smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](C)N(C)C[C@@H]1C ZINC001164643441 719217383 /nfs/dbraw/zinc/21/73/83/719217383.db2.gz YVJKPLLLUMSRBP-MNOVXSKESA-N 0 1 322.365 1.695 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC000968074235 719409838 /nfs/dbraw/zinc/40/98/38/719409838.db2.gz BGXPMXRCIKYDSK-XJFOESAGSA-N 0 1 321.377 1.044 20 5 DDBDMN O=C(N[C@@H]1CCCC12OCCO2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001167389186 733375482 /nfs/dbraw/zinc/37/54/82/733375482.db2.gz QJNWQMJVXFBBAZ-GFCCVEGCSA-N 0 1 308.290 1.326 20 5 DDBDMN CCN(CCNC(=O)c1[nH]ncc1F)c1ccc([N+](=O)[O-])cc1 ZINC001100709651 736253363 /nfs/dbraw/zinc/25/33/63/736253363.db2.gz JXDMNUMXJPWJSW-UHFFFAOYSA-N 0 1 321.312 1.713 20 5 DDBDMN O=C(N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)c1[nH]ncc1F ZINC001059812929 741766455 /nfs/dbraw/zinc/76/64/55/741766455.db2.gz CHUIALULUCRZHW-DTORHVGOSA-N 0 1 319.296 1.830 20 5 DDBDMN CCc1nn(C)c(NCC(C)(C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001117482009 748178513 /nfs/dbraw/zinc/17/85/13/748178513.db2.gz MZLOZQYJVFGMPU-UHFFFAOYSA-N 0 1 324.429 1.329 20 5 DDBDMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC001124937348 748679136 /nfs/dbraw/zinc/67/91/36/748679136.db2.gz UVAKIGIIXNPTKO-UHFFFAOYSA-N 0 1 318.308 1.649 20 5 DDBDMN CC(=O)NCCN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001111309482 750443006 /nfs/dbraw/zinc/44/30/06/750443006.db2.gz OVPHKOIKNQZHPS-UHFFFAOYSA-N 0 1 324.356 1.746 20 5 DDBDMN O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212894166 750930770 /nfs/dbraw/zinc/93/07/70/750930770.db2.gz RSCXKAKJWKVGDV-UHFFFAOYSA-N 0 1 313.277 1.076 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCc2ccccc2)C1 ZINC001042705050 764372557 /nfs/dbraw/zinc/37/25/57/764372557.db2.gz IUUDJUIFJNAWLE-HUUCEWRRSA-N 0 1 303.362 1.037 20 5 DDBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC001146604585 772903511 /nfs/dbraw/zinc/90/35/11/772903511.db2.gz YDSPHIOPZFCBMD-UHFFFAOYSA-N 0 1 323.740 1.658 20 5 DDBDMN CN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)C1=NC(=O)N(C)C1 ZINC001101940135 777705264 /nfs/dbraw/zinc/70/52/64/777705264.db2.gz SITURJYHFILBRP-UHFFFAOYSA-N 0 1 319.321 1.218 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1NC[C@H](C(C)C)N1CCN(C)CC1 ZINC001117243985 780693559 /nfs/dbraw/zinc/69/35/59/780693559.db2.gz NPOXBTOUWCEJDZ-CQSZACIVSA-N 0 1 321.425 1.404 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000360998356 836739809 /nfs/dbraw/zinc/73/98/09/836739809.db2.gz ZXFLPMBOYGCOHJ-JTQLQIEISA-N 0 1 305.342 1.622 20 5 DDBDMN CC/C=C(\C)C(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013266 857998743 /nfs/dbraw/zinc/99/87/43/857998743.db2.gz XQBMVHWPPLYNEV-PUZDAVHHSA-N 0 1 323.393 1.505 20 5 DDBDMN CC(C)N1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494827 864688098 /nfs/dbraw/zinc/68/80/98/864688098.db2.gz RAYDYMCVWBOMJD-JTQLQIEISA-N 0 1 309.326 1.817 20 5 DDBDMN CCN1CCN(C2CN(c3nccc(C)c3[N+](=O)[O-])C2)CC1 ZINC001334439677 867570299 /nfs/dbraw/zinc/57/02/99/867570299.db2.gz MDADJMUDOWGDJJ-UHFFFAOYSA-N 0 1 305.382 1.124 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001165586895 869645084 /nfs/dbraw/zinc/64/50/84/869645084.db2.gz NLBRBAXRGCJWPB-UHFFFAOYSA-N 0 1 311.769 1.811 20 5 DDBDMN CN1CCN(c2cccnc2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203569687 870645634 /nfs/dbraw/zinc/64/56/34/870645634.db2.gz KPIBKGBECYVEHE-UHFFFAOYSA-N 0 1 314.349 1.880 20 5 DDBDMN Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)ccn1 ZINC001306089716 871322361 /nfs/dbraw/zinc/32/23/61/871322361.db2.gz DPURWONRXXVYCS-UHFFFAOYSA-N 0 1 303.322 1.653 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)N(C)C)C1 ZINC001308108816 871471386 /nfs/dbraw/zinc/47/13/86/871471386.db2.gz MKFPHSMQZMAEDC-CYBMUJFWSA-N 0 1 321.377 1.904 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(C)CC2(C)C)n1 ZINC001309812999 871600849 /nfs/dbraw/zinc/60/08/49/871600849.db2.gz YXSLTQQMQHBKDB-LLVKDONJSA-N 0 1 302.356 1.043 20 5 DDBDMN COC[C@H]1CNCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001343176915 872525755 /nfs/dbraw/zinc/52/57/55/872525755.db2.gz AYIFTTWQKKGXRO-SNVBAGLBSA-N 0 1 313.741 1.309 20 5 DDBDMN CC1(CC(=O)N(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)CC1 ZINC001352502587 876777679 /nfs/dbraw/zinc/77/76/79/876777679.db2.gz DIBFPWPMZNBDDB-CHWSQXEVSA-N 0 1 323.393 1.339 20 5 DDBDMN COc1ccc2nc(=O)[nH]c(O[C@@H](C[N+](=O)[O-])C3CC3)c2c1 ZINC001230863050 884984665 /nfs/dbraw/zinc/98/46/65/884984665.db2.gz WDVUSKGCSRMICE-LBPRGKRZSA-N 0 1 305.290 1.778 20 5 DDBDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccnc([N+](=O)[O-])c3)C[C@H]1N2C ZINC001233858967 887397260 /nfs/dbraw/zinc/39/72/60/887397260.db2.gz IZUYNXQVGDWGNJ-DEQVHRJGSA-N 0 1 321.333 1.535 20 5 DDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@H](C1)OCCN2C ZINC001254554550 896499196 /nfs/dbraw/zinc/49/91/96/896499196.db2.gz BOISKXGTLPDPLW-MAZHCROVSA-N 0 1 305.378 1.541 20 5 DDBDMN CC(=O)N[C@H]1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600391 896523683 /nfs/dbraw/zinc/52/36/83/896523683.db2.gz PNCYLLMBLZESCU-HOCLYGCPSA-N 0 1 303.362 1.663 20 5 DDBDMN CC(=O)N1CCC2(CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254598229 896524668 /nfs/dbraw/zinc/52/46/68/896524668.db2.gz XNSCHXBSHQDCPJ-INIZCTEOSA-N 0 1 315.373 1.616 20 5 DDBDMN Cc1cc(C)c(C(=O)NCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001283004635 906448065 /nfs/dbraw/zinc/44/80/65/906448065.db2.gz HNUCKSHVVUZSRY-CHWSQXEVSA-N 0 1 319.361 1.123 20 5 DDBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccoc1C ZINC001283718064 907843877 /nfs/dbraw/zinc/84/38/77/907843877.db2.gz JYWXRGRXGPXHJL-CHWSQXEVSA-N 0 1 323.349 1.222 20 5 DDBDMN CC1(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCCC1 ZINC001284052129 908397809 /nfs/dbraw/zinc/39/78/09/908397809.db2.gz KTSWHGXERZYDBF-FDYHWXHSSA-N 0 1 323.393 1.385 20 5 DDBDMN CC/C(C)=C\C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001286427040 911976549 /nfs/dbraw/zinc/97/65/49/911976549.db2.gz RWTBTCFCDIDAGK-ZFIYEFQRSA-N 0 1 309.366 1.019 20 5 DDBDMN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1ccc(F)cc1 ZINC001296300638 916333539 /nfs/dbraw/zinc/33/35/39/916333539.db2.gz IYBYVGPDRCFEOD-CHWSQXEVSA-N 0 1 323.324 1.069 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447912094 230504340 /nfs/dbraw/zinc/50/43/40/230504340.db2.gz JJFCBEKHCUQREI-AAEUAGOBSA-N 0 1 300.742 1.878 20 5 DDBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H](O)C(C)C ZINC000412757975 529580337 /nfs/dbraw/zinc/58/03/37/529580337.db2.gz UTYVUWNDVJVEGR-FZMZJTMJSA-N 0 1 320.349 1.996 20 5 DDBDMN C[N@H+]1CCC[C@H](CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000458185195 530061003 /nfs/dbraw/zinc/06/10/03/530061003.db2.gz GVMDTZMVKWGGJV-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN C[C@H](NC[C@H]1CS(=O)(=O)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000358305321 299116256 /nfs/dbraw/zinc/11/62/56/299116256.db2.gz ZMYQQZGYDZVZIN-GWCFXTLKSA-N 0 1 314.363 1.059 20 5 DDBDMN CCOC(=O)C[C@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272718948 210126368 /nfs/dbraw/zinc/12/63/68/210126368.db2.gz ZNFHFBWBLWLXQM-VIFPVBQESA-N 0 1 310.306 1.620 20 5 DDBDMN CC(=O)N[C@H](C)C1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000358499023 299174042 /nfs/dbraw/zinc/17/40/42/299174042.db2.gz RKGPBIMCDZBLFG-MRVPVSSYSA-N 0 1 323.353 1.003 20 5 DDBDMN Cc1cnc(N)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000358572676 299201395 /nfs/dbraw/zinc/20/13/95/299201395.db2.gz QNVQPCNITBGSIR-UHFFFAOYSA-N 0 1 322.346 1.990 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1[N+](=O)[O-] ZINC000076001757 353389965 /nfs/dbraw/zinc/38/99/65/353389965.db2.gz NLOGZGFPHYYUIS-VIFPVBQESA-N 0 1 304.310 1.369 20 5 DDBDMN CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000174759666 198380719 /nfs/dbraw/zinc/38/07/19/198380719.db2.gz XHSGUMDFOJSWNV-LLVKDONJSA-N 0 1 322.365 1.499 20 5 DDBDMN COCCN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000080948224 353638541 /nfs/dbraw/zinc/63/85/41/353638541.db2.gz OPDGNUNFSBVAHF-UHFFFAOYSA-N 0 1 324.337 1.662 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663847 353903715 /nfs/dbraw/zinc/90/37/15/353903715.db2.gz KQIWDYHYVODMQI-ZDUSSCGKSA-N 0 1 321.377 1.455 20 5 DDBDMN COc1cc(CN[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1O ZINC000152934337 354195422 /nfs/dbraw/zinc/19/54/22/354195422.db2.gz CSCHJOZRMPERCD-LLVKDONJSA-N 0 1 309.322 1.019 20 5 DDBDMN CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000319913350 354524133 /nfs/dbraw/zinc/52/41/33/354524133.db2.gz IWEKBXFAPAJXPJ-LLVKDONJSA-N 0 1 307.350 1.857 20 5 DDBDMN CCn1cc(S(=O)(=O)N[C@H]2CCCC2(F)F)c([N+](=O)[O-])n1 ZINC000588144615 354904520 /nfs/dbraw/zinc/90/45/20/354904520.db2.gz PGQBZYIFUPQFHB-QMMMGPOBSA-N 0 1 324.309 1.277 20 5 DDBDMN COc1cc(OCc2nc([C@H]3CCCN3)no2)ccc1[N+](=O)[O-] ZINC000592357124 355566101 /nfs/dbraw/zinc/56/61/01/355566101.db2.gz QGZKZZFUNVIDRW-SNVBAGLBSA-N 0 1 320.305 1.990 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](CO)[C@H]2C)c1 ZINC000593036806 355776565 /nfs/dbraw/zinc/77/65/65/355776565.db2.gz UMKDYIOVSVHPBY-DGCLKSJQSA-N 0 1 322.361 1.974 20 5 DDBDMN CN1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000593505593 355906620 /nfs/dbraw/zinc/90/66/20/355906620.db2.gz YAKPZRUQYDEXLS-AWEZNQCLSA-N 0 1 313.361 1.748 20 5 DDBDMN C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000593578990 355932750 /nfs/dbraw/zinc/93/27/50/355932750.db2.gz RQBUIIFUODOSOX-MNOVXSKESA-N 0 1 309.341 1.827 20 5 DDBDMN COC(=O)[C@@H](CCF)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593799612 356000608 /nfs/dbraw/zinc/00/06/08/356000608.db2.gz KWNLCMQGZQWYHM-SNVBAGLBSA-N 0 1 324.268 1.102 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](OC2CCC2)C1 ZINC000594026163 356093106 /nfs/dbraw/zinc/09/31/06/356093106.db2.gz DWROADFVBNQBCV-OAHLLOKOSA-N 0 1 321.377 1.790 20 5 DDBDMN C[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)N1CC(C)C1 ZINC000594337498 356175818 /nfs/dbraw/zinc/17/58/18/356175818.db2.gz WHYZASBFLFJIID-GFCCVEGCSA-N 0 1 303.362 1.820 20 5 DDBDMN O=[N+]([O-])c1ccc(CNCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000594510572 356240545 /nfs/dbraw/zinc/24/05/45/356240545.db2.gz MXPBFPJWPIQKLH-GFCCVEGCSA-N 0 1 303.322 1.854 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000594734079 356300968 /nfs/dbraw/zinc/30/09/68/356300968.db2.gz NYBYKJBVAAETAM-MCIONIFRSA-N 0 1 322.365 1.757 20 5 DDBDMN CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594792731 356318232 /nfs/dbraw/zinc/31/82/32/356318232.db2.gz AWIVHHJBNPWENX-MWLCHTKSSA-N 0 1 315.351 1.226 20 5 DDBDMN CC(=O)N1C[C@@H]2CCC[C@H](NCc3onc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000595489274 356514236 /nfs/dbraw/zinc/51/42/36/356514236.db2.gz LQCWKDHTAMQVLL-AVGNSLFASA-N 0 1 322.365 1.628 20 5 DDBDMN CC(=O)N1C[C@@H]2CCC[C@H](NCc3onc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000595489276 356514587 /nfs/dbraw/zinc/51/45/87/356514587.db2.gz LQCWKDHTAMQVLL-XQQFMLRXSA-N 0 1 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CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000578239133 422531041 /nfs/dbraw/zinc/53/10/41/422531041.db2.gz UGACXUIVDIHJTA-ZYHUDNBSSA-N 0 1 322.365 1.912 20 5 DDBDMN C[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000578893593 422670880 /nfs/dbraw/zinc/67/08/80/422670880.db2.gz FZNSROZRFCCFJD-NSHDSACASA-N 0 1 323.349 1.673 20 5 DDBDMN C[C@@H]1CNCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000124686509 263340503 /nfs/dbraw/zinc/34/05/03/263340503.db2.gz MPRGGSROWVRNAE-SNVBAGLBSA-N 0 1 304.350 1.603 20 5 DDBDMN CCN1CCN([C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000302794258 276198525 /nfs/dbraw/zinc/19/85/25/276198525.db2.gz IHHXJHDQZLOXJI-CQSZACIVSA-N 0 1 322.384 1.950 20 5 DDBDMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456386965 288283895 /nfs/dbraw/zinc/28/38/95/288283895.db2.gz RZBABBRMQWIKFL-NSHDSACASA-N 0 1 307.350 1.857 20 5 DDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CCNCC1 ZINC000261962720 290250783 /nfs/dbraw/zinc/25/07/83/290250783.db2.gz OYWIQDUKAZAURI-GFCCVEGCSA-N 0 1 306.366 1.019 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363439881 300267889 /nfs/dbraw/zinc/26/78/89/300267889.db2.gz OQXXLTKQQNAXAS-JTQLQIEISA-N 0 1 306.322 1.006 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363439881 300267891 /nfs/dbraw/zinc/26/78/91/300267891.db2.gz OQXXLTKQQNAXAS-JTQLQIEISA-N 0 1 306.322 1.006 20 5 DDBDMN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)c(C)c1 ZINC000363651746 300293021 /nfs/dbraw/zinc/29/30/21/300293021.db2.gz OIHOASOUXGESBE-ILXRZTDVSA-N 0 1 304.346 1.869 20 5 DDBDMN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCOC2)O1 ZINC000369868898 301231947 /nfs/dbraw/zinc/23/19/47/301231947.db2.gz VTDUJVHWLSUALY-CQSZACIVSA-N 0 1 310.354 1.061 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3ccncn3)C2)c1 ZINC000370002080 301256150 /nfs/dbraw/zinc/25/61/50/301256150.db2.gz MNOPGTLXBIGEPM-LBPRGKRZSA-N 0 1 302.338 1.461 20 5 DDBDMN CC(C)(C)CC(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000370766441 301389127 /nfs/dbraw/zinc/38/91/27/301389127.db2.gz JHQAPXYZXRDRNF-ZDEQEGDKSA-N 0 1 323.393 1.147 20 5 DDBDMN Nc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2C[C@@H]2c2nc[nH]n2)n1 ZINC000377450773 302181127 /nfs/dbraw/zinc/18/11/27/302181127.db2.gz YYZFBUGEXRIMOL-YUMQZZPRSA-N 0 1 313.277 1.616 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000378361898 302317326 /nfs/dbraw/zinc/31/73/26/302317326.db2.gz PVOBSWPALYLHMW-IPYPFGDCSA-N 0 1 324.764 1.511 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000378648248 302349053 /nfs/dbraw/zinc/34/90/53/302349053.db2.gz SCXRKBYWRFSEHP-NDBYEHHHSA-N 0 1 304.302 1.169 20 5 DDBDMN COC(=O)[C@H](C)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356194966 306842402 /nfs/dbraw/zinc/84/24/02/306842402.db2.gz COKPGAYHVOQMPG-SECBINFHSA-N 0 1 322.317 1.714 20 5 DDBDMN O=C1CC2(CN1)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000367266767 307090726 /nfs/dbraw/zinc/09/07/26/307090726.db2.gz JOHRQQVKQXRBHH-UHFFFAOYSA-N 0 1 307.325 1.836 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(N)=O)C1 ZINC000367377994 307092446 /nfs/dbraw/zinc/09/24/46/307092446.db2.gz NVERFTSOIPHBAB-MNOVXSKESA-N 0 1 320.349 1.119 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374540570 307209654 /nfs/dbraw/zinc/20/96/54/307209654.db2.gz FXTKCAPBSKATHW-GFCCVEGCSA-N 0 1 317.349 1.971 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374540570 307209655 /nfs/dbraw/zinc/20/96/55/307209655.db2.gz FXTKCAPBSKATHW-GFCCVEGCSA-N 0 1 317.349 1.971 20 5 DDBDMN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000377103214 307262971 /nfs/dbraw/zinc/26/29/71/307262971.db2.gz ZZGTWWVWTBBCML-KSBSHMNSSA-N 0 1 306.253 1.709 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000377993406 307280343 /nfs/dbraw/zinc/28/03/43/307280343.db2.gz MVYBNBCVGSXJKM-VIFPVBQESA-N 0 1 319.296 1.872 20 5 DDBDMN CC(C)CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572694779 308222147 /nfs/dbraw/zinc/22/21/47/308222147.db2.gz MPUNBIWMQJLNCA-HNNXBMFYSA-N 0 1 322.409 1.909 20 5 DDBDMN CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000576253291 308301161 /nfs/dbraw/zinc/30/11/61/308301161.db2.gz KLTLSBLXMGDHNG-LBPRGKRZSA-N 0 1 322.365 1.642 20 5 DDBDMN CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000576253291 308301163 /nfs/dbraw/zinc/30/11/63/308301163.db2.gz KLTLSBLXMGDHNG-LBPRGKRZSA-N 0 1 322.365 1.642 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H]2COc3ccc(F)cc32)c1 ZINC000579825430 308559512 /nfs/dbraw/zinc/55/95/12/308559512.db2.gz XLDYIHQNTMADPW-AAEUAGOBSA-N 0 1 322.296 1.015 20 5 DDBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]1(C)CO ZINC000595874489 490372218 /nfs/dbraw/zinc/37/22/18/490372218.db2.gz PCNNODFNRQTKFK-BDJLRTHQSA-N 0 1 322.361 1.912 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H](O)C1 ZINC000295010531 534654199 /nfs/dbraw/zinc/65/41/99/534654199.db2.gz CQDBRORXIHHGHK-NSHDSACASA-N 0 1 302.290 1.192 20 5 DDBDMN CC(C)(C)c1nc(CNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000458046036 526844808 /nfs/dbraw/zinc/84/48/08/526844808.db2.gz WHTDPIOXKCYHHQ-UHFFFAOYSA-N 0 1 303.322 1.940 20 5 DDBDMN CC(C)CNC(=O)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100969 528046484 /nfs/dbraw/zinc/04/64/84/528046484.db2.gz ZSRKCKREQUOJSM-NSHDSACASA-N 0 1 322.365 1.727 20 5 DDBDMN CC(C)c1nc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000452419712 528251814 /nfs/dbraw/zinc/25/18/14/528251814.db2.gz QEUGAEXGMHRYRG-UHFFFAOYSA-N 0 1 322.300 1.488 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(=O)[O-])C1CC1 ZINC000832905400 601580187 /nfs/dbraw/zinc/58/01/87/601580187.db2.gz IEXVILATYWUGDW-UHFFFAOYSA-N 0 1 321.333 1.781 20 5 DDBDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000825264990 604215369 /nfs/dbraw/zinc/21/53/69/604215369.db2.gz PJVBTZVWGYGNNZ-MNOVXSKESA-N 0 1 311.342 1.159 20 5 DDBDMN COCC[N@H+]1CCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833724763 605183205 /nfs/dbraw/zinc/18/32/05/605183205.db2.gz QUQIJAXYBOZLKX-LBPRGKRZSA-N 0 1 323.349 1.816 20 5 DDBDMN O=C([O-])N1CC[C@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000834080071 605330921 /nfs/dbraw/zinc/33/09/21/605330921.db2.gz ZWUNNMCCNJGQJA-LLVKDONJSA-N 0 1 305.334 1.953 20 5 DDBDMN O=C([O-])NC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834222317 606028378 /nfs/dbraw/zinc/02/83/78/606028378.db2.gz ZQCYNUUBYOHJHQ-KBPBESRZSA-N 0 1 323.349 1.750 20 5 DDBDMN COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CN(C)CCN2C)c1 ZINC000747218015 700060443 /nfs/dbraw/zinc/06/04/43/700060443.db2.gz OPLASIBCCBYSDK-JTQLQIEISA-N 0 1 312.345 1.400 20 5 DDBDMN CC(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1CCCC1 ZINC000748129139 700101403 /nfs/dbraw/zinc/10/14/03/700101403.db2.gz OLOKWWGNVASYSC-ZDUSSCGKSA-N 0 1 310.354 1.455 20 5 DDBDMN CCCC[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000125005495 696748177 /nfs/dbraw/zinc/74/81/77/696748177.db2.gz NSFMBXXDJKAUQC-VIFPVBQESA-N 0 1 319.358 1.530 20 5 DDBDMN Cc1c(C(=O)N[C@@H](C)c2nnc[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748380157 700115348 /nfs/dbraw/zinc/11/53/48/700115348.db2.gz XOOLVDZOHPALGI-ZETCQYMHSA-N 0 1 320.265 1.421 20 5 DDBDMN COc1cncc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000799121070 700119789 /nfs/dbraw/zinc/11/97/89/700119789.db2.gz ZCYWKMXTYKVBIG-UHFFFAOYSA-N 0 1 324.318 1.381 20 5 DDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000178922011 697431152 /nfs/dbraw/zinc/43/11/52/697431152.db2.gz NZVRAEVGTNQAQR-VIFPVBQESA-N 0 1 319.770 1.279 20 5 DDBDMN C[C@H](NCC(=O)N1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442029 697448836 /nfs/dbraw/zinc/44/88/36/697448836.db2.gz DXPITZARENTOPK-NEPJUHHUSA-N 0 1 307.350 1.493 20 5 DDBDMN CCNS(=O)(=O)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000222019971 697756499 /nfs/dbraw/zinc/75/64/99/697756499.db2.gz LPBWVYIFGDDSHH-CYBMUJFWSA-N 0 1 315.395 1.575 20 5 DDBDMN CCOCCN(CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952107 700194018 /nfs/dbraw/zinc/19/40/18/700194018.db2.gz SYVGGTKMJUFXFA-UHFFFAOYSA-N 0 1 307.354 1.964 20 5 DDBDMN Cn1ccnc1[C@@H](N[C@H]1CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764752 698558369 /nfs/dbraw/zinc/55/83/69/698558369.db2.gz PVXHBMAJFBIZAR-ZFWWWQNUSA-N 0 1 315.377 1.711 20 5 DDBDMN Cn1ccnc1[C@H](N[C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765199 698558553 /nfs/dbraw/zinc/55/85/53/698558553.db2.gz WYDDVCKNDXLRGL-DZGCQCFKSA-N 0 1 315.377 1.711 20 5 DDBDMN O=C1NC2(CO1)CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000784455204 698939959 /nfs/dbraw/zinc/93/99/59/698939959.db2.gz WKSMRHMRWFLYEY-ZDUSSCGKSA-N 0 1 321.333 1.203 20 5 DDBDMN CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000727486864 699413291 /nfs/dbraw/zinc/41/32/91/699413291.db2.gz SCYLAMZYNCMTQK-UHFFFAOYSA-N 0 1 324.278 1.595 20 5 DDBDMN CN(CC1CCN(CC[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000791053006 699608822 /nfs/dbraw/zinc/60/88/22/699608822.db2.gz RPGRINKQOQTUHP-UHFFFAOYSA-N 0 1 301.387 1.842 20 5 DDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000801840422 700344738 /nfs/dbraw/zinc/34/47/38/700344738.db2.gz MSQAANSBTJCDLO-QMMMGPOBSA-N 0 1 308.313 1.283 20 5 DDBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2OC)n[nH]1 ZINC000754753705 700524695 /nfs/dbraw/zinc/52/46/95/700524695.db2.gz VFBSJSFTLFXARZ-UHFFFAOYSA-N 0 1 306.278 1.641 20 5 DDBDMN O=C(NC[C@@H]1COc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000763433787 700937983 /nfs/dbraw/zinc/93/79/83/700937983.db2.gz ZJIDUGYHTBYRHK-SECBINFHSA-N 0 1 302.290 1.299 20 5 DDBDMN O=C(CCc1nc[nH]n1)OCCOc1ccccc1[N+](=O)[O-] ZINC000764003938 700957553 /nfs/dbraw/zinc/95/75/53/700957553.db2.gz GSAXLBRKKRAKPK-UHFFFAOYSA-N 0 1 306.278 1.268 20 5 DDBDMN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCc1nc[nH]n1 ZINC000771177965 701312269 /nfs/dbraw/zinc/31/22/69/701312269.db2.gz XJXKFYSITIBHMU-UHFFFAOYSA-N 0 1 316.321 1.260 20 5 DDBDMN CCOc1cc(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OC ZINC000839685756 701783245 /nfs/dbraw/zinc/78/32/45/701783245.db2.gz HYJAOXHZLLUYCO-CHWSQXEVSA-N 0 1 322.361 1.808 20 5 DDBDMN COc1ccccc1[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC(C)C ZINC000839728526 701799814 /nfs/dbraw/zinc/79/98/14/701799814.db2.gz PCKGVLLLULCDJK-NFAWXSAZSA-N 0 1 322.361 1.943 20 5 DDBDMN O=C(NCc1nc2ccccc2n1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839727143 701800018 /nfs/dbraw/zinc/80/00/18/701800018.db2.gz WKRMFKUDDYOQQD-ZWNOBZJWSA-N 0 1 300.318 1.653 20 5 DDBDMN O=C(NCCc1cc(C(F)(F)F)ccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839779206 701824229 /nfs/dbraw/zinc/82/42/29/701824229.db2.gz VVWNQPAKBOHRRF-NXEZZACHSA-N 0 1 303.240 1.424 20 5 DDBDMN O=C(C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000840381015 702091372 /nfs/dbraw/zinc/09/13/72/702091372.db2.gz BIDWOKZQEPBFFQ-GMTAPVOTSA-N 0 1 308.359 1.977 20 5 DDBDMN COC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000840671583 702194821 /nfs/dbraw/zinc/19/48/21/702194821.db2.gz XQMBHSUSCCMYLC-MXWKQRLJSA-N 0 1 313.693 1.763 20 5 DDBDMN CC(C)(C(=O)OCc1cc(C2CC2)[nH]n1)n1cc([N+](=O)[O-])cn1 ZINC000848014393 703494721 /nfs/dbraw/zinc/49/47/21/703494721.db2.gz TUKYKJGJOJRYNG-UHFFFAOYSA-N 0 1 319.321 1.870 20 5 DDBDMN C[C@@H](C(=O)[O-])[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000851708196 703833894 /nfs/dbraw/zinc/83/38/94/703833894.db2.gz SWIPRCAWSINOAP-IINYFYTJSA-N 0 1 308.334 1.956 20 5 DDBDMN Cc1cc2c(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])c[nH]c2cc1F ZINC000871160845 704235098 /nfs/dbraw/zinc/23/50/98/704235098.db2.gz YSQXRZHYXJMBNA-BXUZGUMPSA-N 0 1 305.309 1.939 20 5 DDBDMN COCc1nc(CNc2ccc([N+](=O)[O-])c3nonc32)n[nH]1 ZINC000853809019 704319378 /nfs/dbraw/zinc/31/93/78/704319378.db2.gz KYMFMYCFQQUXAD-UHFFFAOYSA-N 0 1 305.254 1.008 20 5 DDBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])c3nonc32)[nH]1 ZINC000853809019 704319381 /nfs/dbraw/zinc/31/93/81/704319381.db2.gz KYMFMYCFQQUXAD-UHFFFAOYSA-N 0 1 305.254 1.008 20 5 DDBDMN O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000855202528 704472784 /nfs/dbraw/zinc/47/27/84/704472784.db2.gz VYMJGRNRYPNEKW-MISXGVKJSA-N 0 1 323.780 1.948 20 5 DDBDMN CCN1CCN(CC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000825648604 705708660 /nfs/dbraw/zinc/70/86/60/705708660.db2.gz VKKFYUXAEMFVGB-UHFFFAOYSA-N 0 1 320.393 1.157 20 5 DDBDMN CN(C(=O)CN1CC[C@H](C(C)(C)O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000880144505 706891261 /nfs/dbraw/zinc/89/12/61/706891261.db2.gz GLKQVKCTLZBGTF-LBPRGKRZSA-N 0 1 321.377 1.650 20 5 DDBDMN CC(C)[C@H](CO)ONC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000836889011 707539058 /nfs/dbraw/zinc/53/90/58/707539058.db2.gz BAXAPTFPCHRLRI-RNCFNFMXSA-N 0 1 314.313 1.902 20 5 DDBDMN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CC[C@H]1C2 ZINC000882409596 707627185 /nfs/dbraw/zinc/62/71/85/707627185.db2.gz QZPSDNZAHSPUOM-ZDUSSCGKSA-N 0 1 316.361 1.381 20 5 DDBDMN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCN2CC[C@H]1C2 ZINC000882409596 707627190 /nfs/dbraw/zinc/62/71/90/707627190.db2.gz QZPSDNZAHSPUOM-ZDUSSCGKSA-N 0 1 316.361 1.381 20 5 DDBDMN Cc1c(CNC[C@H]2CN(C3CC3)C(=O)O2)cccc1[N+](=O)[O-] ZINC000873132866 707743864 /nfs/dbraw/zinc/74/38/64/707743864.db2.gz IPQPSJOHPAPYPQ-ZDUSSCGKSA-N 0 1 305.334 1.976 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578125 708780372 /nfs/dbraw/zinc/78/03/72/708780372.db2.gz KUSVPNXLTQARLO-AZHAFVHUSA-N 0 1 319.361 1.625 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000888009853 709191168 /nfs/dbraw/zinc/19/11/68/709191168.db2.gz MEZLOZRYNVXJJJ-LURJTMIESA-N 0 1 306.244 1.905 20 5 DDBDMN CC(C)[N@H+]1CC[C@H](N(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000910372616 709912835 /nfs/dbraw/zinc/91/28/35/709912835.db2.gz LNHALNMWBWFMJL-JTQLQIEISA-N 0 1 308.338 1.607 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000901930065 710177375 /nfs/dbraw/zinc/17/73/75/710177375.db2.gz FDCIHLAQHXZRSJ-YGRLFVJLSA-N 0 1 308.334 1.886 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000901930065 710177379 /nfs/dbraw/zinc/17/73/79/710177379.db2.gz FDCIHLAQHXZRSJ-YGRLFVJLSA-N 0 1 308.334 1.886 20 5 DDBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cnc1Br ZINC000922802509 714152222 /nfs/dbraw/zinc/15/22/22/714152222.db2.gz MTLVSPLKMYIQQE-RKDXNWHRSA-N 0 1 315.123 1.861 20 5 DDBDMN C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@@]2(C)C1 ZINC000913286004 713191713 /nfs/dbraw/zinc/19/17/13/713191713.db2.gz XRUONCBHGZOBSO-IYBDPMFKSA-N 0 1 319.361 1.714 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000911772104 710976196 /nfs/dbraw/zinc/97/61/96/710976196.db2.gz FJCQOWZIOMGWGT-JHJVBQTASA-N 0 1 318.308 1.762 20 5 DDBDMN Cc1n[nH]c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000894580225 711191340 /nfs/dbraw/zinc/19/13/40/711191340.db2.gz RDIRKPFZLJHKNR-UHFFFAOYSA-N 0 1 304.354 1.968 20 5 DDBDMN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2c(n1)CNCC2 ZINC000912262068 711250522 /nfs/dbraw/zinc/25/05/22/711250522.db2.gz NRFVYHHZYIZBGF-UHFFFAOYSA-N 0 1 312.329 1.566 20 5 DDBDMN CN1C[C@H]2CC[C@@H](C1)N2c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000894878159 711305414 /nfs/dbraw/zinc/30/54/14/711305414.db2.gz FRQHMAZEKJTKHM-TXEJJXNPSA-N 0 1 316.361 1.762 20 5 DDBDMN C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895797507 711609002 /nfs/dbraw/zinc/60/90/02/711609002.db2.gz HUVXXTIACGQUTG-KCJUWKMLSA-N 0 1 318.782 1.771 20 5 DDBDMN COCCOCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000905019866 711911042 /nfs/dbraw/zinc/91/10/42/711911042.db2.gz MRRYJLQPZPGOFK-UHFFFAOYSA-N 0 1 307.306 1.659 20 5 DDBDMN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNCC[N+](=O)[O-] ZINC000905119846 711942316 /nfs/dbraw/zinc/94/23/16/711942316.db2.gz PCKJSVMTIDBJKK-MNOVXSKESA-N 0 1 317.386 1.613 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908572960 712810797 /nfs/dbraw/zinc/81/07/97/712810797.db2.gz JISCHBWJQOURHU-UHFFFAOYSA-N 0 1 321.381 1.419 20 5 DDBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930032436 713739916 /nfs/dbraw/zinc/73/99/16/713739916.db2.gz QMTPTTGFHXABAF-NEPJUHHUSA-N 0 1 301.387 1.888 20 5 DDBDMN CC[N@@H+](CCC(=O)NC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000933865645 714686636 /nfs/dbraw/zinc/68/66/36/714686636.db2.gz ZCFHUBWIXKKIPC-UHFFFAOYSA-N 0 1 322.365 1.016 20 5 DDBDMN CCN(CCC(=O)NC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000933865645 714686638 /nfs/dbraw/zinc/68/66/38/714686638.db2.gz ZCFHUBWIXKKIPC-UHFFFAOYSA-N 0 1 322.365 1.016 20 5 DDBDMN O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C2OCCO2)cc1 ZINC000933909594 714699610 /nfs/dbraw/zinc/69/96/10/714699610.db2.gz OESCOGGFRRBDJX-CQSZACIVSA-N 0 1 308.334 1.811 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C2OCCO2)cc1 ZINC000933909594 714699612 /nfs/dbraw/zinc/69/96/12/714699612.db2.gz OESCOGGFRRBDJX-CQSZACIVSA-N 0 1 308.334 1.811 20 5 DDBDMN Cc1nc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164966232 722067370 /nfs/dbraw/zinc/06/73/70/722067370.db2.gz ZRVKGYWBPFMPBE-OKILXGFUSA-N 0 1 318.377 1.598 20 5 DDBDMN O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1[nH]ncc1F ZINC001059813131 741765448 /nfs/dbraw/zinc/76/54/48/741765448.db2.gz MFRJPXLFSQRBKP-OCAPTIKFSA-N 0 1 320.284 1.225 20 5 DDBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2ccn[nH]2)s1 ZINC001187496690 744572609 /nfs/dbraw/zinc/57/26/09/744572609.db2.gz IWUCLZWVBRJXNX-UHFFFAOYSA-N 0 1 316.364 1.438 20 5 DDBDMN CCN(CCNc1ncccc1[N+](=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001106712337 745949377 /nfs/dbraw/zinc/94/93/77/745949377.db2.gz OLMAJIFOTKZSQI-UHFFFAOYSA-N 0 1 318.337 1.216 20 5 DDBDMN O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1)c1ncn[nH]1 ZINC001107286690 749738488 /nfs/dbraw/zinc/73/84/88/749738488.db2.gz AHXNNXRFJHWQIS-UPHRSURJSA-N 0 1 302.294 1.111 20 5 DDBDMN O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1)c1nc[nH]n1 ZINC001107286690 749738490 /nfs/dbraw/zinc/73/84/90/749738490.db2.gz AHXNNXRFJHWQIS-UPHRSURJSA-N 0 1 302.294 1.111 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCC=CCNC(=O)c2ncn[nH]2)c1 ZINC001107288189 749741546 /nfs/dbraw/zinc/74/15/46/749741546.db2.gz HSIKNEXACFAICU-NSCUHMNNSA-N 0 1 316.321 1.419 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCC=CCNC(=O)c2nc[nH]n2)c1 ZINC001107288189 749741551 /nfs/dbraw/zinc/74/15/51/749741551.db2.gz HSIKNEXACFAICU-NSCUHMNNSA-N 0 1 316.321 1.419 20 5 DDBDMN O=C(Cc1cnc[nH]1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107538960 750111178 /nfs/dbraw/zinc/11/11/78/750111178.db2.gz AXDLQHLXIHUDJI-UPHRSURJSA-N 0 1 316.321 1.040 20 5 DDBDMN CC1(C(=O)NCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)CCCC1 ZINC001063773400 754338996 /nfs/dbraw/zinc/33/89/96/754338996.db2.gz VBCRSXJXRYMNHV-VXGBXAGGSA-N 0 1 323.393 1.387 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000828586182 759683084 /nfs/dbraw/zinc/68/30/84/759683084.db2.gz NLFFPBGNVOKMKP-KBUPBQIOSA-N 0 1 304.346 1.766 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)C2CCCC2)C1 ZINC001019918227 760334646 /nfs/dbraw/zinc/33/46/46/760334646.db2.gz MENPGLBTDKUHAP-HAQNSBGRSA-N 0 1 321.381 1.255 20 5 DDBDMN CN(CCCN(C)C(=O)C1(C2CC2)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389929 763786560 /nfs/dbraw/zinc/78/65/60/763786560.db2.gz VXXZLDRYESDGHW-CHWSQXEVSA-N 0 1 323.393 1.149 20 5 DDBDMN C=C/C(C)=C\CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067391808 763860204 /nfs/dbraw/zinc/86/02/04/763860204.db2.gz GEXMZTDNPXVTQE-PISUUVGWSA-N 0 1 323.393 1.481 20 5 DDBDMN CCOC(=O)C1C[NH2+]CCC1=Nc1cc([N+](=O)[O-])c(C)cn1 ZINC001170516796 767748274 /nfs/dbraw/zinc/74/82/74/767748274.db2.gz GPCNQYIHVCGPAF-UHFFFAOYSA-N 0 1 306.322 1.521 20 5 DDBDMN Cc1cc(NCCNC(=O)c2[nH]ncc2F)ccc1[N+](=O)[O-] ZINC001094103993 775479621 /nfs/dbraw/zinc/47/96/21/775479621.db2.gz UEYRLIFMJGGHAY-UHFFFAOYSA-N 0 1 307.285 1.607 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC3(C1)CS(=O)C3)CC2 ZINC001172903231 776915986 /nfs/dbraw/zinc/91/59/86/776915986.db2.gz FQHDVXUFMACQKD-CQSZACIVSA-N 0 1 320.414 1.907 20 5 DDBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001173234406 777064915 /nfs/dbraw/zinc/06/49/15/777064915.db2.gz RCAZYNUBEFAXDT-SWLSCSKDSA-N 0 1 303.362 1.832 20 5 DDBDMN Cc1ncc(C(=O)N(C)CCNc2ccccc2[N+](=O)[O-])[nH]1 ZINC001101530988 777217881 /nfs/dbraw/zinc/21/78/81/777217881.db2.gz OAMFDALAYJKQCB-UHFFFAOYSA-N 0 1 303.322 1.810 20 5 DDBDMN CCc1ccc(C(=O)N[C@H](CO)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC001174949766 777646313 /nfs/dbraw/zinc/64/63/13/777646313.db2.gz KOESCUQESOZBLU-ZDUSSCGKSA-N 0 1 318.333 1.214 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncccn2)c1[N+](=O)[O-] ZINC001176786890 778239336 /nfs/dbraw/zinc/23/93/36/778239336.db2.gz YYIAXXZZZAULPP-SNVBAGLBSA-N 0 1 316.321 1.784 20 5 DDBDMN Cc1ccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c(N)c1[N+](=O)[O-] ZINC001179879002 779534557 /nfs/dbraw/zinc/53/45/57/779534557.db2.gz HMHJXTCAJJEVQZ-MRVPVSSYSA-N 0 1 316.321 1.662 20 5 DDBDMN CCc1nc([C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC001118393661 781113224 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CCOc1cccc(NCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000273820768 211088014 /nfs/dbraw/zinc/08/80/14/211088014.db2.gz CQTXDGRLDUDGCS-UHFFFAOYSA-N 0 1 308.382 1.653 20 5 DDBDMN CC[C@H]1CN(C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000567435193 304218668 /nfs/dbraw/zinc/21/86/68/304218668.db2.gz JPFVJIOMRYWUKH-ZDUSSCGKSA-N 0 1 320.393 1.584 20 5 DDBDMN CC[N@H+]1CCCC[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579597776 422798512 /nfs/dbraw/zinc/79/85/12/422798512.db2.gz DQUITLWCRHEBLB-SNVBAGLBSA-N 0 1 308.338 1.974 20 5 DDBDMN C[C@@H]1COCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294445370 224032713 /nfs/dbraw/zinc/03/27/13/224032713.db2.gz RESQFPUDRZMREL-SNVBAGLBSA-N 0 1 316.317 1.846 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000444177172 532985048 /nfs/dbraw/zinc/98/50/48/532985048.db2.gz SUPXTHZWJJHNNE-NSHDSACASA-N 0 1 323.349 1.054 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000352479101 285080434 /nfs/dbraw/zinc/08/04/34/285080434.db2.gz 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CN(C)C(=O)[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209206 407240607 /nfs/dbraw/zinc/24/06/07/407240607.db2.gz JHCUTBVBEODPNV-AWEZNQCLSA-N 0 1 307.350 1.526 20 5 DDBDMN COC(=O)[C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000101887000 407316768 /nfs/dbraw/zinc/31/67/68/407316768.db2.gz GQRVFDVKOBWZIQ-SSDOTTSWSA-N 0 1 306.278 1.010 20 5 DDBDMN C[C@@H]1CNCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124772788 407369216 /nfs/dbraw/zinc/36/92/16/407369216.db2.gz CNXUEESPWXVGSX-LLVKDONJSA-N 0 1 315.333 1.214 20 5 DDBDMN C[C@H](C[S@@](C)=O)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126469573 407413864 /nfs/dbraw/zinc/41/38/64/407413864.db2.gz LLGLWCJQYKMWLV-GIPWTMENSA-N 0 1 300.380 1.672 20 5 DDBDMN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000127915725 407478814 /nfs/dbraw/zinc/47/88/14/407478814.db2.gz DMVIHVFDNNADGT-PWSUYJOCSA-N 0 1 306.366 1.732 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000271432135 407683716 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C[C@@H](C(=O)N[C@@H](C)c1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000182938185 408287915 /nfs/dbraw/zinc/28/79/15/408287915.db2.gz SQWFMYYYYIHRGE-SFYZADRCSA-N 0 1 307.285 1.833 20 5 DDBDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000176309216 408336778 /nfs/dbraw/zinc/33/67/78/408336778.db2.gz GRKKVCUEICRVSP-OLZOCXBDSA-N 0 1 319.361 1.999 20 5 DDBDMN C[C@@H](O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202337 408352488 /nfs/dbraw/zinc/35/24/88/408352488.db2.gz UVHSEDUHHAFEIX-GHMZBOCLSA-N 0 1 308.334 1.664 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000269601111 408355776 /nfs/dbraw/zinc/35/57/76/408355776.db2.gz LAJXGRCMKSCTSW-MUWHJKNJSA-N 0 1 322.243 1.154 20 5 DDBDMN O=C(CCCCc1cn[nH]n1)NCCc1ccccc1[N+](=O)[O-] ZINC000274390193 408387783 /nfs/dbraw/zinc/38/77/83/408387783.db2.gz PCVRWHBSHNBSSN-UHFFFAOYSA-N 0 1 317.349 1.785 20 5 DDBDMN CC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)OCCCO1 ZINC000191106309 408372171 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O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000270619768 408606940 /nfs/dbraw/zinc/60/69/40/408606940.db2.gz RGNMKUUFYGAAKQ-LBPRGKRZSA-N 0 1 315.333 1.322 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC000265665727 408739314 /nfs/dbraw/zinc/73/93/14/408739314.db2.gz FZDIZMFSHXBOSO-MRVPVSSYSA-N 0 1 306.282 1.377 20 5 DDBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc[nH]1 ZINC000184706852 162901054 /nfs/dbraw/zinc/90/10/54/162901054.db2.gz WNJBRMMWKZFCGH-NSHDSACASA-N 0 1 303.322 1.598 20 5 DDBDMN C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000285857039 408877744 /nfs/dbraw/zinc/87/77/44/408877744.db2.gz IJSILTPKOHRNOT-CZUORRHYSA-N 0 1 305.378 1.890 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC000285672494 408839999 /nfs/dbraw/zinc/83/99/99/408839999.db2.gz IQXCQYWYSPOEPJ-UHFFFAOYSA-N 0 1 308.338 1.659 20 5 DDBDMN Cc1cc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285780980 408863486 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O=[N+]([O-])c1cc(CNC[C@H]2CCCS(=O)(=O)C2)cs1 ZINC000290190880 409316590 /nfs/dbraw/zinc/31/65/90/409316590.db2.gz SXEAIEYCMYKGMJ-SECBINFHSA-N 0 1 304.393 1.571 20 5 DDBDMN CCOc1cccc(N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284995673 409391010 /nfs/dbraw/zinc/39/10/10/409391010.db2.gz LREHYTSGIHXJDQ-ZIAGYGMSSA-N 0 1 321.377 1.903 20 5 DDBDMN CC(C)(CC(N)=O)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186225922 306717568 /nfs/dbraw/zinc/71/75/68/306717568.db2.gz DIOLPQGJWQEQEX-UHFFFAOYSA-N 0 1 318.333 1.993 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[C@H]1C ZINC000354006981 409595064 /nfs/dbraw/zinc/59/50/64/409595064.db2.gz OFCRSYDGTFOLIU-LLVKDONJSA-N 0 1 307.350 1.770 20 5 DDBDMN CCc1ccc(C(=O)NCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000296856290 409670890 /nfs/dbraw/zinc/67/08/90/409670890.db2.gz HWWKYSXBBFARFZ-UHFFFAOYSA-N 0 1 321.377 1.344 20 5 DDBDMN COc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000331595777 409676000 /nfs/dbraw/zinc/67/60/00/409676000.db2.gz 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/nfs/dbraw/zinc/12/29/79/210122979.db2.gz YSWMUQVSJOPMJN-MRVPVSSYSA-N 0 1 303.322 1.570 20 5 DDBDMN COC(=O)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820449 199356866 /nfs/dbraw/zinc/35/68/66/199356866.db2.gz OAROOISJPPVARA-WDEREUQCSA-N 0 1 323.349 1.232 20 5 DDBDMN CCC1(CO)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272686304 210089876 /nfs/dbraw/zinc/08/98/76/210089876.db2.gz PGFPPYIMIORNPH-UHFFFAOYSA-N 0 1 308.334 1.925 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272659318 210063969 /nfs/dbraw/zinc/06/39/69/210063969.db2.gz HCOPAJYLOCJWAQ-NHYWBVRUSA-N 0 1 319.361 1.857 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000279853648 186509299 /nfs/dbraw/zinc/50/92/99/186509299.db2.gz GAPWKSRZMPEIPW-JOYOIKCWSA-N 0 1 322.365 1.910 20 5 DDBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000011522726 352144545 /nfs/dbraw/zinc/14/45/45/352144545.db2.gz MFMNSYSOULIFCZ-UHFFFAOYSA-N 0 1 316.361 1.911 20 5 DDBDMN CC(=O)c1cc(N[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000287238671 219398531 /nfs/dbraw/zinc/39/85/31/219398531.db2.gz JKLLWFZKQONOAA-GFCCVEGCSA-N 0 1 320.393 1.845 20 5 DDBDMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000032267688 352276488 /nfs/dbraw/zinc/27/64/88/352276488.db2.gz GOQUXCYIENCYNE-LLVKDONJSA-N 0 1 311.338 1.274 20 5 DDBDMN C[C@@H]1CN(CCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000036830945 352296573 /nfs/dbraw/zinc/29/65/73/352296573.db2.gz ZLLXNAPIDRQLBT-CHWSQXEVSA-N 0 1 321.377 1.824 20 5 DDBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000174018238 198281057 /nfs/dbraw/zinc/28/10/57/198281057.db2.gz IVTKVJXYKVOFNZ-INIZCTEOSA-N 0 1 305.378 1.891 20 5 DDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2nnc[nH]2)CCC1 ZINC000491991728 234354509 /nfs/dbraw/zinc/35/45/09/234354509.db2.gz OYZFIPBEUGUOGD-DAXSKMNVSA-N 0 1 313.317 1.922 20 5 DDBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C[N@H+]1C1CC1 ZINC000182091300 199385714 /nfs/dbraw/zinc/38/57/14/199385714.db2.gz JOKGHMDBNABILI-NXEZZACHSA-N 0 1 305.334 1.655 20 5 DDBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1=O ZINC000265667624 354400991 /nfs/dbraw/zinc/40/09/91/354400991.db2.gz WBFYLAZXXKBNGD-AWEZNQCLSA-N 0 1 307.350 1.526 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)c1[N+](=O)[O-] ZINC000587416298 354882549 /nfs/dbraw/zinc/88/25/49/354882549.db2.gz WGAGLMSZNJXNPS-IYSWYEEDSA-N 0 1 322.243 1.418 20 5 DDBDMN Cc1nc([C@@H](C)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000332481306 235018995 /nfs/dbraw/zinc/01/89/95/235018995.db2.gz VDNWOIFGTSCGKV-LLVKDONJSA-N 0 1 316.365 1.905 20 5 DDBDMN COC[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589498396 354996921 /nfs/dbraw/zinc/99/69/21/354996921.db2.gz UQKZMVWBDWSYCG-NSHDSACASA-N 0 1 308.334 1.850 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCCCCO)c1 ZINC000589513057 354997799 /nfs/dbraw/zinc/99/77/99/354997799.db2.gz SSGQILCPZCCCCS-UHFFFAOYSA-N 0 1 310.350 1.976 20 5 DDBDMN COc1ccc(S(=O)(=O)Nc2cccnc2)c([N+](=O)[O-])c1 ZINC000073434786 191316573 /nfs/dbraw/zinc/31/65/73/191316573.db2.gz HZPFFTALBJTHNL-UHFFFAOYSA-N 0 1 309.303 1.799 20 5 DDBDMN CCc1cc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000591742672 355375641 /nfs/dbraw/zinc/37/56/41/355375641.db2.gz UNGQITXABRKPNO-LBPRGKRZSA-N 0 1 321.333 1.675 20 5 DDBDMN COC(=O)[C@H]1C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530715 355616223 /nfs/dbraw/zinc/61/62/23/355616223.db2.gz GILQIQUMOGUKBD-GXTWGEPZSA-N 0 1 308.334 1.259 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@]2(C)CO)c1 ZINC000593025314 355773375 /nfs/dbraw/zinc/77/33/75/355773375.db2.gz WRAKZXIPRSSUIV-HNNXBMFYSA-N 0 1 308.334 1.728 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593509163 355908212 /nfs/dbraw/zinc/90/82/12/355908212.db2.gz TZIDDGPCZRXLJL-UHFFFAOYSA-N 0 1 322.756 1.689 20 5 DDBDMN COc1ccc(OCC[N@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000593749571 355985380 /nfs/dbraw/zinc/98/53/80/355985380.db2.gz AWIFAFPNEJTISE-JQWIXIFHSA-N 0 1 324.333 1.777 20 5 DDBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593750771 355986250 /nfs/dbraw/zinc/98/62/50/355986250.db2.gz RNXUBLMDMDSIJU-SCDSUCTJSA-N 0 1 324.333 1.130 20 5 DDBDMN O=C(NCC[C@@H]1CCc2ccccc2N1)c1n[nH]cc1[N+](=O)[O-] ZINC000593916580 356058622 /nfs/dbraw/zinc/05/86/22/356058622.db2.gz RDCUHPYASPFDHH-NSHDSACASA-N 0 1 315.333 1.865 20 5 DDBDMN C[C@@H](CO)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000593829018 356014042 /nfs/dbraw/zinc/01/40/42/356014042.db2.gz AONMTYSYUUNOPM-JTQLQIEISA-N 0 1 308.334 1.781 20 5 DDBDMN COc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1O ZINC000594985858 356368070 /nfs/dbraw/zinc/36/80/70/356368070.db2.gz AYIMBLUQARFXTN-ZIAGYGMSSA-N 0 1 308.334 1.702 20 5 DDBDMN CCc1[nH]nc(C(=O)N(CCOC)C2CCCC2)c1[N+](=O)[O-] ZINC000618194620 363497942 /nfs/dbraw/zinc/49/79/42/363497942.db2.gz KCVDPRSGAVJNGQ-UHFFFAOYSA-N 0 1 310.354 1.912 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000595761074 356641835 /nfs/dbraw/zinc/64/18/35/356641835.db2.gz WNUKVDSDRIPXAG-CZUORRHYSA-N 0 1 320.345 1.850 20 5 DDBDMN CC(C)CN1CCO[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596058044 356756009 /nfs/dbraw/zinc/75/60/09/356756009.db2.gz BICKTEPHYLVGCW-NSHDSACASA-N 0 1 310.354 1.464 20 5 DDBDMN Nc1ccc(N2CCC[C@@H](N3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000596294515 356848108 /nfs/dbraw/zinc/84/81/08/356848108.db2.gz LNIOBUFHUFIMGN-GFCCVEGCSA-N 0 1 321.381 1.263 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CCc3n[nH]nc3C1)OCCO2 ZINC000597250031 357109389 /nfs/dbraw/zinc/10/93/89/357109389.db2.gz QOCQCZKATTYFPA-UHFFFAOYSA-N 0 1 317.305 1.042 20 5 DDBDMN CN(Cc1cnc[nH]1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597856993 357360107 /nfs/dbraw/zinc/36/01/07/357360107.db2.gz IVMKUIKKOBZYPX-UHFFFAOYSA-N 0 1 316.317 1.939 20 5 DDBDMN C[C@@H]1CN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000597994097 357410649 /nfs/dbraw/zinc/41/06/49/357410649.db2.gz AIKLVKIJJMEBDE-GHMZBOCLSA-N 0 1 323.349 1.139 20 5 DDBDMN C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598471215 357595736 /nfs/dbraw/zinc/59/57/36/357595736.db2.gz BPJGPENEDVBWGZ-BXKDBHETSA-N 0 1 304.306 1.212 20 5 DDBDMN COC(=O)c1ccnc(N[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000598624351 357659166 /nfs/dbraw/zinc/65/91/66/357659166.db2.gz BHKMXMSZZDYZKC-ZCFIWIBFSA-N 0 1 306.282 1.376 20 5 DDBDMN C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1CO ZINC000598676815 357683031 /nfs/dbraw/zinc/68/30/31/357683031.db2.gz LMTMAKYFQWZUEG-DGCLKSJQSA-N 0 1 322.361 1.816 20 5 DDBDMN COc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1O ZINC000599007662 357791364 /nfs/dbraw/zinc/79/13/64/357791364.db2.gz SCOBXTQSASOBMX-SMDDNHRTSA-N 0 1 308.334 1.966 20 5 DDBDMN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599208949 357851301 /nfs/dbraw/zinc/85/13/01/357851301.db2.gz WFKAWFGWJGLEOV-RKDXNWHRSA-N 0 1 302.356 1.185 20 5 DDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000179485718 199042986 /nfs/dbraw/zinc/04/29/86/199042986.db2.gz ZYSSIDHFXQNPST-SNVBAGLBSA-N 0 1 315.333 1.499 20 5 DDBDMN COC(=O)[C@@]1(OC)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000599564076 357974846 /nfs/dbraw/zinc/97/48/46/357974846.db2.gz QCSUDTGDOJMBRO-IAQYHMDHSA-N 0 1 308.334 1.920 20 5 DDBDMN CCN1CCN([C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000358906396 299276374 /nfs/dbraw/zinc/27/63/74/299276374.db2.gz NHZATPZTYUTITN-ZDUSSCGKSA-N 0 1 305.382 1.206 20 5 DDBDMN O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600836792 358329178 /nfs/dbraw/zinc/32/91/78/358329178.db2.gz CFALFRGMLKDFCU-LLVKDONJSA-N 0 1 320.349 1.442 20 5 DDBDMN O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600836792 358329183 /nfs/dbraw/zinc/32/91/83/358329183.db2.gz CFALFRGMLKDFCU-LLVKDONJSA-N 0 1 320.349 1.442 20 5 DDBDMN Cc1c([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000180691421 199197832 /nfs/dbraw/zinc/19/78/32/199197832.db2.gz ZRGSMSXDTAKNKY-SNVBAGLBSA-N 0 1 317.349 1.926 20 5 DDBDMN CN(C)C1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601389503 358530659 /nfs/dbraw/zinc/53/06/59/358530659.db2.gz ACMWDNLZABAJPI-UHFFFAOYSA-N 0 1 303.362 1.789 20 5 DDBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCN(Cc2nnc[nH]2)CC1 ZINC000602863919 359248738 /nfs/dbraw/zinc/24/87/38/359248738.db2.gz IWGLNCHNCQDTJH-UHFFFAOYSA-N 0 1 320.328 1.170 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988339 359341275 /nfs/dbraw/zinc/34/12/75/359341275.db2.gz HOVKIEZQXPZGBM-VHSXEESVSA-N 0 1 322.287 1.202 20 5 DDBDMN CN[C@@H](C)c1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603234956 359503342 /nfs/dbraw/zinc/50/33/42/359503342.db2.gz DRWRGDUCMQLPJI-QMMMGPOBSA-N 0 1 309.301 1.663 20 5 DDBDMN Cc1nc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603399452 359615810 /nfs/dbraw/zinc/61/58/10/359615810.db2.gz AUBCIEABPOBETG-GFCCVEGCSA-N 0 1 320.393 1.988 20 5 DDBDMN Cc1nc(N2CCC(N3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603399452 359615814 /nfs/dbraw/zinc/61/58/14/359615814.db2.gz AUBCIEABPOBETG-GFCCVEGCSA-N 0 1 320.393 1.988 20 5 DDBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000186986285 200043286 /nfs/dbraw/zinc/04/32/86/200043286.db2.gz FCSVFMJXYUIBSS-LLVKDONJSA-N 0 1 322.365 1.547 20 5 DDBDMN CSC[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187826659 200162528 /nfs/dbraw/zinc/16/25/28/200162528.db2.gz LJQOPUPTBNKETB-AWEZNQCLSA-N 0 1 311.407 1.441 20 5 DDBDMN COc1cc(C(=O)N[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000604199913 359725152 /nfs/dbraw/zinc/72/51/52/359725152.db2.gz XEGDMRAUXPPWLA-JTQLQIEISA-N 0 1 323.349 1.436 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000604510385 359759022 /nfs/dbraw/zinc/75/90/22/359759022.db2.gz ATUPUKKHHQULAC-UHFFFAOYSA-N 0 1 322.350 1.045 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269887 360285480 /nfs/dbraw/zinc/28/54/80/360285480.db2.gz 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O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000619871864 364169321 /nfs/dbraw/zinc/16/93/21/364169321.db2.gz BGIMROREBHQDTF-GFCCVEGCSA-N 0 1 323.349 1.515 20 5 DDBDMN CC(C)NC(=O)OC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000288114658 219964262 /nfs/dbraw/zinc/96/42/62/219964262.db2.gz IXYOFOPADUCTLW-UHFFFAOYSA-N 0 1 323.305 1.259 20 5 DDBDMN COc1cc(CN[C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1O ZINC000282679912 217171414 /nfs/dbraw/zinc/17/14/14/217171414.db2.gz SPLVMTKPBFMYFK-SNVBAGLBSA-N 0 1 306.322 1.684 20 5 DDBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000288351010 220101097 /nfs/dbraw/zinc/10/10/97/220101097.db2.gz JBTCJWWTUWFODX-CDAHBRHOSA-N 0 1 318.329 1.796 20 5 DDBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000266338982 205278377 /nfs/dbraw/zinc/27/83/77/205278377.db2.gz IAJOSKAXUPPWQB-LBPRGKRZSA-N 0 1 309.366 1.760 20 5 DDBDMN C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336843598 249250026 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CCc1n[nH]c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1[N+](=O)[O-] ZINC000269007947 207160704 /nfs/dbraw/zinc/16/07/04/207160704.db2.gz AQPHSLSHCSUXAO-SSDOTTSWSA-N 0 1 306.326 1.273 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC(COC)CC2)c1[N+](=O)[O-] ZINC000112401444 194469558 /nfs/dbraw/zinc/46/95/58/194469558.db2.gz VXSMKKLPWGMWML-UHFFFAOYSA-N 0 1 310.354 1.769 20 5 DDBDMN CO[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000458189349 532963311 /nfs/dbraw/zinc/96/33/11/532963311.db2.gz LSZZWMANONASFW-QWHCGFSZSA-N 0 1 306.318 1.988 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(CCO)CC1CC1 ZINC000352459518 285064530 /nfs/dbraw/zinc/06/45/30/285064530.db2.gz ZUCQIVCFBAREPF-NSHDSACASA-N 0 1 307.350 1.626 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280838633 296390444 /nfs/dbraw/zinc/39/04/44/296390444.db2.gz UOUMXPVSBYJJJB-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN COc1ccnc(N2CCN(c3ccncc3[N+](=O)[O-])CC2)c1 ZINC000352644560 285193927 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C[C@H](CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000124326362 407354366 /nfs/dbraw/zinc/35/43/66/407354366.db2.gz HJBGWMMFEUAQEY-SSDOTTSWSA-N 0 1 324.728 1.637 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000124886123 407372784 /nfs/dbraw/zinc/37/27/84/407372784.db2.gz AHPGSCQWMSOUBA-MRVPVSSYSA-N 0 1 314.305 1.696 20 5 DDBDMN C[C@H]1CNCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000125896508 407400259 /nfs/dbraw/zinc/40/02/59/407400259.db2.gz CNXUEESPWXVGSX-NSHDSACASA-N 0 1 315.333 1.214 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@H](CC)C2)c1[N+](=O)[O-] ZINC000111643563 407413021 /nfs/dbraw/zinc/41/30/21/407413021.db2.gz UYPWTUPUKYHFCY-NXEZZACHSA-N 0 1 310.354 1.910 20 5 DDBDMN CC(C)OCCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265859546 407487824 /nfs/dbraw/zinc/48/78/24/407487824.db2.gz JVOBUDSJNDQGSW-UHFFFAOYSA-N 0 1 309.366 1.941 20 5 DDBDMN CC(C)(C)S(=O)(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000113344691 407497326 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O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000178918895 407655904 /nfs/dbraw/zinc/65/59/04/407655904.db2.gz BZFXNKVXEVNKCM-MRVPVSSYSA-N 0 1 319.770 1.279 20 5 DDBDMN CCN(C)C(=O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000130142569 407658388 /nfs/dbraw/zinc/65/83/88/407658388.db2.gz MMQAQECBYNFCMT-UHFFFAOYSA-N 0 1 320.393 1.585 20 5 DDBDMN CCCN(CC(=O)OC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000171537614 407698897 /nfs/dbraw/zinc/69/88/97/407698897.db2.gz ZZUQKQJQQIIPKG-UHFFFAOYSA-N 0 1 320.305 1.496 20 5 DDBDMN CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272344710 407878714 /nfs/dbraw/zinc/87/87/14/407878714.db2.gz BGCGEXUKQATWPE-UHFFFAOYSA-N 0 1 307.350 1.857 20 5 DDBDMN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506521 407952330 /nfs/dbraw/zinc/95/23/30/407952330.db2.gz JHLUUSGATXIKIQ-CMPLNLGQSA-N 0 1 307.350 1.855 20 5 DDBDMN C[C@@H](CC[S@](C)=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272449420 407925076 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DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC[C@@H]21 ZINC000150973087 408234550 /nfs/dbraw/zinc/23/45/50/408234550.db2.gz KDHMBOOCLVVRPZ-STQMWFEESA-N 0 1 319.361 1.857 20 5 DDBDMN CCN(CC)C(=O)[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176243171 408322849 /nfs/dbraw/zinc/32/28/49/408322849.db2.gz LEFSWTBBVJQSIH-GFCCVEGCSA-N 0 1 309.370 1.124 20 5 DDBDMN CCCCN(CC(N)=O)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269341594 408276637 /nfs/dbraw/zinc/27/66/37/408276637.db2.gz DCKYJSIZAKOLMA-UHFFFAOYSA-N 0 1 311.342 1.169 20 5 DDBDMN CNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269498628 408331541 /nfs/dbraw/zinc/33/15/41/408331541.db2.gz YTSYWTXUNKACSK-VIFPVBQESA-N 0 1 323.353 1.040 20 5 DDBDMN O=C(NCCCn1cnc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000159239594 408393674 /nfs/dbraw/zinc/39/36/74/408393674.db2.gz QESDMGRAPHTRRW-UHFFFAOYSA-N 0 1 314.305 1.488 20 5 DDBDMN Cc1cccc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC000183410802 408404093 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CN(CCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000185229609 408784100 /nfs/dbraw/zinc/78/41/00/408784100.db2.gz WFRYCQKBGNPREA-UHFFFAOYSA-N 0 1 313.379 1.310 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000163634494 408784394 /nfs/dbraw/zinc/78/43/94/408784394.db2.gz BBPIWVCLERCKIU-BXKDBHETSA-N 0 1 304.306 1.040 20 5 DDBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165010444 408806305 /nfs/dbraw/zinc/80/63/05/408806305.db2.gz ZERSQGHYVZLELA-SWLSCSKDSA-N 0 1 321.377 1.883 20 5 DDBDMN Cn1nc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc21 ZINC000185104166 162916638 /nfs/dbraw/zinc/91/66/38/162916638.db2.gz TVXYBIOZSIVFCT-UHFFFAOYSA-N 0 1 314.305 1.177 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000285999060 408905156 /nfs/dbraw/zinc/90/51/56/408905156.db2.gz MMHDKGVEZAJVRV-SNVBAGLBSA-N 0 1 304.310 1.717 20 5 DDBDMN Cc1nnc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[nH]1 ZINC000281764519 408925600 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DDBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000171546985 407701925 /nfs/dbraw/zinc/70/19/25/407701925.db2.gz KEGUFASVHPAMJL-UHFFFAOYSA-N 0 1 316.321 1.874 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(C2OCCO2)CC1 ZINC000272526983 407964380 /nfs/dbraw/zinc/96/43/80/407964380.db2.gz MCYINGXHHPMFHA-UHFFFAOYSA-N 0 1 322.317 1.526 20 5 DDBDMN CC1(C)CN(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000272448031 407926120 /nfs/dbraw/zinc/92/61/20/407926120.db2.gz AKHSONFPKLEIJJ-UHFFFAOYSA-N 0 1 323.349 1.141 20 5 DDBDMN CC1(C)[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000272568694 407988814 /nfs/dbraw/zinc/98/88/14/407988814.db2.gz RROGPLUJDHGNIV-YNEHKIRRSA-N 0 1 306.318 1.844 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000268381950 408021062 /nfs/dbraw/zinc/02/10/62/408021062.db2.gz NSSPWWBCRSPLCE-MWLCHTKSSA-N 0 1 318.337 1.546 20 5 DDBDMN O=C(NC[C@H]1COC2(CCCCC2)O1)c1n[nH]cc1[N+](=O)[O-] ZINC000182187805 408085539 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C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C[N@H+]1C1CC1 ZINC000158582288 408347552 /nfs/dbraw/zinc/34/75/52/408347552.db2.gz CWCHRZUXCWUAAS-UWVGGRQHSA-N 0 1 305.334 1.655 20 5 DDBDMN C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000183195825 408350476 /nfs/dbraw/zinc/35/04/76/408350476.db2.gz CMCIEMWMFLZBEV-SRVKXCTJSA-N 0 1 307.350 1.625 20 5 DDBDMN C[N@H+](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000166165785 162166167 /nfs/dbraw/zinc/16/61/67/162166167.db2.gz KWQUBOQZQCWMEP-JTQLQIEISA-N 0 1 311.363 1.676 20 5 DDBDMN C[N@@H+](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000166165785 162166169 /nfs/dbraw/zinc/16/61/69/162166169.db2.gz KWQUBOQZQCWMEP-JTQLQIEISA-N 0 1 311.363 1.676 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1[N+](=O)[O-] ZINC000171805477 162243074 /nfs/dbraw/zinc/24/30/74/162243074.db2.gz AUXCWAPFPDHBHX-VIFPVBQESA-N 0 1 318.337 1.623 20 5 DDBDMN CC[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000160334982 408472738 /nfs/dbraw/zinc/47/27/38/408472738.db2.gz XSBRVNLEEMJIDY-NSHDSACASA-N 0 1 306.315 1.173 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC[C@H]21 ZINC000248539920 408583380 /nfs/dbraw/zinc/58/33/80/408583380.db2.gz AXOJTJPOLIISLM-SMDDNHRTSA-N 0 1 319.361 1.857 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270596334 408595569 /nfs/dbraw/zinc/59/55/69/408595569.db2.gz CEZKFNDOBXZEMK-ZETCQYMHSA-N 0 1 307.285 1.905 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270738508 408661060 /nfs/dbraw/zinc/66/10/60/408661060.db2.gz KVXAGQXYUZWNAD-SECBINFHSA-N 0 1 319.321 1.532 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000265483974 408668892 /nfs/dbraw/zinc/66/88/92/408668892.db2.gz DUJMAUFVWZUTQI-SNVBAGLBSA-N 0 1 313.789 1.691 20 5 DDBDMN CCN1CCN([C@H]2CCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193419694 408718310 /nfs/dbraw/zinc/71/83/10/408718310.db2.gz SLZHPZZPHFLCFV-AWEZNQCLSA-N 0 1 319.409 1.393 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000275846000 408694064 /nfs/dbraw/zinc/69/40/64/408694064.db2.gz DCDROIHLFWOORQ-MGCOHNPYSA-N 0 1 310.354 1.817 20 5 DDBDMN C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)N(C)C ZINC000276020187 408752311 /nfs/dbraw/zinc/75/23/11/408752311.db2.gz BHFCOWVRMLPMNR-VIFPVBQESA-N 0 1 301.368 1.360 20 5 DDBDMN Cc1c(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285953373 408895895 /nfs/dbraw/zinc/89/58/95/408895895.db2.gz WHZJGQCERZADPG-LSDHHAIUSA-N 0 1 319.361 1.448 20 5 DDBDMN O=[N+]([O-])c1cccc(OCCN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291959778 408953301 /nfs/dbraw/zinc/95/33/01/408953301.db2.gz UYOJFZNODAWIDG-LLVKDONJSA-N 0 1 316.304 1.923 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n[nH]1 ZINC000286436414 408985146 /nfs/dbraw/zinc/98/51/46/408985146.db2.gz QZTQKHJJCDAVGT-LURJTMIESA-N 0 1 319.277 1.241 20 5 DDBDMN O=C1C[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CN1 ZINC000278837665 409098070 /nfs/dbraw/zinc/09/80/70/409098070.db2.gz IXLDDXANPCURAC-CQSZACIVSA-N 0 1 309.753 1.960 20 5 DDBDMN CC(C)[N@@H+](CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000283681948 409194815 /nfs/dbraw/zinc/19/48/15/409194815.db2.gz HOAONRUIIVUEEV-UHFFFAOYSA-N 0 1 312.366 1.693 20 5 DDBDMN COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000279093158 409147258 /nfs/dbraw/zinc/14/72/58/409147258.db2.gz NVPLNYHJVMTEDW-WCBMZHEXSA-N 0 1 308.290 1.372 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000284328672 409321773 /nfs/dbraw/zinc/32/17/73/409321773.db2.gz KOYJWIPLSYPJBD-HZPDHXFCSA-N 0 1 305.378 1.808 20 5 DDBDMN CCOc1cccc(N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284995668 409390031 /nfs/dbraw/zinc/39/00/31/409390031.db2.gz LREHYTSGIHXJDQ-UONOGXRCSA-N 0 1 321.377 1.903 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)CO ZINC000295293466 409416790 /nfs/dbraw/zinc/41/67/90/409416790.db2.gz UJFAOYZZPYKVTK-LLVKDONJSA-N 0 1 309.366 1.872 20 5 DDBDMN C[C@@H]1CN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000408464934 164340051 /nfs/dbraw/zinc/34/00/51/164340051.db2.gz GFKRESWQZPWBLU-LLVKDONJSA-N 0 1 324.356 1.818 20 5 DDBDMN CN(C)c1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000356731559 409559030 /nfs/dbraw/zinc/55/90/30/409559030.db2.gz REVKQVXRYKNFSR-UHFFFAOYSA-N 0 1 316.317 1.691 20 5 DDBDMN C[C@H]1[C@@H](O)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000296302982 409498037 /nfs/dbraw/zinc/49/80/37/409498037.db2.gz ZURDDBMXMCBIKS-UFBFGSQYSA-N 0 1 304.306 1.457 20 5 DDBDMN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342415681 409612914 /nfs/dbraw/zinc/61/29/14/409612914.db2.gz KMSMUTMUQPPHCI-ONGXEEELSA-N 0 1 314.363 1.126 20 5 DDBDMN Cc1sc(C(=O)NC2(c3nn[nH]n3)CCCC2)cc1[N+](=O)[O-] ZINC000345554172 409692743 /nfs/dbraw/zinc/69/27/43/409692743.db2.gz TXTNRPQDMRWXGV-UHFFFAOYSA-N 0 1 322.350 1.677 20 5 DDBDMN CN(CC(C)(C)O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000304737535 409642376 /nfs/dbraw/zinc/64/23/76/409642376.db2.gz SNZZUVMELBEAEU-ZDUSSCGKSA-N 0 1 307.350 1.403 20 5 DDBDMN C[C@@H]1[C@H](C)N(C(=O)CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000356843158 409655410 /nfs/dbraw/zinc/65/54/10/409655410.db2.gz GBLWLEUAMPODOX-OLZOCXBDSA-N 0 1 321.377 1.915 20 5 DDBDMN CCOCCN1CCN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1CC ZINC000297054962 409780366 /nfs/dbraw/zinc/78/03/66/409780366.db2.gz IQCSLXYDYAOSLT-CYBMUJFWSA-N 0 1 323.397 1.630 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCNC[C@H]1c1ccccc1 ZINC000313343223 409808054 /nfs/dbraw/zinc/80/80/54/409808054.db2.gz FMWXCIUUMKUCCJ-AWEZNQCLSA-N 0 1 300.318 1.710 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000318811455 409883340 /nfs/dbraw/zinc/88/33/40/409883340.db2.gz UMLIYVSTUPQFBL-VXGBXAGGSA-N 0 1 305.334 1.657 20 5 DDBDMN CCOC(=O)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000354749399 410058530 /nfs/dbraw/zinc/05/85/30/410058530.db2.gz KFPHRHKNIANJGS-UHFFFAOYSA-N 0 1 308.290 1.374 20 5 DDBDMN 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Cc1nnc(SCC(=O)NCCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000089304568 407129864 /nfs/dbraw/zinc/12/98/64/407129864.db2.gz XUIOGQMTBWBVIL-UHFFFAOYSA-N 0 1 321.362 1.472 20 5 DDBDMN Cc1n[nH]c(SCC(=O)NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000089304568 407129867 /nfs/dbraw/zinc/12/98/67/407129867.db2.gz XUIOGQMTBWBVIL-UHFFFAOYSA-N 0 1 321.362 1.472 20 5 DDBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000105612120 407354965 /nfs/dbraw/zinc/35/49/65/407354965.db2.gz NDGJYZRCLCWWTE-ZDUSSCGKSA-N 0 1 307.350 1.574 20 5 DDBDMN Cc1nnc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[nH]1 ZINC000103256425 407335336 /nfs/dbraw/zinc/33/53/36/407335336.db2.gz JYIYPGZZHQISAJ-UHFFFAOYSA-N 0 1 313.277 1.459 20 5 DDBDMN Cc1n[nH]c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000103256425 407335337 /nfs/dbraw/zinc/33/53/37/407335337.db2.gz JYIYPGZZHQISAJ-UHFFFAOYSA-N 0 1 313.277 1.459 20 5 DDBDMN CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000127857543 407472368 /nfs/dbraw/zinc/47/23/68/407472368.db2.gz 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ZINC000179601924 407812019 /nfs/dbraw/zinc/81/20/19/407812019.db2.gz DZYNCULHSIOZPI-UHFFFAOYSA-N 0 1 323.397 1.192 20 5 DDBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000180521146 407894626 /nfs/dbraw/zinc/89/46/26/407894626.db2.gz BXWICXZYBMYLEB-UHFFFAOYSA-N 0 1 319.365 1.272 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000262665570 407894613 /nfs/dbraw/zinc/89/46/13/407894613.db2.gz PIFXMNVMXIAQAT-NSHDSACASA-N 0 1 321.333 1.638 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000268256296 407972873 /nfs/dbraw/zinc/97/28/73/407972873.db2.gz WDHZUNZUOSUMOC-JTQLQIEISA-N 0 1 322.346 1.902 20 5 DDBDMN O=C(NCCN1CCSCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272550765 407978640 /nfs/dbraw/zinc/97/86/40/407978640.db2.gz PFLSQUWCIOBXBH-UHFFFAOYSA-N 0 1 311.363 1.079 20 5 DDBDMN O=C(CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000272561993 407984823 /nfs/dbraw/zinc/98/48/23/407984823.db2.gz LULVZRWVVYWDAW-UHFFFAOYSA-N 0 1 321.333 1.433 20 5 DDBDMN Cn1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273498732 408223682 /nfs/dbraw/zinc/22/36/82/408223682.db2.gz OXRLAHPLUKLHNR-UHFFFAOYSA-N 0 1 323.374 1.497 20 5 DDBDMN C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196585 408350599 /nfs/dbraw/zinc/35/05/99/408350599.db2.gz QYLOCRBARMMPDC-SRVKXCTJSA-N 0 1 307.350 1.625 20 5 DDBDMN C[C@H](CO)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270418774 408525689 /nfs/dbraw/zinc/52/56/89/408525689.db2.gz GGVHEISZIKPZJZ-VIFPVBQESA-N 0 1 306.322 1.610 20 5 DDBDMN COCC1(O)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270414063 408526070 /nfs/dbraw/zinc/52/60/70/408526070.db2.gz YCVWQDJWIUWYSC-UHFFFAOYSA-N 0 1 310.350 1.447 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(C(=O)OC)C2)c1[N+](=O)[O-] ZINC000177202975 408552281 /nfs/dbraw/zinc/55/22/81/408552281.db2.gz DOUQMTMAXHWRKF-CQSZACIVSA-N 0 1 324.337 1.296 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000270563456 408581766 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CCCN1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000276489993 408868698 /nfs/dbraw/zinc/86/86/98/408868698.db2.gz SFNQKJJYZNCOMV-UHFFFAOYSA-N 0 1 321.333 1.385 20 5 DDBDMN Cc1cc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)ncc1[N+](=O)[O-] ZINC000285824493 408870652 /nfs/dbraw/zinc/87/06/52/408870652.db2.gz ZNZQMHGBCGKPHT-VIFPVBQESA-N 0 1 305.294 1.359 20 5 DDBDMN CCOCCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277997902 409048269 /nfs/dbraw/zinc/04/82/69/409048269.db2.gz ZZYCZAWKUGTGHG-UHFFFAOYSA-N 0 1 319.365 1.630 20 5 DDBDMN C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293807813 409183729 /nfs/dbraw/zinc/18/37/29/409183729.db2.gz AMAJZJICWOGWFQ-OAHLLOKOSA-N 0 1 320.349 1.253 20 5 DDBDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293807813 409183731 /nfs/dbraw/zinc/18/37/31/409183731.db2.gz AMAJZJICWOGWFQ-OAHLLOKOSA-N 0 1 320.349 1.253 20 5 DDBDMN CN1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000284571801 409350851 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CC[C@@H](C)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000296792657 409642382 /nfs/dbraw/zinc/64/23/82/409642382.db2.gz DLIPKCUPYCVPCA-SNVBAGLBSA-N 0 1 324.356 1.872 20 5 DDBDMN Cc1noc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000338116289 409728792 /nfs/dbraw/zinc/72/87/92/409728792.db2.gz YXRWNLFKSFRMSK-LURJTMIESA-N 0 1 316.277 1.654 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2=O)C1 ZINC000332212954 409983142 /nfs/dbraw/zinc/98/31/42/409983142.db2.gz SUCNEZKCVIMMBU-NSHDSACASA-N 0 1 319.317 1.137 20 5 DDBDMN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339618125 410334160 /nfs/dbraw/zinc/33/41/60/410334160.db2.gz BJBBLKOFJMXOHP-GHMZBOCLSA-N 0 1 306.366 1.218 20 5 DDBDMN COc1ccc(NC(=O)CN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000298679325 410343112 /nfs/dbraw/zinc/34/31/12/410343112.db2.gz SLLDAYUTAFGVBG-UHFFFAOYSA-N 0 1 322.365 1.179 20 5 DDBDMN C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[n-]3)n1)OC2 ZINC000347343720 410484243 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DDBDMN O=C(NCCn1cnnc1C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356585221 411097055 /nfs/dbraw/zinc/09/70/55/411097055.db2.gz XZADCZTZKMFGHH-UHFFFAOYSA-N 0 1 317.305 1.199 20 5 DDBDMN CCOc1ccc(C(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000353728268 411118615 /nfs/dbraw/zinc/11/86/15/411118615.db2.gz NRPBKKDXSDQCHA-UHFFFAOYSA-N 0 1 305.294 1.384 20 5 DDBDMN O=C(Nc1cnccc1-n1ccnn1)c1ccc([N+](=O)[O-])o1 ZINC000367407385 418598405 /nfs/dbraw/zinc/59/84/05/418598405.db2.gz DQCZXUVVYMLRPD-UHFFFAOYSA-N 0 1 300.234 1.416 20 5 DDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCN([C@H]2CCSC2)CC1 ZINC000361958729 418730995 /nfs/dbraw/zinc/73/09/95/418730995.db2.gz KFSNEVLCCOVBJD-LBPRGKRZSA-N 0 1 308.407 1.926 20 5 DDBDMN COc1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)ccc1[N+](=O)[O-] ZINC000371308467 418778125 /nfs/dbraw/zinc/77/81/25/418778125.db2.gz OPPSSSVTEAHGHJ-SNVBAGLBSA-N 0 1 316.317 1.614 20 5 DDBDMN Cc1nc(CN2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000371550697 418799701 /nfs/dbraw/zinc/79/97/01/418799701.db2.gz MXFFKRRCLNLOPU-OLZOCXBDSA-N 0 1 324.406 1.151 20 5 DDBDMN O=C(NCc1noc(-c2cccc(F)c2)n1)[C@H]1CC1[N+](=O)[O-] ZINC000365566557 418876789 /nfs/dbraw/zinc/87/67/89/418876789.db2.gz SGDUZOAMLAUKFL-VHSXEESVSA-N 0 1 306.253 1.157 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000372190788 418843388 /nfs/dbraw/zinc/84/33/88/418843388.db2.gz GOPABMQYMWXCJY-APIJFGDWSA-N 0 1 322.336 1.905 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@]12CCOC2 ZINC000421010948 419446656 /nfs/dbraw/zinc/44/66/56/419446656.db2.gz DBFUSZYEFKYTHY-IUODEOHRSA-N 0 1 308.334 1.199 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]2)s1 ZINC000440804655 229836010 /nfs/dbraw/zinc/83/60/10/229836010.db2.gz IBNBIACFOSQFMV-MRVPVSSYSA-N 0 1 305.381 1.077 20 5 DDBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CNc1n[nH]c(N(C)C)n1 ZINC000424180463 420313037 /nfs/dbraw/zinc/31/30/37/420313037.db2.gz OJSDAPAASVKJJN-YFHOEESVSA-N 0 1 302.338 2.294 20 5 DDBDMN NC(=O)c1cccc([N+](=O)[O-])c1N1CCN(C2CCCC2)CC1 ZINC000420589691 420324598 /nfs/dbraw/zinc/32/45/98/420324598.db2.gz UKQSZIOYPXNIRF-UHFFFAOYSA-N 0 1 318.377 1.758 20 5 DDBDMN CO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCC2 ZINC000456605945 420512472 /nfs/dbraw/zinc/51/24/72/420512472.db2.gz CQGBIHRLFXMVFN-NXEZZACHSA-N 0 1 308.338 1.656 20 5 DDBDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000457098792 420612088 /nfs/dbraw/zinc/61/20/88/420612088.db2.gz ULLLFHKPWWSSQI-GFCCVEGCSA-N 0 1 307.350 1.855 20 5 DDBDMN CO[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000452822156 420668755 /nfs/dbraw/zinc/66/87/55/420668755.db2.gz DAWCJSJRQSYWEQ-NXEZZACHSA-N 0 1 310.354 1.938 20 5 DDBDMN COc1cc(CNc2nc3n(n2)CCCC3)cc([N+](=O)[O-])c1O ZINC000453055222 420707460 /nfs/dbraw/zinc/70/74/60/420707460.db2.gz VNDMZYVTUVAMFZ-UHFFFAOYSA-N 0 1 319.321 1.849 20 5 DDBDMN CCOC(=O)CC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000447867333 420808041 /nfs/dbraw/zinc/80/80/41/420808041.db2.gz WQBMOMHFXZTERK-UHFFFAOYSA-N 0 1 310.310 1.314 20 5 DDBDMN Cn1nccc1[C@H](CO)NCCOc1ccccc1[N+](=O)[O-] ZINC000459761383 420866358 /nfs/dbraw/zinc/86/63/58/420866358.db2.gz QYDIMYNLIFIYHB-NSHDSACASA-N 0 1 306.322 1.030 20 5 DDBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(C(N)=O)no1 ZINC000449241046 420973286 /nfs/dbraw/zinc/97/32/86/420973286.db2.gz QSZZSXBRDVKKFC-SECBINFHSA-N 0 1 304.306 1.403 20 5 DDBDMN O=C1OCC[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000495651816 421040476 /nfs/dbraw/zinc/04/04/76/421040476.db2.gz NRZDWJMUIRWEPE-LLVKDONJSA-N 0 1 307.306 1.327 20 5 DDBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000489217564 421139348 /nfs/dbraw/zinc/13/93/48/421139348.db2.gz KYXLNLRBZUEDNR-BDAKNGLRSA-N 0 1 321.341 1.300 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2nccn21 ZINC000456439596 421167187 /nfs/dbraw/zinc/16/71/87/421167187.db2.gz YAGICIVAPZWSHR-QPUJVOFHSA-N 0 1 302.290 1.933 20 5 DDBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000562760928 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DDBDMN Cc1nc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000570539769 421652878 /nfs/dbraw/zinc/65/28/78/421652878.db2.gz LAJQTJLPXQFZMU-QMMMGPOBSA-N 0 1 304.310 1.582 20 5 DDBDMN O=C(NC[C@@H](CO)Cc1ccco1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000532633275 421662466 /nfs/dbraw/zinc/66/24/66/421662466.db2.gz CZLRWPLILIFKNH-JTQLQIEISA-N 0 1 320.301 1.474 20 5 DDBDMN CC(C)Oc1nc(NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000570816357 421671976 /nfs/dbraw/zinc/67/19/76/421671976.db2.gz OEUDOTBUPHTRBC-UHFFFAOYSA-N 0 1 306.326 1.940 20 5 DDBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000538225275 421737820 /nfs/dbraw/zinc/73/78/20/421737820.db2.gz UTLKPAWIDIFQLS-QMMMGPOBSA-N 0 1 320.284 1.267 20 5 DDBDMN CC[N@H+]1CCC[C@@H]1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574210219 422077868 /nfs/dbraw/zinc/07/78/68/422077868.db2.gz OTRKTYOEZWTAML-SNVBAGLBSA-N 0 1 308.338 1.893 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000574918891 422214660 /nfs/dbraw/zinc/21/46/60/422214660.db2.gz BLTUPAVHHHSHAK-LLVKDONJSA-N 0 1 322.365 2.139 20 5 DDBDMN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCN1CCC(O)CC1 ZINC000321420980 271028224 /nfs/dbraw/zinc/02/82/24/271028224.db2.gz LBQDQHDETIJUFT-PLNGDYQASA-N 0 1 319.361 1.181 20 5 DDBDMN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343281332 271713701 /nfs/dbraw/zinc/71/37/01/271713701.db2.gz NWQQCKCTLZRNBD-IUODEOHRSA-N 0 1 316.317 1.787 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344425758 272022705 /nfs/dbraw/zinc/02/27/05/272022705.db2.gz OHMXTSWQVLRGSK-PHIMTYICSA-N 0 1 309.370 1.041 20 5 DDBDMN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000344471916 272032389 /nfs/dbraw/zinc/03/23/89/272032389.db2.gz CGTUAQIBIIOOBV-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN(C)C ZINC000344913678 272139963 /nfs/dbraw/zinc/13/99/63/272139963.db2.gz HMWDLAATZCFBPV-SNVBAGLBSA-N 0 1 301.368 1.132 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@@H]1C ZINC000345925769 272366452 /nfs/dbraw/zinc/36/64/52/272366452.db2.gz SAIMDUFOGUAZRS-WDEREUQCSA-N 0 1 306.366 1.853 20 5 DDBDMN COC(=O)C[C@@]1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000361740497 299927917 /nfs/dbraw/zinc/92/79/17/299927917.db2.gz JENZIGDFTLQXRH-HNNXBMFYSA-N 0 1 308.334 1.715 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2[nH]nnc2C1 ZINC000362205049 300028564 /nfs/dbraw/zinc/02/85/64/300028564.db2.gz XSAIHMIMKZJYHJ-UHFFFAOYSA-N 0 1 321.724 1.494 20 5 DDBDMN O=[N+]([O-])c1cnc(Nc2cnn(-c3ncccc3F)c2)nc1 ZINC000368179522 300970406 /nfs/dbraw/zinc/97/04/06/300970406.db2.gz LFDZHCRVYMALJD-UHFFFAOYSA-N 0 1 301.241 1.848 20 5 DDBDMN CC(=O)N1CCSc2ccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])cc21 ZINC000368776975 301088563 /nfs/dbraw/zinc/08/85/63/301088563.db2.gz JEUPCOPRGKTDTE-QWRGUYRKSA-N 0 1 321.358 1.749 20 5 DDBDMN NC(=O)c1ccc(CN2CCC3(CCO3)CC2)c([N+](=O)[O-])c1 ZINC000374344712 301795958 /nfs/dbraw/zinc/79/59/58/301795958.db2.gz HVYWEILTXRDPHK-UHFFFAOYSA-N 0 1 305.334 1.449 20 5 DDBDMN Cc1cc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n[nH]1 ZINC000376045272 302030849 /nfs/dbraw/zinc/03/08/49/302030849.db2.gz NFPYSUYMXPYSFH-UHFFFAOYSA-N 0 1 304.310 1.300 20 5 DDBDMN Nc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2C[C@@H]2c2nc[nH]n2)n1 ZINC000377450769 302180972 /nfs/dbraw/zinc/18/09/72/302180972.db2.gz YYZFBUGEXRIMOL-JGVFFNPUSA-N 0 1 313.277 1.616 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000533015683 303305231 /nfs/dbraw/zinc/30/52/31/303305231.db2.gz OGSVLWZBDRCCEM-ZJUUUORDSA-N 0 1 310.354 1.674 20 5 DDBDMN O=C(N[C@@H](CO)C1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000543739572 303464178 /nfs/dbraw/zinc/46/41/78/303464178.db2.gz BYJOQDMACXJGSC-AWEZNQCLSA-N 0 1 308.334 1.971 20 5 DDBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000359202105 306952930 /nfs/dbraw/zinc/95/29/30/306952930.db2.gz SFVWEQWPVWLYJC-GFCCVEGCSA-N 0 1 307.350 1.818 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(N)=O)C1 ZINC000367377995 307092358 /nfs/dbraw/zinc/09/23/58/307092358.db2.gz NVERFTSOIPHBAB-QWRGUYRKSA-N 0 1 320.349 1.119 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000368532949 307104665 /nfs/dbraw/zinc/10/46/65/307104665.db2.gz RWSOHNZUHNJRJM-GXTWGEPZSA-N 0 1 309.341 1.769 20 5 DDBDMN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)cc1 ZINC000369647330 307125877 /nfs/dbraw/zinc/12/58/77/307125877.db2.gz LCHWCWQQULMTJW-MELADBBJSA-N 0 1 317.345 1.272 20 5 DDBDMN O=C(N[C@@H]1C[C@]12CCOc1ccccc12)c1n[nH]cc1[N+](=O)[O-] ZINC000371224675 307145271 /nfs/dbraw/zinc/14/52/71/307145271.db2.gz ARTJJHUVEDKGDB-DOMZBBRYSA-N 0 1 314.301 1.541 20 5 DDBDMN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC1[N+](=O)[O-] ZINC000377610706 307274723 /nfs/dbraw/zinc/27/47/23/307274723.db2.gz FGGPGFBKTDKFHM-MKPLZMMCSA-N 0 1 323.736 1.227 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC[NH3+])C(F)F ZINC000394764918 307295676 /nfs/dbraw/zinc/29/56/76/307295676.db2.gz HYKHMXMTMQZXEP-QMMMGPOBSA-N 0 1 323.321 1.164 20 5 DDBDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404028028 307297645 /nfs/dbraw/zinc/29/76/45/307297645.db2.gz VWPZBNBDWDOQGL-XPHWWTOTSA-N 0 1 317.345 1.197 20 5 DDBDMN O=C([O-])c1ccnc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000579479457 308535154 /nfs/dbraw/zinc/53/51/54/308535154.db2.gz RCSLQLLSGJHXJF-QMMMGPOBSA-N 0 1 303.278 1.311 20 5 DDBDMN COc1ccc(C(=O)N2CCC3(CN(C)C3)C2)cc1[N+](=O)[O-] ZINC000618921063 490410342 /nfs/dbraw/zinc/41/03/42/490410342.db2.gz NTQSIPAKUWXXGD-UHFFFAOYSA-N 0 1 305.334 1.381 20 5 DDBDMN COC(=O)c1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000422827562 533729377 /nfs/dbraw/zinc/72/93/77/533729377.db2.gz SFRSPYXWWSTVOB-UWVGGRQHSA-N 0 1 321.333 1.204 20 5 DDBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425066509 534709008 /nfs/dbraw/zinc/70/90/08/534709008.db2.gz OXSGVGWSDWUDAM-MRVPVSSYSA-N 0 1 305.269 1.482 20 5 DDBDMN CC(C)(C)c1ccncc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000412575120 526812465 /nfs/dbraw/zinc/81/24/65/526812465.db2.gz XJAVENQSSRVJHP-UHFFFAOYSA-N 0 1 303.322 1.940 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](CO)CC2)c1[N+](=O)[O-] ZINC000294550446 527998130 /nfs/dbraw/zinc/99/81/30/527998130.db2.gz MTSXRMMSJWRUBX-SNVBAGLBSA-N 0 1 310.354 1.676 20 5 DDBDMN CCOc1cc(CN[C@@H]2COC[C@H]2OCC)ccc1[N+](=O)[O-] ZINC000451949654 528281777 /nfs/dbraw/zinc/28/17/77/528281777.db2.gz XRPTXXMLZWNFNQ-IUODEOHRSA-N 0 1 310.350 1.887 20 5 DDBDMN CCOc1cc(N2C[C@@H](C)N(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000419007321 528312953 /nfs/dbraw/zinc/31/29/53/528312953.db2.gz RKITYCALSFULKG-CHWSQXEVSA-N 0 1 323.393 1.885 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000305814575 528543825 /nfs/dbraw/zinc/54/38/25/528543825.db2.gz NWLNXNPMLMUFFG-PWSUYJOCSA-N 0 1 324.381 1.894 20 5 DDBDMN CC[C@H](CNS(C)(=O)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000294935823 529366590 /nfs/dbraw/zinc/36/65/90/529366590.db2.gz BWRUDVWWDLTBHM-LLVKDONJSA-N 0 1 301.368 1.012 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C(=O)[O-])CC1 ZINC000740174749 596924577 /nfs/dbraw/zinc/92/45/77/596924577.db2.gz LKLLZAUYFDRGSD-UHFFFAOYSA-N 0 1 321.333 1.638 20 5 DDBDMN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000796948900 699987515 /nfs/dbraw/zinc/98/75/15/699987515.db2.gz NHADMJWQOBDRHI-UHFFFAOYSA-N 0 1 307.285 1.771 20 5 DDBDMN C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1F ZINC000796948900 699987516 /nfs/dbraw/zinc/98/75/16/699987516.db2.gz NHADMJWQOBDRHI-UHFFFAOYSA-N 0 1 307.285 1.771 20 5 DDBDMN CCc1nc(COC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000797495237 700012175 /nfs/dbraw/zinc/01/21/75/700012175.db2.gz VJKNZHLEWZBRCV-UHFFFAOYSA-N 0 1 320.305 1.706 20 5 DDBDMN C[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N1CCCCCC1 ZINC000748128742 700101443 /nfs/dbraw/zinc/10/14/43/700101443.db2.gz KPARICPWIFKHLK-GFCCVEGCSA-N 0 1 310.354 1.599 20 5 DDBDMN Cc1noc(C)c1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119650375 696683593 /nfs/dbraw/zinc/68/35/93/696683593.db2.gz XLGAMPZTPCLUGY-UHFFFAOYSA-N 0 1 317.348 1.740 20 5 DDBDMN CC(C)(O)CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581893 698121251 /nfs/dbraw/zinc/12/12/51/698121251.db2.gz OJPNDULNJHPIQI-OAHLLOKOSA-N 0 1 323.393 1.017 20 5 DDBDMN CCOCCO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592139 698123505 /nfs/dbraw/zinc/12/35/05/698123505.db2.gz YZRRWJVICUUHRF-JKSUJKDBSA-N 0 1 324.377 1.756 20 5 DDBDMN CC1(C)CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCN1 ZINC000778305904 698259584 /nfs/dbraw/zinc/25/95/84/698259584.db2.gz KRXUWMAESUGCFR-UHFFFAOYSA-N 0 1 321.362 1.424 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@]12CCOC2=O ZINC000779258872 698407746 /nfs/dbraw/zinc/40/77/46/698407746.db2.gz DNFXJQSPPDFQLF-AWEZNQCLSA-N 0 1 306.274 1.222 20 5 DDBDMN O=C(NC[C@@H](O)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780328134 698507370 /nfs/dbraw/zinc/50/73/70/698507370.db2.gz NJBRSIJECFUZCF-CQSZACIVSA-N 0 1 302.286 1.764 20 5 DDBDMN NC(=O)COc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000740604375 699796126 /nfs/dbraw/zinc/79/61/26/699796126.db2.gz HXZIIGTUFAJXSP-UHFFFAOYSA-N 0 1 305.246 1.006 20 5 DDBDMN CCc1nc(COC(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000796308490 699925394 /nfs/dbraw/zinc/92/53/94/699925394.db2.gz IQERVVGSQSCLKK-UHFFFAOYSA-N 0 1 306.278 1.641 20 5 DDBDMN COC[C@@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000751949551 700329904 /nfs/dbraw/zinc/32/99/04/700329904.db2.gz LQWJNTAPBYORQY-AWEZNQCLSA-N 0 1 317.349 1.922 20 5 DDBDMN COCC1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000759318017 700745879 /nfs/dbraw/zinc/74/58/79/700745879.db2.gz PLBIDOZQDYQFFJ-CQSZACIVSA-N 0 1 310.350 1.102 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C)[C@H](C)C1 ZINC000761077377 700840204 /nfs/dbraw/zinc/84/02/04/700840204.db2.gz RTSBDVIZGKKQQU-NEPJUHHUSA-N 0 1 306.366 1.558 20 5 DDBDMN CN1CCN(CCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804338609 701180817 /nfs/dbraw/zinc/18/08/17/701180817.db2.gz WJNRDGCUCHGNND-UHFFFAOYSA-N 0 1 309.326 1.162 20 5 DDBDMN COc1nc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC000770511375 701280974 /nfs/dbraw/zinc/28/09/74/701280974.db2.gz MTHLGSUXNYMMCE-UHFFFAOYSA-N 0 1 305.246 1.456 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000839508370 701720221 /nfs/dbraw/zinc/72/02/21/701720221.db2.gz OZBJADMZPSTNEH-OWYVNGRQSA-N 0 1 317.345 1.878 20 5 DDBDMN C[C@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839648884 701765789 /nfs/dbraw/zinc/76/57/89/701765789.db2.gz RLRLOEIHQINSJN-KCPJHIHWSA-N 0 1 321.352 1.696 20 5 DDBDMN CC(C)n1c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2ccccc21 ZINC000839685125 701783874 /nfs/dbraw/zinc/78/38/74/701783874.db2.gz DQKOUYKQXXQBDC-ZWNOBZJWSA-N 0 1 302.334 1.899 20 5 DDBDMN COC(=O)[C@@H](C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839701721 701790247 /nfs/dbraw/zinc/79/02/47/701790247.db2.gz ZJJOBGXBRAQMQF-WKSBVSIWSA-N 0 1 306.318 1.318 20 5 DDBDMN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839727260 701799729 /nfs/dbraw/zinc/79/97/29/701799729.db2.gz XEGAZGVFTYUADL-DGAVXFQQSA-N 0 1 308.309 1.827 20 5 DDBDMN COCCC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748235 701808679 /nfs/dbraw/zinc/80/86/79/701808679.db2.gz ISZROZKNAGPUOW-RBSFLKMASA-N 0 1 306.362 1.806 20 5 DDBDMN Cc1nc2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2n1C1CC1 ZINC000839760388 701813903 /nfs/dbraw/zinc/81/39/03/701813903.db2.gz FEBHEJWTINRQKL-IUODEOHRSA-N 0 1 314.345 1.961 20 5 DDBDMN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840300153 702061912 /nfs/dbraw/zinc/06/19/12/702061912.db2.gz HOLWMQNHVHNCSX-TZMCWYRMSA-N 0 1 317.345 1.835 20 5 DDBDMN Cc1nc([C@@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)n[nH]1 ZINC000840378480 702090597 /nfs/dbraw/zinc/09/05/97/702090597.db2.gz SONGPJJEQCFLEA-SNVBAGLBSA-N 0 1 313.321 1.663 20 5 DDBDMN Cc1nnc([C@@H]2CCN(c3nc4ccccn4c3[N+](=O)[O-])C2)[nH]1 ZINC000840378480 702090604 /nfs/dbraw/zinc/09/06/04/702090604.db2.gz SONGPJJEQCFLEA-SNVBAGLBSA-N 0 1 313.321 1.663 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000816651892 702135838 /nfs/dbraw/zinc/13/58/38/702135838.db2.gz SYIYPJJHQBZHJU-UHFFFAOYSA-N 0 1 317.261 1.425 20 5 DDBDMN O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670168 702194070 /nfs/dbraw/zinc/19/40/70/702194070.db2.gz CJKYZTJSBTYDJN-UPJWGTAASA-N 0 1 322.292 1.530 20 5 DDBDMN CCO[C@H](C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840671186 702194946 /nfs/dbraw/zinc/19/49/46/702194946.db2.gz ONDOAIFYZFWYEO-SZEHBUNVSA-N 0 1 300.336 1.949 20 5 DDBDMN C[C@@H](CNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840673024 702197931 /nfs/dbraw/zinc/19/79/31/702197931.db2.gz VZKNINVGTZTZBK-OIMNJJJWSA-N 0 1 320.345 1.503 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@](O)(C(F)F)C2)c1 ZINC000831175136 706649902 /nfs/dbraw/zinc/64/99/02/706649902.db2.gz FVKYSZQPRMFPJK-YPMHNXCESA-N 0 1 302.277 1.330 20 5 DDBDMN O=C(NCC1CN(c2ccc([N+](=O)[O-])nc2)C1)C(F)(F)F ZINC000866293828 706667195 /nfs/dbraw/zinc/66/71/95/706667195.db2.gz DHINWFKMAYUWRB-UHFFFAOYSA-N 0 1 304.228 1.105 20 5 DDBDMN COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cc1 ZINC000870102260 703916334 /nfs/dbraw/zinc/91/63/34/703916334.db2.gz RHRAOCCQYZVFKZ-MCIONIFRSA-N 0 1 306.318 1.260 20 5 DDBDMN COCc1nc(CNc2nc3ccccn3c2[N+](=O)[O-])n[nH]1 ZINC000853810292 704319746 /nfs/dbraw/zinc/31/97/46/704319746.db2.gz ZRXRPILNIVONMB-UHFFFAOYSA-N 0 1 303.282 1.119 20 5 DDBDMN COCc1nnc(CNc2nc3ccccn3c2[N+](=O)[O-])[nH]1 ZINC000853810292 704319748 /nfs/dbraw/zinc/31/97/48/704319748.db2.gz ZRXRPILNIVONMB-UHFFFAOYSA-N 0 1 303.282 1.119 20 5 DDBDMN O=C(OCc1c[nH]nn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000821586835 704424812 /nfs/dbraw/zinc/42/48/12/704424812.db2.gz SEVCUDUBLSDTNT-UHFFFAOYSA-N 0 1 317.305 1.670 20 5 DDBDMN 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Cc1c(CNC(=O)C2CN([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000897547580 708368609 /nfs/dbraw/zinc/36/86/09/708368609.db2.gz YMSBCNBLGZZGPB-AWEZNQCLSA-N 0 1 319.361 1.240 20 5 DDBDMN CN(C)c1ccnc(CNC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000927707311 713036214 /nfs/dbraw/zinc/03/62/14/713036214.db2.gz KZJGUIJXIZTWNO-UHFFFAOYSA-N 0 1 303.322 1.324 20 5 DDBDMN CN(C)c1ccnc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000927709700 713036996 /nfs/dbraw/zinc/03/69/96/713036996.db2.gz FVHGYVWOMDLLMH-UHFFFAOYSA-N 0 1 314.345 1.915 20 5 DDBDMN CNc1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1[N+](=O)[O-] ZINC000912926087 713127094 /nfs/dbraw/zinc/12/70/94/713127094.db2.gz YUNWSWYMYVMUFA-LBPRGKRZSA-N 0 1 304.350 1.557 20 5 DDBDMN C[N@H+]1C[C@@H]2CN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000910336989 709900088 /nfs/dbraw/zinc/90/00/88/709900088.db2.gz WFBGUGSSXWLZPY-WBMJQRKESA-N 0 1 319.361 1.610 20 5 DDBDMN Cc1c(C[N@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000901950509 710182979 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407775810 /nfs/dbraw/zinc/77/58/10/407775810.db2.gz SRMWVCZZGSZOIN-UHFFFAOYSA-N 0 1 301.368 1.085 20 5 DDBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000262687545 407902215 /nfs/dbraw/zinc/90/22/15/407902215.db2.gz YJALAXDJSGEUES-UWVGGRQHSA-N 0 1 307.306 1.328 20 5 DDBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000262687545 407902220 /nfs/dbraw/zinc/90/22/20/407902220.db2.gz YJALAXDJSGEUES-UWVGGRQHSA-N 0 1 307.306 1.328 20 5 DDBDMN CC(=O)NC[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272446057 407924789 /nfs/dbraw/zinc/92/47/89/407924789.db2.gz ABANRSVBFMPCJR-LLVKDONJSA-N 0 1 321.333 1.289 20 5 DDBDMN CCN(CC)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189555461 408049450 /nfs/dbraw/zinc/04/94/50/408049450.db2.gz WTVLDKNVGAVOQV-UHFFFAOYSA-N 0 1 315.395 1.752 20 5 DDBDMN COc1cc(CN[C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000189349566 408008712 /nfs/dbraw/zinc/00/87/12/408008712.db2.gz SCGOMUBRHJZLAY-UONOGXRCSA-N 0 1 310.350 1.861 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000268381947 408020592 /nfs/dbraw/zinc/02/05/92/408020592.db2.gz NSSPWWBCRSPLCE-KOLCDFICSA-N 0 1 318.337 1.546 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)NC1(c2nnc[nH]2)CCC1 ZINC000190379031 408232099 /nfs/dbraw/zinc/23/20/99/408232099.db2.gz IZZVNUCHEFIIEX-UHFFFAOYSA-N 0 1 317.305 1.287 20 5 DDBDMN Cc1cccc(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176199553 408307673 /nfs/dbraw/zinc/30/76/73/408307673.db2.gz RMQGQEKAXNONNW-UHFFFAOYSA-N 0 1 315.377 1.922 20 5 DDBDMN CC[C@H](CO)N1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645955 408371953 /nfs/dbraw/zinc/37/19/53/408371953.db2.gz KZSWYXZWCNFPMO-GDBMZVCRSA-N 0 1 323.393 1.017 20 5 DDBDMN O=C(NCCc1ncc[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172989634 162314841 /nfs/dbraw/zinc/31/48/41/162314841.db2.gz KCXBGULDRZQCHY-UHFFFAOYSA-N 0 1 300.278 1.167 20 5 DDBDMN Cc1nc([C@@H]2CN(Cc3csc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000173659750 162353842 /nfs/dbraw/zinc/35/38/42/162353842.db2.gz ZTKULRCRZSDDHZ-JTQLQIEISA-N 0 1 309.351 1.656 20 5 DDBDMN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nn[nH]n1 ZINC000183425772 408408823 /nfs/dbraw/zinc/40/88/23/408408823.db2.gz XTVORURDPCWPQJ-SSDOTTSWSA-N 0 1 324.728 1.637 20 5 DDBDMN O=C(NCCc1c[nH]c2ccc(F)cc12)c1n[nH]cc1[N+](=O)[O-] ZINC000160578847 408499374 /nfs/dbraw/zinc/49/93/74/408499374.db2.gz CODBZFZCSLBCRS-UHFFFAOYSA-N 0 1 317.280 1.911 20 5 DDBDMN COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000274727436 408511386 /nfs/dbraw/zinc/51/13/86/408511386.db2.gz AHYIZDFPTRBTDV-CBAPKCEASA-N 0 1 310.310 1.040 20 5 DDBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1=CC[N@@H+](C)CC1 ZINC000274939632 408570255 /nfs/dbraw/zinc/57/02/55/408570255.db2.gz PGNKWGADMNFJPH-JTQLQIEISA-N 0 1 305.334 1.681 20 5 DDBDMN CC[C@H](NCCNS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000177804265 408717876 /nfs/dbraw/zinc/71/78/76/408717876.db2.gz UWIMQMUCJQGEOY-ZDUSSCGKSA-N 0 1 315.395 1.575 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CCO)c2ccco2)c1 ZINC000185124673 408765047 /nfs/dbraw/zinc/76/50/47/408765047.db2.gz MQQJJFKFCHTZCQ-KBPBESRZSA-N 0 1 306.318 1.935 20 5 DDBDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000276305804 408833143 /nfs/dbraw/zinc/83/31/43/408833143.db2.gz WMTAHRVMDKLNQP-LNLATYFQSA-N 0 1 322.321 1.040 20 5 DDBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1nnc[nH]1 ZINC000276361287 408842592 /nfs/dbraw/zinc/84/25/92/408842592.db2.gz VWQICKYFJYEMNX-SSDOTTSWSA-N 0 1 311.323 1.290 20 5 DDBDMN Cc1c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000285953360 408895574 /nfs/dbraw/zinc/89/55/74/408895574.db2.gz WHZJGQCERZADPG-GJZGRUSLSA-N 0 1 319.361 1.448 20 5 DDBDMN O=C([O-])[C@H](C[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000277214935 408905877 /nfs/dbraw/zinc/90/58/77/408905877.db2.gz HLAWIAVZZQRFCP-AWEZNQCLSA-N 0 1 307.350 1.624 20 5 DDBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCN2CCCC2)c1 ZINC000191856515 163206081 /nfs/dbraw/zinc/20/60/81/163206081.db2.gz BUTROZOVZYDMTK-UHFFFAOYSA-N 0 1 313.379 1.110 20 5 DDBDMN COC(=O)[C@H](C)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000281800176 408931744 /nfs/dbraw/zinc/93/17/44/408931744.db2.gz MRQHCFIEQFQBMB-ZETCQYMHSA-N 0 1 306.278 1.105 20 5 DDBDMN CO[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281842915 408941050 /nfs/dbraw/zinc/94/10/50/408941050.db2.gz YPJZGIBJCQSNMP-GXFFZTMASA-N 0 1 307.350 1.693 20 5 DDBDMN CC[C@H](C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000277507845 408954961 /nfs/dbraw/zinc/95/49/61/408954961.db2.gz VZWCUCQMEWGWBK-BQBZGAKWSA-N 0 1 306.330 1.772 20 5 DDBDMN CCOC(=O)[C@@](C)(O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292131705 408987137 /nfs/dbraw/zinc/98/71/37/408987137.db2.gz LGVRPAAZJIZIAI-HNNXBMFYSA-N 0 1 310.350 1.734 20 5 DDBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000278039879 409055305 /nfs/dbraw/zinc/05/53/05/409055305.db2.gz ZHPIQYMZDXIKCU-HTQZYQBOSA-N 0 1 321.341 1.451 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CNC(=O)C2)C1 ZINC000278865666 409103844 /nfs/dbraw/zinc/10/38/44/409103844.db2.gz LRSGUBJFWFIMEE-HNNXBMFYSA-N 0 1 305.334 1.315 20 5 DDBDMN COC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279046101 409138284 /nfs/dbraw/zinc/13/82/84/409138284.db2.gz JZLWYVKJCWIUCT-JSGCOSHPSA-N 0 1 323.349 1.317 20 5 DDBDMN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000294184058 409256594 /nfs/dbraw/zinc/25/65/94/409256594.db2.gz PEORJGFOQZZQMN-INIZCTEOSA-N 0 1 319.361 1.858 20 5 DDBDMN CN(Cc1ccccn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295256181 409398669 /nfs/dbraw/zinc/39/86/69/409398669.db2.gz ZUCGFNDPNTZDAW-AWEZNQCLSA-N 0 1 317.345 1.862 20 5 DDBDMN Cc1cc(OCC(=O)NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280511371 409335324 /nfs/dbraw/zinc/33/53/24/409335324.db2.gz NEIAFKZFHSELPI-UHFFFAOYSA-N 0 1 319.361 1.660 20 5 DDBDMN Cc1cccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285350952 409411521 /nfs/dbraw/zinc/41/15/21/409411521.db2.gz ULYQQCFHADZPFB-ZIAGYGMSSA-N 0 1 319.361 1.448 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC=C(c3ccco3)C2)c1 ZINC000285405649 409432699 /nfs/dbraw/zinc/43/26/99/409432699.db2.gz UJPNDHOZOHRXAE-AWEZNQCLSA-N 0 1 318.333 1.535 20 5 DDBDMN C[C@]1(C(N)=O)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000280751891 409440246 /nfs/dbraw/zinc/44/02/46/409440246.db2.gz NJSKHLWOVPVUHQ-AWEZNQCLSA-N 0 1 304.306 1.433 20 5 DDBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@H](CO)O2)c(Cl)c1 ZINC000353700602 164124505 /nfs/dbraw/zinc/12/45/05/164124505.db2.gz DGZXQHRNIHHWQU-VXGBXAGGSA-N 0 1 300.742 1.878 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC12CCOCC2 ZINC000368957361 164163704 /nfs/dbraw/zinc/16/37/04/164163704.db2.gz BUVLMKQENWCZJG-UHFFFAOYSA-N 0 1 316.317 1.866 20 5 DDBDMN Cc1csc2c1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374834658 164174929 /nfs/dbraw/zinc/17/49/29/164174929.db2.gz BBGFOCOYFSSXJM-LBPRGKRZSA-N 0 1 322.390 1.580 20 5 DDBDMN Cc1csc2c1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374834658 164174930 /nfs/dbraw/zinc/17/49/30/164174930.db2.gz BBGFOCOYFSSXJM-LBPRGKRZSA-N 0 1 322.390 1.580 20 5 DDBDMN Cc1nc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)o1 ZINC000356726942 409553940 /nfs/dbraw/zinc/55/39/40/409553940.db2.gz LTWCLMCRVLBROK-UHFFFAOYSA-N 0 1 305.290 1.878 20 5 DDBDMN COc1c(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356728517 409554493 /nfs/dbraw/zinc/55/44/93/409554493.db2.gz FEOUQDHGNLNESO-ZYHUDNBSSA-N 0 1 307.350 1.816 20 5 DDBDMN CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000356802288 409620706 /nfs/dbraw/zinc/62/07/06/409620706.db2.gz JRLSSQVAZOVEDU-GFCCVEGCSA-N 0 1 305.334 1.609 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356897308 409703732 /nfs/dbraw/zinc/70/37/32/409703732.db2.gz ZNHDCVPMNGTDII-WDEREUQCSA-N 0 1 309.370 1.041 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356897308 409703740 /nfs/dbraw/zinc/70/37/40/409703740.db2.gz ZNHDCVPMNGTDII-WDEREUQCSA-N 0 1 309.370 1.041 20 5 DDBDMN CC[C@@H](C)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000296879109 409682334 /nfs/dbraw/zinc/68/23/34/409682334.db2.gz JCGWUGKOHMWXIK-LLVKDONJSA-N 0 1 323.397 1.998 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2nnc[nH]2)cc1OC ZINC000354178599 409725788 /nfs/dbraw/zinc/72/57/88/409725788.db2.gz GMHGIPOWNLZKTR-UHFFFAOYSA-N 0 1 321.293 1.050 20 5 DDBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])nn3C)[nH]c2c1 ZINC000356946493 409739801 /nfs/dbraw/zinc/73/98/01/409739801.db2.gz ZPUWMDIOKRKKDM-UHFFFAOYSA-N 0 1 314.305 1.443 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 ZINC000314802418 409830301 /nfs/dbraw/zinc/83/03/01/409830301.db2.gz VYTPVILQLLKWOU-KYZUINATSA-N 0 1 318.326 1.316 20 5 DDBDMN COc1ccc(CN[C@@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000315447430 409842977 /nfs/dbraw/zinc/84/29/77/409842977.db2.gz JZJHBTNYJFUQAA-GXSJLCMTSA-N 0 1 314.363 1.269 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000354504157 409903943 /nfs/dbraw/zinc/90/39/43/409903943.db2.gz RCKDATQIYBNHRT-UHFFFAOYSA-N 0 1 309.713 1.647 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000297851364 410022766 /nfs/dbraw/zinc/02/27/66/410022766.db2.gz SSZQGFOGCDYNOR-NSHDSACASA-N 0 1 307.354 1.938 20 5 DDBDMN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339191822 410068242 /nfs/dbraw/zinc/06/82/42/410068242.db2.gz ASNIXAZYIOXFNM-OCCSQVGLSA-N 0 1 321.377 1.595 20 5 DDBDMN CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000298529101 410275347 /nfs/dbraw/zinc/27/53/47/410275347.db2.gz VJSIOMCLOQAQGW-SNVBAGLBSA-N 0 1 308.338 1.252 20 5 DDBDMN CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000343555723 410530242 /nfs/dbraw/zinc/53/02/42/410530242.db2.gz FMKMHTSCLACJOZ-GFCCVEGCSA-N 0 1 307.350 1.905 20 5 DDBDMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347662141 410661222 /nfs/dbraw/zinc/66/12/22/410661222.db2.gz YYTVUFAVBCOGGT-NSHDSACASA-N 0 1 322.365 1.248 20 5 DDBDMN Cn1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000359457212 410671484 /nfs/dbraw/zinc/67/14/84/410671484.db2.gz IIUQBNLVCFPECB-UHFFFAOYSA-N 0 1 317.280 1.879 20 5 DDBDMN C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330579872 410793752 /nfs/dbraw/zinc/79/37/52/410793752.db2.gz IHOMCXCZHJJCMT-STQMWFEESA-N 0 1 320.393 1.948 20 5 DDBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000331113830 410957297 /nfs/dbraw/zinc/95/72/97/410957297.db2.gz KLEZGOFBZSBTEJ-MWLCHTKSSA-N 0 1 310.354 1.904 20 5 DDBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000331113831 410958206 /nfs/dbraw/zinc/95/82/06/410958206.db2.gz KLEZGOFBZSBTEJ-ONGXEEELSA-N 0 1 310.354 1.904 20 5 DDBDMN O=C(N[C@H](CO)c1c(F)cccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000356344545 410976781 /nfs/dbraw/zinc/97/67/81/410976781.db2.gz WYFYTPBEDLSZMZ-MRVPVSSYSA-N 0 1 312.232 1.060 20 5 DDBDMN NC(=O)c1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000360482755 418447280 /nfs/dbraw/zinc/44/72/80/418447280.db2.gz HTVNWZAGLKORFD-LBPRGKRZSA-N 0 1 302.334 1.144 20 5 DDBDMN NC(=O)c1ccc(N2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000192510220 418523861 /nfs/dbraw/zinc/52/38/61/418523861.db2.gz WWIRTXKAEIRAEB-GFCCVEGCSA-N 0 1 304.350 1.368 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000366910013 418535822 /nfs/dbraw/zinc/53/58/22/418535822.db2.gz ITDCZFOEFJGCFF-RTXFEEFZSA-N 0 1 309.753 1.478 20 5 DDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN2CCC1CC2 ZINC000374850426 418569984 /nfs/dbraw/zinc/56/99/84/418569984.db2.gz LYGKGXZJNFWNII-UHFFFAOYSA-N 0 1 308.313 1.236 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC(F)(F)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000291006448 222066810 /nfs/dbraw/zinc/06/68/10/222066810.db2.gz UJSCEWVUISJKSS-ZETCQYMHSA-N 0 1 302.281 1.998 20 5 DDBDMN C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194029882 222169906 /nfs/dbraw/zinc/16/99/06/222169906.db2.gz WWJXOVABXJYHRS-NSHDSACASA-N 0 1 322.365 1.690 20 5 DDBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000361658078 418697581 /nfs/dbraw/zinc/69/75/81/418697581.db2.gz XEWVWXRPWDWGSL-GXFFZTMASA-N 0 1 308.334 1.522 20 5 DDBDMN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000368158163 418697952 /nfs/dbraw/zinc/69/79/52/418697952.db2.gz GVDAHCUHRCQIEB-WZRBSPASSA-N 0 1 309.322 1.074 20 5 DDBDMN O=c1[nH]cnc2cc(NCCc3nc[nH]n3)c([N+](=O)[O-])cc12 ZINC000386113978 418738964 /nfs/dbraw/zinc/73/89/64/418738964.db2.gz PYKZSHNMDSGWBA-UHFFFAOYSA-N 0 1 301.266 1.016 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371446959 418791105 /nfs/dbraw/zinc/79/11/05/418791105.db2.gz IENKFCGEZMSPCE-OLZOCXBDSA-N 0 1 308.382 1.967 20 5 DDBDMN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000365417083 418858960 /nfs/dbraw/zinc/85/89/60/418858960.db2.gz MWVXQSNTVDUPGR-BYNSBNAKSA-N 0 1 312.329 1.510 20 5 DDBDMN O=C(NC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)C1CCC1 ZINC000365840865 418914875 /nfs/dbraw/zinc/91/48/75/418914875.db2.gz NZGWCEOEFURBLP-UHFFFAOYSA-N 0 1 321.381 1.172 20 5 DDBDMN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000425067075 228360193 /nfs/dbraw/zinc/36/01/93/228360193.db2.gz QMUHPSNKZPHADT-QMMMGPOBSA-N 0 1 321.724 1.996 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420950420 419379636 /nfs/dbraw/zinc/37/96/36/419379636.db2.gz WLNMYJIRUJFWIO-JHJVBQTASA-N 0 1 321.377 1.872 20 5 DDBDMN COc1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)nn1 ZINC000428330124 419848534 /nfs/dbraw/zinc/84/85/34/419848534.db2.gz BZWYJKDNLXPWGU-UHFFFAOYSA-N 0 1 306.278 1.720 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)N(CCO)C[C@@H]2C)n1 ZINC000418994795 420042240 /nfs/dbraw/zinc/04/22/40/420042240.db2.gz IEJFYMGDEXZMRF-STQMWFEESA-N 0 1 308.382 1.498 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000436734514 420360855 /nfs/dbraw/zinc/36/08/55/420360855.db2.gz DOGUBEJXTBKSLE-CYBMUJFWSA-N 0 1 307.350 1.713 20 5 DDBDMN O=C(NCc1c(F)cc(F)c(F)c1F)c1n[nH]cc1[N+](=O)[O-] ZINC000435916406 420293424 /nfs/dbraw/zinc/29/34/24/420293424.db2.gz VFBKHXZHVQGDAB-UHFFFAOYSA-N 0 1 318.186 1.804 20 5 DDBDMN CO[C@@H](CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000425470167 420392673 /nfs/dbraw/zinc/39/26/73/420392673.db2.gz FJOSAYSCCXYVJM-AWEZNQCLSA-N 0 1 306.366 1.537 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000456747406 420536867 /nfs/dbraw/zinc/53/68/67/420536867.db2.gz ZVYWIVOEGQGHLG-CQSZACIVSA-N 0 1 308.338 1.523 20 5 DDBDMN C[N@@H+](CCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000457169783 420627785 /nfs/dbraw/zinc/62/77/85/420627785.db2.gz PCPGOFAOYXVRHO-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000452577974 420630295 /nfs/dbraw/zinc/63/02/95/420630295.db2.gz JGURHPREYOAENY-NSHDSACASA-N 0 1 319.361 1.857 20 5 DDBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442668061 420697268 /nfs/dbraw/zinc/69/72/68/420697268.db2.gz BJKXENVPHVURAK-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](O)[C@H](CO)C2)o1 ZINC000459712823 420854917 /nfs/dbraw/zinc/85/49/17/420854917.db2.gz RTXHBDLSVLIVMA-NHYWBVRUSA-N 0 1 318.329 1.640 20 5 DDBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000489191165 421138136 /nfs/dbraw/zinc/13/81/36/421138136.db2.gz ALQBNLGKTGVBDY-HTQZYQBOSA-N 0 1 321.341 1.451 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](c3ccncc3)C2)c1[N+](=O)[O-] ZINC000560614397 421284875 /nfs/dbraw/zinc/28/48/75/421284875.db2.gz CUUNJKLXSJRTBM-LLVKDONJSA-N 0 1 301.306 1.651 20 5 DDBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000548408047 421435844 /nfs/dbraw/zinc/43/58/44/421435844.db2.gz FHXJSYIPSYCCTH-GFCCVEGCSA-N 0 1 315.333 1.322 20 5 DDBDMN CN(C)Cc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1F ZINC000555733741 421688947 /nfs/dbraw/zinc/68/89/47/421688947.db2.gz PPCQZEIYTIPWPK-UHFFFAOYSA-N 0 1 321.312 1.449 20 5 DDBDMN CC(C)OC[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000555427596 421678624 /nfs/dbraw/zinc/67/86/24/421678624.db2.gz CWROKLWRFMLIBO-AWEZNQCLSA-N 0 1 310.350 1.926 20 5 DDBDMN COC(=O)c1nc[nH]c1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000555514686 421680389 /nfs/dbraw/zinc/68/03/89/421680389.db2.gz DPJKNNIBXKUIDT-UHFFFAOYSA-N 0 1 304.262 1.665 20 5 DDBDMN CC1(C)CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000580901476 421861906 /nfs/dbraw/zinc/86/19/06/421861906.db2.gz VHMNZSUFYQWMLG-UHFFFAOYSA-N 0 1 321.377 1.822 20 5 DDBDMN C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575047970 422242987 /nfs/dbraw/zinc/24/29/87/422242987.db2.gz IAOPBVXYEOPRHX-MRVPVSSYSA-N 0 1 313.741 1.730 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000575047970 422242992 /nfs/dbraw/zinc/24/29/92/422242992.db2.gz IAOPBVXYEOPRHX-MRVPVSSYSA-N 0 1 313.741 1.730 20 5 DDBDMN Nc1nc2c(c(NCCc3cccc([N+](=O)[O-])c3)n1)CCCC2 ZINC000591925238 422328180 /nfs/dbraw/zinc/32/81/80/422328180.db2.gz NXNUXFSIEQKSDU-UHFFFAOYSA-N 0 1 313.361 1.922 20 5 DDBDMN CCN(CCNc1ccc(N)c([N+](=O)[O-])n1)CCC(F)(F)F ZINC000596210155 422370488 /nfs/dbraw/zinc/37/04/88/422370488.db2.gz KOGWWGWPXMPPMU-UHFFFAOYSA-N 0 1 321.303 2.258 20 5 DDBDMN CNC(=O)[C@@H](CCSC)NCc1ccc([N+](=O)[O-])cc1C ZINC000342321442 271375510 /nfs/dbraw/zinc/37/55/10/271375510.db2.gz WUONUGUBICLDTI-CYBMUJFWSA-N 0 1 311.407 1.861 20 5 DDBDMN CCOc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000343372067 271753791 /nfs/dbraw/zinc/75/37/91/271753791.db2.gz XBSKAZCRTGTWJB-QMMMGPOBSA-N 0 1 319.321 1.911 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)[C@@H](C)C1 ZINC000344425759 272023077 /nfs/dbraw/zinc/02/30/77/272023077.db2.gz OHMXTSWQVLRGSK-QWRGUYRKSA-N 0 1 309.370 1.041 20 5 DDBDMN CC1(C)C[C@H](NCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279008981 273589067 /nfs/dbraw/zinc/58/90/67/273589067.db2.gz GSFHKPGKJWHJCA-ZDUSSCGKSA-N 0 1 312.391 1.951 20 5 DDBDMN CC[C@H](C)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000296151650 273744272 /nfs/dbraw/zinc/74/42/72/273744272.db2.gz XYQJBSPDXZRQMZ-NSHDSACASA-N 0 1 306.366 1.614 20 5 DDBDMN C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](CN)C1 ZINC000420259024 274304750 /nfs/dbraw/zinc/30/47/50/274304750.db2.gz LFWPIJWBSCWJES-MWLCHTKSSA-N 0 1 317.349 1.807 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@](C)(C(N)=O)C(C)C ZINC000297698057 274723951 /nfs/dbraw/zinc/72/39/51/274723951.db2.gz QGGPTIXWNQTNCG-HNNXBMFYSA-N 0 1 322.365 1.331 20 5 DDBDMN CCOc1cccc(N2CCN(C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000273152699 276381205 /nfs/dbraw/zinc/38/12/05/276381205.db2.gz IGQHTGFELDVGAI-CHWSQXEVSA-N 0 1 323.393 1.885 20 5 DDBDMN CNc1nc(C(=O)N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000455657624 277044993 /nfs/dbraw/zinc/04/49/93/277044993.db2.gz DILMAMPINKGBRY-SNVBAGLBSA-N 0 1 307.354 1.198 20 5 DDBDMN C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)C1 ZINC000293617911 277160011 /nfs/dbraw/zinc/16/00/11/277160011.db2.gz DIFDDXMDVZTURX-OAHLLOKOSA-N 0 1 305.334 1.468 20 5 DDBDMN Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000368673053 301071893 /nfs/dbraw/zinc/07/18/93/301071893.db2.gz PRXNAGTYOMBRTA-BFHYXJOUSA-N 0 1 306.366 1.546 20 5 DDBDMN O=C1NCCCC[C@@H]1N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012306 301119543 /nfs/dbraw/zinc/11/95/43/301119543.db2.gz UWTKDQWGXVZDII-AAEUAGOBSA-N 0 1 307.354 1.097 20 5 DDBDMN C[NH+](C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccco1 ZINC000355540976 306808306 /nfs/dbraw/zinc/80/83/06/306808306.db2.gz AAHJCNBXOYMXRR-LLVKDONJSA-N 0 1 319.317 1.926 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000377767456 302229404 /nfs/dbraw/zinc/22/94/04/302229404.db2.gz MWILFINXCYXDFK-UONOGXRCSA-N 0 1 306.366 1.825 20 5 DDBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000378309416 302310457 /nfs/dbraw/zinc/31/04/57/302310457.db2.gz NMPNACBVFKBMSX-SECBINFHSA-N 0 1 304.281 1.744 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000378648244 302349013 /nfs/dbraw/zinc/34/90/13/302349013.db2.gz SCXRKBYWRFSEHP-FVCCEPFGSA-N 0 1 304.302 1.169 20 5 DDBDMN COc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1 ZINC000444498638 302393996 /nfs/dbraw/zinc/39/39/96/302393996.db2.gz MFFRHIOXHYUDPO-UHFFFAOYSA-N 0 1 303.274 1.634 20 5 DDBDMN CC[C@H]1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531026001 303225925 /nfs/dbraw/zinc/22/59/25/303225925.db2.gz SHBZZADJFVZNDX-SMDDNHRTSA-N 0 1 317.345 1.959 20 5 DDBDMN Cc1n[nH]cc1-c1nnc(NC(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000549741961 303617558 /nfs/dbraw/zinc/61/75/58/303617558.db2.gz QRWVFFXZHKQLME-UHFFFAOYSA-N 0 1 320.294 1.120 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1 ZINC000126845685 304797860 /nfs/dbraw/zinc/79/78/60/304797860.db2.gz FRBOZKQXIQCOAS-SECBINFHSA-N 0 1 317.342 1.154 20 5 DDBDMN COc1ccccc1N1CC[C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000363370565 307027058 /nfs/dbraw/zinc/02/70/58/307027058.db2.gz LCHJZCTWEXCBJA-DYEKYZERSA-N 0 1 319.361 1.303 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ccccc2CO)CC1 ZINC000364791397 307051299 /nfs/dbraw/zinc/05/12/99/307051299.db2.gz OECQDCAVAXAYDY-HUUCEWRRSA-N 0 1 304.346 1.550 20 5 DDBDMN CN(C(=O)[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1)c1ccccc1 ZINC000366754340 307080472 /nfs/dbraw/zinc/08/04/72/307080472.db2.gz BYQDSPRRCOUJHP-KWCYVHTRSA-N 0 1 317.345 1.163 20 5 DDBDMN O=C(NC[C@@H]1OCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000367194324 307088821 /nfs/dbraw/zinc/08/88/21/307088821.db2.gz BXEITVBEUCANAE-LBPRGKRZSA-N 0 1 302.290 1.362 20 5 DDBDMN Nc1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000371917157 307160190 /nfs/dbraw/zinc/16/01/90/307160190.db2.gz ACCSIXAGMIPWID-UHFFFAOYSA-N 0 1 316.321 1.315 20 5 DDBDMN CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000573705986 308249728 /nfs/dbraw/zinc/24/97/28/308249728.db2.gz KWTPKWXLRUFQKN-NSHDSACASA-N 0 1 322.365 1.642 20 5 DDBDMN CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000573705986 308249730 /nfs/dbraw/zinc/24/97/30/308249730.db2.gz KWTPKWXLRUFQKN-NSHDSACASA-N 0 1 322.365 1.642 20 5 DDBDMN CS(=O)(=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576649284 308330196 /nfs/dbraw/zinc/33/01/96/308330196.db2.gz ZSYXQEAKGPRYRG-LBPRGKRZSA-N 0 1 310.375 1.749 20 5 DDBDMN C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000576945923 308351694 /nfs/dbraw/zinc/35/16/94/308351694.db2.gz DFMAQTKLLJYPEI-JTQLQIEISA-N 0 1 324.337 1.068 20 5 DDBDMN CO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)[O-])C1 ZINC000577296725 308378315 /nfs/dbraw/zinc/37/83/15/308378315.db2.gz LPJCLXFBDHAQRZ-UONOGXRCSA-N 0 1 324.333 1.538 20 5 DDBDMN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncn[nH]1 ZINC000582392143 326023845 /nfs/dbraw/zinc/02/38/45/326023845.db2.gz NMTLPEZKXMEFKJ-UHFFFAOYSA-N 0 1 300.278 1.167 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/nfs/dbraw/zinc/03/79/23/915037923.db2.gz PYNYZETVCIPJRF-VXGBXAGGSA-N 0 1 313.398 1.443 20 5 DDBDMN COc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])cc1F ZINC001295206501 915650226 /nfs/dbraw/zinc/65/02/26/915650226.db2.gz KYSKSSIFTGLDOB-ZCFIWIBFSA-N 0 1 309.257 1.352 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000294971456 529465878 /nfs/dbraw/zinc/46/58/78/529465878.db2.gz YVJRUQWPSHDRRY-HNNXBMFYSA-N 0 1 324.381 1.751 20 5 DDBDMN C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000153598502 290649243 /nfs/dbraw/zinc/64/92/43/290649243.db2.gz ADOJPIGHSMAIRZ-JYBZGJHDSA-N 0 1 307.325 1.956 20 5 DDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCC[C@H]1O ZINC000305806502 529984635 /nfs/dbraw/zinc/98/46/35/529984635.db2.gz KCGGJXJDSFVEFN-UKRRQHHQSA-N 0 1 321.377 1.677 20 5 DDBDMN CC[C@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000616689427 362780001 /nfs/dbraw/zinc/78/00/01/362780001.db2.gz ATZVSGXMQMDMBF-AWEZNQCLSA-N 0 1 304.306 1.770 20 5 DDBDMN COCCN1CCCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000048428790 352539984 /nfs/dbraw/zinc/53/99/84/352539984.db2.gz OHZROAPWCNSCHH-UHFFFAOYSA-N 0 1 321.377 1.698 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000564738608 304011376 /nfs/dbraw/zinc/01/13/76/304011376.db2.gz HYAXCCVRHDRSRJ-OAHLLOKOSA-N 0 1 324.333 1.397 20 5 DDBDMN COc1cc(C(=O)Nc2nnc(C)[nH]2)cc([N+](=O)[O-])c1OC ZINC000265980747 186346917 /nfs/dbraw/zinc/34/69/17/186346917.db2.gz YTOKATWUBMXJDL-UHFFFAOYSA-N 0 1 307.266 1.291 20 5 DDBDMN COc1cc(C(=O)Nc2nc(C)n[nH]2)cc([N+](=O)[O-])c1OC ZINC000265980747 186346918 /nfs/dbraw/zinc/34/69/18/186346918.db2.gz YTOKATWUBMXJDL-UHFFFAOYSA-N 0 1 307.266 1.291 20 5 DDBDMN C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000026856603 352211900 /nfs/dbraw/zinc/21/19/00/352211900.db2.gz BYCIUNDCWTZVPV-QMMMGPOBSA-N 0 1 321.786 1.477 20 5 DDBDMN CC(C)CN1CCO[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000028013114 352225969 /nfs/dbraw/zinc/22/59/69/352225969.db2.gz VKVRQILRABDBTC-CYBMUJFWSA-N 0 1 321.377 1.681 20 5 DDBDMN O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000045055803 352400806 /nfs/dbraw/zinc/40/08/06/352400806.db2.gz IGTKCOLWLCAPFG-ZIAGYGMSSA-N 0 1 302.330 1.773 20 5 DDBDMN O=[N+]([O-])c1c(N2CCN(CC3CC3)CC2)nc2sccn21 ZINC000052472566 352612456 /nfs/dbraw/zinc/61/24/56/352612456.db2.gz CYCKCBIXINYTHG-UHFFFAOYSA-N 0 1 307.379 1.836 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000052531045 352615161 /nfs/dbraw/zinc/61/51/61/352615161.db2.gz PLAFNIAZWQCCPH-IINYFYTJSA-N 0 1 303.293 1.857 20 5 DDBDMN O=C(NCCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000053449611 352656062 /nfs/dbraw/zinc/65/60/62/352656062.db2.gz HRLYUAWYTPTBPI-UHFFFAOYSA-N 0 1 307.350 1.437 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@H]2CCC[C@@H]21 ZINC000056195778 352763683 /nfs/dbraw/zinc/76/36/83/352763683.db2.gz VZVWFMZIXCCJJN-STQMWFEESA-N 0 1 316.317 1.865 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000056458486 352773789 /nfs/dbraw/zinc/77/37/89/352773789.db2.gz JXBBOQGNAGDTSA-WOPDTQHZSA-N 0 1 319.365 1.333 20 5 DDBDMN C[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491577355 234207300 /nfs/dbraw/zinc/20/73/00/234207300.db2.gz VRKSHLLSOWRYBQ-DUMNWFOQSA-N 0 1 307.325 1.910 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C2CCCC2)CC1 ZINC000068181682 353093950 /nfs/dbraw/zinc/09/39/50/353093950.db2.gz UYDMFVWOUOALDO-UHFFFAOYSA-N 0 1 321.381 1.187 20 5 DDBDMN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331986638 234353752 /nfs/dbraw/zinc/35/37/52/234353752.db2.gz UIERKPPMYSOKHU-HIFRSBDPSA-N 0 1 320.345 1.870 20 5 DDBDMN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092659926 353865764 /nfs/dbraw/zinc/86/57/64/353865764.db2.gz YPOPGVRUYUZNCI-NSHDSACASA-N 0 1 307.350 1.778 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]CC2)s1 ZINC000592386822 355572876 /nfs/dbraw/zinc/57/28/76/355572876.db2.gz ADYGKIRUNGDTPM-QMMMGPOBSA-N 0 1 305.381 1.077 20 5 DDBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830166 355705724 /nfs/dbraw/zinc/70/57/24/355705724.db2.gz CRMZEGHEZVEMRW-GFCCVEGCSA-N 0 1 307.350 1.857 20 5 DDBDMN CC1(C)C[N@H+](CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000592970826 355758553 /nfs/dbraw/zinc/75/85/53/355758553.db2.gz DDPYLPFBZMUJDX-UHFFFAOYSA-N 0 1 323.349 1.816 20 5 DDBDMN CC1(C)C[N@@H+](CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000592970826 355758556 /nfs/dbraw/zinc/75/85/56/355758556.db2.gz DDPYLPFBZMUJDX-UHFFFAOYSA-N 0 1 323.349 1.816 20 5 DDBDMN Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978175 355761135 /nfs/dbraw/zinc/76/11/35/355761135.db2.gz UWGHZSQHTYEXSL-GWCFXTLKSA-N 0 1 323.349 1.732 20 5 DDBDMN Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978175 355761139 /nfs/dbraw/zinc/76/11/39/355761139.db2.gz UWGHZSQHTYEXSL-GWCFXTLKSA-N 0 1 323.349 1.732 20 5 DDBDMN CCn1cc(CN(CCn2ccc([N+](=O)[O-])n2)C(C)C)cn1 ZINC000593083069 355790277 /nfs/dbraw/zinc/79/02/77/355790277.db2.gz YNSHOEIAANQNHW-UHFFFAOYSA-N 0 1 306.370 1.918 20 5 DDBDMN O=C(CCN1C[C@@H]2C[C@H]1C[S@@]2=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593100115 355796553 /nfs/dbraw/zinc/79/65/53/355796553.db2.gz CYJCOOKSANJNCT-MZFXBISCSA-N 0 1 323.374 1.129 20 5 DDBDMN Cc1cccc(N2CCN(Cc3nnc[nH]3)CC2)c1[N+](=O)[O-] ZINC000593508608 355908283 /nfs/dbraw/zinc/90/82/83/355908283.db2.gz STBPFFRFICUTTJ-UHFFFAOYSA-N 0 1 302.338 1.344 20 5 DDBDMN CCc1nc([C@@H](C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000594685854 356284127 /nfs/dbraw/zinc/28/41/27/356284127.db2.gz ZQFJIDVXPRZANX-MRVPVSSYSA-N 0 1 310.335 1.810 20 5 DDBDMN CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757171 356309103 /nfs/dbraw/zinc/30/91/03/356309103.db2.gz NCHGKXZLPZTOPC-VHSXEESVSA-N 0 1 317.367 1.065 20 5 DDBDMN C[C@@H]1SCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594797695 356320668 /nfs/dbraw/zinc/32/06/68/356320668.db2.gz YABAJEKZFBXDPM-JGVFFNPUSA-N 0 1 303.365 1.162 20 5 DDBDMN CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000081527545 192283864 /nfs/dbraw/zinc/28/38/64/192283864.db2.gz TXNAAEADHMYQQJ-QWRGUYRKSA-N 0 1 322.365 1.236 20 5 DDBDMN CNC(=O)[C@H](C)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000081556903 192291221 /nfs/dbraw/zinc/29/12/21/192291221.db2.gz CABBOCAVYDNVGV-SNVBAGLBSA-N 0 1 323.349 1.275 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595783695 356651000 /nfs/dbraw/zinc/65/10/00/356651000.db2.gz TUGAFEPBEBQCTE-QWHCGFSZSA-N 0 1 319.361 1.735 20 5 DDBDMN Cc1c(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000595885645 356691035 /nfs/dbraw/zinc/69/10/35/356691035.db2.gz QYJRPOSZJJOGAM-IUODEOHRSA-N 0 1 306.318 1.436 20 5 DDBDMN CC(C)CN1CCO[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596058040 356756116 /nfs/dbraw/zinc/75/61/16/356756116.db2.gz BICKTEPHYLVGCW-LLVKDONJSA-N 0 1 310.354 1.464 20 5 DDBDMN COc1cc(NC[C@@H](C)N2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000596103292 356773088 /nfs/dbraw/zinc/77/30/88/356773088.db2.gz CZSRNBNOFLGYDA-CYBMUJFWSA-N 0 1 322.409 1.960 20 5 DDBDMN C[C@@H](CN1CCN(C)CC1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596124582 356782524 /nfs/dbraw/zinc/78/25/24/356782524.db2.gz ZFPZINVOHHATHV-JTQLQIEISA-N 0 1 313.789 1.113 20 5 DDBDMN COCc1nc(CNc2cc(OC)c(C)cc2[N+](=O)[O-])n[nH]1 ZINC000596435051 356879759 /nfs/dbraw/zinc/87/97/59/356879759.db2.gz ABMDYJYGNIXQKK-UHFFFAOYSA-N 0 1 307.310 1.788 20 5 DDBDMN COCc1nnc(CNc2cc(OC)c(C)cc2[N+](=O)[O-])[nH]1 ZINC000596435051 356879760 /nfs/dbraw/zinc/87/97/60/356879760.db2.gz ABMDYJYGNIXQKK-UHFFFAOYSA-N 0 1 307.310 1.788 20 5 DDBDMN CN1CC2(C1)CCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000597572839 357233984 /nfs/dbraw/zinc/23/39/84/357233984.db2.gz UGTSTQIYQIAEQU-UHFFFAOYSA-N 0 1 319.317 1.101 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN3CCN2CCC3)c1 ZINC000597623878 357260484 /nfs/dbraw/zinc/26/04/84/357260484.db2.gz CXXGIUJKUFBBPN-CYBMUJFWSA-N 0 1 318.377 1.023 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000597857622 357359855 /nfs/dbraw/zinc/35/98/55/357359855.db2.gz GZEPIZWQQZRRFM-SNVBAGLBSA-N 0 1 307.350 1.903 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597858788 357361381 /nfs/dbraw/zinc/36/13/81/357361381.db2.gz PABMNAKWDROZKN-NSHDSACASA-N 0 1 307.350 1.903 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](O)C(F)(F)C2)c1[N+](=O)[O-] ZINC000598002200 357419234 /nfs/dbraw/zinc/41/92/34/357419234.db2.gz XFYFBOBTXWTYDQ-MRVPVSSYSA-N 0 1 318.280 1.113 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000598112541 357464979 /nfs/dbraw/zinc/46/49/79/357464979.db2.gz JGEWUPHTPHRFMC-RKDXNWHRSA-N 0 1 308.338 1.568 20 5 DDBDMN CSc1cccc(C(=O)N(C)Cc2n[nH]c(=O)o2)c1[N+](=O)[O-] ZINC000598745199 357713222 /nfs/dbraw/zinc/71/32/22/357713222.db2.gz LJRHHOWTPQKYOC-UHFFFAOYSA-N 0 1 324.318 1.678 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC(C)(C)C2)n1 ZINC000599287068 357875715 /nfs/dbraw/zinc/87/57/15/357875715.db2.gz HGTDONUIZKZHST-VIFPVBQESA-N 0 1 316.383 1.575 20 5 DDBDMN CC(C)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000599349909 357904973 /nfs/dbraw/zinc/90/49/73/357904973.db2.gz PUOMGZNUXXLJKP-SNVBAGLBSA-N 0 1 302.356 1.041 20 5 DDBDMN CC(C)(NC(=O)NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000599932289 358084582 /nfs/dbraw/zinc/08/45/82/358084582.db2.gz QXSDPCTUOPRBLF-LBPRGKRZSA-N 0 1 322.365 1.118 20 5 DDBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cn[nH]n1 ZINC000600176528 358147287 /nfs/dbraw/zinc/14/72/87/358147287.db2.gz IVXOAGDLPYJVDX-SECBINFHSA-N 0 1 304.310 1.220 20 5 DDBDMN CC(C)[C@@H](CO)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000180615619 199184820 /nfs/dbraw/zinc/18/48/20/199184820.db2.gz XVVLIJGTQZEQEV-GFCCVEGCSA-N 0 1 306.322 1.751 20 5 DDBDMN COc1ccc(CNC2CN(c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000601158165 358425678 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20 5 DDBDMN C[C@@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246065773 408131973 /nfs/dbraw/zinc/13/19/73/408131973.db2.gz RYCBUHZMEQVJRW-JHJVBQTASA-N 0 1 321.377 1.881 20 5 DDBDMN Nc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000190363452 408229704 /nfs/dbraw/zinc/22/97/04/408229704.db2.gz ZXTFOTSJMPPUFW-UHFFFAOYSA-N 0 1 302.294 1.104 20 5 DDBDMN C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+]1CCCCC1 ZINC000182917907 408283065 /nfs/dbraw/zinc/28/30/65/408283065.db2.gz RYXFUGOVBPYYQW-NSHDSACASA-N 0 1 322.365 1.690 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000248452207 408571285 /nfs/dbraw/zinc/57/12/85/408571285.db2.gz GHMCDFNLTWMIHI-ZWNOBZJWSA-N 0 1 307.350 1.713 20 5 DDBDMN CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000248471368 408577713 /nfs/dbraw/zinc/57/77/13/408577713.db2.gz IUXAYNOREIBQIP-ZWNOBZJWSA-N 0 1 307.350 1.759 20 5 DDBDMN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270886217 408724867 /nfs/dbraw/zinc/72/48/67/408724867.db2.gz PREJIJJGUSIZCM-PRHODGIISA-N 0 1 322.296 1.699 20 5 DDBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](O)CC1 ZINC000275945150 408726990 /nfs/dbraw/zinc/72/69/90/408726990.db2.gz PFEIJCYBEHXPIW-HOMQSWHASA-N 0 1 318.333 1.847 20 5 DDBDMN COC(=O)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000276517773 408873919 /nfs/dbraw/zinc/87/39/19/408873919.db2.gz BYJXWCBQWUWPGQ-ZANVPECISA-N 0 1 322.317 1.572 20 5 DDBDMN C[C@H](CO)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000276184966 408824471 /nfs/dbraw/zinc/82/44/71/408824471.db2.gz KUUOSNRVLYCABC-ZJUUUORDSA-N 0 1 302.758 1.812 20 5 DDBDMN Cc1ncc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000276367211 408843581 /nfs/dbraw/zinc/84/35/81/408843581.db2.gz QHDIQSKPTAFPIW-UHFFFAOYSA-N 0 1 302.290 1.530 20 5 DDBDMN CSc1cccc(C(=O)N[C@@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000188181420 163044227 /nfs/dbraw/zinc/04/42/27/163044227.db2.gz SCUYJDKCZCCWIQ-ZETCQYMHSA-N 0 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COC(=O)[C@@H](CC(F)F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356724918 409552745 /nfs/dbraw/zinc/55/27/45/409552745.db2.gz HYRCEIZZWXQSNB-SECBINFHSA-N 0 1 318.232 1.227 20 5 DDBDMN COc1c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000356728516 409554028 /nfs/dbraw/zinc/55/40/28/409554028.db2.gz FEOUQDHGNLNESO-PWSUYJOCSA-N 0 1 307.350 1.816 20 5 DDBDMN O=C(NCCc1cnccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342421169 409616874 /nfs/dbraw/zinc/61/68/74/409616874.db2.gz CSTVJYHLIFXDIU-UHFFFAOYSA-N 0 1 312.289 1.234 20 5 DDBDMN C[C@H](C(=O)NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000349126632 409708688 /nfs/dbraw/zinc/70/86/88/409708688.db2.gz HCJNCRYLPNXLOZ-QMMMGPOBSA-N 0 1 307.285 1.314 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000357029291 409808187 /nfs/dbraw/zinc/80/81/87/409808187.db2.gz CSFDTOJKCUYDAP-QWHCGFSZSA-N 0 1 320.393 1.866 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)CC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000346144802 409818566 /nfs/dbraw/zinc/81/85/66/409818566.db2.gz YAGWDXAKGAFCBS-SNVBAGLBSA-N 0 1 310.354 1.912 20 5 DDBDMN CCc1nc(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)n[nH]1 ZINC000357676423 410182934 /nfs/dbraw/zinc/18/29/34/410182934.db2.gz UDSHGLGGTFVHDL-UHFFFAOYSA-N 0 1 305.342 1.393 20 5 DDBDMN CCc1nnc(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)[nH]1 ZINC000357676423 410182941 /nfs/dbraw/zinc/18/29/41/410182941.db2.gz UDSHGLGGTFVHDL-UHFFFAOYSA-N 0 1 305.342 1.393 20 5 DDBDMN CC(C)N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298339226 410185929 /nfs/dbraw/zinc/18/59/29/410185929.db2.gz MCIDCXCHRRDPNU-UHFFFAOYSA-N 0 1 307.350 1.526 20 5 DDBDMN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000339628530 410341549 /nfs/dbraw/zinc/34/15/49/410341549.db2.gz ZLZULTAGWZBONX-NSHDSACASA-N 0 1 307.350 1.187 20 5 DDBDMN O=C(NCCCO[C@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000298823283 410411388 /nfs/dbraw/zinc/41/13/88/410411388.db2.gz BGKFKLOTVGTQMW-AWEZNQCLSA-N 0 1 324.333 1.964 20 5 DDBDMN C[C@@H](NC[C@@H]1CS(=O)(=O)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000358306749 410445593 /nfs/dbraw/zinc/44/55/93/410445593.db2.gz PXCPMHXRPKVUMB-ZWNOBZJWSA-N 0 1 314.363 1.059 20 5 DDBDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000343613032 410569581 /nfs/dbraw/zinc/56/95/81/410569581.db2.gz QNMUYXFVRSHMGA-NSHDSACASA-N 0 1 307.350 1.905 20 5 DDBDMN C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000330586577 410800039 /nfs/dbraw/zinc/80/00/39/410800039.db2.gz LSOFUORHDRJYCT-STQMWFEESA-N 0 1 320.393 1.582 20 5 DDBDMN CCOc1ccc(C(=O)N2CCc3[nH]nnc3C2)cc1[N+](=O)[O-] ZINC000359746180 410850259 /nfs/dbraw/zinc/85/02/59/410850259.db2.gz USWZMCYHFSSFDT-UHFFFAOYSA-N 0 1 317.305 1.310 20 5 DDBDMN Cc1cccnc1C(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000359688682 410817466 /nfs/dbraw/zinc/81/74/66/410817466.db2.gz ZOFFRQGBUPAPML-UHFFFAOYSA-N 0 1 303.322 1.729 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344032848 410908271 /nfs/dbraw/zinc/90/82/71/410908271.db2.gz DXYADTZBPRABOV-BVIHXZOGSA-N 0 1 319.361 1.625 20 5 DDBDMN C[C@@H]([NH3+])C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571560836 304470669 /nfs/dbraw/zinc/47/06/69/304470669.db2.gz HPFCJQXUCAOEFO-HTQZYQBOSA-N 0 1 321.786 1.652 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000373737043 418454958 /nfs/dbraw/zinc/45/49/58/418454958.db2.gz FMRWXBWBEOBUHG-AEGPPILISA-N 0 1 303.362 1.989 20 5 DDBDMN C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000366856858 418527527 /nfs/dbraw/zinc/52/75/27/418527527.db2.gz ZUHQTUBJMFYNLW-ADEWGFFLSA-N 0 1 316.317 1.449 20 5 DDBDMN Cc1ccc(OC2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000374702971 418556775 /nfs/dbraw/zinc/55/67/75/418556775.db2.gz TZMDRCXUMMQGPB-STQMWFEESA-N 0 1 305.334 1.425 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)Nc2ncn(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000345741040 418636940 /nfs/dbraw/zinc/63/69/40/418636940.db2.gz SQEBATBFHGQMKY-UHFFFAOYSA-N 0 1 321.341 2.040 20 5 DDBDMN COc1cc(CNc2nccc(N(C)C)n2)cc([N+](=O)[O-])c1O ZINC000361639777 418695492 /nfs/dbraw/zinc/69/54/92/418695492.db2.gz LMQXECAUHNZAAX-UHFFFAOYSA-N 0 1 319.321 1.777 20 5 DDBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182338 418791377 /nfs/dbraw/zinc/79/13/77/418791377.db2.gz JJSXAAJFPIDZKI-NWDGAFQWSA-N 0 1 306.366 1.632 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC(OCC3CC3)CC2)c1[N+](=O)[O-] ZINC000365628065 418885403 /nfs/dbraw/zinc/88/54/03/418885403.db2.gz MZOFXLZBUPZIBW-UHFFFAOYSA-N 0 1 322.365 1.912 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@](O)(C2CC2)C1 ZINC000365840937 418915359 /nfs/dbraw/zinc/91/53/59/418915359.db2.gz XBJOLLCGFALCMQ-MEDUHNTESA-N 0 1 319.361 1.769 20 5 DDBDMN NC1(c2noc(Cn3ccc(=O)c([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424343535 228259648 /nfs/dbraw/zinc/25/96/48/228259648.db2.gz JUMWGRBFARFFJC-UHFFFAOYSA-N 0 1 319.321 1.306 20 5 DDBDMN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1CCO ZINC000426481027 419483341 /nfs/dbraw/zinc/48/33/41/419483341.db2.gz DKKVTVPHBPZAMK-NSHDSACASA-N 0 1 313.785 1.747 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@]12CCOC2 ZINC000421010950 419448701 /nfs/dbraw/zinc/44/87/01/419448701.db2.gz DBFUSZYEFKYTHY-WFASDCNBSA-N 0 1 308.334 1.199 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCCO[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000412443821 419757082 /nfs/dbraw/zinc/75/70/82/419757082.db2.gz FJTZLPMPQFPRTM-VIFPVBQESA-N 0 1 314.317 1.642 20 5 DDBDMN CN(C)c1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000427905540 419767569 /nfs/dbraw/zinc/76/75/69/419767569.db2.gz PQRJECAZSPOHNM-UHFFFAOYSA-N 0 1 316.317 1.691 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000422051912 419825202 /nfs/dbraw/zinc/82/52/02/419825202.db2.gz DSDNJCAUWMQWST-SNVBAGLBSA-N 0 1 310.354 1.505 20 5 DDBDMN Cc1ccc(NC(=O)C(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000415820170 420189802 /nfs/dbraw/zinc/18/98/02/420189802.db2.gz AJZOWFTUWIJJBY-UHFFFAOYSA-N 0 1 320.349 1.052 20 5 DDBDMN C[C@H]1CCCC[N@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591238 420325190 /nfs/dbraw/zinc/32/51/90/420325190.db2.gz XFYVQFMHHMEAGA-NSHDSACASA-N 0 1 306.366 1.980 20 5 DDBDMN CC(C)[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CCN1C ZINC000420613906 420332132 /nfs/dbraw/zinc/33/21/32/420332132.db2.gz UPGZTDIQWAYYGE-CYBMUJFWSA-N 0 1 306.366 1.470 20 5 DDBDMN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC000301989010 230023400 /nfs/dbraw/zinc/02/34/00/230023400.db2.gz LUIPKXFAHTZMTI-UHFFFAOYSA-N 0 1 320.328 1.483 20 5 DDBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(N)n2)cnn1[C@@H]1CCOC1 ZINC000450787111 420530185 /nfs/dbraw/zinc/53/01/85/420530185.db2.gz BQEWVWBARRZJBH-MRVPVSSYSA-N 0 1 305.298 1.177 20 5 DDBDMN CO[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000452889085 420675519 /nfs/dbraw/zinc/67/55/19/420675519.db2.gz PTKRMJHNNKUXJS-ZANVPECISA-N 0 1 318.333 1.968 20 5 DDBDMN CCO[C@@H]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@H]1C ZINC000452833527 420668731 /nfs/dbraw/zinc/66/87/31/420668731.db2.gz PPVKSQGOJWSJJL-MWLCHTKSSA-N 0 1 310.354 1.767 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C[C@H](C)O)C[C@H]2C)n1 ZINC000444830512 420758541 /nfs/dbraw/zinc/75/85/41/420758541.db2.gz WNTPDWJZGCATNH-OLZOCXBDSA-N 0 1 308.382 1.498 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCOc3c(F)cccc3C2)c1[N+](=O)[O-] ZINC000447866265 420808338 /nfs/dbraw/zinc/80/83/38/420808338.db2.gz PFKJTDYLUJFHIP-UHFFFAOYSA-N 0 1 320.280 1.800 20 5 DDBDMN C[C@@H]1[C@H](CO)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725756 421108460 /nfs/dbraw/zinc/10/84/60/421108460.db2.gz BDKBKHIBIKDFHE-NEPJUHHUSA-N 0 1 307.350 1.260 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000560563344 421280883 /nfs/dbraw/zinc/28/08/83/421280883.db2.gz VXLKPEJLPBYFGK-LBPRGKRZSA-N 0 1 318.337 1.583 20 5 DDBDMN CC(C)(C)OC(=O)NCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000496913706 421336975 /nfs/dbraw/zinc/33/69/75/421336975.db2.gz ULUCEHUESKWAMY-NXEZZACHSA-N 0 1 314.338 1.500 20 5 DDBDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000572012901 421759741 /nfs/dbraw/zinc/75/97/41/421759741.db2.gz YQJLZZZPROARBO-NSHDSACASA-N 0 1 302.334 1.855 20 5 DDBDMN CC(C)(C)OCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000521820996 421799619 /nfs/dbraw/zinc/79/96/19/421799619.db2.gz OMMLFJLLJUANDG-UHFFFAOYSA-N 0 1 308.382 1.927 20 5 DDBDMN CCN1CCC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587415712 422313888 /nfs/dbraw/zinc/31/38/88/422313888.db2.gz CXVPGNLHSLTFFC-JTQLQIEISA-N 0 1 317.349 2.140 20 5 DDBDMN CCOCC[C@@H](O)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579228183 422727993 /nfs/dbraw/zinc/72/79/93/422727993.db2.gz CFEOJQVHIMYLMD-LLVKDONJSA-N 0 1 308.338 1.348 20 5 DDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000578900600 422670000 /nfs/dbraw/zinc/67/00/00/422670000.db2.gz SVNBVPSSGZFZDR-SWLSCSKDSA-N 0 1 324.333 1.131 20 5 DDBDMN Cc1cc(N2C[C@H](CO)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317429035 271022405 /nfs/dbraw/zinc/02/24/05/271022405.db2.gz LKIGLMRSWBPABP-MEBBXXQBSA-N 0 1 303.318 1.241 20 5 DDBDMN COc1ccc(CN[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000341464469 271081849 /nfs/dbraw/zinc/08/18/49/271081849.db2.gz OZSMADLUARRGQS-LLVKDONJSA-N 0 1 307.350 1.704 20 5 DDBDMN COC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000342352624 271384541 /nfs/dbraw/zinc/38/45/41/271384541.db2.gz YIXNLHLQWMXMHC-AWEZNQCLSA-N 0 1 308.313 1.908 20 5 DDBDMN COC1(c2ccccc2)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000344138495 271955439 /nfs/dbraw/zinc/95/54/39/271955439.db2.gz NNYBOTYEMZBIRJ-UHFFFAOYSA-N 0 1 316.317 1.624 20 5 DDBDMN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000346043133 272397211 /nfs/dbraw/zinc/39/72/11/272397211.db2.gz WHQYVIQUOHIUSZ-UHFFFAOYSA-N 0 1 317.305 1.067 20 5 DDBDMN C[C@@H]1CN(CCO)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450953398 274348840 /nfs/dbraw/zinc/34/88/40/274348840.db2.gz KSILNOSYEAUHGU-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1 ZINC000194396700 275035617 /nfs/dbraw/zinc/03/56/17/275035617.db2.gz JZHHLDLMVDCUEV-JTQLQIEISA-N 0 1 318.293 1.199 20 5 DDBDMN CCN(CCC(=O)OC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269368984 279175987 /nfs/dbraw/zinc/17/59/87/279175987.db2.gz LKFSQGTUVDCUQP-UHFFFAOYSA-N 0 1 312.326 1.467 20 5 DDBDMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180048435 280012364 /nfs/dbraw/zinc/01/23/64/280012364.db2.gz LYUROYPXZVVNMN-ZDUSSCGKSA-N 0 1 307.350 1.713 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC000274990534 290156309 /nfs/dbraw/zinc/15/63/09/290156309.db2.gz YVTSWQHEOJSUCI-ZWNOBZJWSA-N 0 1 305.334 1.467 20 5 DDBDMN C[C@@H]1CN[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000129771967 297113957 /nfs/dbraw/zinc/11/39/57/297113957.db2.gz PKXHEHYMDVYVOM-DTWKUNHWSA-N 0 1 317.342 1.105 20 5 DDBDMN Cc1nc(N2CCN([C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000362200657 300027722 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1.559 20 5 DDBDMN COc1ccc(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000370288651 301310122 /nfs/dbraw/zinc/31/01/22/301310122.db2.gz OMQMPQYJGMOWTK-OLZOCXBDSA-N 0 1 319.361 1.846 20 5 DDBDMN CC(C)(NC(=O)[C@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000370362414 301324414 /nfs/dbraw/zinc/32/44/14/301324414.db2.gz WMBHYEXAMPYPQB-RYUDHWBXSA-N 0 1 315.333 1.284 20 5 DDBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2nc[nH]c2C1 ZINC000376752964 302098468 /nfs/dbraw/zinc/09/84/68/302098468.db2.gz VRSIVCUMYSNZFY-JTQLQIEISA-N 0 1 301.306 1.997 20 5 DDBDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000398742308 302361807 /nfs/dbraw/zinc/36/18/07/302361807.db2.gz WSYVZWMTDHNUPR-WDEREUQCSA-N 0 1 307.350 1.144 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCc2[nH]nnc2C1 ZINC000362216533 307015423 /nfs/dbraw/zinc/01/54/23/307015423.db2.gz UVEZAHBZTSPXOM-UHFFFAOYSA-N 0 1 315.333 1.837 20 5 DDBDMN O=C(NCc1noc(-c2ccccc2F)n1)[C@H]1CC1[N+](=O)[O-] ZINC000366160382 307068691 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Cc1cc(N2CC(C)(C(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000566160889 308046559 /nfs/dbraw/zinc/04/65/59/308046559.db2.gz REIJNONIBFNZDU-UHFFFAOYSA-N 0 1 300.318 1.763 20 5 DDBDMN Cc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000567681479 308089217 /nfs/dbraw/zinc/08/92/17/308089217.db2.gz SUSYMBMTXONFDB-GFCCVEGCSA-N 0 1 307.306 1.421 20 5 DDBDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576357347 308309355 /nfs/dbraw/zinc/30/93/55/308309355.db2.gz LBOFBSJPRDEXFE-NSHDSACASA-N 0 1 318.333 1.692 20 5 DDBDMN C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417989 308313392 /nfs/dbraw/zinc/31/33/92/308313392.db2.gz JABILEHYQLUWAJ-DOMZBBRYSA-N 0 1 320.393 1.060 20 5 DDBDMN C[C@@H](C(=O)NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417989 308313394 /nfs/dbraw/zinc/31/33/94/308313394.db2.gz JABILEHYQLUWAJ-DOMZBBRYSA-N 0 1 320.393 1.060 20 5 DDBDMN CO[C@@H]1C[C@H](CC(=O)[O-])[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000577380670 308383951 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C[C@@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828473009 601812920 /nfs/dbraw/zinc/81/29/20/601812920.db2.gz UJKTWRJEJWXPLL-BXKDBHETSA-N 0 1 304.306 1.555 20 5 DDBDMN Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888180 602324018 /nfs/dbraw/zinc/32/40/18/602324018.db2.gz FTWKUCZRPXPZRK-OLZOCXBDSA-N 0 1 321.333 1.121 20 5 DDBDMN C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739186595 602785706 /nfs/dbraw/zinc/78/57/06/602785706.db2.gz SZFFRSAMMHVIRI-VXGBXAGGSA-N 0 1 323.349 1.952 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])C[C@H]21 ZINC000834180304 605328233 /nfs/dbraw/zinc/32/82/33/605328233.db2.gz KAYRAJASYUMCRC-GMTAPVOTSA-N 0 1 309.326 1.117 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@H]21 ZINC000834180304 605328239 /nfs/dbraw/zinc/32/82/39/605328239.db2.gz KAYRAJASYUMCRC-GMTAPVOTSA-N 0 1 309.326 1.117 20 5 DDBDMN O=C([O-])N1CCC2(CC[N@H+](Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000834092665 605863924 /nfs/dbraw/zinc/86/39/24/605863924.db2.gz WJRIGPKFYAHRHQ-UHFFFAOYSA-N 0 1 309.326 1.215 20 5 DDBDMN O=C([O-])N1CCC2(CC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)CC1 ZINC000834092665 605863927 /nfs/dbraw/zinc/86/39/27/605863927.db2.gz WJRIGPKFYAHRHQ-UHFFFAOYSA-N 0 1 309.326 1.215 20 5 DDBDMN C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000824648613 608666677 /nfs/dbraw/zinc/66/66/77/608666677.db2.gz HJBUECWYOBWISS-ZCFIWIBFSA-N 0 1 301.270 1.066 20 5 DDBDMN Cc1cc(F)cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1[N+](=O)[O-] ZINC000124232877 696740838 /nfs/dbraw/zinc/74/08/38/696740838.db2.gz VXWQREWNKPDGLQ-QMMMGPOBSA-N 0 1 322.300 1.431 20 5 DDBDMN CN(CCOC(=O)CCc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000151170581 696881178 /nfs/dbraw/zinc/88/11/78/696881178.db2.gz LIGZZPZOLIDKHP-UHFFFAOYSA-N 0 1 319.321 1.325 20 5 DDBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)N1 ZINC000153492512 696916566 /nfs/dbraw/zinc/91/65/66/696916566.db2.gz QZECBQHPLKTJRD-QWRGUYRKSA-N 0 1 306.366 1.483 20 5 DDBDMN Cc1nn(CN2CC[C@@H](CN3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000172935822 697373649 /nfs/dbraw/zinc/37/36/49/697373649.db2.gz ADXVKJGQELSQLX-AWEZNQCLSA-N 0 1 323.397 1.020 20 5 DDBDMN COCCO[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000179333388 697436378 /nfs/dbraw/zinc/43/63/78/697436378.db2.gz SYZLMZACQIPKTC-CVEARBPZSA-N 0 1 324.377 1.756 20 5 DDBDMN C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000750015509 700198861 /nfs/dbraw/zinc/19/88/61/700198861.db2.gz WXUJVMKJKQOKKC-LBPRGKRZSA-N 0 1 306.366 1.194 20 5 DDBDMN CC(C)C(=O)NCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596662 698124700 /nfs/dbraw/zinc/12/47/00/698124700.db2.gz HKDQJZHPLPYYDN-CQSZACIVSA-N 0 1 309.366 1.332 20 5 DDBDMN C[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000778295283 698258112 /nfs/dbraw/zinc/25/81/12/698258112.db2.gz RQVSCGNWAQOHDX-ZETCQYMHSA-N 0 1 311.248 1.682 20 5 DDBDMN CC(C)c1n[nH]c(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000795369365 699862085 /nfs/dbraw/zinc/86/20/85/699862085.db2.gz HXSWYCMPGAZQFB-UHFFFAOYSA-N 0 1 322.325 1.511 20 5 DDBDMN CC(C)c1nc(COC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000795369365 699862087 /nfs/dbraw/zinc/86/20/87/699862087.db2.gz HXSWYCMPGAZQFB-UHFFFAOYSA-N 0 1 322.325 1.511 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C)[C@H](C)C1 ZINC000761067603 700838072 /nfs/dbraw/zinc/83/80/72/700838072.db2.gz FYWYKDJWQKISFF-VXGBXAGGSA-N 0 1 306.366 1.558 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)[C@@H](C)C1 ZINC000761079111 700840624 /nfs/dbraw/zinc/84/06/24/700840624.db2.gz PSULDHKXYGXESO-LBPRGKRZSA-N 0 1 306.366 1.478 20 5 DDBDMN O=C(Nc1cccc(N2CCCNC2=O)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839692335 701786250 /nfs/dbraw/zinc/78/62/50/701786250.db2.gz SNMRJISKDVQQLR-VXGBXAGGSA-N 0 1 304.306 1.210 20 5 DDBDMN COC(=O)COc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839726691 701798805 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1.139 20 5 DDBDMN Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC000840672008 702195778 /nfs/dbraw/zinc/19/57/78/702195778.db2.gz IHQATBKMPVNHTI-HLUHBDAQSA-N 0 1 310.281 1.670 20 5 DDBDMN Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000840672356 702195924 /nfs/dbraw/zinc/19/59/24/702195924.db2.gz PCTHXBYZUZHNCS-NQBHXWOUSA-N 0 1 306.318 1.839 20 5 DDBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCC[C@@H](C)C1 ZINC000840673003 702196831 /nfs/dbraw/zinc/19/68/31/702196831.db2.gz PPTIGNGVEBQUHJ-LPWJVIDDSA-N 0 1 312.366 1.478 20 5 DDBDMN CC(C)C[C@H](C(N)=O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000840680505 702201778 /nfs/dbraw/zinc/20/17/78/702201778.db2.gz JIHMZLNOMODJIC-LLVKDONJSA-N 0 1 310.306 1.491 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N(C)CCN2CC3(C2)CCOCC3)n1 ZINC000866256978 706659207 /nfs/dbraw/zinc/65/92/07/706659207.db2.gz DKUFNFBASRTSMN-UHFFFAOYSA-N 0 1 320.393 1.847 20 5 DDBDMN CNC(=O)[C@@H]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000817370097 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/nfs/dbraw/zinc/36/45/60/299364560.db2.gz TUGLBTVMYDIDHR-ZDUSSCGKSA-N 0 1 323.397 1.399 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000264675708 204071957 /nfs/dbraw/zinc/07/19/57/204071957.db2.gz NJQPREXYZTUGOQ-UHFFFAOYSA-N 0 1 321.381 1.438 20 5 DDBDMN CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000264821338 204183957 /nfs/dbraw/zinc/18/39/57/204183957.db2.gz XUCLYZWBXHSKLE-GFCCVEGCSA-N 0 1 315.377 1.801 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000265039524 204359294 /nfs/dbraw/zinc/35/92/94/204359294.db2.gz YNTMFLGDPRSYRK-UHFFFAOYSA-N 0 1 319.361 1.670 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(C2CCC2)CC1 ZINC000265077297 204382329 /nfs/dbraw/zinc/38/23/29/204382329.db2.gz PJYNSRBSPDQQMX-UHFFFAOYSA-N 0 1 306.322 1.006 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000266180486 205164577 /nfs/dbraw/zinc/16/45/77/205164577.db2.gz LAAQGACYZNMLED-DTWKUNHWSA-N 0 1 304.306 1.626 20 5 DDBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)CN1CCOCC1 ZINC000267660626 206202881 /nfs/dbraw/zinc/20/28/81/206202881.db2.gz ZKFPPDTWCDGLCT-UONOGXRCSA-N 0 1 323.393 1.281 20 5 DDBDMN Cc1cc(N(C)CCOCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000336862782 249270634 /nfs/dbraw/zinc/27/06/34/249270634.db2.gz GZNWSXTYZLADMA-UHFFFAOYSA-N 0 1 305.334 1.897 20 5 DDBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)N(C)C1 ZINC000284569737 218081988 /nfs/dbraw/zinc/08/19/88/218081988.db2.gz HRZFEQSRBSLGQL-KBPBESRZSA-N 0 1 321.377 1.694 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N(CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352468814 285073207 /nfs/dbraw/zinc/07/32/07/285073207.db2.gz VBJDIYPMSQTOLY-LBPRGKRZSA-N 0 1 321.377 1.935 20 5 DDBDMN COCC[C@@H]1CCCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000331691165 285142996 /nfs/dbraw/zinc/14/29/96/285142996.db2.gz XBSAPSAFJYLDIV-NSHDSACASA-N 0 1 310.354 1.905 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000158535020 197281447 /nfs/dbraw/zinc/28/14/47/197281447.db2.gz QOIRSGJYUOULSK-GXSJLCMTSA-N 0 1 318.326 1.316 20 5 DDBDMN O=C(NCCCSc1ccccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000352589936 285161149 /nfs/dbraw/zinc/16/11/49/285161149.db2.gz KPRYTXVOVMYHIV-UHFFFAOYSA-N 0 1 307.335 1.625 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568066299 304266069 /nfs/dbraw/zinc/26/60/69/304266069.db2.gz WNXWIKRLCQWHBE-NWDGAFQWSA-N 0 1 324.333 1.131 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](CO)CC1 ZINC000294697940 224175151 /nfs/dbraw/zinc/17/51/51/224175151.db2.gz XBOWVNOUNRCEMO-JTQLQIEISA-N 0 1 318.333 1.706 20 5 DDBDMN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120824618 195244962 /nfs/dbraw/zinc/24/49/62/195244962.db2.gz ISKSAPBSEQVQAI-LLVKDONJSA-N 0 1 322.365 1.546 20 5 DDBDMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000120824618 195244963 /nfs/dbraw/zinc/24/49/63/195244963.db2.gz ISKSAPBSEQVQAI-LLVKDONJSA-N 0 1 322.365 1.546 20 5 DDBDMN Cc1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000414146201 224305183 /nfs/dbraw/zinc/30/51/83/224305183.db2.gz QCQYUENHUCPSGY-CQSZACIVSA-N 0 1 323.393 1.199 20 5 DDBDMN O=C(NCCc1nc2ccccc2[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000121974222 195384164 /nfs/dbraw/zinc/38/41/64/195384164.db2.gz ZTWROHDTKDKVQZ-UHFFFAOYSA-N 0 1 300.278 1.167 20 5 DDBDMN COC(=O)[C@H](CC1CC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412525592 533252180 /nfs/dbraw/zinc/25/21/80/533252180.db2.gz SYURIWUPCJFHNO-LBPRGKRZSA-N 0 1 308.290 1.372 20 5 DDBDMN Cc1n[n-]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299461915 533665475 /nfs/dbraw/zinc/66/54/75/533665475.db2.gz ZVIGWQNDFHVQEV-VIFPVBQESA-N 0 1 323.378 1.721 20 5 DDBDMN Cc1n[nH]c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000299461915 533665493 /nfs/dbraw/zinc/66/54/93/533665493.db2.gz ZVIGWQNDFHVQEV-VIFPVBQESA-N 0 1 323.378 1.721 20 5 DDBDMN NC(=O)c1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000360482752 299675572 /nfs/dbraw/zinc/67/55/72/299675572.db2.gz HTVNWZAGLKORFD-GFCCVEGCSA-N 0 1 302.334 1.144 20 5 DDBDMN COCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000026450232 406904825 /nfs/dbraw/zinc/90/48/25/406904825.db2.gz JOJYPJAYVTVHJL-UHFFFAOYSA-N 0 1 309.366 1.798 20 5 DDBDMN O=C(NC[C@@H]1CCCC[C@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000077162065 406979146 /nfs/dbraw/zinc/97/91/46/406979146.db2.gz VDFVJXMPZKWRQB-TVQRCGJNSA-N 0 1 318.333 1.752 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCc1nc[nH]n1 ZINC000122872267 407312929 /nfs/dbraw/zinc/31/29/29/407312929.db2.gz DSVKPBKNAYJPCB-UHFFFAOYSA-N 0 1 306.282 1.086 20 5 DDBDMN C[C@H](CN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000124234180 407352169 /nfs/dbraw/zinc/35/21/69/407352169.db2.gz GHOIKENVMWYLRW-SSDOTTSWSA-N 0 1 324.728 1.637 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H]2CC(=O)OC)c1[N+](=O)[O-] ZINC000179145261 407737171 /nfs/dbraw/zinc/73/71/71/407737171.db2.gz DBGDQTBFQYYNBU-SECBINFHSA-N 0 1 324.337 1.438 20 5 DDBDMN COCCNc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153088681 407750563 /nfs/dbraw/zinc/75/05/63/407750563.db2.gz GUOPAZBBLHIHPT-UHFFFAOYSA-N 0 1 319.321 1.306 20 5 DDBDMN CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133390849 407837282 /nfs/dbraw/zinc/83/72/82/407837282.db2.gz SHIMSYHFUQHDMF-CYBMUJFWSA-N 0 1 307.350 1.713 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CCO)[C@H](C)C1 ZINC000187681835 407876284 /nfs/dbraw/zinc/87/62/84/407876284.db2.gz GAVVBQOOGJOHDK-KGLIPLIRSA-N 0 1 307.394 1.963 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000262611509 407881729 /nfs/dbraw/zinc/88/17/29/407881729.db2.gz BYHWMXMKTLIGAP-NSHDSACASA-N 0 1 321.333 1.638 20 5 DDBDMN C[C@H](NCC(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180434775 407889362 /nfs/dbraw/zinc/88/93/62/407889362.db2.gz YKXDVIOMBYDKBE-JTQLQIEISA-N 0 1 322.365 1.870 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000118107033 407891123 /nfs/dbraw/zinc/89/11/23/407891123.db2.gz KIBXOIJXNGMCCE-GFCCVEGCSA-N 0 1 320.349 1.052 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000153770678 407897838 /nfs/dbraw/zinc/89/78/38/407897838.db2.gz RGUCPRBJQNBCNY-ZDUSSCGKSA-N 0 1 323.397 1.288 20 5 DDBDMN Cc1nc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)no1 ZINC000118646646 407928683 /nfs/dbraw/zinc/92/86/83/407928683.db2.gz SLUFFCZXXHAUAU-UHFFFAOYSA-N 0 1 302.250 1.093 20 5 DDBDMN Cc1ccc([C@@H](C)NCC(=O)NC2CCOCC2)cc1[N+](=O)[O-] ZINC000181832367 408043199 /nfs/dbraw/zinc/04/31/99/408043199.db2.gz ZODLZTVYKHNTOE-GFCCVEGCSA-N 0 1 321.377 1.849 20 5 DDBDMN Cc1ccc([C@H](C)NCC(=O)NC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000181821796 408044130 /nfs/dbraw/zinc/04/41/30/408044130.db2.gz JKYIFHZOXKKXGE-JTQLQIEISA-N 0 1 320.349 1.542 20 5 DDBDMN CC(C)[N@@H+](C)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000155604293 408185644 /nfs/dbraw/zinc/18/56/44/408185644.db2.gz HYSNCUWWFBGOFT-UHFFFAOYSA-N 0 1 319.358 1.352 20 5 DDBDMN Cc1nnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1C1CC1 ZINC000273564447 408250359 /nfs/dbraw/zinc/25/03/59/408250359.db2.gz ZAVLDHYBQCAQRV-UHFFFAOYSA-N 0 1 317.305 1.465 20 5 DDBDMN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190851721 408330584 /nfs/dbraw/zinc/33/05/84/408330584.db2.gz CPMRGUWYRXHPAV-NEPJUHHUSA-N 0 1 307.350 1.118 20 5 DDBDMN CCOC(=O)c1cc(NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000269332964 408271603 /nfs/dbraw/zinc/27/16/03/408271603.db2.gz NDKONTFGBLJQRY-UHFFFAOYSA-N 0 1 305.294 1.544 20 5 DDBDMN CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000190549894 408274986 /nfs/dbraw/zinc/27/49/86/408274986.db2.gz UNMWNJQGPXEHAF-QWRGUYRKSA-N 0 1 304.306 1.360 20 5 DDBDMN C[C@H](O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246641601 408310274 /nfs/dbraw/zinc/31/02/74/408310274.db2.gz FRZJXCDJLKYKBR-OLZOCXBDSA-N 0 1 321.377 1.051 20 5 DDBDMN COC(=O)[C@H](O)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183393252 306710759 /nfs/dbraw/zinc/71/07/59/306710759.db2.gz XDZBPPHIRZYYGO-OAHLLOKOSA-N 0 1 322.361 1.649 20 5 DDBDMN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000265496217 408673865 /nfs/dbraw/zinc/67/38/65/408673865.db2.gz HFDBJHWYIBPLQX-JTQLQIEISA-N 0 1 313.789 1.691 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000270738511 408661211 /nfs/dbraw/zinc/66/12/11/408661211.db2.gz KVXAGQXYUZWNAD-VIFPVBQESA-N 0 1 319.321 1.532 20 5 DDBDMN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000249207056 408703531 /nfs/dbraw/zinc/70/35/31/408703531.db2.gz RZNKRRCBRKISND-ZWKOPEQDSA-N 0 1 316.317 1.768 20 5 DDBDMN C[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249541356 408739003 /nfs/dbraw/zinc/73/90/03/408739003.db2.gz DZQTUDSYOUPWEN-IUODEOHRSA-N 0 1 321.377 1.950 20 5 DDBDMN Cc1c(CC(=O)N2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000162171263 408676504 /nfs/dbraw/zinc/67/65/04/408676504.db2.gz GZEQILLTIQNZKL-UHFFFAOYSA-N 0 1 317.389 2.000 20 5 DDBDMN CN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276134220 408822233 /nfs/dbraw/zinc/82/22/33/408822233.db2.gz BQFQEEXKUPHLOA-SNVBAGLBSA-N 0 1 313.379 1.362 20 5 DDBDMN CCOCCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276340072 408838768 /nfs/dbraw/zinc/83/87/68/408838768.db2.gz SZRWPANIHXQYNK-UHFFFAOYSA-N 0 1 311.357 1.888 20 5 DDBDMN Nc1c(C(=O)N2CCN3CCC2CC3)cc(F)cc1[N+](=O)[O-] ZINC000188834111 163071199 /nfs/dbraw/zinc/07/11/99/163071199.db2.gz YJSKPRIOMFVLRN-UHFFFAOYSA-N 0 1 308.313 1.236 20 5 DDBDMN C[NH+](C)CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194392818 163281715 /nfs/dbraw/zinc/28/17/15/163281715.db2.gz FWYDSWIDDUKNSO-UHFFFAOYSA-N 0 1 321.424 1.522 20 5 DDBDMN CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282825244 409064821 /nfs/dbraw/zinc/06/48/21/409064821.db2.gz YWTZTHYUIRYVLR-ZDUSSCGKSA-N 0 1 320.349 1.134 20 5 DDBDMN CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282825244 409064824 /nfs/dbraw/zinc/06/48/24/409064824.db2.gz YWTZTHYUIRYVLR-ZDUSSCGKSA-N 0 1 320.349 1.134 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000278436848 409083639 /nfs/dbraw/zinc/08/36/39/409083639.db2.gz DRXKMQWQDWZZNJ-VIFPVBQESA-N 0 1 304.310 1.292 20 5 DDBDMN Cc1cc(C)cc([C@@H](O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000283317476 409136010 /nfs/dbraw/zinc/13/60/10/409136010.db2.gz ZJJYMWREBLZSNV-LBPRGKRZSA-N 0 1 304.306 1.398 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000279254312 409179283 /nfs/dbraw/zinc/17/92/83/409179283.db2.gz ICNAKNGHZBWBDD-BXGCZWRVSA-N 0 1 324.337 1.035 20 5 DDBDMN COC(OC)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288807238 409182482 /nfs/dbraw/zinc/18/24/82/409182482.db2.gz GJATWKALTHMVBJ-SSDOTTSWSA-N 0 1 308.294 1.208 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000294300526 409275189 /nfs/dbraw/zinc/27/51/89/409275189.db2.gz SGTXTDOFEMCDIS-CYBMUJFWSA-N 0 1 320.349 1.658 20 5 DDBDMN C[C@@H](N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295225032 409386045 /nfs/dbraw/zinc/38/60/45/409386045.db2.gz WCUYLEZGANTFAM-LLVKDONJSA-N 0 1 309.366 1.649 20 5 DDBDMN Cc1cccc(C(=O)N[C@@H]2CCCN(CCCO)C2)c1[N+](=O)[O-] ZINC000295304706 409424226 /nfs/dbraw/zinc/42/42/26/409424226.db2.gz BGBLOPFIFJZDIP-CYBMUJFWSA-N 0 1 321.377 1.480 20 5 DDBDMN C[C@@]1(C(N)=O)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000280751904 409438871 /nfs/dbraw/zinc/43/88/71/409438871.db2.gz NJSKHLWOVPVUHQ-CQSZACIVSA-N 0 1 304.306 1.433 20 5 DDBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccccc1[N+](=O)[O-] ZINC000295339791 409443140 /nfs/dbraw/zinc/44/31/40/409443140.db2.gz DPDKKVZKOWWJOO-GFCCVEGCSA-N 0 1 307.350 1.171 20 5 DDBDMN NC(=O)c1cccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000342347647 409585954 /nfs/dbraw/zinc/58/59/54/409585954.db2.gz KFULXJDLJAKTTN-NSHDSACASA-N 0 1 302.334 1.144 20 5 DDBDMN O=C(NC[C@H]1CCC[C@H](O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000304318867 409605771 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DDBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCN1CCC1 ZINC000337661815 410926133 /nfs/dbraw/zinc/92/61/33/410926133.db2.gz RAJTXIOEPLKYHK-UHFFFAOYSA-N 0 1 320.393 1.922 20 5 DDBDMN C[C@@H]1[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000353854314 411136104 /nfs/dbraw/zinc/13/61/04/411136104.db2.gz IXQOLBAHXCJFOG-FJYXQWIHSA-N 0 1 310.375 1.773 20 5 DDBDMN C[C@@H](CCN1CCOCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356582191 298824658 /nfs/dbraw/zinc/82/46/58/298824658.db2.gz SDZXDHFZXOKEPX-NSHDSACASA-N 0 1 323.349 1.141 20 5 DDBDMN CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000133746788 196332955 /nfs/dbraw/zinc/33/29/55/196332955.db2.gz OCSRTRQFEWPVLW-SYLNSOGPSA-N 0 1 314.367 1.128 20 5 DDBDMN Nc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000367164319 418567385 /nfs/dbraw/zinc/56/73/85/418567385.db2.gz HSRWXJGJWICYJI-UKRRQHHQSA-N 0 1 306.366 1.212 20 5 DDBDMN C[C@H]1c2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044807 418572099 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C[C@@H]1CCN(C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439358395 420508600 /nfs/dbraw/zinc/50/86/00/420508600.db2.gz XXWWRZQHSXMRGG-LLVKDONJSA-N 0 1 320.349 1.086 20 5 DDBDMN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440431002 420575583 /nfs/dbraw/zinc/57/55/83/420575583.db2.gz GOFMRZFJKVNASA-UHFFFAOYSA-N 0 1 307.397 1.452 20 5 DDBDMN O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452930158 420682096 /nfs/dbraw/zinc/68/20/96/420682096.db2.gz MGMDJYWMGVSLPN-HUUCEWRRSA-N 0 1 320.345 1.827 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C[C@@H](C)O)C[C@H]2C)n1 ZINC000444830511 420760361 /nfs/dbraw/zinc/76/03/61/420760361.db2.gz WNTPDWJZGCATNH-CHWSQXEVSA-N 0 1 308.382 1.498 20 5 DDBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000444879410 420760388 /nfs/dbraw/zinc/76/03/88/420760388.db2.gz UCAWUFQEYKEQSC-UHFFFAOYSA-N 0 1 305.342 1.624 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)[C@@H]3CCCO3)nc2c1 ZINC000447913607 420816648 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CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000611615846 360776795 /nfs/dbraw/zinc/77/67/95/360776795.db2.gz CZVMGNLRQDKSFN-ZIAGYGMSSA-N 0 1 322.409 1.888 20 5 DDBDMN C[C@H](Cn1cccn1)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619743030 364137711 /nfs/dbraw/zinc/13/77/11/364137711.db2.gz SMIGJHWFPHXHAT-LLVKDONJSA-N 0 1 318.333 1.741 20 5 DDBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000359214670 299359353 /nfs/dbraw/zinc/35/93/53/299359353.db2.gz FCZBJYHOTPMTJF-GFCCVEGCSA-N 0 1 307.350 1.818 20 5 DDBDMN CCC[C@@H]1CNCCN1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000566206976 304129094 /nfs/dbraw/zinc/12/90/94/304129094.db2.gz JFSNFWMCAKLVNG-GFCCVEGCSA-N 0 1 306.366 1.851 20 5 DDBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1=CC[N@@H+](C)CC1 ZINC000274939634 296105234 /nfs/dbraw/zinc/10/52/34/296105234.db2.gz PGNKWGADMNFJPH-SNVBAGLBSA-N 0 1 305.334 1.681 20 5 DDBDMN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275131230 212140322 /nfs/dbraw/zinc/14/03/22/212140322.db2.gz KPVGMWDRQJCMAF-JTQLQIEISA-N 0 1 322.239 1.686 20 5 DDBDMN COc1ccc(OCC[N@H+]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262679801 203377253 /nfs/dbraw/zinc/37/72/53/203377253.db2.gz SGYKEFNCELQIAD-NSHDSACASA-N 0 1 324.333 1.779 20 5 DDBDMN COc1ccc(OCC[N@H+]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262690724 203382153 /nfs/dbraw/zinc/38/21/53/203382153.db2.gz ZEPNQIOZTKADBW-SNVBAGLBSA-N 0 1 310.306 1.389 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000282454002 217006000 /nfs/dbraw/zinc/00/60/00/217006000.db2.gz SQUJCOJJHNTABV-LBPRGKRZSA-N 0 1 322.365 1.107 20 5 DDBDMN CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000264781571 204149251 /nfs/dbraw/zinc/14/92/51/204149251.db2.gz QVFLFHLOONIBEF-LLVKDONJSA-N 0 1 309.326 1.161 20 5 DDBDMN COC(=O)c1nc[nH]c1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000567100839 304197617 /nfs/dbraw/zinc/19/76/17/304197617.db2.gz OEJHJDUTRFZVEQ-UHFFFAOYSA-N 0 1 318.289 1.594 20 5 DDBDMN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000171694597 248323343 /nfs/dbraw/zinc/32/33/43/248323343.db2.gz NRLGFJOABQUVQI-YPMHNXCESA-N 0 1 312.391 1.772 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337377692 249468218 /nfs/dbraw/zinc/46/82/18/249468218.db2.gz BVACXJHVOZRRKW-WCBMZHEXSA-N 0 1 304.297 1.968 20 5 DDBDMN CCOc1cccc(NC[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000273864024 211123951 /nfs/dbraw/zinc/12/39/51/211123951.db2.gz MXSPDKIUZDTJIL-LBPRGKRZSA-N 0 1 308.382 1.651 20 5 DDBDMN O=C(NCCN1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159761299 197362325 /nfs/dbraw/zinc/36/23/25/197362325.db2.gz NIQGWEBYTZZXPW-UHFFFAOYSA-N 0 1 315.333 1.106 20 5 DDBDMN C[C@@H](CO)[N@H+]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339116766 250301382 /nfs/dbraw/zinc/30/13/82/250301382.db2.gz BCWQEHFEBFOJOR-LBPRGKRZSA-N 0 1 309.366 1.189 20 5 DDBDMN CC[C@@H](Cn1cncn1)NCc1cc([N+](=O)[O-])ccc1OC ZINC000340518769 251094723 /nfs/dbraw/zinc/09/47/23/251094723.db2.gz WFZMRXFGSYOYEV-LBPRGKRZSA-N 0 1 305.338 1.763 20 5 DDBDMN CN1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000157112218 197163258 /nfs/dbraw/zinc/16/32/58/197163258.db2.gz YTZMFEFYPDBVCK-UHFFFAOYSA-N 0 1 317.342 1.106 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000419317801 533220797 /nfs/dbraw/zinc/22/07/97/533220797.db2.gz APMDUYWKCNIWBP-QWHCGFSZSA-N 0 1 323.393 1.490 20 5 DDBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(N)n2)cnn1C1CCOCC1 ZINC000294876126 224280255 /nfs/dbraw/zinc/28/02/55/224280255.db2.gz FLFBPRMHOPZKAK-UHFFFAOYSA-N 0 1 319.325 1.567 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CCC(n3ccnc3)CC2)c1[N+](=O)[O-] ZINC000332003027 533660967 /nfs/dbraw/zinc/66/09/67/533660967.db2.gz ZZWXHIGSGSXSQF-UHFFFAOYSA-N 0 1 304.310 1.300 20 5 DDBDMN CC[C@@H]1C[N@@H+](CC)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000569196494 304340387 /nfs/dbraw/zinc/34/03/87/304340387.db2.gz RNEKEUPDMGXBPY-CYBMUJFWSA-N 0 1 320.393 1.875 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000569196494 304340389 /nfs/dbraw/zinc/34/03/89/304340389.db2.gz RNEKEUPDMGXBPY-CYBMUJFWSA-N 0 1 320.393 1.875 20 5 DDBDMN CC1(C)[C@H](NCc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000569544252 304361227 /nfs/dbraw/zinc/36/12/27/304361227.db2.gz SCIKBNCVFSMJHG-OLZOCXBDSA-N 0 1 308.334 1.710 20 5 DDBDMN C[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N(C)C ZINC000037985882 406995859 /nfs/dbraw/zinc/99/58/59/406995859.db2.gz MCBCFVIRCMXNNQ-VIFPVBQESA-N 0 1 301.368 1.360 20 5 DDBDMN O=C(NCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000123092273 407319013 /nfs/dbraw/zinc/31/90/13/407319013.db2.gz NYLRACWRWBLHOJ-UHFFFAOYSA-N 0 1 308.338 1.301 20 5 DDBDMN CC[C@@H](O)CN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000123515237 407330472 /nfs/dbraw/zinc/33/04/72/407330472.db2.gz LBMOEWCCHVPDBI-OAHLLOKOSA-N 0 1 307.394 1.792 20 5 DDBDMN CC(C)N(CCN(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185981033 407556288 /nfs/dbraw/zinc/55/62/88/407556288.db2.gz IODZJVPJBMSSRF-UHFFFAOYSA-N 0 1 315.395 1.556 20 5 DDBDMN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000219648971 407531157 /nfs/dbraw/zinc/53/11/57/407531157.db2.gz OQNJKSFDMWCIMD-SSDOTTSWSA-N 0 1 311.323 1.290 20 5 DDBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000129283910 407600226 /nfs/dbraw/zinc/60/02/26/407600226.db2.gz ZGRJGHLIBQWKOJ-LLVKDONJSA-N 0 1 316.321 1.057 20 5 DDBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271262309 407602693 /nfs/dbraw/zinc/60/26/93/407602693.db2.gz MQRPVGGNBUXEPZ-RKDXNWHRSA-N 0 1 318.326 1.580 20 5 DDBDMN CC(C)(CC(N)=O)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000186227420 407613785 /nfs/dbraw/zinc/61/37/85/407613785.db2.gz LIMRREUNIOGOLU-UHFFFAOYSA-N 0 1 309.322 1.205 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN(CCC)CC2)c1[N+](=O)[O-] ZINC000171805471 407771491 /nfs/dbraw/zinc/77/14/91/407771491.db2.gz JZWIAFGTOURUAS-UHFFFAOYSA-N 0 1 309.370 1.438 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cn[nH]c1C ZINC000186786741 407770170 /nfs/dbraw/zinc/77/01/70/407770170.db2.gz SYDHLKUXGSVZHI-UHFFFAOYSA-N 0 1 305.294 1.957 20 5 DDBDMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133390654 407838913 /nfs/dbraw/zinc/83/89/13/407838913.db2.gz SHIMSYHFUQHDMF-ZDUSSCGKSA-N 0 1 307.350 1.713 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000262650835 407891119 /nfs/dbraw/zinc/89/11/19/407891119.db2.gz LHTXVJTWFHOEFZ-MFKMUULPSA-N 0 1 319.317 1.107 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272493317 407946578 /nfs/dbraw/zinc/94/65/78/407946578.db2.gz CPQSZZCAQHMBKT-HZMBPMFUSA-N 0 1 305.334 1.467 20 5 DDBDMN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1 ZINC000153906254 407929201 /nfs/dbraw/zinc/92/92/01/407929201.db2.gz WTYVCEBMPHOQAW-CHWSQXEVSA-N 0 1 320.393 1.996 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000269297610 408257021 /nfs/dbraw/zinc/25/70/21/408257021.db2.gz OMBCENJUCUBCAC-LDYMZIIASA-N 0 1 318.326 1.173 20 5 DDBDMN Nc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000268965235 408222367 /nfs/dbraw/zinc/22/23/67/408222367.db2.gz KKUMLIVIOZNFCV-NSHDSACASA-N 0 1 301.306 1.708 20 5 DDBDMN Nc1cc(N)nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000176933208 408479465 /nfs/dbraw/zinc/47/94/65/408479465.db2.gz OTLBWOJESNIPBK-UHFFFAOYSA-N 0 1 318.318 1.983 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000264456514 408497135 /nfs/dbraw/zinc/49/71/35/408497135.db2.gz DMGOSDSNEXQLDJ-ZDUSSCGKSA-N 0 1 307.350 1.354 20 5 DDBDMN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270727678 408656302 /nfs/dbraw/zinc/65/63/02/408656302.db2.gz FRHDRUQQKXAMRP-BXKDBHETSA-N 0 1 304.306 1.560 20 5 DDBDMN C[C@H](O)CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251950771 408790352 /nfs/dbraw/zinc/79/03/52/408790352.db2.gz VCEOYVBCGKHQMJ-OLZOCXBDSA-N 0 1 321.377 1.051 20 5 DDBDMN COc1cc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1C ZINC000163818617 408792027 /nfs/dbraw/zinc/79/20/27/408792027.db2.gz AKCYGJVNSWDWDA-UHFFFAOYSA-N 0 1 304.306 1.607 20 5 DDBDMN Cc1cc(OCC(=O)N2[C@H](C)CN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281760357 408926053 /nfs/dbraw/zinc/92/60/53/408926053.db2.gz SMXPQEIQVYPGGT-BETUJISGSA-N 0 1 321.377 1.833 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1=CCCOC1 ZINC000287394681 409030453 /nfs/dbraw/zinc/03/04/53/409030453.db2.gz KGLUBKLMHOIPIO-UHFFFAOYSA-N 0 1 316.310 1.359 20 5 DDBDMN C[C@H]1[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293870294 409197266 /nfs/dbraw/zinc/19/72/66/409197266.db2.gz IXQOLBAHXCJFOG-IKHFIWMDSA-N 0 1 310.375 1.773 20 5 DDBDMN CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCCN(C)C1 ZINC000279391720 409205212 /nfs/dbraw/zinc/20/52/12/409205212.db2.gz IUUSHJBBLNTUTD-VIFPVBQESA-N 0 1 310.329 1.482 20 5 DDBDMN Cc1c(C[N@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000284241253 409302811 /nfs/dbraw/zinc/30/28/11/409302811.db2.gz KWWRTCCLNNLOMS-GFCCVEGCSA-N 0 1 318.333 1.959 20 5 DDBDMN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+](C2CC2)C1 ZINC000295065030 409312200 /nfs/dbraw/zinc/31/22/00/409312200.db2.gz ZMCNUDVDDFHBEJ-SNVBAGLBSA-N 0 1 319.365 1.009 20 5 DDBDMN C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295241767 409392920 /nfs/dbraw/zinc/39/29/20/409392920.db2.gz PKMZTDOWVRGMSS-GFCCVEGCSA-N 0 1 312.366 1.285 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000297040041 409773818 /nfs/dbraw/zinc/77/38/18/409773818.db2.gz SQSXYSYMCIBAIJ-NSHDSACASA-N 0 1 309.370 1.042 20 5 DDBDMN COCCO[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000338278080 409863890 /nfs/dbraw/zinc/86/38/90/409863890.db2.gz HMVJSZGZLBXVOB-AWEZNQCLSA-N 0 1 324.333 1.568 20 5 DDBDMN C[N@H+]1CC[C@]2(CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000319682208 409896187 /nfs/dbraw/zinc/89/61/87/409896187.db2.gz QZWWOVMGLPVMEV-AWEZNQCLSA-N 0 1 306.322 1.220 20 5 DDBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C 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C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000833628675 605198198 /nfs/dbraw/zinc/19/81/98/605198198.db2.gz NNNJJUVBKHBADP-ZDUSSCGKSA-N 0 1 321.377 1.618 20 5 DDBDMN O=C([O-])N1CC[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000834080072 605331076 /nfs/dbraw/zinc/33/10/76/605331076.db2.gz ZWUNNMCCNJGQJA-NSHDSACASA-N 0 1 305.334 1.953 20 5 DDBDMN O=C(CC1=CCCCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973099219 695419718 /nfs/dbraw/zinc/41/97/18/695419718.db2.gz MJACHISFKMUWMY-AAVRWANBSA-N 0 1 321.377 1.306 20 5 DDBDMN CC[NH2+]CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157643413 696980091 /nfs/dbraw/zinc/98/00/91/696980091.db2.gz CEKOYRNHLKWSBB-UHFFFAOYSA-N 0 1 305.331 1.012 20 5 DDBDMN COc1cc(CNC[C@@](C)(O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000174529548 697389603 /nfs/dbraw/zinc/38/96/03/697389603.db2.gz KDCRGVDVWHWIBT-OAHLLOKOSA-N 0 1 322.317 1.899 20 5 DDBDMN CC(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1CCCCC1 ZINC000177793192 697417618 /nfs/dbraw/zinc/41/76/18/697417618.db2.gz ONZRPAKTTAJEPM-CQSZACIVSA-N 0 1 324.381 1.845 20 5 DDBDMN COc1cc(N2CCN(CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000750180942 700208200 /nfs/dbraw/zinc/20/82/00/700208200.db2.gz QEOHIZLUBJYJHK-UHFFFAOYSA-N 0 1 309.366 1.498 20 5 DDBDMN O=C(NCCc1nc[nH]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778293805 698257703 /nfs/dbraw/zinc/25/77/03/698257703.db2.gz HHPUVBGVSBRQET-UHFFFAOYSA-N 0 1 311.248 1.164 20 5 DDBDMN Nc1ncc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000262012312 698450323 /nfs/dbraw/zinc/45/03/23/698450323.db2.gz MIWMKIZPVAIMNE-UHFFFAOYSA-N 0 1 308.367 1.667 20 5 DDBDMN Cc1cc(C(=O)N2CCC3(CN(C)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000788203931 699290395 /nfs/dbraw/zinc/29/03/95/699290395.db2.gz YGZCUJFYMHXMSU-UHFFFAOYSA-N 0 1 304.350 1.263 20 5 DDBDMN CC(C)N1CCO[C@@H](COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789773062 699407810 /nfs/dbraw/zinc/40/78/10/699407810.db2.gz OFDHXLDMPNYZQZ-OAHLLOKOSA-N 0 1 322.361 1.790 20 5 DDBDMN CCc1cc(CNC(=O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000732791512 699570458 /nfs/dbraw/zinc/57/04/58/699570458.db2.gz BVENNENWVMERSO-UHFFFAOYSA-N 0 1 304.306 1.576 20 5 DDBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000793394434 699753976 /nfs/dbraw/zinc/75/39/76/699753976.db2.gz DBVOXVQMJFBXFW-UHFFFAOYSA-N 0 1 307.350 1.791 20 5 DDBDMN CCc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000756828595 700642883 /nfs/dbraw/zinc/64/28/83/700642883.db2.gz FDTUZLAXLQPIAQ-UHFFFAOYSA-N 0 1 304.306 1.819 20 5 DDBDMN COC(=O)C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000769506718 701247815 /nfs/dbraw/zinc/24/78/15/701247815.db2.gz AJWQJGGBBLCHNI-LBPRGKRZSA-N 0 1 308.290 1.372 20 5 DDBDMN CCc1nc(COC(=O)c2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC000769577853 701249325 /nfs/dbraw/zinc/24/93/25/701249325.db2.gz LIOCNAXNKWVLBC-UHFFFAOYSA-N 0 1 306.278 1.641 20 5 DDBDMN CN(CCc1cnccn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000770661351 701288748 /nfs/dbraw/zinc/28/87/48/701288748.db2.gz IJBLHUZXGNUKLJ-UHFFFAOYSA-N 0 1 312.333 1.867 20 5 DDBDMN NC(=O)C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000808227730 701509459 /nfs/dbraw/zinc/50/94/59/701509459.db2.gz CVNTUCVBWQKXFN-SNVBAGLBSA-N 0 1 303.322 1.099 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl ZINC000839696340 701787734 /nfs/dbraw/zinc/78/77/34/701787734.db2.gz QMZBKORTSXONIV-JHNVEQIOSA-N 0 1 316.716 1.682 20 5 DDBDMN COc1cccc([C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)c1 ZINC000839705012 701791161 /nfs/dbraw/zinc/79/11/61/701791161.db2.gz HSPZCZRSIRVESB-MGPQQGTHSA-N 0 1 306.318 1.260 20 5 DDBDMN COC(CCCC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839727440 701799824 /nfs/dbraw/zinc/79/98/24/701799824.db2.gz COIARUCTZLPCKL-GHMZBOCLSA-N 0 1 302.371 1.583 20 5 DDBDMN O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839770799 701819905 /nfs/dbraw/zinc/81/99/05/701819905.db2.gz MZUQCVSNOHYCGK-GMTAPVOTSA-N 0 1 318.251 1.520 20 5 DDBDMN Cc1nc([C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000840224009 702034699 /nfs/dbraw/zinc/03/46/99/702034699.db2.gz MPIMSLVPOUVBPZ-SSDOTTSWSA-N 0 1 324.268 1.844 20 5 DDBDMN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840355989 702081002 /nfs/dbraw/zinc/08/10/02/702081002.db2.gz WUBGOXOJUUDVSM-APIJFGDWSA-N 0 1 320.345 1.973 20 5 DDBDMN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840355990 702081052 /nfs/dbraw/zinc/08/10/52/702081052.db2.gz WUBGOXOJUUDVSM-KBXIAJHMSA-N 0 1 320.345 1.973 20 5 DDBDMN Cc1nc(C)n(-c2ccccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000840397227 702096581 /nfs/dbraw/zinc/09/65/81/702096581.db2.gz RYKPLQTWESHUHW-ZWNOBZJWSA-N 0 1 301.306 1.488 20 5 DDBDMN COc1c(C(=O)O[C@H](C)c2n[nH]c(C)n2)cccc1[N+](=O)[O-] ZINC000840537795 702146538 /nfs/dbraw/zinc/14/65/38/702146538.db2.gz JEZNRBBZSGXPSS-SSDOTTSWSA-N 0 1 306.278 1.948 20 5 DDBDMN O=C(OCc1ccc(Cl)cc1-n1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672905 702196793 /nfs/dbraw/zinc/19/67/93/702196793.db2.gz FEYXYOABXRQQFK-ZYHUDNBSSA-N 0 1 322.708 1.629 20 5 DDBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC1CCCCC1 ZINC000840672793 702197213 /nfs/dbraw/zinc/19/72/13/702197213.db2.gz OJEAUQHDYCBAKR-JHJVBQTASA-N 0 1 312.366 1.668 20 5 DDBDMN O=C(OCc1cn(Cc2ccccc2)nn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673606 702197949 /nfs/dbraw/zinc/19/79/49/702197949.db2.gz VALSLUWZTNZEOH-CHWSQXEVSA-N 0 1 302.290 1.035 20 5 DDBDMN CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844207545 702991838 /nfs/dbraw/zinc/99/18/38/702991838.db2.gz GFWMRYOSAYYJSG-CYBMUJFWSA-N 0 1 321.377 2.000 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459230 703034244 /nfs/dbraw/zinc/03/42/44/703034244.db2.gz QVQLWFUHUVBVCS-MXWKQRLJSA-N 0 1 314.288 1.531 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)CC1(N(C)C)CC1 ZINC000866517798 706718434 /nfs/dbraw/zinc/71/84/34/706718434.db2.gz MYXYZPQLQYUGIR-UHFFFAOYSA-N 0 1 314.363 1.706 20 5 DDBDMN C[C@H]([C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC000845882385 703212056 /nfs/dbraw/zinc/21/20/56/703212056.db2.gz UBZPNRZBOQFVEI-COYOAVQYSA-N 0 1 312.253 1.740 20 5 DDBDMN Cc1c(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000846283718 703261467 /nfs/dbraw/zinc/26/14/67/703261467.db2.gz XOFXJIRQGYAWMC-XJKSGUPXSA-N 0 1 320.345 1.826 20 5 DDBDMN CCc1nc([C@@H](C)OC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000849630504 703661288 /nfs/dbraw/zinc/66/12/88/703661288.db2.gz UMSVBRDNTHCZKF-SSDOTTSWSA-N 0 1 305.294 1.776 20 5 DDBDMN O=C1CC[C@@H](CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)O1 ZINC000851844327 703868843 /nfs/dbraw/zinc/86/88/43/703868843.db2.gz VVWGGNHIXBTEKE-JQWIXIFHSA-N 0 1 306.322 1.182 20 5 DDBDMN CO[C@@]1(CO)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852412703 704037809 /nfs/dbraw/zinc/03/78/09/704037809.db2.gz YDVZQMQTBDHKNW-CABCVRRESA-N 0 1 310.350 1.102 20 5 DDBDMN CC(C)N1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819072429 704065352 /nfs/dbraw/zinc/06/53/52/704065352.db2.gz LIWLAENWAZPNHM-KGLIPLIRSA-N 0 1 307.350 1.227 20 5 DDBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)Cn2cccn2)c1 ZINC000819149438 704076290 /nfs/dbraw/zinc/07/62/90/704076290.db2.gz JSLQPXAVMNDLCT-GFCCVEGCSA-N 0 1 310.741 1.595 20 5 DDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(OC)c1OC ZINC000871279137 704258749 /nfs/dbraw/zinc/25/87/49/704258749.db2.gz UVRRDSQYPDJEEZ-IJLUTSLNSA-N 0 1 308.334 1.936 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000871422190 704291763 /nfs/dbraw/zinc/29/17/63/704291763.db2.gz IDMJQFGVVFLPQU-JHJVBQTASA-N 0 1 302.334 1.058 20 5 DDBDMN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000855390035 704481941 /nfs/dbraw/zinc/48/19/41/704481941.db2.gz KNYNJGQLMBLUAW-OPRDCNLKSA-N 0 1 310.272 1.658 20 5 DDBDMN COCc1nc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000855517114 704490192 /nfs/dbraw/zinc/49/01/92/704490192.db2.gz MGRULWMKNNIEKO-UHFFFAOYSA-N 0 1 323.284 1.237 20 5 DDBDMN COCc1nnc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])[nH]1 ZINC000855517114 704490193 /nfs/dbraw/zinc/49/01/93/704490193.db2.gz MGRULWMKNNIEKO-UHFFFAOYSA-N 0 1 323.284 1.237 20 5 DDBDMN CN(C)C1(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000867439264 707001473 /nfs/dbraw/zinc/00/14/73/707001473.db2.gz PXXDEFLHNQHTHE-UHFFFAOYSA-N 0 1 305.381 1.029 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000825180177 705617371 /nfs/dbraw/zinc/61/73/71/705617371.db2.gz FZWUNVWQOBMZHM-CABCVRRESA-N 0 1 303.362 1.718 20 5 DDBDMN C[C@@](N)(C(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000877221739 706021600 /nfs/dbraw/zinc/02/16/00/706021600.db2.gz RZUAIPGSOZIKNV-FOGDFJRCSA-N 0 1 317.267 1.836 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)OCC(F)(F)F)c1[N+](=O)[O-] ZINC000863848848 706028324 /nfs/dbraw/zinc/02/83/24/706028324.db2.gz CSUKZMWDUSZGML-UHFFFAOYSA-N 0 1 310.232 1.836 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])n1 ZINC000836640271 707494921 /nfs/dbraw/zinc/49/49/21/707494921.db2.gz GLXIYZMETUWDPJ-UHFFFAOYSA-N 0 1 323.740 1.956 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899629895 709131205 /nfs/dbraw/zinc/13/12/05/709131205.db2.gz RGRMUPZOGUEQIF-IINYFYTJSA-N 0 1 306.318 1.942 20 5 DDBDMN COC[C@@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000900488418 709619916 /nfs/dbraw/zinc/61/99/16/709619916.db2.gz MKSILRIBMBGSTO-JTQLQIEISA-N 0 1 312.301 1.186 20 5 DDBDMN C[C@H]1C[C@H](N(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+]1C ZINC000910362368 709909224 /nfs/dbraw/zinc/90/92/24/709909224.db2.gz ITLYNPPIWCHSEI-VHSXEESVSA-N 0 1 308.338 1.607 20 5 DDBDMN CCCN(CC[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000929526551 713630698 /nfs/dbraw/zinc/63/06/98/713630698.db2.gz SHBQAMDDKSNGEP-LBPRGKRZSA-N 0 1 301.387 1.985 20 5 DDBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000921336891 713738352 /nfs/dbraw/zinc/73/83/52/713738352.db2.gz ZLTQDTUEILAPKS-AAEUAGOBSA-N 0 1 306.366 1.968 20 5 DDBDMN 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Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000350828758 284267370 /nfs/dbraw/zinc/26/73/70/284267370.db2.gz LYARQSMGGIJBCZ-UHFFFAOYSA-N 0 1 316.321 1.315 20 5 DDBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000270786860 248680530 /nfs/dbraw/zinc/68/05/30/248680530.db2.gz UKGGSDYVVTWNCC-SNVBAGLBSA-N 0 1 318.337 1.944 20 5 DDBDMN C[C@H](O)C[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336843601 249250231 /nfs/dbraw/zinc/25/02/31/249250231.db2.gz XJJQAJIQZFMLLZ-YUMQZZPRSA-N 0 1 306.315 1.172 20 5 DDBDMN Cc1[nH]ncc1CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104878781 194050111 /nfs/dbraw/zinc/05/01/11/194050111.db2.gz QFKJQWXWRYGISC-UHFFFAOYSA-N 0 1 317.349 1.880 20 5 DDBDMN Cc1cc(C)n(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000269164011 207286618 /nfs/dbraw/zinc/28/66/18/207286618.db2.gz ZKRWDMXJALGVEQ-UHFFFAOYSA-N 0 1 318.333 1.934 20 5 DDBDMN COc1cc(N2CCN(CCO)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000302518616 532955054 /nfs/dbraw/zinc/95/50/54/532955054.db2.gz HYEFVDOCLURBGN-UHFFFAOYSA-N 0 1 309.366 1.496 20 5 DDBDMN Cc1c(Cl)cc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000119805106 195040405 /nfs/dbraw/zinc/04/04/05/195040405.db2.gz IXUNDOBMOCXUKI-UHFFFAOYSA-N 0 1 321.786 1.397 20 5 DDBDMN C[C@H](CO)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000270189751 208253972 /nfs/dbraw/zinc/25/39/72/208253972.db2.gz AHHAURNTMGAAMF-VIFPVBQESA-N 0 1 320.342 1.421 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158018512 197236513 /nfs/dbraw/zinc/23/65/13/197236513.db2.gz GHMCDFNLTWMIHI-MFKMUULPSA-N 0 1 307.350 1.713 20 5 DDBDMN O=C(CCCCc1cn[nH]n1)NCc1ccccc1[N+](=O)[O-] ZINC000157589172 197199923 /nfs/dbraw/zinc/19/99/23/197199923.db2.gz RBTXKJOPUVSAHV-UHFFFAOYSA-N 0 1 303.322 1.742 20 5 DDBDMN CC(C)[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120681706 195215822 /nfs/dbraw/zinc/21/58/22/195215822.db2.gz MYDQGOYWTPKKRU-SNVBAGLBSA-N 0 1 306.315 1.029 20 5 DDBDMN CC[C@H](CCO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121009962 195279743 /nfs/dbraw/zinc/27/97/43/195279743.db2.gz NEAGPFMLZQIKST-MRVPVSSYSA-N 0 1 306.315 1.173 20 5 DDBDMN Cc1n[nH]c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950690 533662215 /nfs/dbraw/zinc/66/22/15/533662215.db2.gz HZBXNAMLXDEURZ-ONGXEEELSA-N 0 1 307.354 1.325 20 5 DDBDMN COC(=O)C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000353680410 285866236 /nfs/dbraw/zinc/86/62/36/285866236.db2.gz JIGXLROHACDPKJ-GFCCVEGCSA-N 0 1 310.306 1.064 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCc1cn[nH]c1C ZINC000076431848 406968890 /nfs/dbraw/zinc/96/88/90/406968890.db2.gz DJDUDVMWPOMUGE-UHFFFAOYSA-N 0 1 320.353 1.270 20 5 DDBDMN CCN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000048418568 407097220 /nfs/dbraw/zinc/09/72/20/407097220.db2.gz DOUAPWXPQFZBHH-UHFFFAOYSA-N 0 1 306.366 1.479 20 5 DDBDMN COCCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378311 407272267 /nfs/dbraw/zinc/27/22/67/407272267.db2.gz SQEBOBXQAWEDOZ-CQSZACIVSA-N 0 1 307.350 1.668 20 5 DDBDMN Cc1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH]1 ZINC000103252873 407334723 /nfs/dbraw/zinc/33/47/23/407334723.db2.gz JYXXCUSQAMLGFD-UHFFFAOYSA-N 0 1 316.321 1.874 20 5 DDBDMN Cc1n[nH]c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000103252873 407334724 /nfs/dbraw/zinc/33/47/24/407334724.db2.gz JYXXCUSQAMLGFD-UHFFFAOYSA-N 0 1 316.321 1.874 20 5 DDBDMN Cc1c(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000125427875 407387913 /nfs/dbraw/zinc/38/79/13/407387913.db2.gz MFGOUYOCESJODV-CQSZACIVSA-N 0 1 305.378 1.998 20 5 DDBDMN Cc1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000185694437 407479499 /nfs/dbraw/zinc/47/94/99/407479499.db2.gz RVLGTRKJZXXJAW-UHFFFAOYSA-N 0 1 308.319 1.802 20 5 DDBDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185706681 407482704 /nfs/dbraw/zinc/48/27/04/407482704.db2.gz VSZXEHAUDPPJOV-GFCCVEGCSA-N 0 1 308.338 1.108 20 5 DDBDMN Cn1cc(CN2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271048233 407486809 /nfs/dbraw/zinc/48/68/09/407486809.db2.gz SVTJCWWZPXOFBQ-UHFFFAOYSA-N 0 1 316.361 1.952 20 5 DDBDMN COC(=O)[C@@H]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000266550775 407554472 /nfs/dbraw/zinc/55/44/72/407554472.db2.gz UFWJVXWCDUOWMF-LLVKDONJSA-N 0 1 324.333 1.477 20 5 DDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271262305 407602788 /nfs/dbraw/zinc/60/27/88/407602788.db2.gz MQRPVGGNBUXEPZ-IUCAKERBSA-N 0 1 318.326 1.580 20 5 DDBDMN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261779139 407614153 /nfs/dbraw/zinc/61/41/53/407614153.db2.gz WUPJADKFCGXUST-SNVBAGLBSA-N 0 1 307.306 1.330 20 5 DDBDMN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261779139 407614160 /nfs/dbraw/zinc/61/41/60/407614160.db2.gz WUPJADKFCGXUST-SNVBAGLBSA-N 0 1 307.306 1.330 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)CCc2ncc(C)s2)c1[N+](=O)[O-] ZINC000179034886 407699318 /nfs/dbraw/zinc/69/93/18/407699318.db2.gz WETVNQNPJKAHFH-UHFFFAOYSA-N 0 1 323.378 1.960 20 5 DDBDMN C[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000267000401 407710844 /nfs/dbraw/zinc/71/08/44/407710844.db2.gz CTIGMPOTJVZJGK-NWDGAFQWSA-N 0 1 311.357 1.621 20 5 DDBDMN Cc1c(NC(=O)C(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000118106458 407889506 /nfs/dbraw/zinc/88/95/06/407889506.db2.gz TUJBYEUFCHRZBQ-NSHDSACASA-N 0 1 320.349 1.052 20 5 DDBDMN COc1cc(C(=O)N(C)Cc2nnc[nH]2)cc([N+](=O)[O-])c1C ZINC000187907904 407904482 /nfs/dbraw/zinc/90/44/82/407904482.db2.gz UXONUMDZBKKSSC-UHFFFAOYSA-N 0 1 305.294 1.302 20 5 DDBDMN C[C@@H](CN1CCCC1=O)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272534109 407967339 /nfs/dbraw/zinc/96/73/39/407967339.db2.gz IUYNNJARUVABAZ-VIFPVBQESA-N 0 1 307.306 1.041 20 5 DDBDMN CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272446061 407925925 /nfs/dbraw/zinc/92/59/25/407925925.db2.gz ABANRSVBFMPCJR-NSHDSACASA-N 0 1 321.333 1.289 20 5 DDBDMN Cc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000118688948 407935689 /nfs/dbraw/zinc/93/56/89/407935689.db2.gz RREDWYYKRWTODC-SNVBAGLBSA-N 0 1 316.321 1.348 20 5 DDBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1=CC[N@@H+](C)CC1 ZINC000273035512 408027146 /nfs/dbraw/zinc/02/71/46/408027146.db2.gz VLZGJMDJFMOYEX-SNVBAGLBSA-N 0 1 305.334 1.681 20 5 DDBDMN CCC1(CC)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000245613143 408028308 /nfs/dbraw/zinc/02/83/08/408028308.db2.gz OQFKKUQPTSGAQL-GGZOMVNGSA-N 0 1 310.354 1.887 20 5 DDBDMN CCOc1cc(N2CCN(C[C@H](O)CC)CC2)ccc1[N+](=O)[O-] ZINC000174916024 408004230 /nfs/dbraw/zinc/00/42/30/408004230.db2.gz NEZOUEJQNGRPSI-CQSZACIVSA-N 0 1 323.393 1.886 20 5 DDBDMN CC[C@]1(CO)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000189636313 408070206 /nfs/dbraw/zinc/07/02/06/408070206.db2.gz HVNWALKQKDPUCI-MRXNPFEDSA-N 0 1 321.377 1.795 20 5 DDBDMN C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CO ZINC000190440549 408245734 /nfs/dbraw/zinc/24/57/34/408245734.db2.gz MYQNXVSWHMYHLY-GXFFZTMASA-N 0 1 318.333 1.848 20 5 DDBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151138839 408263354 /nfs/dbraw/zinc/26/33/54/408263354.db2.gz ITYAEHJSPLWQHE-LLVKDONJSA-N 0 1 307.350 1.905 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000273654132 408280445 /nfs/dbraw/zinc/28/04/45/408280445.db2.gz WARTVHXPIJGMKX-GXSJLCMTSA-N 0 1 324.381 1.749 20 5 DDBDMN O=C(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1ccccc1 ZINC000157755958 408313952 /nfs/dbraw/zinc/31/39/52/408313952.db2.gz YGPZSOCENOHVCK-UHFFFAOYSA-N 0 1 303.278 1.077 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000264033125 408349179 /nfs/dbraw/zinc/34/91/79/408349179.db2.gz NLFWYYIXKNRWBG-JTQLQIEISA-N 0 1 304.310 1.337 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000264033126 408349202 /nfs/dbraw/zinc/34/92/02/408349202.db2.gz NLFWYYIXKNRWBG-SNVBAGLBSA-N 0 1 304.310 1.337 20 5 DDBDMN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nn[nH]n1 ZINC000176759982 408435438 /nfs/dbraw/zinc/43/54/38/408435438.db2.gz FWHDYMHVOSLHEG-JTQLQIEISA-N 0 1 304.310 1.688 20 5 DDBDMN CC1(C)C[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)O1 ZINC000269931068 408472069 /nfs/dbraw/zinc/47/20/69/408472069.db2.gz PDALJEAZDWDPFR-JTQLQIEISA-N 0 1 318.289 1.295 20 5 DDBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000248612215 408598558 /nfs/dbraw/zinc/59/85/58/408598558.db2.gz XRUSATMTVTWWKQ-RTXFEEFZSA-N 0 1 308.338 1.509 20 5 DDBDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000177426345 408614076 /nfs/dbraw/zinc/61/40/76/408614076.db2.gz FVKIOIVZSOOQPS-OAHLLOKOSA-N 0 1 321.333 1.079 20 5 DDBDMN Cc1ccnc(N2CCN(CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275628867 408625632 /nfs/dbraw/zinc/62/56/32/408625632.db2.gz VQNLXHXGHZKLOH-GFCCVEGCSA-N 0 1 308.382 1.580 20 5 DDBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000251690512 408784031 /nfs/dbraw/zinc/78/40/31/408784031.db2.gz OYBWMSRIWBFEHZ-GHMZBOCLSA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000251690512 408784035 /nfs/dbraw/zinc/78/40/35/408784035.db2.gz OYBWMSRIWBFEHZ-GHMZBOCLSA-N 0 1 322.365 1.546 20 5 DDBDMN O=C(Nc1ccc2[nH]nnc2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187169659 163007809 /nfs/dbraw/zinc/00/78/09/163007809.db2.gz VWWXUDCWDDGBLC-UHFFFAOYSA-N 0 1 300.234 1.219 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000286186477 408939925 /nfs/dbraw/zinc/93/99/25/408939925.db2.gz AVMSPCCTDVCUQK-UHFFFAOYSA-N 0 1 301.350 1.649 20 5 DDBDMN CN(Cc1ccccc1)C1CN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000286186477 408939926 /nfs/dbraw/zinc/93/99/26/408939926.db2.gz AVMSPCCTDVCUQK-UHFFFAOYSA-N 0 1 301.350 1.649 20 5 DDBDMN CO[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000281842914 408939975 /nfs/dbraw/zinc/93/99/75/408939975.db2.gz YPJZGIBJCQSNMP-GWCFXTLKSA-N 0 1 307.350 1.693 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000286443438 408986841 /nfs/dbraw/zinc/98/68/41/408986841.db2.gz RLELOKIBHRDDLJ-YFKPBYRVSA-N 0 1 308.273 1.234 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CC2)OCCCO3)c1 ZINC000293223235 409070511 /nfs/dbraw/zinc/07/05/11/409070511.db2.gz YXYZGMXPANHBNT-OAHLLOKOSA-N 0 1 322.361 1.857 20 5 DDBDMN O=c1[n-]nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263888 409403921 /nfs/dbraw/zinc/40/39/21/409403921.db2.gz HGFPPSGRNABMTI-SNVBAGLBSA-N 0 1 322.296 1.790 20 5 DDBDMN O=c1[n-]nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263888 409403925 /nfs/dbraw/zinc/40/39/25/409403925.db2.gz HGFPPSGRNABMTI-SNVBAGLBSA-N 0 1 322.296 1.790 20 5 DDBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1ccccc1 ZINC000285492495 409465487 /nfs/dbraw/zinc/46/54/87/409465487.db2.gz AMVVQRPHEXNCQG-FZMZJTMJSA-N 0 1 315.333 1.493 20 5 DDBDMN C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)[C@@H]1c1ccccc1 ZINC000285492495 409465491 /nfs/dbraw/zinc/46/54/91/409465491.db2.gz 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O=C(Cc1ccccc1[N+](=O)[O-])NC1(c2nn[nH]n2)CCCC1 ZINC000345532119 409688609 /nfs/dbraw/zinc/68/86/09/409688609.db2.gz DLKMMKLOFVEEHR-UHFFFAOYSA-N 0 1 316.321 1.236 20 5 DDBDMN C[C@@H]1[C@H](C)N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357005084 409786364 /nfs/dbraw/zinc/78/63/64/409786364.db2.gz QVOWUVYVELQHLJ-OLZOCXBDSA-N 0 1 320.393 1.582 20 5 DDBDMN COc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319631 409914367 /nfs/dbraw/zinc/91/43/67/409914367.db2.gz CMGLOKKIDHYPHZ-SUHUHFCYSA-N 0 1 322.361 1.815 20 5 DDBDMN COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000346319632 409914503 /nfs/dbraw/zinc/91/45/03/409914503.db2.gz CMGLOKKIDHYPHZ-VHRBIJSZSA-N 0 1 322.361 1.815 20 5 DDBDMN C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339191823 410069040 /nfs/dbraw/zinc/06/90/40/410069040.db2.gz ASNIXAZYIOXFNM-TZMCWYRMSA-N 0 1 321.377 1.595 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCn2c(=O)[nH]nc2C1 ZINC000354913337 410168769 /nfs/dbraw/zinc/16/87/69/410168769.db2.gz CJAAYLHKAJRBEA-UHFFFAOYSA-N 0 1 319.321 1.306 20 5 DDBDMN Cc1ccc([C@@H](C)NCC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000299040727 410494977 /nfs/dbraw/zinc/49/49/77/410494977.db2.gz RTCOVBZMDGUIAL-OCCSQVGLSA-N 0 1 321.377 1.849 20 5 DDBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C[C@H](C)O)CC1 ZINC000347364611 410498683 /nfs/dbraw/zinc/49/86/83/410498683.db2.gz BWSPQGYBANTEDV-IPJDOKCGSA-N 0 1 319.405 1.997 20 5 DDBDMN COCCOC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359354340 410617322 /nfs/dbraw/zinc/61/73/22/410617322.db2.gz ZJIJTFQNCQCWAU-SECBINFHSA-N 0 1 322.321 1.252 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCCN2CCSC[C@@H]2CO)cc1 ZINC000343725319 410651200 /nfs/dbraw/zinc/65/12/00/410651200.db2.gz NWWZVPQGYKALIR-ZDUSSCGKSA-N 0 1 312.391 1.773 20 5 DDBDMN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000340238051 410785044 /nfs/dbraw/zinc/78/50/44/410785044.db2.gz XCNHINFRENSICG-UHFFFAOYSA-N 0 1 309.303 1.799 20 5 DDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC2(c3nn[nH]n3)CC2)c1 ZINC000348290933 410900431 /nfs/dbraw/zinc/90/04/31/410900431.db2.gz HFQQKSHTOGJWOP-UHFFFAOYSA-N 0 1 320.334 1.249 20 5 DDBDMN Cc1ccc([C@H](C)NC(=O)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000337661071 410925242 /nfs/dbraw/zinc/92/52/42/410925242.db2.gz QJPLWCBEUWVFOX-LBPRGKRZSA-N 0 1 306.366 1.969 20 5 DDBDMN CN(CC1(O)CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353487221 411022949 /nfs/dbraw/zinc/02/29/49/411022949.db2.gz DERCZLFKKIWACE-AWEZNQCLSA-N 0 1 319.361 1.547 20 5 DDBDMN COc1cccc(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000131521762 196177178 /nfs/dbraw/zinc/17/71/78/196177178.db2.gz KGXXNQOTHFNOHS-UHFFFAOYSA-N 0 1 304.306 1.689 20 5 DDBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1csc([N+](=O)[O-])c1 ZINC000295306890 224692855 /nfs/dbraw/zinc/69/28/55/224692855.db2.gz BNKRSGXQZUQOBM-NSHDSACASA-N 0 1 313.379 1.233 20 5 DDBDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000366698175 418506171 /nfs/dbraw/zinc/50/61/71/418506171.db2.gz GDEFOIMWDSNGAB-SECBINFHSA-N 0 1 305.294 1.982 20 5 DDBDMN Cc1ccc(C2=NO[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC000374860240 418571020 /nfs/dbraw/zinc/57/10/20/418571020.db2.gz GDXUKQVPLCTWQL-GZBFAFLISA-N 0 1 317.345 1.578 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1=O ZINC000363354915 418764712 /nfs/dbraw/zinc/76/47/12/418764712.db2.gz CZDBJUSEMZAJLK-RDBSUJKOSA-N 0 1 317.345 1.306 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000428159257 419824038 /nfs/dbraw/zinc/82/40/38/419824038.db2.gz GUQKGOIAWNWCTC-AWEZNQCLSA-N 0 1 308.338 1.428 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1C ZINC000430231958 420092716 /nfs/dbraw/zinc/09/27/16/420092716.db2.gz DNRHJSRXBUYVDY-ZWNOBZJWSA-N 0 1 308.334 1.987 20 5 DDBDMN CNC(=O)c1ccc(N2CC[C@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000425280106 420338520 /nfs/dbraw/zinc/33/85/20/420338520.db2.gz HAIUAFUWPUMFOG-JTQLQIEISA-N 0 1 316.321 1.066 20 5 DDBDMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420741559 420374701 /nfs/dbraw/zinc/37/47/01/420374701.db2.gz STYGWEXVPBHEDW-NSHDSACASA-N 0 1 313.379 1.310 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553545 420416925 /nfs/dbraw/zinc/41/69/25/420416925.db2.gz UQQXAYIVEFIZGK-LLVKDONJSA-N 0 1 303.322 1.711 20 5 DDBDMN CCC[C@H]1CNCCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760182 420470708 /nfs/dbraw/zinc/47/07/08/420470708.db2.gz FNMTVOBGBCDITP-AWEZNQCLSA-N 0 1 320.393 1.921 20 5 DDBDMN C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000440359565 420570673 /nfs/dbraw/zinc/57/06/73/420570673.db2.gz PMEFFEJJDGDBOQ-RKDXNWHRSA-N 0 1 319.408 1.323 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](CCCO)C2)c1[N+](=O)[O-] ZINC000457112577 420619875 /nfs/dbraw/zinc/61/98/75/420619875.db2.gz KPBAYYSKFGSLFS-SNVBAGLBSA-N 0 1 310.354 1.505 20 5 DDBDMN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000493717407 420922541 /nfs/dbraw/zinc/92/25/41/420922541.db2.gz DFRRAZNXEYBTBR-MYNJGTHASA-N 0 1 301.346 1.961 20 5 DDBDMN C[C@H]1[C@H](CO)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725759 421108802 /nfs/dbraw/zinc/10/88/02/421108802.db2.gz BDKBKHIBIKDFHE-RYUDHWBXSA-N 0 1 307.350 1.260 20 5 DDBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2ccc(F)cc2[nH]1 ZINC000488917808 421124576 /nfs/dbraw/zinc/12/45/76/421124576.db2.gz MWHDAEMUKIVFCS-UHFFFAOYSA-N 0 1 304.241 1.445 20 5 DDBDMN O=C(NCCc1ccc2n[nH]cc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000560510756 421276118 /nfs/dbraw/zinc/27/61/18/421276118.db2.gz NZVPFJYLDXTCDG-UHFFFAOYSA-N 0 1 300.278 1.167 20 5 DDBDMN CC(C)(C)OC(=O)N1CCC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497303410 421404273 /nfs/dbraw/zinc/40/42/73/421404273.db2.gz HSPCTIPEAUFIML-HBNTYKKESA-N 0 1 314.338 1.594 20 5 DDBDMN O=C([O-])c1cc(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000518777278 421666960 /nfs/dbraw/zinc/66/69/60/421666960.db2.gz YXTUKTHKXCAPSQ-SNVBAGLBSA-N 0 1 302.290 1.916 20 5 DDBDMN CC[C@@H]1CN(C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517214013 421599405 /nfs/dbraw/zinc/59/94/05/421599405.db2.gz HKYSAFNLDVCULA-GFCCVEGCSA-N 0 1 306.366 1.559 20 5 DDBDMN O=C([O-])[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571571413 421727762 /nfs/dbraw/zinc/72/77/62/421727762.db2.gz RLTUQLYDUXHJMH-DGCLKSJQSA-N 0 1 324.333 1.131 20 5 DDBDMN Cc1cc(C)c(S(=O)(=O)N(C)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000570865457 421673987 /nfs/dbraw/zinc/67/39/87/421673987.db2.gz BRDCSXPFBABXDU-UHFFFAOYSA-N 0 1 324.362 1.755 20 5 DDBDMN CO[C@@H]1C[C@@H](CC(=O)[O-])[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000519824578 421732183 /nfs/dbraw/zinc/73/21/83/421732183.db2.gz IZNHBYMONQIZEQ-UONOGXRCSA-N 0 1 308.334 1.701 20 5 DDBDMN CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000542624390 421825510 /nfs/dbraw/zinc/82/55/10/421825510.db2.gz KRRQLAJAWNTPKY-LLVKDONJSA-N 0 1 307.350 1.761 20 5 DDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000580934113 421866745 /nfs/dbraw/zinc/86/67/45/421866745.db2.gz UOFSFYWWLYVEHX-NSHDSACASA-N 0 1 304.350 1.546 20 5 DDBDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000578195875 422518845 /nfs/dbraw/zinc/51/88/45/422518845.db2.gz OZPVIHHSEGKYSR-ZYHUDNBSSA-N 0 1 320.349 1.609 20 5 DDBDMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000578900598 422670549 /nfs/dbraw/zinc/67/05/49/422670549.db2.gz SVNBVPSSGZFZDR-DOMZBBRYSA-N 0 1 324.333 1.131 20 5 DDBDMN Cc1cc(N2C[C@H](O)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317429034 271021950 /nfs/dbraw/zinc/02/19/50/271021950.db2.gz LKIGLMRSWBPABP-BONVTDFDSA-N 0 1 303.318 1.241 20 5 DDBDMN CC(=O)[C@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000341594851 271132446 /nfs/dbraw/zinc/13/24/46/271132446.db2.gz SRKGMJWXIOUBIG-MEDUHNTESA-N 0 1 321.377 1.975 20 5 DDBDMN NC(=O)c1cccc(N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000341739954 271195278 /nfs/dbraw/zinc/19/52/78/271195278.db2.gz BWQPDMXJZYATOW-LLVKDONJSA-N 0 1 304.350 1.368 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344429306 272024071 /nfs/dbraw/zinc/02/40/71/272024071.db2.gz RFYJKANGFITYHW-BETUJISGSA-N 0 1 321.377 1.915 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)CN(C)C)cc1C ZINC000344910585 272139035 /nfs/dbraw/zinc/13/90/35/272139035.db2.gz WISLUWVFUWMBNF-LLVKDONJSA-N 0 1 315.395 1.440 20 5 DDBDMN C[C@@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408071341 274333692 /nfs/dbraw/zinc/33/36/92/274333692.db2.gz JVBCXBDCTJSHJD-LLVKDONJSA-N 0 1 307.350 1.597 20 5 DDBDMN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1CCO ZINC000450456061 274370563 /nfs/dbraw/zinc/37/05/63/274370563.db2.gz WPMOPDQFDQLNJQ-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN CCC[N@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184926306 276249910 /nfs/dbraw/zinc/24/99/10/276249910.db2.gz LQEODJOBCALNAT-SNVBAGLBSA-N 0 1 309.322 1.718 20 5 DDBDMN CCC[N@@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184926306 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C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078544664 278260615 /nfs/dbraw/zinc/26/06/15/278260615.db2.gz QOODNHRJRLAWAD-LBPRGKRZSA-N 0 1 321.381 1.352 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000436734518 280007560 /nfs/dbraw/zinc/00/75/60/280007560.db2.gz DOGUBEJXTBKSLE-ZDUSSCGKSA-N 0 1 307.350 1.713 20 5 DDBDMN C[C@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1C ZINC000332238814 280112036 /nfs/dbraw/zinc/11/20/36/280112036.db2.gz UEXCPKNCNOOZAN-RYUDHWBXSA-N 0 1 321.377 1.986 20 5 DDBDMN Cc1cn[nH]c1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000290452059 280281986 /nfs/dbraw/zinc/28/19/86/280281986.db2.gz OSHWVNBHPZAVCU-UHFFFAOYSA-N 0 1 301.350 1.949 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130406276 281380020 /nfs/dbraw/zinc/38/00/20/281380020.db2.gz OYYWBJILLOYHFM-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000248482839 290239020 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(CO)CCC1 ZINC000183307678 408374903 /nfs/dbraw/zinc/37/49/03/408374903.db2.gz CUNOEAQFPMSBIC-UHFFFAOYSA-N 0 1 318.326 1.175 20 5 DDBDMN CC(=O)C[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274853752 408555893 /nfs/dbraw/zinc/55/58/93/408555893.db2.gz RUQCHRPQZPQNML-LBPRGKRZSA-N 0 1 308.290 1.121 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274797103 408535876 /nfs/dbraw/zinc/53/58/76/408535876.db2.gz ZSUSEYMNEPEXGK-OLZOCXBDSA-N 0 1 305.334 1.657 20 5 DDBDMN CC[C@]1(CO)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000275860910 408699025 /nfs/dbraw/zinc/69/90/25/408699025.db2.gz ISTJUVHHIMMFIE-CQSZACIVSA-N 0 1 310.354 1.818 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000195132096 408812602 /nfs/dbraw/zinc/81/26/02/408812602.db2.gz KJKPHWAYMSSCGP-ZDUSSCGKSA-N 0 1 322.365 1.497 20 5 DDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000249860323 408769623 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305.334 1.468 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000279182098 409165746 /nfs/dbraw/zinc/16/57/46/409165746.db2.gz BTUNLXVISSNXFF-JTQLQIEISA-N 0 1 310.354 1.767 20 5 DDBDMN C[C@]1(O)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000280605815 409377493 /nfs/dbraw/zinc/37/74/93/409377493.db2.gz PAKIANVLVRYUKU-HNNXBMFYSA-N 0 1 318.333 1.848 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285388116 409423889 /nfs/dbraw/zinc/42/38/89/409423889.db2.gz JGHCSVIVOZDKKN-JTQLQIEISA-N 0 1 309.351 1.412 20 5 DDBDMN CC(C)c1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296205493 409464128 /nfs/dbraw/zinc/46/41/28/409464128.db2.gz UOYZVSRSIYPEPQ-UHFFFAOYSA-N 0 1 303.322 1.695 20 5 DDBDMN CCc1nc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])n[nH]1 ZINC000295433714 409480623 /nfs/dbraw/zinc/48/06/23/409480623.db2.gz VBGRWSWIDSEGRT-UHFFFAOYSA-N 0 1 305.294 1.214 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000408305885 164292064 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Cc1nn(CCC(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605530 410822380 /nfs/dbraw/zinc/82/23/80/410822380.db2.gz ZDVYNUWHKZJQQQ-GHMZBOCLSA-N 0 1 323.397 1.349 20 5 DDBDMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000330610908 410826525 /nfs/dbraw/zinc/82/65/25/410826525.db2.gz PGAYWOVSJFZAQU-LLVKDONJSA-N 0 1 307.350 1.714 20 5 DDBDMN C[C@@H]1CN(C)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000330675600 410869627 /nfs/dbraw/zinc/86/96/27/410869627.db2.gz SHEYVHVRYBCDAE-LLVKDONJSA-N 0 1 317.349 1.781 20 5 DDBDMN O=C(NC1(c2nn[n-]n2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348293569 410904682 /nfs/dbraw/zinc/90/46/82/410904682.db2.gz OHGFRSRPMSXUIC-UHFFFAOYSA-N 0 1 308.685 1.180 20 5 DDBDMN O=C(NC1(c2nn[nH]n2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348293569 410904685 /nfs/dbraw/zinc/90/46/85/410904685.db2.gz OHGFRSRPMSXUIC-UHFFFAOYSA-N 0 1 308.685 1.180 20 5 DDBDMN CC(C)(C)[C@H](O)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000341282596 410981980 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DDBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425070864 228361474 /nfs/dbraw/zinc/36/14/74/228361474.db2.gz XHLTVKDAYRFWJE-MRVPVSSYSA-N 0 1 305.269 1.482 20 5 DDBDMN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](CC)O1 ZINC000420960101 419385027 /nfs/dbraw/zinc/38/50/27/419385027.db2.gz RCCAWLUXPIEGAV-BFHYXJOUSA-N 0 1 312.370 1.042 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)c2ccncc21 ZINC000299520894 229177202 /nfs/dbraw/zinc/17/72/02/229177202.db2.gz DVEMXCHKOPYPSW-UHFFFAOYSA-N 0 1 316.361 1.647 20 5 DDBDMN CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000436967495 420387391 /nfs/dbraw/zinc/38/73/91/420387391.db2.gz SUFKWDGTUFHVIS-LBPRGKRZSA-N 0 1 305.334 1.609 20 5 DDBDMN COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456136735 421107069 /nfs/dbraw/zinc/10/70/69/421107069.db2.gz PUVDEWIRMBXMOH-OLZOCXBDSA-N 0 1 322.317 1.762 20 5 DDBDMN C[C@H](O)CN(CC(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456558870 421183892 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Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000420416206 420271442 /nfs/dbraw/zinc/27/14/42/420271442.db2.gz VJRDFBOEJHLODM-ZDUSSCGKSA-N 0 1 320.393 1.376 20 5 DDBDMN CCn1cc(S(=O)(=O)Nc2ccccc2F)c([N+](=O)[O-])n1 ZINC000435728384 420282024 /nfs/dbraw/zinc/28/20/24/420282024.db2.gz LESKOTPDTMBXMD-UHFFFAOYSA-N 0 1 314.298 1.751 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCC[NH2+]2)s1 ZINC000420441462 420290838 /nfs/dbraw/zinc/29/08/38/420290838.db2.gz IQYKMGQYHYRBAB-VIFPVBQESA-N 0 1 319.408 1.467 20 5 DDBDMN COc1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425355468 420362057 /nfs/dbraw/zinc/36/20/57/420362057.db2.gz LTVWAGOZHLZUCL-LLVKDONJSA-N 0 1 303.322 1.711 20 5 DDBDMN CC(=O)c1ccc(O)c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000436878494 420380586 /nfs/dbraw/zinc/38/05/86/420380586.db2.gz SVSLOACYXPUBKZ-UHFFFAOYSA-N 0 1 304.262 1.338 20 5 DDBDMN CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436969139 420388722 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DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000370721642 307134004 /nfs/dbraw/zinc/13/40/04/307134004.db2.gz AELMRUMJCGGIHS-GMTAPVOTSA-N 0 1 306.322 1.318 20 5 DDBDMN Nc1ccc(N2CCN([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000376454135 307244475 /nfs/dbraw/zinc/24/44/75/307244475.db2.gz JIJXEKVGWHTDOO-LBPRGKRZSA-N 0 1 308.407 1.805 20 5 DDBDMN COc1ccccc1O[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376483587 307245595 /nfs/dbraw/zinc/24/55/95/307245595.db2.gz FMXNHASNXLSOCK-JHJVBQTASA-N 0 1 320.345 1.730 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CCOC3(CCOCC3)CC2)n1 ZINC000377250228 307266940 /nfs/dbraw/zinc/26/69/40/307266940.db2.gz MOVDLFAOVZVQLE-UHFFFAOYSA-N 0 1 310.354 1.063 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000378297623 307285113 /nfs/dbraw/zinc/28/51/13/307285113.db2.gz FDJQXCPPGRKNCR-IRUJWGPZSA-N 0 1 321.308 1.103 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000517244868 307431886 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DDBDMN CCOc1cc(CN2CCc3n[nH]nc3C2)ccc1[N+](=O)[O-] ZINC000429315892 528267362 /nfs/dbraw/zinc/26/73/62/528267362.db2.gz HFBVUNWPHPZFEQ-UHFFFAOYSA-N 0 1 303.322 1.670 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736760801 600929292 /nfs/dbraw/zinc/92/92/92/600929292.db2.gz MYBPEUAFJXNWLJ-CABZTGNLSA-N 0 1 321.333 1.506 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422925 601532632 /nfs/dbraw/zinc/53/26/32/601532632.db2.gz JQKLQQNYFYVOTE-GIPNMCIBSA-N 0 1 321.333 1.574 20 5 DDBDMN C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000828447974 601534230 /nfs/dbraw/zinc/53/42/30/601534230.db2.gz ACFGMQGDRUSSCL-GXFFZTMASA-N 0 1 321.333 1.576 20 5 DDBDMN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C(=O)[O-] ZINC000833630843 604672666 /nfs/dbraw/zinc/67/26/66/604672666.db2.gz XHOILLSDBOPVEG-MWLCHTKSSA-N 0 1 322.317 1.519 20 5 DDBDMN O=C([O-])N[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000740593942 605930487 /nfs/dbraw/zinc/93/04/87/605930487.db2.gz KKLKYSSKAGZVBY-JTQLQIEISA-N 0 1 322.321 1.265 20 5 DDBDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000833834730 606033244 /nfs/dbraw/zinc/03/32/44/606033244.db2.gz QMRAGRURKRPQLF-UHIISALHSA-N 0 1 323.349 1.606 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CC[NH2+]CC1 ZINC000122909186 696726621 /nfs/dbraw/zinc/72/66/21/696726621.db2.gz GTRZSMLXTNYVBE-UHFFFAOYSA-N 0 1 317.342 1.012 20 5 DDBDMN CC1(C)C(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1(C)C ZINC000974004020 695617632 /nfs/dbraw/zinc/61/76/32/695617632.db2.gz QFPTVJYPVJWBCZ-LMLFDSFASA-N 0 1 323.393 1.097 20 5 DDBDMN C[C@@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)N1CCCCCC1 ZINC000748128743 700101236 /nfs/dbraw/zinc/10/12/36/700101236.db2.gz KPARICPWIFKHLK-LBPRGKRZSA-N 0 1 310.354 1.599 20 5 DDBDMN Cc1ocnc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120190530 696691457 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O=C(N[C@@H](c1ccccc1)C1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684666 701782943 /nfs/dbraw/zinc/78/29/43/701782943.db2.gz YWASQALEPNDQRC-KFWWJZLASA-N 0 1 304.346 1.936 20 5 DDBDMN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839685911 701783746 /nfs/dbraw/zinc/78/37/46/701783746.db2.gz IESIMPYBKWPOBA-UMVBOHGHSA-N 0 1 321.352 1.884 20 5 DDBDMN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000839692750 701786839 /nfs/dbraw/zinc/78/68/39/701786839.db2.gz QTWWYPVCELYSMG-ZIAGYGMSSA-N 0 1 318.308 1.335 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000839712364 701792916 /nfs/dbraw/zinc/79/29/16/701792916.db2.gz GOPABMQYMWXCJY-GBJTYRQASA-N 0 1 322.336 1.905 20 5 DDBDMN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839718922 701795765 /nfs/dbraw/zinc/79/57/65/701795765.db2.gz UZLKYBRPHSPBES-JXJLXUTGSA-N 0 1 308.334 1.553 20 5 DDBDMN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734576 701802390 /nfs/dbraw/zinc/80/23/90/701802390.db2.gz SMBAFCSCAQCRHP-FMKPAKJESA-N 0 1 306.362 1.841 20 5 DDBDMN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747006 701808470 /nfs/dbraw/zinc/80/84/70/701808470.db2.gz OVRJZUWFXFVZFI-MXWKQRLJSA-N 0 1 302.689 1.294 20 5 DDBDMN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000839786935 701825879 /nfs/dbraw/zinc/82/58/79/701825879.db2.gz ISCJVLSNJJSYJL-VEGXAWMVSA-N 0 1 322.365 1.162 20 5 DDBDMN O=C(NCc1c(F)cccc1-n1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839788405 701826819 /nfs/dbraw/zinc/82/68/19/701826819.db2.gz HSUMLJBPGRJXBT-NOZJJQNGSA-N 0 1 304.281 1.293 20 5 DDBDMN CN(C)C(=O)[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840178182 702014766 /nfs/dbraw/zinc/01/47/66/702014766.db2.gz MUJIVPDTSUBCLR-GFCCVEGCSA-N 0 1 317.349 1.312 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)c1ccc2c(c1)OCO2 ZINC000840299246 702060584 /nfs/dbraw/zinc/06/05/84/702060584.db2.gz BBCJSHWMRNOODO-GHMZBOCLSA-N 0 1 306.318 1.774 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000840324525 702070663 /nfs/dbraw/zinc/07/06/63/702070663.db2.gz RZJHQXCHSIQJRZ-DDHJBXDOSA-N 0 1 300.380 1.165 20 5 DDBDMN CO[C@@H]1CC[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000879322300 706649790 /nfs/dbraw/zinc/64/97/90/706649790.db2.gz JGCPUVOPSIPDPY-ZWNOBZJWSA-N 0 1 307.350 1.693 20 5 DDBDMN CC(C)OC(=O)CSCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000814011620 702460077 /nfs/dbraw/zinc/46/00/77/702460077.db2.gz HPZGUQYJTHVCHR-UHFFFAOYSA-N 0 1 316.335 1.765 20 5 DDBDMN CC(C)(C)c1nnc(COC(=O)c2cccc([N+](=O)[O-])c2N)[nH]1 ZINC000814459980 702525544 /nfs/dbraw/zinc/52/55/44/702525544.db2.gz OXNYBECPUVHNRA-UHFFFAOYSA-N 0 1 319.321 1.950 20 5 DDBDMN CC(C)(C)c1nc(COC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000814459980 702525550 /nfs/dbraw/zinc/52/55/50/702525550.db2.gz OXNYBECPUVHNRA-UHFFFAOYSA-N 0 1 319.321 1.950 20 5 DDBDMN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913891 702790726 /nfs/dbraw/zinc/79/07/26/702790726.db2.gz JMDRIQQKFORBNU-YUMQZZPRSA-N 0 1 321.786 1.652 20 5 DDBDMN CCOC(=O)[C@H](CCSC)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000842955968 702793400 /nfs/dbraw/zinc/79/34/00/702793400.db2.gz TWDSTRMSNIYLLY-VIFPVBQESA-N 0 1 316.335 1.765 20 5 DDBDMN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000843060020 702810424 /nfs/dbraw/zinc/81/04/24/702810424.db2.gz QSJZRVXVQATLRC-WHGOUJPWSA-N 0 1 308.256 1.530 20 5 DDBDMN CN1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H](Cc2ccccc2)C1 ZINC000844740160 703066696 /nfs/dbraw/zinc/06/66/96/703066696.db2.gz INNXDEZEDNUMSC-OAHLLOKOSA-N 0 1 315.377 1.608 20 5 DDBDMN CN1CCN(Cn2nccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000844743491 703067421 /nfs/dbraw/zinc/06/74/21/703067421.db2.gz YMZBSWXSTSUGFG-OAHLLOKOSA-N 0 1 315.377 1.608 20 5 DDBDMN CC(=O)C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000846946086 703355619 /nfs/dbraw/zinc/35/56/19/703355619.db2.gz GJWPPPYGLHXCHL-AWEZNQCLSA-N 0 1 322.361 1.636 20 5 DDBDMN CNc1nccc(C(=O)OCc2nc(C(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000848789860 703589547 /nfs/dbraw/zinc/58/95/47/703589547.db2.gz GVPBXOUFGXJYAL-UHFFFAOYSA-N 0 1 320.309 1.630 20 5 DDBDMN CNc1nccc(C(=O)OCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000848789860 703589549 /nfs/dbraw/zinc/58/95/49/703589549.db2.gz GVPBXOUFGXJYAL-UHFFFAOYSA-N 0 1 320.309 1.630 20 5 DDBDMN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1(C)C ZINC000871155061 704232648 /nfs/dbraw/zinc/23/26/48/704232648.db2.gz PFWOAPUZTOCVCK-UHFFFAOYSA-N 0 1 307.350 1.857 20 5 DDBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000853586438 704276387 /nfs/dbraw/zinc/27/63/87/704276387.db2.gz RMQXRUCMLFGDFL-DGCLKSJQSA-N 0 1 302.334 1.870 20 5 DDBDMN COC(=O)Cc1ccc(N(C)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000853743624 704308971 /nfs/dbraw/zinc/30/89/71/704308971.db2.gz RUDZQAUNVYSENT-UHFFFAOYSA-N 0 1 304.306 1.670 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859888695 705031184 /nfs/dbraw/zinc/03/11/84/705031184.db2.gz JJPXQCLLLDAOGW-YSOBRWQISA-N 0 1 324.402 1.614 20 5 DDBDMN CC(C)(CCC(=O)NCc1n[nH]c(-c2ccccc2)n1)[N+](=O)[O-] ZINC000822946373 705089648 /nfs/dbraw/zinc/08/96/48/705089648.db2.gz IZNLKCPOCJRUDI-UHFFFAOYSA-N 0 1 317.349 1.923 20 5 DDBDMN CC(C)(CCC(=O)NCc1nc(-c2ccccc2)n[nH]1)[N+](=O)[O-] ZINC000822946373 705089654 /nfs/dbraw/zinc/08/96/54/705089654.db2.gz IZNLKCPOCJRUDI-UHFFFAOYSA-N 0 1 317.349 1.923 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](OC)(C(=O)[O-])C1 ZINC000863475114 705936206 /nfs/dbraw/zinc/93/62/06/705936206.db2.gz OBECNDFGAGUOFL-OAHLLOKOSA-N 0 1 324.333 1.669 20 5 DDBDMN COc1cccnc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877574922 706146589 /nfs/dbraw/zinc/14/65/89/706146589.db2.gz ZMVVFYHBJHMYIN-UHFFFAOYSA-N 0 1 303.322 1.688 20 5 DDBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000829010041 706272478 /nfs/dbraw/zinc/27/24/78/706272478.db2.gz ABBGIGRCSOONLT-PHIMTYICSA-N 0 1 322.321 1.778 20 5 DDBDMN CC(C)[C@H](O)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878694863 706471370 /nfs/dbraw/zinc/47/13/70/706471370.db2.gz BHAMQGCWWYTASB-CQSZACIVSA-N 0 1 308.382 1.519 20 5 DDBDMN O=[N+]([O-])c1cnn(CCNc2ccncc2C(F)(F)F)c1 ZINC000865622745 706480205 /nfs/dbraw/zinc/48/02/05/706480205.db2.gz CTIVQLLEOXPRAB-UHFFFAOYSA-N 0 1 301.228 1.739 20 5 DDBDMN O=[N+]([O-])c1ccccc1CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584090 707027135 /nfs/dbraw/zinc/02/71/35/707027135.db2.gz DWHFYUYSASOAIF-CQSZACIVSA-N 0 1 306.362 1.958 20 5 DDBDMN CC(C)[C@@H](CO)ONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000836900073 707545594 /nfs/dbraw/zinc/54/55/94/707545594.db2.gz CJFZZZRRSHBWEU-LLVKDONJSA-N 0 1 308.294 1.149 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882483476 707654121 /nfs/dbraw/zinc/65/41/21/707654121.db2.gz BGYXGWGPFYHXRA-ZDUSSCGKSA-N 0 1 317.349 1.155 20 5 DDBDMN CCN1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000882484461 707654840 /nfs/dbraw/zinc/65/48/40/707654840.db2.gz DCSSWWHBBJYKOF-LLVKDONJSA-N 0 1 323.349 1.193 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000882492889 707663367 /nfs/dbraw/zinc/66/33/67/707663367.db2.gz CPQYDFHWOJCGNZ-SOUVJXGZSA-N 0 1 303.362 1.909 20 5 DDBDMN CC(=O)N1CC[C@@](C)(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837559107 707681474 /nfs/dbraw/zinc/68/14/74/707681474.db2.gz UWMCHMBWRKHDOF-OAHLLOKOSA-N 0 1 322.317 1.602 20 5 DDBDMN COc1cc(C)c(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000839467286 708049796 /nfs/dbraw/zinc/04/97/96/708049796.db2.gz CKVLHJSCGLPEBT-VXGBXAGGSA-N 0 1 308.334 1.636 20 5 DDBDMN CCOc1cc2c(cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-])O[C@@H](C)C2 ZINC000839468565 708049953 /nfs/dbraw/zinc/04/99/53/708049953.db2.gz BWQOYHSILYKEFH-ZWKOPEQDSA-N 0 1 320.345 1.690 20 5 DDBDMN CC(=O)NCC[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886207576 708714877 /nfs/dbraw/zinc/71/48/77/708714877.db2.gz GNZGGQIPUCGZPH-ZDUSSCGKSA-N 0 1 306.366 1.728 20 5 DDBDMN COc1c(C(=O)N2CC[C@@H](N3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912910575 713121743 /nfs/dbraw/zinc/12/17/43/713121743.db2.gz ZUUUYEZWXYQGDM-LLVKDONJSA-N 0 1 305.334 1.524 20 5 DDBDMN Cc1ccccc1CN1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891531409 710228774 /nfs/dbraw/zinc/22/87/74/710228774.db2.gz HQYQFMBJPHGSGK-UHFFFAOYSA-N 0 1 315.377 1.959 20 5 DDBDMN O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000892678533 710480532 /nfs/dbraw/zinc/48/05/32/710480532.db2.gz BWMBIXOZKNKTRW-NSHDSACASA-N 0 1 304.306 1.954 20 5 DDBDMN C[C@@H]1CN(CCCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000893386502 710628271 /nfs/dbraw/zinc/62/82/71/710628271.db2.gz VIFYRYXUALODBZ-GFCCVEGCSA-N 0 1 302.371 1.476 20 5 DDBDMN COC(=O)/C=C\c1ccc(NC[C@@H]2CCN2C)c([N+](=O)[O-])c1 ZINC000895777741 711604145 /nfs/dbraw/zinc/60/41/45/711604145.db2.gz WVGVSDPGOHAWBY-RNZFLTOJSA-N 0 1 305.334 1.897 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896257517 711697333 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCC[C@H]1O ZINC000246751963 408332375 /nfs/dbraw/zinc/33/23/75/408332375.db2.gz OOWAGRPRUYSLNB-IUODEOHRSA-N 0 1 321.377 1.935 20 5 DDBDMN C[C@H](N[C@@H](C)c1cn[nH]c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000274162999 408313503 /nfs/dbraw/zinc/31/35/03/408313503.db2.gz ZOZHVEYJTHXWGB-UWVGGRQHSA-N 0 1 303.322 1.996 20 5 DDBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)[nH]1 ZINC000264077323 408360963 /nfs/dbraw/zinc/36/09/63/408360963.db2.gz IUXHBDZJTXUXNQ-UHFFFAOYSA-N 0 1 320.265 1.799 20 5 DDBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000264077323 408360967 /nfs/dbraw/zinc/36/09/67/408360967.db2.gz IUXHBDZJTXUXNQ-UHFFFAOYSA-N 0 1 320.265 1.799 20 5 DDBDMN C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000183396769 408397247 /nfs/dbraw/zinc/39/72/47/408397247.db2.gz UCTOBWIZMBYLSP-ZETCQYMHSA-N 0 1 324.728 1.637 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cnc2C)n[nH]1 ZINC000161505075 408610581 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DDBDMN COCCOCCOCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000276149343 408823163 /nfs/dbraw/zinc/82/31/63/408823163.db2.gz GDFKCIBKUCBSCF-UHFFFAOYSA-N 0 1 312.366 1.706 20 5 DDBDMN Cc1ccc(C(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285628914 408832167 /nfs/dbraw/zinc/83/21/67/408832167.db2.gz DWTWENZGNXLTMU-LSDHHAIUSA-N 0 1 319.361 1.448 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(N)=O)C1 ZINC000280876168 408851399 /nfs/dbraw/zinc/85/13/99/408851399.db2.gz ZUNTWEIMAUDJGS-MEBBXXQBSA-N 0 1 320.349 1.119 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCc1nc[nH]n1 ZINC000276465422 408863803 /nfs/dbraw/zinc/86/38/03/408863803.db2.gz XOOLIMVCXBYBDG-UHFFFAOYSA-N 0 1 304.310 1.694 20 5 DDBDMN CC[C@H](C)c1nnc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000277420015 408938211 /nfs/dbraw/zinc/93/82/11/408938211.db2.gz AXBOIRCUYCXEAH-BQBZGAKWSA-N 0 1 307.314 1.441 20 5 DDBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000277420015 408938213 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CCO[C@@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000362019684 418740234 /nfs/dbraw/zinc/74/02/34/418740234.db2.gz VOSBJXDNBKUJSD-UKRRQHHQSA-N 0 1 310.350 1.887 20 5 DDBDMN C[C@@H]1COCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000371105293 418762832 /nfs/dbraw/zinc/76/28/32/418762832.db2.gz BIFRNKNGKQODLZ-LBPRGKRZSA-N 0 1 307.350 1.892 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCn3cc(C)nc3C2)c1[N+](=O)[O-] ZINC000371744380 418813411 /nfs/dbraw/zinc/81/34/11/418813411.db2.gz RVUTZVUISPDCQD-UHFFFAOYSA-N 0 1 304.310 1.041 20 5 DDBDMN COc1ccc(OCCN2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 ZINC000372300008 418852610 /nfs/dbraw/zinc/85/26/10/418852610.db2.gz FUKUICNZNQNVDF-AWEZNQCLSA-N 0 1 308.334 1.439 20 5 DDBDMN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1CC1[N+](=O)[O-])CC2 ZINC000372307230 418853671 /nfs/dbraw/zinc/85/36/71/418853671.db2.gz JRQPZCDNXALCJB-GJZGRUSLSA-N 0 1 302.330 1.482 20 5 DDBDMN Cc1noc(C2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)n1 ZINC000372339970 418858277 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DDBDMN C[C@@H]1CN=C(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)S1 ZINC000819768650 704170627 /nfs/dbraw/zinc/17/06/27/704170627.db2.gz ODXYVWYXZGIORC-ZCFIWIBFSA-N 0 1 305.319 1.692 20 5 DDBDMN CC1=NO[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000854791855 704452894 /nfs/dbraw/zinc/45/28/94/704452894.db2.gz WTXAIRAMTSXUOJ-SECBINFHSA-N 0 1 303.278 1.366 20 5 DDBDMN CCCCC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858892940 704769321 /nfs/dbraw/zinc/76/93/21/704769321.db2.gz PWUWWZIEZMHNGD-SECBINFHSA-N 0 1 304.372 1.575 20 5 DDBDMN C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000874832359 705190454 /nfs/dbraw/zinc/19/04/54/705190454.db2.gz FCSSTCSKVGEKBB-NEPJUHHUSA-N 0 1 305.334 1.609 20 5 DDBDMN C[C@@H](CCCOC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000861067592 705362423 /nfs/dbraw/zinc/36/24/23/705362423.db2.gz JLHKHGUMCWOBDB-HBNTYKKESA-N 0 1 316.354 1.888 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](OC)(C(=O)[O-])C1 ZINC000863475113 705936276 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O=C(CCc1c[nH]nn1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094130068 775466300 /nfs/dbraw/zinc/46/63/00/775466300.db2.gz RAGYOMGXWMCKLQ-UHFFFAOYSA-N 0 1 322.300 1.013 20 5 DDBDMN O=C(CCc1cnn[nH]1)NCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094130068 775466303 /nfs/dbraw/zinc/46/63/03/775466303.db2.gz RAGYOMGXWMCKLQ-UHFFFAOYSA-N 0 1 322.300 1.013 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CN2CCCC2)c1 ZINC001094434634 775859091 /nfs/dbraw/zinc/85/90/91/775859091.db2.gz NUTGMVJHVFUDCV-UHFFFAOYSA-N 0 1 320.393 1.917 20 5 DDBDMN O=C(NCCCNc1ccc(F)cc1[N+](=O)[O-])c1ncn[nH]1 ZINC001094533173 775993174 /nfs/dbraw/zinc/99/31/74/775993174.db2.gz LUEMRLFKBRWVDY-UHFFFAOYSA-N 0 1 308.273 1.084 20 5 DDBDMN O=C(NCCCNc1ccc(F)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC001094533173 775993182 /nfs/dbraw/zinc/99/31/82/775993182.db2.gz LUEMRLFKBRWVDY-UHFFFAOYSA-N 0 1 308.273 1.084 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](CO)C2)c1F ZINC001173188883 777036638 /nfs/dbraw/zinc/03/66/38/777036638.db2.gz 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1.269 20 5 DDBDMN COC[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265357567 408623297 /nfs/dbraw/zinc/62/32/97/408623297.db2.gz ALTCJMSLWBBKDG-CYBMUJFWSA-N 0 1 323.374 1.815 20 5 DDBDMN Cc1cc(C[C@H](C)NC(=O)COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000161745018 408634024 /nfs/dbraw/zinc/63/40/24/408634024.db2.gz UDZGAUBPMUJKCW-JTQLQIEISA-N 0 1 318.333 1.753 20 5 DDBDMN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270751478 408665274 /nfs/dbraw/zinc/66/52/74/408665274.db2.gz JVZNMLCHPCQUBN-SNVBAGLBSA-N 0 1 302.290 1.798 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000270784745 408681667 /nfs/dbraw/zinc/68/16/67/408681667.db2.gz TZRIBJNWYKPFCS-ZETCQYMHSA-N 0 1 304.310 1.349 20 5 DDBDMN CC(C)C[C@@H](CO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185371890 408801364 /nfs/dbraw/zinc/80/13/64/408801364.db2.gz SVDXINWJTKOVKD-ZDUSSCGKSA-N 0 1 309.366 1.533 20 5 DDBDMN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000163075446 408756663 /nfs/dbraw/zinc/75/66/63/408756663.db2.gz QQRIJAKCHOSSLN-SNVBAGLBSA-N 0 1 305.334 1.515 20 5 DDBDMN COc1cccc(Cl)c1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000191889890 163208480 /nfs/dbraw/zinc/20/84/80/163208480.db2.gz RWIUJKGTZIMOOB-UHFFFAOYSA-N 0 1 310.697 1.910 20 5 DDBDMN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291885409 408939767 /nfs/dbraw/zinc/93/97/67/408939767.db2.gz QKEMPSZWWFGQGW-CYBMUJFWSA-N 0 1 307.350 1.693 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000278071051 409061127 /nfs/dbraw/zinc/06/11/27/409061127.db2.gz VXINIPQZCMZMSV-CYBMUJFWSA-N 0 1 320.393 1.269 20 5 DDBDMN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293344288 409093909 /nfs/dbraw/zinc/09/39/09/409093909.db2.gz HINDBIVOZCRWTN-TXEJJXNPSA-N 0 1 306.366 1.558 20 5 DDBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279166686 409162578 /nfs/dbraw/zinc/16/25/78/409162578.db2.gz GQYKMJMWTXYWGV-LLVKDONJSA-N 0 1 322.365 1.248 20 5 DDBDMN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289042717 409211370 /nfs/dbraw/zinc/21/13/70/409211370.db2.gz XOOVUDJRNWGYOU-UHFFFAOYSA-N 0 1 324.362 1.537 20 5 DDBDMN COC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279591770 409242803 /nfs/dbraw/zinc/24/28/03/409242803.db2.gz WKRFMFMQVOOYLF-QWHCGFSZSA-N 0 1 310.306 1.224 20 5 DDBDMN CN(C(=O)CN1CCC[C@](C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280275885 409283181 /nfs/dbraw/zinc/28/31/81/409283181.db2.gz YNEVBANIAGAOLW-INIZCTEOSA-N 0 1 321.377 1.795 20 5 DDBDMN C[C@H](CCO)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000296035150 409405614 /nfs/dbraw/zinc/40/56/14/409405614.db2.gz BCZTULOBVVNTDO-VIFPVBQESA-N 0 1 320.342 1.421 20 5 DDBDMN CN(C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccco1 ZINC000290547289 409440900 /nfs/dbraw/zinc/44/09/00/409440900.db2.gz QAKCUZAGZBTGHD-SNVBAGLBSA-N 0 1 319.321 1.397 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000408438941 164332422 /nfs/dbraw/zinc/33/24/22/164332422.db2.gz MFDGOTCFZWRAII-MWLCHTKSSA-N 0 1 308.338 1.521 20 5 DDBDMN COc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000331547553 409623364 /nfs/dbraw/zinc/62/33/64/409623364.db2.gz RJEXWSJLZBASTJ-NSHDSACASA-N 0 1 305.334 1.570 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000346057071 409743848 /nfs/dbraw/zinc/74/38/48/409743848.db2.gz UJAWROYQPHOHLL-QWHCGFSZSA-N 0 1 321.377 1.915 20 5 DDBDMN CC[C@@H](C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000297053040 409776634 /nfs/dbraw/zinc/77/66/34/409776634.db2.gz UGGIJDGCANGTLK-GFCCVEGCSA-N 0 1 323.397 1.433 20 5 DDBDMN O=C(NCCc1csc(=O)[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357074457 409842678 /nfs/dbraw/zinc/84/26/78/409842678.db2.gz DIBTVMKYRQRFLE-UHFFFAOYSA-N 0 1 309.303 1.435 20 5 DDBDMN CN(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH]1 ZINC000357427596 410033693 /nfs/dbraw/zinc/03/36/93/410033693.db2.gz UQIOMDJANTUEDY-UHFFFAOYSA-N 0 1 315.293 1.513 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n[nH]1 ZINC000343347245 410381945 /nfs/dbraw/zinc/38/19/45/410381945.db2.gz VFAIHMGVVFYLPO-SSDOTTSWSA-N 0 1 314.305 1.994 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000343511884 410503124 /nfs/dbraw/zinc/50/31/24/410503124.db2.gz JGHXPOMPNDTBTQ-GWCFXTLKSA-N 0 1 307.350 1.816 20 5 DDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[S@@]1=O ZINC000352305049 410611919 /nfs/dbraw/zinc/61/19/19/410611919.db2.gz IRPIVFPMAKLCPH-PJLCYMMNSA-N 0 1 322.346 1.064 20 5 DDBDMN Cc1cc(OCC(=O)N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331208983 411018295 /nfs/dbraw/zinc/01/82/95/411018295.db2.gz WHJBVOMOGOBAQI-CHWSQXEVSA-N 0 1 321.377 1.833 20 5 DDBDMN Cc1c(C(=O)N[C@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000295633397 225068207 /nfs/dbraw/zinc/06/82/07/225068207.db2.gz ZMECBTLPZHFAFP-ZDUSSCGKSA-N 0 1 321.377 1.480 20 5 DDBDMN COc1cc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1Cl ZINC000360797534 418520195 /nfs/dbraw/zinc/52/01/95/418520195.db2.gz PHSHYVHKNOJQPW-UHFFFAOYSA-N 0 1 324.724 1.952 20 5 DDBDMN Cc1ccc(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000374702969 418556960 /nfs/dbraw/zinc/55/69/60/418556960.db2.gz TZMDRCXUMMQGPB-OLZOCXBDSA-N 0 1 305.334 1.425 20 5 DDBDMN CCCn1nccc1C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000367130400 418563510 /nfs/dbraw/zinc/56/35/10/418563510.db2.gz GJBCNVGCFZSSLW-GXTWGEPZSA-N 0 1 306.366 1.664 20 5 DDBDMN Nc1nc(N[C@@H](c2nnc[nH]2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000375177987 418615885 /nfs/dbraw/zinc/61/58/85/418615885.db2.gz SEBZEGDUKLOQRR-SNVBAGLBSA-N 0 1 312.293 1.287 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](O)C2(CC2)C1 ZINC000375289083 418625496 /nfs/dbraw/zinc/62/54/96/418625496.db2.gz UTROUYPKVFBUSJ-NSHDSACASA-N 0 1 302.290 1.068 20 5 DDBDMN C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000375513092 418652290 /nfs/dbraw/zinc/65/22/90/418652290.db2.gz UGHVPMAEECOWKG-GFCCVEGCSA-N 0 1 322.365 1.515 20 5 DDBDMN CCOc1cc(CN(CCO)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361584685 418686188 /nfs/dbraw/zinc/68/61/88/418686188.db2.gz FXXXBGZECLMMND-TZMCWYRMSA-N 0 1 324.377 1.965 20 5 DDBDMN Cc1ccc(N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000364792173 418811236 /nfs/dbraw/zinc/81/12/36/418811236.db2.gz CRSKZCUNBBWHSF-CHWSQXEVSA-N 0 1 304.350 1.140 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000364818924 418813101 /nfs/dbraw/zinc/81/31/01/418813101.db2.gz ZQTWTHRYNGHCHO-FZMZJTMJSA-N 0 1 319.361 1.857 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364933277 418825458 /nfs/dbraw/zinc/82/54/58/418825458.db2.gz MCAKHAHZJYAURR-ZDUSSCGKSA-N 0 1 321.377 1.432 20 5 DDBDMN C[C@H](CO)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372733276 418897550 /nfs/dbraw/zinc/89/75/50/418897550.db2.gz WIKCEHODRVPCBF-GFCCVEGCSA-N 0 1 307.350 1.124 20 5 DDBDMN C[C@H](NCC(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000411776168 419402692 /nfs/dbraw/zinc/40/26/92/419402692.db2.gz ZNVFEPIDEWGOAV-SMDDNHRTSA-N 0 1 307.350 1.541 20 5 DDBDMN C[C@@H]1C[C@H](CO)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936978 419368764 /nfs/dbraw/zinc/36/87/64/419368764.db2.gz JFWLARRQKOJEGQ-OLZOCXBDSA-N 0 1 321.377 1.508 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000423592451 420091671 /nfs/dbraw/zinc/09/16/71/420091671.db2.gz LNDMHNQOSHGLTK-TXEJJXNPSA-N 0 1 319.361 1.960 20 5 DDBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000430231955 420092334 /nfs/dbraw/zinc/09/23/34/420092334.db2.gz DNRHJSRXBUYVDY-GWCFXTLKSA-N 0 1 308.334 1.987 20 5 DDBDMN O=c1onc(-c2cccnc2)n1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436473561 420329095 /nfs/dbraw/zinc/32/90/95/420329095.db2.gz HFWBSVBUMJQHCO-UHFFFAOYSA-N 0 1 314.257 1.560 20 5 DDBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000436643234 420347292 /nfs/dbraw/zinc/34/72/92/420347292.db2.gz DTKFDNHTTNSSJB-UHFFFAOYSA-N 0 1 304.262 1.869 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1CCO ZINC000452789160 420661876 /nfs/dbraw/zinc/66/18/76/420661876.db2.gz AFWAGTRNKJGULS-ZDUSSCGKSA-N 0 1 321.377 1.480 20 5 DDBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000493433398 420848679 /nfs/dbraw/zinc/84/86/79/420848679.db2.gz YMYZFFIRZYUJKD-RQOWECAXSA-N 0 1 318.268 1.066 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000456356786 421147667 /nfs/dbraw/zinc/14/76/67/421147667.db2.gz RYUJHUOEQZMVDA-CYBMUJFWSA-N 0 1 323.397 1.433 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489375311 421150991 /nfs/dbraw/zinc/15/09/91/421150991.db2.gz OUUNVGKJNPIQFX-CYBMUJFWSA-N 0 1 323.397 1.288 20 5 DDBDMN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496661238 421293335 /nfs/dbraw/zinc/29/33/35/421293335.db2.gz QDJSQGCYINMTJM-GMTAPVOTSA-N 0 1 313.354 1.167 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@H](C)C1 ZINC000561810881 421335775 /nfs/dbraw/zinc/33/57/75/421335775.db2.gz MXYJRYNLZLEFMR-NXEZZACHSA-N 0 1 309.370 1.191 20 5 DDBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000533310309 421671170 /nfs/dbraw/zinc/67/11/70/421671170.db2.gz HAZHFDCHKFGDKB-UHFFFAOYSA-N 0 1 319.361 1.595 20 5 DDBDMN CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000522167698 421818740 /nfs/dbraw/zinc/81/87/40/421818740.db2.gz YXZPBYLRAOAIBT-JTQLQIEISA-N 0 1 308.338 1.156 20 5 DDBDMN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000522167698 421818742 /nfs/dbraw/zinc/81/87/42/421818742.db2.gz YXZPBYLRAOAIBT-JTQLQIEISA-N 0 1 308.338 1.156 20 5 DDBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581671618 422023037 /nfs/dbraw/zinc/02/30/37/422023037.db2.gz AWZNTVHSJVBJHX-SECBINFHSA-N 0 1 304.306 1.910 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000346050862 272399434 /nfs/dbraw/zinc/39/94/34/272399434.db2.gz RIDGHJDJRIVRCO-RYUDHWBXSA-N 0 1 323.397 1.431 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Cc1sc(C(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000344137615 410983915 /nfs/dbraw/zinc/98/39/15/410983915.db2.gz IBNFYVXHXHOQQL-UHFFFAOYSA-N 0 1 309.351 2.564 20 5 DDBDMN CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1OC)c1nn[nH]n1 ZINC000356367282 410990874 /nfs/dbraw/zinc/99/08/74/410990874.db2.gz MIPWORXCUBRHGE-SECBINFHSA-N 0 1 320.309 1.388 20 5 DDBDMN COCCN1CC[C@@H](Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360137188 411067702 /nfs/dbraw/zinc/06/77/02/411067702.db2.gz YQXJKAZAERFWMC-GFCCVEGCSA-N 0 1 323.349 1.514 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000580452354 422935670 /nfs/dbraw/zinc/93/56/70/422935670.db2.gz YZTNFMCGAHHUCD-PWSUYJOCSA-N 0 1 320.349 1.527 20 5 DDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCCCc1nc[nH]n1 ZINC000580535530 422939714 /nfs/dbraw/zinc/93/97/14/422939714.db2.gz MQORLWXFMYXBHZ-UHFFFAOYSA-N 0 1 303.322 1.395 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCc3ccsc3C2)c1 ZINC000132594135 196268996 /nfs/dbraw/zinc/26/89/96/196268996.db2.gz YVJJYHMUPZPFBU-GFCCVEGCSA-N 0 1 308.363 1.272 20 5 DDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134297459 196377891 /nfs/dbraw/zinc/37/78/91/196377891.db2.gz HRZONIXXDDLLAZ-NSHDSACASA-N 0 1 324.356 1.100 20 5 DDBDMN O=C(NC[C@@H](CO)c1ccccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000360495394 418450972 /nfs/dbraw/zinc/45/09/72/418450972.db2.gz HNMJYTMEWODSFM-QMMMGPOBSA-N 0 1 324.724 1.477 20 5 DDBDMN CC(C)c1nccc(C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000374313561 418516061 /nfs/dbraw/zinc/51/60/61/418516061.db2.gz UUOVMCFEFPEJMP-TZMCWYRMSA-N 0 1 318.377 1.971 20 5 DDBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000360814693 418524145 /nfs/dbraw/zinc/52/41/45/418524145.db2.gz SZBWKSCGVKXMMJ-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN CN(CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)Cc1ccc(F)cc1 ZINC000360898965 418543483 /nfs/dbraw/zinc/54/34/83/418543483.db2.gz ZSEAAYZIKKGCFG-UHFFFAOYSA-N 0 1 320.324 1.924 20 5 DDBDMN O=c1[n-]nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC000295417428 418586431 /nfs/dbraw/zinc/58/64/31/418586431.db2.gz TYEQMEWTJWCULS-JTQLQIEISA-N 0 1 322.296 1.790 20 5 DDBDMN O=c1[n-]nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC000295417428 418586433 /nfs/dbraw/zinc/58/64/33/418586433.db2.gz TYEQMEWTJWCULS-JTQLQIEISA-N 0 1 322.296 1.790 20 5 DDBDMN Nc1ccc(N2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000367363028 418591732 /nfs/dbraw/zinc/59/17/32/418591732.db2.gz KLWLILNFUJFBJG-GFCCVEGCSA-N 0 1 306.366 1.336 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000291274523 222278172 /nfs/dbraw/zinc/27/81/72/222278172.db2.gz QVUNFGKHBRXWBB-JTQLQIEISA-N 0 1 318.337 1.554 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466477 418643528 /nfs/dbraw/zinc/64/35/28/418643528.db2.gz UTCJBFGAKJUZCT-NSHDSACASA-N 0 1 318.337 1.541 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000375227834 418619839 /nfs/dbraw/zinc/61/98/39/418619839.db2.gz XGXYSWMNUXXCHX-UONOGXRCSA-N 0 1 322.336 1.387 20 5 DDBDMN COC(=O)[C@@]12CCC[C@@H]1CN(Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796406 418635720 /nfs/dbraw/zinc/63/57/20/418635720.db2.gz RIMFLMHQOWPCCW-QMTHXVAHSA-N 0 1 308.338 1.103 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000408028734 418782476 /nfs/dbraw/zinc/78/24/76/418782476.db2.gz FMMSCEYJTUAKGG-QWHCGFSZSA-N 0 1 306.366 1.516 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000408028734 418782478 /nfs/dbraw/zinc/78/24/78/418782478.db2.gz FMMSCEYJTUAKGG-QWHCGFSZSA-N 0 1 306.366 1.516 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCCN2CCN3CCOC[C@H]3C2)cc1 ZINC000371827899 418820274 /nfs/dbraw/zinc/82/02/74/418820274.db2.gz BCUJNUMRAKMFRF-OAHLLOKOSA-N 0 1 321.377 1.380 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000372786277 418902602 /nfs/dbraw/zinc/90/26/02/418902602.db2.gz RHXMXBMDKLJGCO-SUHUHFCYSA-N 0 1 300.318 1.715 20 5 DDBDMN Cc1ccc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425068781 228360439 /nfs/dbraw/zinc/36/04/39/228360439.db2.gz UOFDSMSOWKSJPV-LLVKDONJSA-N 0 1 301.306 1.651 20 5 DDBDMN [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415122365 419954459 /nfs/dbraw/zinc/95/44/59/419954459.db2.gz IFIBBJGSHYNXIU-CQSZACIVSA-N 0 1 316.365 1.482 20 5 DDBDMN O=C([C@@H]1CNCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730946 420147235 /nfs/dbraw/zinc/14/72/35/420147235.db2.gz XFLDWAZLSYDDCJ-AWEZNQCLSA-N 0 1 305.334 1.074 20 5 DDBDMN COc1cc(N2CC[C@@H](c3nc[nH]n3)C2)c(F)cc1[N+](=O)[O-] ZINC000425286061 420340801 /nfs/dbraw/zinc/34/08/01/420340801.db2.gz PSKGPOLBGXQWKV-MRVPVSSYSA-N 0 1 307.285 1.855 20 5 DDBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000436906577 420382319 /nfs/dbraw/zinc/38/23/19/420382319.db2.gz QRZYSPXSVUPLTP-UHFFFAOYSA-N 0 1 316.273 1.733 20 5 DDBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1n[nH]c(C2CC2)n1 ZINC000450629802 420502290 /nfs/dbraw/zinc/50/22/90/420502290.db2.gz RLMNWQDIMOVEBQ-UHFFFAOYSA-N 0 1 316.321 1.562 20 5 DDBDMN C[C@H](CN(C)C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000492439747 420558945 /nfs/dbraw/zinc/55/89/45/420558945.db2.gz LFBDPSOZMGSVML-DAGBOUIGSA-N 0 1 316.321 1.383 20 5 DDBDMN CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000452889084 420675891 /nfs/dbraw/zinc/67/58/91/420675891.db2.gz PTKRMJHNNKUXJS-TVQRCGJNSA-N 0 1 318.333 1.968 20 5 DDBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[NH2+]C1 ZINC000440838587 420612977 /nfs/dbraw/zinc/61/29/77/420612977.db2.gz SWFSWXJWMKREND-QMMMGPOBSA-N 0 1 319.770 1.136 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)n[nH]1 ZINC000456012997 421088236 /nfs/dbraw/zinc/08/82/36/421088236.db2.gz IQHFGUZJMIXSMO-SSDOTTSWSA-N 0 1 319.325 1.203 20 5 DDBDMN CC(C)(C)OC(=O)N1CC(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000495943203 421099833 /nfs/dbraw/zinc/09/98/33/421099833.db2.gz QRVYOUGGKAOKCQ-GHMZBOCLSA-N 0 1 314.338 1.452 20 5 DDBDMN C[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000560002329 421232085 /nfs/dbraw/zinc/23/20/85/421232085.db2.gz CLGXWSIKABQEAG-YGRLFVJLSA-N 0 1 312.391 1.995 20 5 DDBDMN O=[N+]([O-])c1ncn(CCCN2CCN(c3ccccc3)CC2)n1 ZINC000505525287 421419126 /nfs/dbraw/zinc/41/91/26/421419126.db2.gz BOROOMBMODQRAV-UHFFFAOYSA-N 0 1 316.365 1.399 20 5 DDBDMN C[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CC(C)C1 ZINC000514871808 421462035 /nfs/dbraw/zinc/46/20/35/421462035.db2.gz KMAGTTILCKSINF-CYBMUJFWSA-N 0 1 305.378 1.936 20 5 DDBDMN COCCN1CC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000516225690 421535013 /nfs/dbraw/zinc/53/50/13/421535013.db2.gz ATCQPMDXXIVKGQ-OCCSQVGLSA-N 0 1 321.377 1.535 20 5 DDBDMN C[C@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000578511305 422585611 /nfs/dbraw/zinc/58/56/11/422585611.db2.gz NHJWKFWQOKRXRN-DTWKUNHWSA-N 0 1 306.322 1.725 20 5 DDBDMN CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000341776957 271209709 /nfs/dbraw/zinc/20/97/09/271209709.db2.gz OHZWGOQWANFPEE-LLVKDONJSA-N 0 1 309.341 1.829 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000344426751 272023549 /nfs/dbraw/zinc/02/35/49/272023549.db2.gz PUJQHSUKLGSAPL-GHMZBOCLSA-N 0 1 306.366 1.853 20 5 DDBDMN CCOc1cccc(N2CCN(C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000273152705 276381212 /nfs/dbraw/zinc/38/12/12/276381212.db2.gz IGQHTGFELDVGAI-STQMWFEESA-N 0 1 323.393 1.885 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000269378515 278000428 /nfs/dbraw/zinc/00/04/28/278000428.db2.gz ISXYTJTXMWTNIR-NXEZZACHSA-N 0 1 308.338 1.835 20 5 DDBDMN Cc1sc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000125825262 281217478 /nfs/dbraw/zinc/21/74/78/281217478.db2.gz BUFYYSVSXDGMON-YFKPBYRVSA-N 0 1 317.352 1.122 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@@H](C)O)C(C)C ZINC000107043106 281261361 /nfs/dbraw/zinc/26/13/61/281261361.db2.gz RWWHFUCXUNISPY-GFCCVEGCSA-N 0 1 309.366 1.933 20 5 DDBDMN COc1cccc(N2CCN(CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000302570132 295305664 /nfs/dbraw/zinc/30/56/64/295305664.db2.gz YQKVHBVYVMOYJV-UHFFFAOYSA-N 0 1 309.366 1.496 20 5 DDBDMN CCn1ncnc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000357931084 299023473 /nfs/dbraw/zinc/02/34/73/299023473.db2.gz PMBGIWBKWMBHFA-UHFFFAOYSA-N 0 1 315.293 1.013 20 5 DDBDMN Nc1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000363313489 300249366 /nfs/dbraw/zinc/24/93/66/300249366.db2.gz RIRVGGXKVCCGLL-JTQLQIEISA-N 0 1 316.321 1.315 20 5 DDBDMN Cc1csc(NC2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000364284864 300369071 /nfs/dbraw/zinc/36/90/71/300369071.db2.gz XNGMEEHUDFCJQE-WDEREUQCSA-N 0 1 310.379 1.520 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21 ZINC000368597042 301062028 /nfs/dbraw/zinc/06/20/28/301062028.db2.gz WQRWHLLWPDPENK-GXFFZTMASA-N 0 1 305.334 1.467 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000378032234 302267462 /nfs/dbraw/zinc/26/74/62/302267462.db2.gz ZSEKNZMHCLVFJJ-UMVBOHGHSA-N 0 1 301.346 1.315 20 5 DDBDMN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000397191839 302352419 /nfs/dbraw/zinc/35/24/19/302352419.db2.gz OZHNMSLPHCBVLP-UHFFFAOYSA-N 0 1 321.786 1.654 20 5 DDBDMN O=C(NCc1nccn1C(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356512230 306853644 /nfs/dbraw/zinc/85/36/44/306853644.db2.gz LWFQQDRYLRAYPG-UHFFFAOYSA-N 0 1 312.232 1.822 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2nnco2)CC1 ZINC000514867931 302751164 /nfs/dbraw/zinc/75/11/64/302751164.db2.gz YEBUXXHRTYNPCU-UHFFFAOYSA-N 0 1 318.289 1.703 20 5 DDBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000517376148 302812340 /nfs/dbraw/zinc/81/23/40/302812340.db2.gz JAOKSGDUEQFAAW-DZGCQCFKSA-N 0 1 320.393 1.663 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(Oc2ncccc2F)CC1 ZINC000369642153 307125548 /nfs/dbraw/zinc/12/55/48/307125548.db2.gz VPHYVZMTXHXHSU-JQWIXIFHSA-N 0 1 309.297 1.256 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000371936620 307160528 /nfs/dbraw/zinc/16/05/28/307160528.db2.gz JAKKGKQNKXWDED-TZMCWYRMSA-N 0 1 302.330 1.700 20 5 DDBDMN COc1ccc([C@H](O)[C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000373163604 307180660 /nfs/dbraw/zinc/18/06/60/307180660.db2.gz BGCJCJBUFUBQLM-QPSCCSFWSA-N 0 1 320.345 1.385 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000373513741 307189482 /nfs/dbraw/zinc/18/94/82/307189482.db2.gz DEEGBRCRRBXBAA-RAIGVLPGSA-N 0 1 312.272 1.530 20 5 DDBDMN C[C@@H]1C[C@]2(CCO1)C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000374013400 307199537 /nfs/dbraw/zinc/19/95/37/307199537.db2.gz HRJSDBHLFONXHR-UMVBOHGHSA-N 0 1 324.381 1.450 20 5 DDBDMN C[C@@H]1C[C@]2(CCO1)CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000374013400 307199538 /nfs/dbraw/zinc/19/95/38/307199538.db2.gz HRJSDBHLFONXHR-UMVBOHGHSA-N 0 1 324.381 1.450 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H](CO)C2)c1 ZINC000374047151 307200432 /nfs/dbraw/zinc/20/04/32/307200432.db2.gz ANYIWNKVDZIZNQ-DZGCQCFKSA-N 0 1 324.377 1.429 20 5 DDBDMN C[C@H]1COCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000374349474 307206268 /nfs/dbraw/zinc/20/62/68/307206268.db2.gz HVQYTMKKQWBSML-SECBINFHSA-N 0 1 304.306 1.580 20 5 DDBDMN Cc1nc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2n1CCCC2 ZINC000378311003 307285336 /nfs/dbraw/zinc/28/53/36/307285336.db2.gz PQTRRNYXXZFIBH-UHFFFAOYSA-N 0 1 304.310 1.089 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000565035248 308017506 /nfs/dbraw/zinc/01/75/06/308017506.db2.gz LZPNCBCNADIMGU-ZJUUUORDSA-N 0 1 308.338 1.525 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(S(C)(=O)=O)C1 ZINC000565085323 308019390 /nfs/dbraw/zinc/01/93/90/308019390.db2.gz NRRNTYIKPIHXNM-LBPRGKRZSA-N 0 1 313.379 1.027 20 5 DDBDMN CC[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OC ZINC000568621757 308124918 /nfs/dbraw/zinc/12/49/18/308124918.db2.gz HKTQINRGRRKETL-LBPRGKRZSA-N 0 1 316.379 1.383 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC000570658788 308175892 /nfs/dbraw/zinc/17/58/92/308175892.db2.gz AIARXIWJIOBIQZ-MWLCHTKSSA-N 0 1 320.349 1.521 20 5 DDBDMN C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000573206202 308233998 /nfs/dbraw/zinc/23/39/98/308233998.db2.gz ZVHRBRHPBPSVJZ-MNOVXSKESA-N 0 1 321.333 1.576 20 5 DDBDMN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000573206202 308234000 /nfs/dbraw/zinc/23/40/00/308234000.db2.gz ZVHRBRHPBPSVJZ-MNOVXSKESA-N 0 1 321.333 1.576 20 5 DDBDMN COc1ccc(OCC[N@@H+](C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000576285306 308303475 /nfs/dbraw/zinc/30/34/75/308303475.db2.gz AUWJLINIFSWAIT-SNVBAGLBSA-N 0 1 312.322 1.635 20 5 DDBDMN C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000332246174 534038159 /nfs/dbraw/zinc/03/81/59/534038159.db2.gz WYDXUOJXCKNQAC-SNVBAGLBSA-N 0 1 314.363 1.309 20 5 DDBDMN C[C@@H](N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)O ZINC000295148816 534284534 /nfs/dbraw/zinc/28/45/34/534284534.db2.gz LUOYGPBOOBDDFG-LLVKDONJSA-N 0 1 321.377 1.575 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H]1CO ZINC000295928964 534653612 /nfs/dbraw/zinc/65/36/12/534653612.db2.gz KENGGIDLIRUEKJ-GFCCVEGCSA-N 0 1 316.317 1.582 20 5 DDBDMN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452930159 534725881 /nfs/dbraw/zinc/72/58/81/534725881.db2.gz MGMDJYWMGVSLPN-LSDHHAIUSA-N 0 1 320.345 1.827 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000412447524 528544882 /nfs/dbraw/zinc/54/48/82/528544882.db2.gz QQPNCQVZGXDXMX-LBPRGKRZSA-N 0 1 322.365 1.912 20 5 DDBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nnc[nH]1 ZINC000174826721 536308153 /nfs/dbraw/zinc/30/81/53/536308153.db2.gz OVWDALGGVYIXPY-UHFFFAOYSA-N 0 1 304.310 1.174 20 5 DDBDMN Cc1cc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n[nH]1 ZINC000737265401 598830508 /nfs/dbraw/zinc/83/05/08/598830508.db2.gz VCPPHARUOQIHSR-UHFFFAOYSA-N 0 1 300.282 1.419 20 5 DDBDMN C[N@H+](CCC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000737992495 596998692 /nfs/dbraw/zinc/99/86/92/596998692.db2.gz FRTACNSZQWVBHM-UHFFFAOYSA-N 0 1 306.278 1.551 20 5 DDBDMN C[N@@H+](CCC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000737992495 596998695 /nfs/dbraw/zinc/99/86/95/596998695.db2.gz FRTACNSZQWVBHM-UHFFFAOYSA-N 0 1 306.278 1.551 20 5 DDBDMN O=C([O-])[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000819286991 597537338 /nfs/dbraw/zinc/53/73/38/597537338.db2.gz LZUFOCYULANKOJ-NSHDSACASA-N 0 1 317.305 1.217 20 5 DDBDMN Cc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000821070066 598068960 /nfs/dbraw/zinc/06/89/60/598068960.db2.gz OTXCERJYUOLKAS-LBPRGKRZSA-N 0 1 322.317 1.609 20 5 DDBDMN O=C([O-])C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000833249148 601462532 /nfs/dbraw/zinc/46/25/32/601462532.db2.gz GKLPDEYEUMPCCS-UHFFFAOYSA-N 0 1 308.290 1.510 20 5 DDBDMN Cc1cc(NCCC[NH+]2CCN(C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000830123073 603890159 /nfs/dbraw/zinc/89/01/59/603890159.db2.gz RIGUSZDRJZXHNZ-UHFFFAOYSA-N 0 1 323.353 1.396 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(C(=O)[O-])CC2)n1 ZINC000830428535 604865655 /nfs/dbraw/zinc/86/56/55/604865655.db2.gz WSYKGHDXCNABLD-UHFFFAOYSA-N 0 1 323.353 1.396 20 5 DDBDMN C[NH+](C)CC(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821583494 607161374 /nfs/dbraw/zinc/16/13/74/607161374.db2.gz XQAYDQHSWOWTPC-UHFFFAOYSA-N 0 1 320.357 1.170 20 5 DDBDMN C[NH+](C)CC(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821583494 607161376 /nfs/dbraw/zinc/16/13/76/607161376.db2.gz XQAYDQHSWOWTPC-UHFFFAOYSA-N 0 1 320.357 1.170 20 5 DDBDMN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC000973255381 695454513 /nfs/dbraw/zinc/45/45/13/695454513.db2.gz DZBKXIVXPYQIGC-AAVRWANBSA-N 0 1 321.377 1.161 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(CCCCO)CC1 ZINC000797518952 700012972 /nfs/dbraw/zinc/01/29/72/700012972.db2.gz PJAVCTIDTYEQNV-UHFFFAOYSA-N 0 1 323.393 1.494 20 5 DDBDMN COc1ccccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000057748662 696299427 /nfs/dbraw/zinc/29/94/27/696299427.db2.gz KZMYMFWBOFGOCC-UHFFFAOYSA-N 0 1 323.330 1.986 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000747875658 700091044 /nfs/dbraw/zinc/09/10/44/700091044.db2.gz XQZVUDXGDSVZFK-UHFFFAOYSA-N 0 1 314.305 1.292 20 5 DDBDMN C[C@@H](CC(N)=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162234795 697327118 /nfs/dbraw/zinc/32/71/18/697327118.db2.gz WBVSMWALPKOCMO-ZETCQYMHSA-N 0 1 316.155 1.711 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](OCCO)C2)cc1 ZINC000776585045 698122152 /nfs/dbraw/zinc/12/21/52/698122152.db2.gz RQPJJGMQMHEHPO-HUUCEWRRSA-N 0 1 310.350 1.102 20 5 DDBDMN CC(C)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000796185093 699918107 /nfs/dbraw/zinc/91/81/07/699918107.db2.gz GCXOJIQGVOAQGQ-KGLIPLIRSA-N 0 1 319.365 1.744 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(CCC3OCCCO3)CC2)cn1 ZINC000754638930 700515630 /nfs/dbraw/zinc/51/56/30/700515630.db2.gz LDROHCVARSSUMJ-UHFFFAOYSA-N 0 1 322.365 1.265 20 5 DDBDMN Cc1cc(CC(=O)OCCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000756704121 700636795 /nfs/dbraw/zinc/63/67/95/700636795.db2.gz DKFLMJGLKSSKGA-UHFFFAOYSA-N 0 1 305.290 1.791 20 5 DDBDMN Cc1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000758425935 700705030 /nfs/dbraw/zinc/70/50/30/700705030.db2.gz FLUQYEVZWMHKJX-UHFFFAOYSA-N 0 1 308.319 1.802 20 5 DDBDMN O=C(NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839527336 701725343 /nfs/dbraw/zinc/72/53/43/701725343.db2.gz LSKXEGUAJGNVRJ-ZIAGYGMSSA-N 0 1 317.345 1.090 20 5 DDBDMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000839539501 701730049 /nfs/dbraw/zinc/73/00/49/701730049.db2.gz VRPYSOAZRUPZSD-FPQZTECRSA-N 0 1 320.349 1.299 20 5 DDBDMN O=C(NCCNc1ccc2ccccc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686186 701783514 /nfs/dbraw/zinc/78/35/14/701783514.db2.gz MLIICBHMFBBHJI-DGCLKSJQSA-N 0 1 300.318 1.428 20 5 DDBDMN CCc1ccc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000839695873 701787687 /nfs/dbraw/zinc/78/76/87/701787687.db2.gz GRRKMVGIZGXKTP-HUUCEWRRSA-N 0 1 303.362 1.563 20 5 DDBDMN O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839701319 701789681 /nfs/dbraw/zinc/78/96/81/701789681.db2.gz PNLUZXZFJPTCMR-YGOYTEALSA-N 0 1 311.288 1.325 20 5 DDBDMN C[C@H](c1nccs1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839726055 701799217 /nfs/dbraw/zinc/79/92/17/701799217.db2.gz RWFLTWJIPYMNPH-GMTAPVOTSA-N 0 1 310.379 1.014 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000839781964 701824949 /nfs/dbraw/zinc/82/49/49/701824949.db2.gz CIJLILRLSPJJFK-IACUBPJLSA-N 0 1 319.317 1.966 20 5 DDBDMN C[C@@](N)(C(=O)NC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000867945306 701846698 /nfs/dbraw/zinc/84/66/98/701846698.db2.gz TXNQARWSLZRGSI-JSGCOSHPSA-N 0 1 309.391 1.781 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840363868 702085716 /nfs/dbraw/zinc/08/57/16/702085716.db2.gz DYNJXZCSUBVQAZ-NQBHXWOUSA-N 0 1 323.330 1.834 20 5 DDBDMN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840410958 702101135 /nfs/dbraw/zinc/10/11/35/702101135.db2.gz BDZPASXAVNMOEX-QNSHHTMESA-N 0 1 304.224 1.886 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cccnc1Cl ZINC000840672104 702195687 /nfs/dbraw/zinc/19/56/87/702195687.db2.gz LVDGJJRKBCTGOC-ZXFLCMHBSA-N 0 1 313.697 1.270 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000840672380 702196041 /nfs/dbraw/zinc/19/60/41/702196041.db2.gz KLOFWUKMQYRKFG-IRUJWGPZSA-N 0 1 304.302 1.173 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC000840672173 702196052 /nfs/dbraw/zinc/19/60/52/702196052.db2.gz MUFVRDZHJYVADW-FMTFEUNWSA-N 0 1 314.244 1.500 20 5 DDBDMN Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672757 702196872 /nfs/dbraw/zinc/19/68/72/702196872.db2.gz MZJJWLNZJXCEBM-CYZMBNFOSA-N 0 1 306.318 1.839 20 5 DDBDMN CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000841008852 702308263 /nfs/dbraw/zinc/30/82/63/702308263.db2.gz YBIFHFKQTIKGMF-GMSGAONNSA-N 0 1 318.738 1.347 20 5 DDBDMN O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842313254 702701883 /nfs/dbraw/zinc/70/18/83/702701883.db2.gz PBWTUZHFILCZCB-MGPQQGTHSA-N 0 1 318.329 1.244 20 5 DDBDMN COc1cc(C(C)=O)cc(OC)c1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843719435 702916882 /nfs/dbraw/zinc/91/68/82/702916882.db2.gz MYDDMNNGDONHKH-NXEZZACHSA-N 0 1 309.274 1.477 20 5 DDBDMN O=C([O-])[C@]12C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000846280979 703260423 /nfs/dbraw/zinc/26/04/23/703260423.db2.gz ATUPGZCBNAGHMA-SWLSCSKDSA-N 0 1 306.318 1.518 20 5 DDBDMN CC(=O)C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000846957456 703357548 /nfs/dbraw/zinc/35/75/48/703357548.db2.gz KYJJBWSOEFXQMG-HNNXBMFYSA-N 0 1 322.361 1.636 20 5 DDBDMN CCc1nc([C@@H](C)OC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000849710756 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/nfs/dbraw/zinc/43/08/75/899430875.db2.gz PFRAAGPYWNLKRU-UHFFFAOYSA-N 0 1 321.377 1.991 20 5 DDBDMN CCC(C)(CC)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295203011 915650107 /nfs/dbraw/zinc/65/01/07/915650107.db2.gz YPTXKIVUKOISKR-WRWGMCAJSA-N 0 1 311.382 1.241 20 5 DDBDMN COC[C@]1(CO)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000449696252 230634078 /nfs/dbraw/zinc/63/40/78/230634078.db2.gz KCALNIBYFNQFIW-OAHLLOKOSA-N 0 1 310.350 1.434 20 5 DDBDMN C[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1CO ZINC000248915823 282117518 /nfs/dbraw/zinc/11/75/18/282117518.db2.gz JUXRGGWZYHVNBA-GWCFXTLKSA-N 0 1 318.333 1.848 20 5 DDBDMN C[C@H]1C[C@@H](O)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451292754 231059624 /nfs/dbraw/zinc/05/96/24/231059624.db2.gz FLDGHMPFVSXUMN-JOYOIKCWSA-N 0 1 316.317 1.580 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000412447976 529466290 /nfs/dbraw/zinc/46/62/90/529466290.db2.gz RIAXTEOLCBPPIV-LLVKDONJSA-N 0 1 308.338 1.521 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCc3ncsc3C2)c1[N+](=O)[O-] ZINC000438823283 529466601 /nfs/dbraw/zinc/46/66/01/529466601.db2.gz YVAULIIBFVVGOR-UHFFFAOYSA-N 0 1 307.335 1.535 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](OC)C(C)(C)C2)c1[N+](=O)[O-] ZINC000295770074 529466657 /nfs/dbraw/zinc/46/66/57/529466657.db2.gz CFOCKRSPYULBCA-JTQLQIEISA-N 0 1 310.354 1.767 20 5 DDBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000447056913 529976981 /nfs/dbraw/zinc/97/69/81/529976981.db2.gz CXUPZSZZDVUSOQ-UHFFFAOYSA-N 0 1 306.326 1.611 20 5 DDBDMN Cc1ccc([C@H](C)NCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000181834920 199359409 /nfs/dbraw/zinc/35/94/09/199359409.db2.gz MRBGUDCGXAZFQS-LBPRGKRZSA-N 0 1 307.350 1.413 20 5 DDBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164317600 186155534 /nfs/dbraw/zinc/15/55/34/186155534.db2.gz GPHOPYUNVXPPGQ-JTQLQIEISA-N 0 1 305.334 1.515 20 5 DDBDMN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1CCOC ZINC000266853258 186359689 /nfs/dbraw/zinc/35/96/89/186359689.db2.gz SBILWHQGQBJKDM-CYBMUJFWSA-N 0 1 308.382 1.845 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)N(C)C ZINC000030338183 352252019 /nfs/dbraw/zinc/25/20/19/352252019.db2.gz ZQSNKMIOWZGKPR-JTQLQIEISA-N 0 1 301.368 1.132 20 5 DDBDMN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000057885175 352833360 /nfs/dbraw/zinc/83/33/60/352833360.db2.gz GWPAGSGSSJZSOT-MRXNPFEDSA-N 0 1 305.378 1.891 20 5 DDBDMN O=C(NC1CCCCC1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000068027699 353082725 /nfs/dbraw/zinc/08/27/25/353082725.db2.gz JZQHWAGDEXVIET-UONOGXRCSA-N 0 1 323.393 1.339 20 5 DDBDMN CCCCN(CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072950596 353227448 /nfs/dbraw/zinc/22/74/48/353227448.db2.gz NSYJNWSZOHDARL-UHFFFAOYSA-N 0 1 309.366 1.936 20 5 DDBDMN Cc1nnc(SCC(=O)NCCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000074067169 353288439 /nfs/dbraw/zinc/28/84/39/353288439.db2.gz LODNRGJVGIFKAX-UHFFFAOYSA-N 0 1 321.362 1.472 20 5 DDBDMN Cc1n[nH]c(SCC(=O)NCCc2ccccc2[N+](=O)[O-])n1 ZINC000074067169 353288443 /nfs/dbraw/zinc/28/84/43/353288443.db2.gz LODNRGJVGIFKAX-UHFFFAOYSA-N 0 1 321.362 1.472 20 5 DDBDMN CC[C@H](C(N)=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246174 198310251 /nfs/dbraw/zinc/31/02/51/198310251.db2.gz QIOLPISHALYHRI-CQSZACIVSA-N 0 1 307.350 1.702 20 5 DDBDMN C[C@H](O)C[C@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000077117292 353452543 /nfs/dbraw/zinc/45/25/43/353452543.db2.gz PLBCVJZYGJTSCG-IUCAKERBSA-N 0 1 306.322 1.608 20 5 DDBDMN COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000079683103 353573202 /nfs/dbraw/zinc/57/32/02/353573202.db2.gz WSEAZPQSWHPUHT-UHFFFAOYSA-N 0 1 321.377 1.744 20 5 DDBDMN Cc1cc(S(=O)(=O)NC2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000601291080 358480091 /nfs/dbraw/zinc/48/00/91/358480091.db2.gz FSDWOVHBIICZPJ-UHFFFAOYSA-N 0 1 319.408 1.337 20 5 DDBDMN COc1ccc(OCCN2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000093344045 353897591 /nfs/dbraw/zinc/89/75/91/353897591.db2.gz WOZGRMFGWORLDC-RISCZKNCSA-N 0 1 310.350 1.685 20 5 DDBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CNCCO1 ZINC000236797456 202013640 /nfs/dbraw/zinc/01/36/40/202013640.db2.gz OHCQDIGCMNYAAJ-AWEZNQCLSA-N 0 1 307.350 1.320 20 5 DDBDMN C[C@H]1SCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313248025 354478702 /nfs/dbraw/zinc/47/87/02/354478702.db2.gz WWSODZBNHILAHD-VXNVDRBHSA-N 0 1 320.367 1.906 20 5 DDBDMN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2nc[nH]c2C1 ZINC000590379350 355078815 /nfs/dbraw/zinc/07/88/15/355078815.db2.gz QFTULXOULVBLEA-UHFFFAOYSA-N 0 1 311.301 1.998 20 5 DDBDMN CCOC(=O)c1c(C)[nH]nc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000590597072 355126248 /nfs/dbraw/zinc/12/62/48/355126248.db2.gz OQANONNGBGSPFC-UHFFFAOYSA-N 0 1 320.305 1.321 20 5 DDBDMN Cc1cc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000590638543 355135789 /nfs/dbraw/zinc/13/57/89/355135789.db2.gz REMDSWMTFWYRGR-UHFFFAOYSA-N 0 1 316.317 1.906 20 5 DDBDMN C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339191820 291067261 /nfs/dbraw/zinc/06/72/61/291067261.db2.gz ASNIXAZYIOXFNM-GXTWGEPZSA-N 0 1 321.377 1.595 20 5 DDBDMN Cc1nn(CCc2nc([C@H]3CCCN3)no2)c(C)c1[N+](=O)[O-] ZINC000592356998 355566042 /nfs/dbraw/zinc/56/60/42/355566042.db2.gz PKORQYDBFATWGV-SNVBAGLBSA-N 0 1 306.326 1.458 20 5 DDBDMN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C ZINC000358724215 299232936 /nfs/dbraw/zinc/23/29/36/299232936.db2.gz MSQULGKJPUQHHG-PHIMTYICSA-N 0 1 309.341 1.827 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)CC(N)=O)c1 ZINC000593025612 355773367 /nfs/dbraw/zinc/77/33/67/355773367.db2.gz ZYTNRSWJJREDJS-UHFFFAOYSA-N 0 1 309.322 1.125 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC2(F)F)nc1 ZINC000593596736 355937257 /nfs/dbraw/zinc/93/72/57/355937257.db2.gz RQYAAWRBSZGUGV-MRVPVSSYSA-N 0 1 307.278 1.456 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC2CCC1CC2 ZINC000594764249 356310731 /nfs/dbraw/zinc/31/07/31/356310731.db2.gz IGZYWDGXALHTTG-VQXHTEKXSA-N 0 1 311.363 1.847 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1(C2CCC2)CCC1 ZINC000594783870 356315712 /nfs/dbraw/zinc/31/57/12/356315712.db2.gz QKAFFFGHXHDWCK-UHFFFAOYSA-N 0 1 311.363 1.991 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC(=O)N(C)C1 ZINC000595006492 356371296 /nfs/dbraw/zinc/37/12/96/356371296.db2.gz ASWZQFOAJUTKNV-WDEREUQCSA-N 0 1 307.350 1.875 20 5 DDBDMN CN(Cc1cnc[nH]1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595598169 356569417 /nfs/dbraw/zinc/56/94/17/356569417.db2.gz XVLSBHXFEYOGDS-CYBMUJFWSA-N 0 1 306.322 1.190 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601342914 358507866 /nfs/dbraw/zinc/50/78/66/358507866.db2.gz GDCMRTJYLAAHLD-RKDXNWHRSA-N 0 1 319.408 1.336 20 5 DDBDMN CC(C)(N)c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])on1 ZINC000595933594 356711102 /nfs/dbraw/zinc/71/11/02/356711102.db2.gz IDXIRVDRNWLKQM-UHFFFAOYSA-N 0 1 316.317 1.980 20 5 DDBDMN C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596048030 356753193 /nfs/dbraw/zinc/75/31/93/356753193.db2.gz DGQJRBOJHCQSEL-NSHDSACASA-N 0 1 319.770 1.279 20 5 DDBDMN O=C([C@H]1CCCc2n[nH]nc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000596717130 356959899 /nfs/dbraw/zinc/95/98/99/356959899.db2.gz XSKKHKCERRJOIG-NSHDSACASA-N 0 1 313.317 1.722 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@](C)(C3CC3)C2)c1[N+](=O)[O-] ZINC000597923537 357383680 /nfs/dbraw/zinc/38/36/80/357383680.db2.gz MASNATCVQSRXKP-AWEZNQCLSA-N 0 1 308.338 1.521 20 5 DDBDMN CCOc1cc(CN(C)CC(C)(CO)CO)ccc1[N+](=O)[O-] ZINC000276828347 213119388 /nfs/dbraw/zinc/11/93/88/213119388.db2.gz AOPDVEJIGQTQFL-UHFFFAOYSA-N 0 1 312.366 1.416 20 5 DDBDMN C[C@@]1(C(F)F)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000598572415 357636872 /nfs/dbraw/zinc/63/68/72/357636872.db2.gz LNTDOQBJYLPLOX-ZDUSSCGKSA-N 0 1 316.260 1.797 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC(C)(C)C)n1 ZINC000599242369 357860621 /nfs/dbraw/zinc/86/06/21/357860621.db2.gz UMJQHOSXLBKOHA-UHFFFAOYSA-N 0 1 304.372 1.433 20 5 DDBDMN CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247190 357861508 /nfs/dbraw/zinc/86/15/08/357861508.db2.gz CHVHWJJTKGKHAO-DTWKUNHWSA-N 0 1 304.372 1.431 20 5 DDBDMN CC(C)C1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599256051 357864290 /nfs/dbraw/zinc/86/42/90/357864290.db2.gz QIACYXSIJCPPCU-UHFFFAOYSA-N 0 1 302.356 1.043 20 5 DDBDMN CC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000599322690 357893100 /nfs/dbraw/zinc/89/31/00/357893100.db2.gz UGAGLGGVTFYTKC-SNVBAGLBSA-N 0 1 316.383 1.575 20 5 DDBDMN CC(C)CC[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599411089 357925786 /nfs/dbraw/zinc/92/57/86/357925786.db2.gz VDAOLUQAINTPDI-JTQLQIEISA-N 0 1 317.367 1.065 20 5 DDBDMN Cc1ccc(C)c(S(=O)(=O)NCc2cnc[nH]2)c1[N+](=O)[O-] ZINC000599357209 357907770 /nfs/dbraw/zinc/90/77/70/357907770.db2.gz SZYWBRUMIWHYBE-UHFFFAOYSA-N 0 1 310.335 1.413 20 5 DDBDMN CN(CC1(C)COC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599571972 357979744 /nfs/dbraw/zinc/97/97/44/357979744.db2.gz ZADGJMCMQQVYHR-AWEZNQCLSA-N 0 1 319.361 1.668 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599620268 357994913 /nfs/dbraw/zinc/99/49/13/357994913.db2.gz TZTMVWPBFZBTSS-UHFFFAOYSA-N 0 1 314.349 1.517 20 5 DDBDMN C[C@]1(CO)CN(CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599622555 357995858 /nfs/dbraw/zinc/99/58/58/357995858.db2.gz GBFOGNFLWWIZTG-IYBDPMFKSA-N 0 1 324.377 1.286 20 5 DDBDMN CC(C)[C@@H]1CNCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000599910028 358079011 /nfs/dbraw/zinc/07/90/11/358079011.db2.gz KJBOGPVDBXCMKT-AWEZNQCLSA-N 0 1 306.366 1.734 20 5 DDBDMN Cc1cccc2c1C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CO2 ZINC000600211739 358158015 /nfs/dbraw/zinc/15/80/15/358158015.db2.gz SRMRHHJXGCMUID-SECBINFHSA-N 0 1 302.290 1.360 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000348036189 283348067 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COc1ccc(COCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000089367615 192773882 /nfs/dbraw/zinc/77/38/82/192773882.db2.gz DPKKONJXEJQFSG-UHFFFAOYSA-N 0 1 320.305 1.273 20 5 DDBDMN CCOc1cc(Cn2cc([C@@H](C)NC)nn2)ccc1[N+](=O)[O-] ZINC000603236052 359504361 /nfs/dbraw/zinc/50/43/61/359504361.db2.gz HYXMXHASYWLWQC-SNVBAGLBSA-N 0 1 305.338 1.914 20 5 DDBDMN C[C@@H]1COCCN1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603401186 359617697 /nfs/dbraw/zinc/61/76/97/359617697.db2.gz ITZREGFHQXAJGW-GFCCVEGCSA-N 0 1 306.366 1.679 20 5 DDBDMN O=C(N[C@@H]1CCC[C@H]1CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000187814850 200160743 /nfs/dbraw/zinc/16/07/43/200160743.db2.gz MYRIVOTVLIOCKE-JOYOIKCWSA-N 0 1 318.333 1.752 20 5 DDBDMN CNC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281133981 216100617 /nfs/dbraw/zinc/10/06/17/216100617.db2.gz NSJKTCUDDJCMLO-CQSZACIVSA-N 0 1 322.321 1.461 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000188980786 200331061 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C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193359086 201036947 /nfs/dbraw/zinc/03/69/47/201036947.db2.gz ZYLHPDUEVNGNPL-NSHDSACASA-N 0 1 322.365 1.690 20 5 DDBDMN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193359086 201036950 /nfs/dbraw/zinc/03/69/50/201036950.db2.gz ZYLHPDUEVNGNPL-NSHDSACASA-N 0 1 322.365 1.690 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CCC[C@@H]2C(N)=O)n1 ZINC000359099309 299327956 /nfs/dbraw/zinc/32/79/56/299327956.db2.gz VFLMGVYXNSFZMO-GFCCVEGCSA-N 0 1 321.381 1.358 20 5 DDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CCN[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000275530032 212396859 /nfs/dbraw/zinc/39/68/59/212396859.db2.gz MTZCELPNAOLEEL-QMMMGPOBSA-N 0 1 308.294 1.245 20 5 DDBDMN O=C1C[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275181037 212179100 /nfs/dbraw/zinc/17/91/00/212179100.db2.gz ARGFFRXZVYXYSP-ZOWXZIJZSA-N 0 1 320.345 1.530 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000264694150 204083493 /nfs/dbraw/zinc/08/34/93/204083493.db2.gz USERBZXAXAUGOT-SECBINFHSA-N 0 1 324.337 1.105 20 5 DDBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000266156824 205144559 /nfs/dbraw/zinc/14/45/59/205144559.db2.gz JZSMSQZVTSPXDE-UHFFFAOYSA-N 0 1 303.362 1.834 20 5 DDBDMN Cc1[nH+]ccn1CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000283018028 217390463 /nfs/dbraw/zinc/39/04/63/217390463.db2.gz LTQURHFQEGONJT-UHFFFAOYSA-N 0 1 304.306 1.625 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000337427438 249490941 /nfs/dbraw/zinc/49/09/41/249490941.db2.gz SWWNABANKIRICT-STQMWFEESA-N 0 1 323.393 1.490 20 5 DDBDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274126852 211379796 /nfs/dbraw/zinc/37/97/96/211379796.db2.gz XXDLSIWWDLNVKV-NXEZZACHSA-N 0 1 323.349 1.371 20 5 DDBDMN C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)CO ZINC000274013351 211271798 /nfs/dbraw/zinc/27/17/98/211271798.db2.gz LZYDNRJLSWHIHR-NXEZZACHSA-N 0 1 306.322 1.751 20 5 DDBDMN CC(C)(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285155247 218312576 /nfs/dbraw/zinc/31/25/76/218312576.db2.gz QICDNLBAZZRREL-UHFFFAOYSA-N 0 1 309.370 1.512 20 5 DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000285352591 218394182 /nfs/dbraw/zinc/39/41/82/218394182.db2.gz ACMSNRVTKOAGIH-ZIAGYGMSSA-N 0 1 307.350 1.403 20 5 DDBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000056197154 184006822 /nfs/dbraw/zinc/00/68/22/184006822.db2.gz CMFMHZIMMXZSSN-NXEZZACHSA-N 0 1 306.322 1.186 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000340805261 251218650 /nfs/dbraw/zinc/21/86/50/251218650.db2.gz WTPRFHYWXSOPIU-UHFFFAOYSA-N 0 1 317.305 1.190 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)[C@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000269084499 207228864 /nfs/dbraw/zinc/22/88/64/207228864.db2.gz JKGXLFDNYCHZBJ-GFCCVEGCSA-N 0 1 318.333 1.822 20 5 DDBDMN COCC[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000412464477 224035486 /nfs/dbraw/zinc/03/54/86/224035486.db2.gz ATFBVILSWFKFBG-SECBINFHSA-N 0 1 306.322 1.874 20 5 DDBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1[nH]nc2c1CCC2 ZINC000119800071 195039397 /nfs/dbraw/zinc/03/93/97/195039397.db2.gz FAGRWYGKPRTUMU-UHFFFAOYSA-N 0 1 315.333 1.649 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)CC1CC1 ZINC000352457445 285063181 /nfs/dbraw/zinc/06/31/81/285063181.db2.gz DBMLLRXQHXUDPO-UHFFFAOYSA-N 0 1 307.350 1.546 20 5 DDBDMN O=C1OCC[C@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000120174128 195112435 /nfs/dbraw/zinc/11/24/35/195112435.db2.gz OBPHHKPOSPKKQS-CYBMUJFWSA-N 0 1 319.361 1.670 20 5 DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352657371 285201274 /nfs/dbraw/zinc/20/12/74/285201274.db2.gz ACMSNRVTKOAGIH-KBPBESRZSA-N 0 1 307.350 1.403 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C)C2)cc1OC ZINC000155071532 197018992 /nfs/dbraw/zinc/01/89/92/197018992.db2.gz ZPDUDQACOWEEGA-SNVBAGLBSA-N 0 1 323.349 1.436 20 5 DDBDMN Cc1cnc([C@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124396181 195637305 /nfs/dbraw/zinc/63/73/05/195637305.db2.gz GRRUOMOMMHTQQB-GXSJLCMTSA-N 0 1 311.367 1.268 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[NH2+]C1 ZINC000126845941 296496166 /nfs/dbraw/zinc/49/61/66/296496166.db2.gz FRBOZKQXIQCOAS-VIFPVBQESA-N 0 1 317.342 1.154 20 5 DDBDMN CCN(CC)CCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000568804110 304312940 /nfs/dbraw/zinc/31/29/40/304312940.db2.gz GFBWWCKEPMOMBI-UHFFFAOYSA-N 0 1 315.395 1.356 20 5 DDBDMN Nc1cc(N)nc(SCCOc2cccc([N+](=O)[O-])c2)n1 ZINC000071917916 406868198 /nfs/dbraw/zinc/86/81/98/406868198.db2.gz KAEXECQGWGXORV-UHFFFAOYSA-N 0 1 307.335 1.720 20 5 DDBDMN CC(C)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027419984 406910490 /nfs/dbraw/zinc/91/04/90/406910490.db2.gz YQJCWPKXNRCXOC-CYBMUJFWSA-N 0 1 320.393 1.948 20 5 DDBDMN Cc1ncsc1CN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719588 406940813 /nfs/dbraw/zinc/94/08/13/406940813.db2.gz HOIOYHJYNOWGGM-LLVKDONJSA-N 0 1 311.367 1.049 20 5 DDBDMN CC(=O)NC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000050990584 407132668 /nfs/dbraw/zinc/13/26/68/407132668.db2.gz VSIKFHDQRMYQEV-UHFFFAOYSA-N 0 1 307.350 1.574 20 5 DDBDMN CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000053184101 407164082 /nfs/dbraw/zinc/16/40/82/407164082.db2.gz LLVFBJDWNLBMER-UHFFFAOYSA-N 0 1 307.306 1.604 20 5 DDBDMN CC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101574871 407312050 /nfs/dbraw/zinc/31/20/50/407312050.db2.gz RWHZNOPNJMACIK-UHFFFAOYSA-N 0 1 321.786 1.478 20 5 DDBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188011 407550980 /nfs/dbraw/zinc/55/09/80/407550980.db2.gz FXFZWVBSSBXKJX-ZFWWWQNUSA-N 0 1 321.377 1.819 20 5 DDBDMN CC(C)[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178746180 407581505 /nfs/dbraw/zinc/58/15/05/407581505.db2.gz GTCJRUGZEDJNHJ-GFCCVEGCSA-N 0 1 320.342 1.419 20 5 DDBDMN CN(CCCOC(=O)NC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000271430736 407682177 /nfs/dbraw/zinc/68/21/77/407682177.db2.gz BDFWPFDWGSPNAC-UHFFFAOYSA-N 0 1 310.310 1.222 20 5 DDBDMN CC(C)(CCCO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000271473314 407697092 /nfs/dbraw/zinc/69/70/92/407697092.db2.gz ZDAKLZAWLRTDRU-UHFFFAOYSA-N 0 1 320.349 2.000 20 5 DDBDMN C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000153714420 407885230 /nfs/dbraw/zinc/88/52/30/407885230.db2.gz SNBFZVITXNTYRK-TXEJJXNPSA-N 0 1 306.366 1.240 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(=O)[O-] ZINC000262650826 407890763 /nfs/dbraw/zinc/89/07/63/407890763.db2.gz LHLYAMRSKGLQNB-UHFFFAOYSA-N 0 1 309.322 1.638 20 5 DDBDMN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237848704 407847343 /nfs/dbraw/zinc/84/73/43/407847343.db2.gz YKTTVWBMYLKSMI-HTQZYQBOSA-N 0 1 305.381 1.062 20 5 DDBDMN C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506523 407953905 /nfs/dbraw/zinc/95/39/05/407953905.db2.gz JHLUUSGATXIKIQ-JQWIXIFHSA-N 0 1 307.350 1.855 20 5 DDBDMN O=C(NCCCN1CCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000135007585 407960934 /nfs/dbraw/zinc/96/09/34/407960934.db2.gz CGSZYPLAKHXKHB-UHFFFAOYSA-N 0 1 315.333 1.501 20 5 DDBDMN CCOC(=O)c1ccnc(N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000175047694 408039633 /nfs/dbraw/zinc/03/96/33/408039633.db2.gz UFURRJWMHSDGLX-NSHDSACASA-N 0 1 322.365 1.697 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)NC)C1 ZINC000175221342 408080281 /nfs/dbraw/zinc/08/02/81/408080281.db2.gz CZJCLYVWZDLIJD-LBPRGKRZSA-N 0 1 321.377 1.952 20 5 DDBDMN C[C@H](C[S@@](C)=O)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000273191447 408100411 /nfs/dbraw/zinc/10/04/11/408100411.db2.gz GWPVBMGYUPTWGD-CWMRNNLJSA-N 0 1 324.362 1.310 20 5 DDBDMN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000175445466 408133409 /nfs/dbraw/zinc/13/34/09/408133409.db2.gz AVWNNQCYBRYRHT-ZJUUUORDSA-N 0 1 308.338 1.298 20 5 DDBDMN Cc1ccccc1O[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121268348 408175168 /nfs/dbraw/zinc/17/51/68/408175168.db2.gz SZQZHWORZHNZCF-JTQLQIEISA-N 0 1 304.306 1.824 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[C@@H]1O ZINC000269296927 408256843 /nfs/dbraw/zinc/25/68/43/408256843.db2.gz OMBCENJUCUBCAC-KCJUWKMLSA-N 0 1 318.326 1.173 20 5 DDBDMN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274177834 408316509 /nfs/dbraw/zinc/31/65/09/408316509.db2.gz CJYGOXJUDHQGIH-BXUZGUMPSA-N 0 1 306.318 1.988 20 5 DDBDMN COc1cc(CNCCOCC(F)F)c([N+](=O)[O-])cc1O ZINC000190902067 408340127 /nfs/dbraw/zinc/34/01/27/408340127.db2.gz PLQYDEVITRBODH-UHFFFAOYSA-N 0 1 306.265 1.680 20 5 DDBDMN C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000190863050 408333471 /nfs/dbraw/zinc/33/34/71/408333471.db2.gz ISMIGBUSOBAZOO-YPMHNXCESA-N 0 1 319.361 1.044 20 5 DDBDMN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000190863050 408333476 /nfs/dbraw/zinc/33/34/76/408333476.db2.gz ISMIGBUSOBAZOO-YPMHNXCESA-N 0 1 319.361 1.044 20 5 DDBDMN CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000133284608 162055925 /nfs/dbraw/zinc/05/59/25/162055925.db2.gz FGTPAJGVLQQQDW-UHFFFAOYSA-N 0 1 322.365 1.547 20 5 DDBDMN Cc1n[nH]c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000183342021 408385110 /nfs/dbraw/zinc/38/51/10/408385110.db2.gz ASYRSJXIPIZYFT-UHFFFAOYSA-N 0 1 310.335 1.877 20 5 DDBDMN Cc1[nH]nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1C ZINC000183342021 408385114 /nfs/dbraw/zinc/38/51/14/408385114.db2.gz ASYRSJXIPIZYFT-UHFFFAOYSA-N 0 1 310.335 1.877 20 5 DDBDMN CC[C@H](CO)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645970 408375628 /nfs/dbraw/zinc/37/56/28/408375628.db2.gz KZSWYXZWCNFPMO-ZBFHGGJFSA-N 0 1 323.393 1.017 20 5 DDBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C(N)=O)no1 ZINC000274370787 408379980 /nfs/dbraw/zinc/37/99/80/408379980.db2.gz PWMRAAQSSXGLIP-SNVBAGLBSA-N 0 1 318.333 1.793 20 5 DDBDMN CN(C)c1ccncc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000183465305 408419137 /nfs/dbraw/zinc/41/91/37/408419137.db2.gz SAAHVYDTHANUEG-UHFFFAOYSA-N 0 1 300.318 1.986 20 5 DDBDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410910 408479867 /nfs/dbraw/zinc/47/98/67/408479867.db2.gz JNOAHRHTJIKRKO-GWCFXTLKSA-N 0 1 307.350 1.429 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCOC1 ZINC000264408808 408478471 /nfs/dbraw/zinc/47/84/71/408478471.db2.gz SSANRYMNTXZBGE-QMMMGPOBSA-N 0 1 304.299 1.191 20 5 DDBDMN Cc1cc(C[C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000161067831 408556103 /nfs/dbraw/zinc/55/61/03/408556103.db2.gz IPSNACBHZPNZJB-JTQLQIEISA-N 0 1 302.334 1.916 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)C(=O)OC(C)C)c1[N+](=O)[O-] ZINC000192756562 408640818 /nfs/dbraw/zinc/64/08/18/408640818.db2.gz GHBMQUFWNTYMKT-MRVPVSSYSA-N 0 1 312.326 1.292 20 5 DDBDMN C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248910870 408662582 /nfs/dbraw/zinc/66/25/82/408662582.db2.gz IXZDEASTPPHPHQ-RISCZKNCSA-N 0 1 307.350 1.260 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000162064299 408666451 /nfs/dbraw/zinc/66/64/51/408666451.db2.gz ZFZWBVBHAQSRTM-SECBINFHSA-N 0 1 320.353 1.269 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](O)C(C)(C)C2)c1[N+](=O)[O-] ZINC000275943000 408728121 /nfs/dbraw/zinc/72/81/21/408728121.db2.gz XRHCUJSMWPWWTL-SNVBAGLBSA-N 0 1 310.354 1.503 20 5 DDBDMN C[C@@H]1[C@H](C)OCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000165871999 408814263 /nfs/dbraw/zinc/81/42/63/408814263.db2.gz PTXQIAADNHAFMX-BDAKNGLRSA-N 0 1 304.306 1.721 20 5 DDBDMN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157355 408807726 /nfs/dbraw/zinc/80/77/26/408807726.db2.gz FNDACBRCNFJHLN-IUODEOHRSA-N 0 1 321.377 1.883 20 5 DDBDMN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000249737612 408759093 /nfs/dbraw/zinc/75/90/93/408759093.db2.gz GDHHXCFIRXVDHA-QWRGUYRKSA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O 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SAZXQLCBLCQXID-PHIMTYICSA-N 0 1 309.370 1.041 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000295174774 409357705 /nfs/dbraw/zinc/35/77/05/409357705.db2.gz AZCIDRVXUGKMFK-UHFFFAOYSA-N 0 1 323.334 1.069 20 5 DDBDMN CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000280567723 409361207 /nfs/dbraw/zinc/36/12/07/409361207.db2.gz MDTBTXRUNVTXAF-SMDDNHRTSA-N 0 1 318.333 1.950 20 5 DDBDMN C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315063874 164017580 /nfs/dbraw/zinc/01/75/80/164017580.db2.gz AIDDWHAAFIDUFI-QPUJVOFHSA-N 0 1 318.326 1.580 20 5 DDBDMN Cc1nc(NC[C@H](C(C)C)N2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000296283249 409488101 /nfs/dbraw/zinc/48/81/01/409488101.db2.gz HJTWFIQALTXGRP-CYBMUJFWSA-N 0 1 322.413 1.377 20 5 DDBDMN COc1ccnc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356804211 409622381 /nfs/dbraw/zinc/62/23/81/409622381.db2.gz NRJKXVYOTBIKOQ-UHFFFAOYSA-N 0 1 303.274 1.634 20 5 DDBDMN 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/nfs/dbraw/zinc/93/27/84/409932784.db2.gz FZSGAHHQWCSJPU-BXKDBHETSA-N 0 1 317.349 2.138 20 5 DDBDMN CN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000298740126 410375455 /nfs/dbraw/zinc/37/54/55/410375455.db2.gz JRXXWSXETJSNSS-UHFFFAOYSA-N 0 1 321.333 1.144 20 5 DDBDMN O=C1[C@H](N2CCC[C@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782707 410457646 /nfs/dbraw/zinc/45/76/46/410457646.db2.gz HESNXNCXLGUGCK-LSDHHAIUSA-N 0 1 319.361 1.547 20 5 DDBDMN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O ZINC000352232821 410567228 /nfs/dbraw/zinc/56/72/28/410567228.db2.gz WJQPJCRYFYEZNS-NSHDSACASA-N 0 1 307.350 1.187 20 5 DDBDMN CC(C)OCc1nc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])no1 ZINC000359575732 410743942 /nfs/dbraw/zinc/74/39/42/410743942.db2.gz DSODEVHTZAKQOC-ZETCQYMHSA-N 0 1 324.297 1.117 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncc(C(F)(F)F)[nH]2)n1 ZINC000337651134 410921100 /nfs/dbraw/zinc/92/11/00/410921100.db2.gz LKXUBRVAINUCSM-UHFFFAOYSA-N 0 1 304.188 1.323 20 5 DDBDMN O=C(N[C@@H](CO)c1c(F)cccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000356344551 410976262 /nfs/dbraw/zinc/97/62/62/410976262.db2.gz WYFYTPBEDLSZMZ-QMMMGPOBSA-N 0 1 312.232 1.060 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000373969872 418479122 /nfs/dbraw/zinc/47/91/22/418479122.db2.gz JFQWIXOQSVOTRJ-IJLUTSLNSA-N 0 1 304.302 1.744 20 5 DDBDMN CC(C)OC[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000192989104 418527741 /nfs/dbraw/zinc/52/77/41/418527741.db2.gz HHPNSTAWAUIELR-INIZCTEOSA-N 0 1 323.393 1.503 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@H](c2ccccc2Cl)C1 ZINC000366910011 418536736 /nfs/dbraw/zinc/53/67/36/418536736.db2.gz ITDCZFOEFJGCFF-KGYLQXTDSA-N 0 1 309.753 1.478 20 5 DDBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC1 ZINC000360939441 418550748 /nfs/dbraw/zinc/55/07/48/418550748.db2.gz XKJIFGOATLIOJK-CQSZACIVSA-N 0 1 305.378 1.985 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000291141671 222169310 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O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425061725 228358220 /nfs/dbraw/zinc/35/82/20/228358220.db2.gz BPBHYBQLAVWQJT-NSHDSACASA-N 0 1 301.306 1.272 20 5 DDBDMN O=C(CN1CCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000426257556 419422264 /nfs/dbraw/zinc/42/22/64/419422264.db2.gz QCADBUBMOBOXEN-ZDUSSCGKSA-N 0 1 319.361 1.331 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@]12CCOC2 ZINC000421010947 419449242 /nfs/dbraw/zinc/44/92/42/419449242.db2.gz DBFUSZYEFKYTHY-DOMZBBRYSA-N 0 1 308.334 1.199 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000421766462 419718950 /nfs/dbraw/zinc/71/89/50/419718950.db2.gz FLEQYNGMRPCBTL-UHFFFAOYSA-N 0 1 303.322 1.611 20 5 DDBDMN O=C(NCCCC1(O)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421986457 419796191 /nfs/dbraw/zinc/79/61/91/419796191.db2.gz WDSCSBWVCZRMCS-UHFFFAOYSA-N 0 1 318.333 1.896 20 5 DDBDMN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423559721 420081131 /nfs/dbraw/zinc/08/11/31/420081131.db2.gz UHCVXCWKAUTQDW-NSHDSACASA-N 0 1 301.306 1.708 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(CCO)[C@H](C)C1 ZINC000430220350 420092932 /nfs/dbraw/zinc/09/29/32/420092932.db2.gz PONVLIBKROVKEB-GFCCVEGCSA-N 0 1 309.366 1.102 20 5 DDBDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436706524 420358530 /nfs/dbraw/zinc/35/85/30/420358530.db2.gz RIRUHUYSLQMEDI-NSHDSACASA-N 0 1 307.350 1.905 20 5 DDBDMN CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000452889082 420675863 /nfs/dbraw/zinc/67/58/63/420675863.db2.gz PTKRMJHNNKUXJS-NOZJJQNGSA-N 0 1 318.333 1.968 20 5 DDBDMN C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000493086668 420753840 /nfs/dbraw/zinc/75/38/40/420753840.db2.gz ADOJPIGHSMAIRZ-DPIUTZRQSA-N 0 1 307.325 1.956 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449430585 421011664 /nfs/dbraw/zinc/01/16/64/421011664.db2.gz BZKNDTNBZYKUSW-SGIREYDYSA-N 0 1 322.361 1.662 20 5 DDBDMN O=C(Nc1cccc(F)c1)OC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000495885172 421082573 /nfs/dbraw/zinc/08/25/73/421082573.db2.gz LAJQVZTYEGAWOJ-VXGBXAGGSA-N 0 1 323.280 1.250 20 5 DDBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000489217566 421140334 /nfs/dbraw/zinc/14/03/34/421140334.db2.gz KYXLNLRBZUEDNR-DTWKUNHWSA-N 0 1 321.341 1.300 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000456535981 421180543 /nfs/dbraw/zinc/18/05/43/421180543.db2.gz URLNYMVCOPQZKW-LLVKDONJSA-N 0 1 323.397 1.827 20 5 DDBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496425589 421252877 /nfs/dbraw/zinc/25/28/77/421252877.db2.gz RCALEFFCIDYPMG-GMTAPVOTSA-N 0 1 313.354 1.119 20 5 DDBDMN CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571512965 421721532 /nfs/dbraw/zinc/72/15/32/421721532.db2.gz ZGZJERIJVSQVSM-CQSZACIVSA-N 0 1 306.366 1.830 20 5 DDBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCS(=O)(=O)C1 ZINC000344790477 272118786 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DDBDMN CCC[C@](C)(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000266518273 407543416 /nfs/dbraw/zinc/54/34/16/407543416.db2.gz IEVBZZSWGBDMLQ-AWEZNQCLSA-N 0 1 306.322 1.752 20 5 DDBDMN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271328347 407638818 /nfs/dbraw/zinc/63/88/18/407638818.db2.gz LIPLYKDELIGMMA-AMIZOPFISA-N 0 1 322.296 1.963 20 5 DDBDMN CCS(=O)(=O)NCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000178884046 407639677 /nfs/dbraw/zinc/63/96/77/407639677.db2.gz NJRXKDKEFRXUIM-UHFFFAOYSA-N 0 1 315.395 1.356 20 5 DDBDMN CCc1ccc(C(=O)N[C@H]2CCN(CCOC)C2)cc1[N+](=O)[O-] ZINC000266873074 407656625 /nfs/dbraw/zinc/65/66/25/407656625.db2.gz ANLYUSRQTIDWTK-AWEZNQCLSA-N 0 1 321.377 1.608 20 5 DDBDMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186685239 407745073 /nfs/dbraw/zinc/74/50/73/407745073.db2.gz XVXCSIAQCCGVHT-UHFFFAOYSA-N 0 1 321.377 1.966 20 5 DDBDMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153178580 407770468 /nfs/dbraw/zinc/77/04/68/407770468.db2.gz RFKTWNTZGSVFLP-CYBMUJFWSA-N 0 1 313.379 1.061 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)Cc2cc(Cl)cn2C)c1[N+](=O)[O-] ZINC000268138473 407907859 /nfs/dbraw/zinc/90/78/59/407907859.db2.gz CTJCGNKCTVCYAM-UHFFFAOYSA-N 0 1 311.729 1.890 20 5 DDBDMN O=C(NC[C@H](O)C1CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272513103 407956680 /nfs/dbraw/zinc/95/66/80/407956680.db2.gz KHMCJOFUFDOOQL-AWEZNQCLSA-N 0 1 308.334 1.971 20 5 DDBDMN C[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1nnc[nH]1 ZINC000174532511 407961209 /nfs/dbraw/zinc/96/12/09/407961209.db2.gz OQDDVHVWLKYZAN-ZCFIWIBFSA-N 0 1 301.266 1.080 20 5 DDBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000154057568 407962561 /nfs/dbraw/zinc/96/25/61/407962561.db2.gz RJPBPZLNLBXRJR-HNNXBMFYSA-N 0 1 321.377 1.772 20 5 DDBDMN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1=CC[N@@H+](C)CC1 ZINC000273033215 408027629 /nfs/dbraw/zinc/02/76/29/408027629.db2.gz VEVGNNDGSDMLMS-SNVBAGLBSA-N 0 1 305.334 1.681 20 5 DDBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(O)CCOCC1 ZINC000189788631 408107649 /nfs/dbraw/zinc/10/76/49/408107649.db2.gz GASXJWMSXKAJNU-UHFFFAOYSA-N 0 1 321.333 1.709 20 5 DDBDMN CCOc1ccc(C(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000175424221 408127435 /nfs/dbraw/zinc/12/74/35/408127435.db2.gz XMKOMCXETSATGZ-UHFFFAOYSA-N 0 1 307.350 1.818 20 5 DDBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269311970 408265608 /nfs/dbraw/zinc/26/56/08/408265608.db2.gz AGVKBQZDAJWGFT-MRVPVSSYSA-N 0 1 310.310 1.076 20 5 DDBDMN COC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269472663 408322387 /nfs/dbraw/zinc/32/23/87/408322387.db2.gz IYUKLTRUVDMXCY-SECBINFHSA-N 0 1 324.337 1.609 20 5 DDBDMN CCN1CC[NH+](CCC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000122328474 408282386 /nfs/dbraw/zinc/28/23/86/408282386.db2.gz PGYQIIOEMLBNGD-UHFFFAOYSA-N 0 1 320.393 1.239 20 5 DDBDMN COC(=O)CCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269361833 408284534 /nfs/dbraw/zinc/28/45/34/408284534.db2.gz JSDOGGOKBUDTHY-UHFFFAOYSA-N 0 1 312.326 1.467 20 5 DDBDMN CC(C)[N@H+]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269369552 408285815 /nfs/dbraw/zinc/28/58/15/408285815.db2.gz LXSFFICMXFRGMM-UHFFFAOYSA-N 0 1 307.350 1.857 20 5 DDBDMN O=C(NC1CC1)N[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274031420 408302640 /nfs/dbraw/zinc/30/26/40/408302640.db2.gz QLQDDFJCJZDPDN-AWEZNQCLSA-N 0 1 318.377 1.673 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000269622681 408365447 /nfs/dbraw/zinc/36/54/47/408365447.db2.gz UHKVJPDLNCSDTH-MRVPVSSYSA-N 0 1 320.353 1.834 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(C)n2)cc1OC ZINC000264174733 408389525 /nfs/dbraw/zinc/38/95/25/408389525.db2.gz KNVJMRYHOXWTGB-UHFFFAOYSA-N 0 1 321.293 1.681 20 5 DDBDMN CCOC(=O)CN(CC(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264126535 408375885 /nfs/dbraw/zinc/37/58/85/408375885.db2.gz DFQKSYKTZNJHTQ-UHFFFAOYSA-N 0 1 312.326 1.288 20 5 DDBDMN Cc1c([C@H](C)NCC(=O)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000183360102 408389693 /nfs/dbraw/zinc/38/96/93/408389693.db2.gz HIAOHOJXSYOJDN-LBPRGKRZSA-N 0 1 307.350 1.413 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)CCC2CCOCC2)c1[N+](=O)[O-] ZINC000176810119 408450960 /nfs/dbraw/zinc/45/09/60/408450960.db2.gz NIOCJWNRNONYJU-UHFFFAOYSA-N 0 1 310.354 1.769 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]nnc2c1 ZINC000176721391 408423405 /nfs/dbraw/zinc/42/34/05/408423405.db2.gz BEHZVLPSNSMGFC-UHFFFAOYSA-N 0 1 313.273 1.884 20 5 DDBDMN CCC[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000269797210 408431017 /nfs/dbraw/zinc/43/10/17/408431017.db2.gz RWMVZWVNCMXWPB-LBPRGKRZSA-N 0 1 320.342 1.563 20 5 DDBDMN CC(C)(C)[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183666451 408464677 /nfs/dbraw/zinc/46/46/77/408464677.db2.gz AQEWMNPDNVSGQY-LLVKDONJSA-N 0 1 306.322 1.608 20 5 DDBDMN CCCN(CC(=O)OCC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192567970 408611519 /nfs/dbraw/zinc/61/15/19/408611519.db2.gz OHQAUFIXSTXSCO-UHFFFAOYSA-N 0 1 312.326 1.296 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184570833 408644420 /nfs/dbraw/zinc/64/44/20/408644420.db2.gz IRRGLZVSRLCFMJ-UHFFFAOYSA-N 0 1 302.294 1.936 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184570833 408644428 /nfs/dbraw/zinc/64/44/28/408644428.db2.gz IRRGLZVSRLCFMJ-UHFFFAOYSA-N 0 1 302.294 1.936 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000270759773 408669688 /nfs/dbraw/zinc/66/96/88/408669688.db2.gz MGHFEJDPXRGSPN-NEPJUHHUSA-N 0 1 305.334 1.657 20 5 DDBDMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC[C@@H]21 ZINC000165049186 408807772 /nfs/dbraw/zinc/80/77/72/408807772.db2.gz JOXCEODEKHVPQP-YPMHNXCESA-N 0 1 319.361 1.857 20 5 DDBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCOC1 ZINC000178350492 408810386 /nfs/dbraw/zinc/81/03/86/408810386.db2.gz KUARZKSILNRHRI-LLVKDONJSA-N 0 1 308.334 1.930 20 5 DDBDMN CN(C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276032206 408756089 /nfs/dbraw/zinc/75/60/89/408756089.db2.gz DKXDUYPSGVGXNX-UHFFFAOYSA-N 0 1 315.395 1.750 20 5 DDBDMN Cc1ccc(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000285628911 408832425 /nfs/dbraw/zinc/83/24/25/408832425.db2.gz DWTWENZGNXLTMU-GJZGRUSLSA-N 0 1 319.361 1.448 20 5 DDBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000276360339 408841976 /nfs/dbraw/zinc/84/19/76/408841976.db2.gz MIQHIUBAPKYDAC-MRVPVSSYSA-N 0 1 318.337 1.910 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280925361 408860089 /nfs/dbraw/zinc/86/00/89/408860089.db2.gz JXOROYGUVSMSIP-PWSUYJOCSA-N 0 1 307.350 1.713 20 5 DDBDMN CN1C(=O)N[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000286069769 408918155 /nfs/dbraw/zinc/91/81/55/408918155.db2.gz UACXJYRFGOSURT-KGLIPLIRSA-N 0 1 320.349 1.072 20 5 DDBDMN C[NH+](C)[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277402653 408934802 /nfs/dbraw/zinc/93/48/02/408934802.db2.gz YNLKBUGMHVHAAF-NSHDSACASA-N 0 1 308.338 1.252 20 5 DDBDMN CCOC1(C)CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000293763890 409175624 /nfs/dbraw/zinc/17/56/24/409175624.db2.gz XPYATSNPWGJKMY-UHFFFAOYSA-N 0 1 310.354 1.912 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000293955250 409213588 /nfs/dbraw/zinc/21/35/88/409213588.db2.gz SMVHRRCIUIQTPF-NSHDSACASA-N 0 1 322.365 1.769 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000283933076 409242722 /nfs/dbraw/zinc/24/27/22/409242722.db2.gz KNRYOXBMLCGTRP-LLVKDONJSA-N 0 1 307.350 1.818 20 5 DDBDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])c3nonc32)n[nH]1 ZINC000295051815 409309926 /nfs/dbraw/zinc/30/99/26/409309926.db2.gz XUJYRMKGHUJEND-UHFFFAOYSA-N 0 1 303.282 1.985 20 5 DDBDMN CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[nH]1 ZINC000295516862 409325992 /nfs/dbraw/zinc/32/59/92/409325992.db2.gz IBMRFHMTJFKHQV-UHFFFAOYSA-N 0 1 318.337 1.271 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)F)c([N+](=O)[O-])c1 ZINC000295953822 409381615 /nfs/dbraw/zinc/38/16/15/409381615.db2.gz MBNKZMVRXFZVOJ-UHFFFAOYSA-N 0 1 311.222 1.046 20 5 DDBDMN CC[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000295958492 409384290 /nfs/dbraw/zinc/38/42/90/409384290.db2.gz JEUNAWXSGVBCJM-SNVBAGLBSA-N 0 1 307.354 1.009 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280511465 409336506 /nfs/dbraw/zinc/33/65/06/409336506.db2.gz JVIZTIGAMGGVIX-UHFFFAOYSA-N 0 1 304.306 1.630 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000295154008 409347365 /nfs/dbraw/zinc/34/73/65/409347365.db2.gz MHKYSUWCFVEPEA-LLVKDONJSA-N 0 1 309.366 1.933 20 5 DDBDMN CC(C)N(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1COC1 ZINC000295278125 409411952 /nfs/dbraw/zinc/41/19/52/409411952.db2.gz CSBJHDOGACSFBF-ZDUSSCGKSA-N 0 1 310.350 1.444 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@](C)(C(N)=O)C1 ZINC000280750017 409436695 /nfs/dbraw/zinc/43/66/95/409436695.db2.gz NFEPVVZUZCMBAC-BONVTDFDSA-N 0 1 320.349 1.119 20 5 DDBDMN Cn1nccc1C1=CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000285597512 409504998 /nfs/dbraw/zinc/50/49/98/409504998.db2.gz LVOTZXGDWFTZHB-UHFFFAOYSA-N 0 1 302.338 1.314 20 5 DDBDMN C[C@H](CN(C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344917427 409554432 /nfs/dbraw/zinc/55/44/32/409554432.db2.gz QRVHZEZGPOEMRR-MRVPVSSYSA-N 0 1 321.786 1.477 20 5 DDBDMN COc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc([N+](=O)[O-])c1C ZINC000331595776 409676129 /nfs/dbraw/zinc/67/61/29/409676129.db2.gz YHPBUYQJGQHPJK-GFCCVEGCSA-N 0 1 319.361 1.878 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000331651382 409734882 /nfs/dbraw/zinc/73/48/82/409734882.db2.gz RTXYQQDHFPWZKT-NSHDSACASA-N 0 1 301.306 1.999 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000330572851 410788668 /nfs/dbraw/zinc/78/86/68/410788668.db2.gz DTAOXANNMQNKOY-STQMWFEESA-N 0 1 320.393 1.866 20 5 DDBDMN C[C@H]1CN(C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330678259 410874187 /nfs/dbraw/zinc/87/41/87/410874187.db2.gz WLJHKOFSPGOMIQ-LBPRGKRZSA-N 0 1 306.366 1.194 20 5 DDBDMN Cc1[nH]nc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1[N+](=O)[O-] ZINC000337649684 410918108 /nfs/dbraw/zinc/91/81/08/410918108.db2.gz KEXZKVFFCBSJQP-UHFFFAOYSA-N 0 1 304.188 1.621 20 5 DDBDMN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341412506 411040808 /nfs/dbraw/zinc/04/08/08/411040808.db2.gz JUBKZESYBCECSE-GHMZBOCLSA-N 0 1 322.365 1.688 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2ccccn2)n[nH]1 ZINC000356601641 411102973 /nfs/dbraw/zinc/10/29/73/411102973.db2.gz ZJWMMXJJYFXWQK-UHFFFAOYSA-N 0 1 317.334 1.801 20 5 DDBDMN COc1cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419344561 226125680 /nfs/dbraw/zinc/12/56/80/226125680.db2.gz SAOSHEOHHYWYNH-STQMWFEESA-N 0 1 323.393 1.490 20 5 DDBDMN COCCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255322500 418566658 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C[C@H]1Oc2c(cccc2F)[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000371307546 418776382 /nfs/dbraw/zinc/77/63/82/418776382.db2.gz GFNIBUXOWRCVQU-LHLIQPBNSA-N 0 1 306.253 1.709 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](Cc2ccncc2)C1 ZINC000364762704 418809421 /nfs/dbraw/zinc/80/94/21/418809421.db2.gz RXIOGFKFZNGYIS-ZDUSSCGKSA-N 0 1 301.350 1.788 20 5 DDBDMN COc1ccc2c(c1)C1(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000365779137 418907884 /nfs/dbraw/zinc/90/78/84/418907884.db2.gz LDUYFRLPWGWWOR-OCCSQVGLSA-N 0 1 302.330 1.734 20 5 DDBDMN C[C@H]1C[C@@H](CO)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936981 419367942 /nfs/dbraw/zinc/36/79/42/419367942.db2.gz JFWLARRQKOJEGQ-QWHCGFSZSA-N 0 1 321.377 1.508 20 5 DDBDMN CC(C)(CN1CCOCC1)NCc1c(F)cccc1[N+](=O)[O-] ZINC000412001876 419556741 /nfs/dbraw/zinc/55/67/41/419556741.db2.gz IZNVALWZPQWASJ-UHFFFAOYSA-N 0 1 311.357 1.934 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)n1 ZINC000427594977 419691814 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O=C(CN1CC[C@H](c2nc[nH]n2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000425549807 420415743 /nfs/dbraw/zinc/41/57/43/420415743.db2.gz OGQAUXUGRDDCNU-JTQLQIEISA-N 0 1 316.321 1.141 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000456738520 420535793 /nfs/dbraw/zinc/53/57/93/420535793.db2.gz UIVYDJBLAFATLB-HNNXBMFYSA-N 0 1 322.365 1.913 20 5 DDBDMN COc1cc(F)cc(C[C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000457058487 420598679 /nfs/dbraw/zinc/59/86/79/420598679.db2.gz NSYWNSQGLLJERM-MRVPVSSYSA-N 0 1 322.296 1.827 20 5 DDBDMN COC(=O)[C@H](O)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441230726 420640839 /nfs/dbraw/zinc/64/08/39/420640839.db2.gz JTXWTDMZVDKGNC-XHDPSFHLSA-N 0 1 322.361 1.902 20 5 DDBDMN COCC[C@@]1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000447395727 420770475 /nfs/dbraw/zinc/77/04/75/420770475.db2.gz UCWAVNNUBYFMEA-OAHLLOKOSA-N 0 1 320.349 1.756 20 5 DDBDMN CCOC(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000495677583 421046525 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CC(C)[C@](C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289423867 273558890 /nfs/dbraw/zinc/55/88/90/273558890.db2.gz UYKGWZXTLTUEFT-AWEZNQCLSA-N 0 1 308.338 1.023 20 5 DDBDMN CCN1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC000106806595 273664809 /nfs/dbraw/zinc/66/48/09/273664809.db2.gz XPYPFCBDXZGZGA-LBPRGKRZSA-N 0 1 322.365 1.040 20 5 DDBDMN C[C@@H]1OCC[C@]1(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315063878 278063679 /nfs/dbraw/zinc/06/36/79/278063679.db2.gz AIDDWHAAFIDUFI-UFBFGSQYSA-N 0 1 318.326 1.580 20 5 DDBDMN C[C@H](O)C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000330604174 278295353 /nfs/dbraw/zinc/29/53/53/278295353.db2.gz GSGDXPJNLFGFPD-NEPJUHHUSA-N 0 1 309.366 1.187 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000330411154 280369221 /nfs/dbraw/zinc/36/92/21/280369221.db2.gz AIMDOVXNMHJFSX-CYBMUJFWSA-N 0 1 307.350 1.207 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000330411154 280369222 /nfs/dbraw/zinc/36/92/22/280369222.db2.gz AIMDOVXNMHJFSX-CYBMUJFWSA-N 0 1 307.350 1.207 20 5 DDBDMN CN(C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000126770268 281252341 /nfs/dbraw/zinc/25/23/41/281252341.db2.gz XMSKXYJPCPNMBF-JTQLQIEISA-N 0 1 323.378 1.272 20 5 DDBDMN Cc1nc([C@@H](C)N2CCN(c3ncccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000411875030 293357654 /nfs/dbraw/zinc/35/76/54/293357654.db2.gz OUNCPQXQMAIWNZ-SNVBAGLBSA-N 0 1 317.353 1.300 20 5 DDBDMN COC(=O)CN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363562809 307031396 /nfs/dbraw/zinc/03/13/96/307031396.db2.gz ODCGSVXSEOLBKN-UHFFFAOYSA-N 0 1 307.350 1.276 20 5 DDBDMN CCc1ccccc1N1CCC(NC(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000368812175 301091584 /nfs/dbraw/zinc/09/15/84/301091584.db2.gz IVEYFEOGZKYWOJ-HOCLYGCPSA-N 0 1 317.389 1.999 20 5 DDBDMN O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000377455048 302181630 /nfs/dbraw/zinc/18/16/30/302181630.db2.gz GEUMYWHGDZXSFE-LEWSCRJBSA-N 0 1 323.780 1.948 20 5 DDBDMN CC1(C)C[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000377756243 302226932 /nfs/dbraw/zinc/22/69/32/302226932.db2.gz PYWAXNZBVQRAIF-SDDRHHMPSA-N 0 1 305.334 1.652 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000533113585 303309607 /nfs/dbraw/zinc/30/96/07/303309607.db2.gz HLFTXHXIQOKNGF-SNVBAGLBSA-N 0 1 302.294 1.128 20 5 DDBDMN COc1ccccc1OCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000534261151 303328027 /nfs/dbraw/zinc/32/80/27/303328027.db2.gz DMERFINNNUWSCP-UHFFFAOYSA-N 0 1 306.278 1.135 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(N)=O)C1 ZINC000367377993 307092368 /nfs/dbraw/zinc/09/23/68/307092368.db2.gz NVERFTSOIPHBAB-GHMZBOCLSA-N 0 1 320.349 1.119 20 5 DDBDMN O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000371266605 307145487 /nfs/dbraw/zinc/14/54/87/307145487.db2.gz OPWPQZPRAFVWEY-TZMCWYRMSA-N 0 1 316.317 1.768 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371275218 307146160 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CCC(=O)N(C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001285298092 910309441 /nfs/dbraw/zinc/30/94/41/910309441.db2.gz DUXMDGKWUUZZGX-CHWSQXEVSA-N 0 1 311.382 1.149 20 5 DDBDMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1cocc1C ZINC001294447930 915147927 /nfs/dbraw/zinc/14/79/27/915147927.db2.gz CQSSAZYTEYSZSZ-DGCLKSJQSA-N 0 1 323.349 1.222 20 5 DDBDMN O=C(CC1CCC1)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001294578870 915232565 /nfs/dbraw/zinc/23/25/65/915232565.db2.gz XJVMBSADNCNNIO-ZIAGYGMSSA-N 0 1 323.393 1.339 20 5 DDBDMN Cc1noc([C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000286546987 219048211 /nfs/dbraw/zinc/04/82/11/219048211.db2.gz KXLZNSDCGZTWCO-LBPRGKRZSA-N 0 1 318.289 1.969 20 5 DDBDMN C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543174 231122014 /nfs/dbraw/zinc/12/20/14/231122014.db2.gz BDKDARNXQCSYSH-ZYHUDNBSSA-N 0 1 320.349 1.358 20 5 DDBDMN CCc1n[nH]c(C(=O)N(C)[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000444257504 529464962 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O=C1NCCN1[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092188276 353846822 /nfs/dbraw/zinc/84/68/22/353846822.db2.gz JYGCZADCKLAVFC-LBPRGKRZSA-N 0 1 320.349 1.290 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(Cc2ccon2)CC1 ZINC000093560807 353902671 /nfs/dbraw/zinc/90/26/71/353902671.db2.gz NFWRPZYOXSBMJD-UHFFFAOYSA-N 0 1 318.333 1.606 20 5 DDBDMN CC(C)(CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128333702 354073218 /nfs/dbraw/zinc/07/32/18/354073218.db2.gz ZQXCMSZDMKUOSL-UHFFFAOYSA-N 0 1 306.315 1.031 20 5 DDBDMN COc1cccc(N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000585781964 354841281 /nfs/dbraw/zinc/84/12/81/354841281.db2.gz GTKLYKWYLNOSMY-STQMWFEESA-N 0 1 307.350 1.513 20 5 DDBDMN CN(Cc1n[nH]c(=O)o1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588849449 354942515 /nfs/dbraw/zinc/94/25/15/354942515.db2.gz PGWKVWZVMDSJCH-UHFFFAOYSA-N 0 1 317.261 1.437 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000590335538 355073487 /nfs/dbraw/zinc/07/34/87/355073487.db2.gz LYXASCOTJWMZKS-UHFFFAOYSA-N 0 1 307.354 1.219 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000590335538 355073488 /nfs/dbraw/zinc/07/34/88/355073488.db2.gz LYXASCOTJWMZKS-UHFFFAOYSA-N 0 1 307.354 1.219 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530720 355616295 /nfs/dbraw/zinc/61/62/95/355616295.db2.gz GILQIQUMOGUKBD-OCCSQVGLSA-N 0 1 308.334 1.259 20 5 DDBDMN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000592367319 355568479 /nfs/dbraw/zinc/56/84/79/355568479.db2.gz PJWLRASPAZFUBL-QWRGUYRKSA-N 0 1 314.363 1.136 20 5 DDBDMN O=C([O-])C[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000593747142 355984515 /nfs/dbraw/zinc/98/45/15/355984515.db2.gz UAFKNHABVSHNKU-GFCCVEGCSA-N 0 1 310.306 1.149 20 5 DDBDMN O=C([O-])C[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000593747142 355984520 /nfs/dbraw/zinc/98/45/20/355984520.db2.gz UAFKNHABVSHNKU-GFCCVEGCSA-N 0 1 310.306 1.149 20 5 DDBDMN O=C([O-])C[C@@H]1COCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000593746237 355985085 /nfs/dbraw/zinc/98/50/85/355985085.db2.gz ITNKDBIGDAFQSJ-CYBMUJFWSA-N 0 1 324.333 1.539 20 5 DDBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593752022 355986372 /nfs/dbraw/zinc/98/63/72/355986372.db2.gz KBKCAABXFXKJEY-HNNXBMFYSA-N 0 1 308.334 1.908 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CCSCC1 ZINC000594751982 356307499 /nfs/dbraw/zinc/30/74/99/356307499.db2.gz FGOVMVPWXOQAAU-UHFFFAOYSA-N 0 1 303.365 1.164 20 5 DDBDMN CCC(CC)[C@H](O)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761386 356310452 /nfs/dbraw/zinc/31/04/52/356310452.db2.gz XDZNHIUEEWJHOT-LLVKDONJSA-N 0 1 317.367 1.065 20 5 DDBDMN CC[C@@](C)(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC ZINC000594779102 356314483 /nfs/dbraw/zinc/31/44/83/356314483.db2.gz LDEOLTZZXWVAPI-NSHDSACASA-N 0 1 303.340 1.083 20 5 DDBDMN C[C@@H](CC(=O)[O-])[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595280548 356430917 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COC(=O)c1oc(CNCCn2cc([N+](=O)[O-])cn2)cc1C ZINC000597062198 357051793 /nfs/dbraw/zinc/05/17/93/357051793.db2.gz FUKNQGKOEFAQFZ-UHFFFAOYSA-N 0 1 308.294 1.269 20 5 DDBDMN CC[C@H]1CN(C)CCCN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000597604468 357250419 /nfs/dbraw/zinc/25/04/19/357250419.db2.gz IMSIQHUDIYFBQC-NSHDSACASA-N 0 1 309.370 1.368 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597858571 357361360 /nfs/dbraw/zinc/36/13/60/357361360.db2.gz NFTMIVXKCVIDDG-LLVKDONJSA-N 0 1 307.350 1.903 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597860559 357362270 /nfs/dbraw/zinc/36/22/70/357362270.db2.gz OPOBVHOYMYGKAE-JTQLQIEISA-N 0 1 307.350 1.903 20 5 DDBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000598645103 357667929 /nfs/dbraw/zinc/66/79/29/357667929.db2.gz DOKXKCKRNLTKSL-FZMZJTMJSA-N 0 1 322.361 1.912 20 5 DDBDMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598786562 357728634 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CNC(=O)CCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000154987785 197010722 /nfs/dbraw/zinc/01/07/22/197010722.db2.gz ABZZQEZWUFSNSL-UHFFFAOYSA-N 0 1 319.321 1.069 20 5 DDBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1[C@@H]1CCCO1 ZINC000289683206 221150788 /nfs/dbraw/zinc/15/07/88/221150788.db2.gz HUCLQSZCLQRODY-DZGCQCFKSA-N 0 1 321.377 1.646 20 5 DDBDMN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252656 533655293 /nfs/dbraw/zinc/65/52/93/533655293.db2.gz SIOJVNDIUXRVSU-SFYZADRCSA-N 0 1 305.381 1.075 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000299459558 533661128 /nfs/dbraw/zinc/66/11/28/533661128.db2.gz XUVJBKAMWCEHQU-LLVKDONJSA-N 0 1 301.306 1.999 20 5 DDBDMN O=C(NC[C@@H]1CCC[C@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360647599 299713135 /nfs/dbraw/zinc/71/31/35/299713135.db2.gz GMLRLDUBLIGSGN-MNOVXSKESA-N 0 1 308.334 1.829 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000271380074 407659828 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Cc1ccc(NC(=O)C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000172305203 407818101 /nfs/dbraw/zinc/81/81/01/407818101.db2.gz UDSXQZAYJRTKQQ-UHFFFAOYSA-N 0 1 320.349 1.054 20 5 DDBDMN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000238019191 407868731 /nfs/dbraw/zinc/86/87/31/407868731.db2.gz YKTTVWBMYLKSMI-YUMQZZPRSA-N 0 1 305.381 1.062 20 5 DDBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000272355385 407880107 /nfs/dbraw/zinc/88/01/07/407880107.db2.gz AWARCMREKJHWEZ-JTQLQIEISA-N 0 1 301.306 1.708 20 5 DDBDMN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1 ZINC000153702251 407885464 /nfs/dbraw/zinc/88/54/64/407885464.db2.gz SNIUDIBIPJOIFH-NXEZZACHSA-N 0 1 311.769 2.000 20 5 DDBDMN COc1cc(NC[C@H]2CN(C)CCN2C)c([N+](=O)[O-])cc1F ZINC000268223921 407955875 /nfs/dbraw/zinc/95/58/75/407955875.db2.gz SZLCFEGQVFGEOX-JTQLQIEISA-N 0 1 312.345 1.400 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000180816777 407920073 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C[C@H](CN(C)C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000168937610 162182804 /nfs/dbraw/zinc/18/28/04/162182804.db2.gz FZMUYEGMFLTZRA-SECBINFHSA-N 0 1 301.368 1.360 20 5 DDBDMN CC(C)[C@@H](CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000160475140 408486237 /nfs/dbraw/zinc/48/62/37/408486237.db2.gz JUTUMOMPBOBKRC-LLVKDONJSA-N 0 1 306.322 1.608 20 5 DDBDMN CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274711476 408505460 /nfs/dbraw/zinc/50/54/60/408505460.db2.gz YDOAQAFBNOGXOE-CYBMUJFWSA-N 0 1 322.317 1.858 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000270542247 408571410 /nfs/dbraw/zinc/57/14/10/408571410.db2.gz YHYFVVXYLNOAJD-SNVBAGLBSA-N 0 1 310.354 1.818 20 5 DDBDMN C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000184594785 408653400 /nfs/dbraw/zinc/65/34/00/408653400.db2.gz CRGCLHRNJSJSMG-LBPRGKRZSA-N 0 1 319.317 1.926 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CCO)[C@@H](C)C1 ZINC000249545169 408739579 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CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000269359815 408282007 /nfs/dbraw/zinc/28/20/07/408282007.db2.gz JAFAZYVIDITBSH-VIFPVBQESA-N 0 1 323.353 1.134 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000269384691 408290604 /nfs/dbraw/zinc/29/06/04/408290604.db2.gz KJNCLAJAEXVFPC-JTQLQIEISA-N 0 1 310.354 1.940 20 5 DDBDMN COCCN1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269399816 408296262 /nfs/dbraw/zinc/29/62/62/408296262.db2.gz URUFPLWWCPLIHL-JTQLQIEISA-N 0 1 300.746 1.776 20 5 DDBDMN CCOC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264142759 408379449 /nfs/dbraw/zinc/37/94/49/408379449.db2.gz FUXWYCUYCXOQIY-VIFPVBQESA-N 0 1 310.310 1.184 20 5 DDBDMN CCOC(=O)[C@](C)(O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274574854 408456122 /nfs/dbraw/zinc/45/61/22/408456122.db2.gz GIXBHDJVRZCXGW-MRXNPFEDSA-N 0 1 322.361 1.873 20 5 DDBDMN C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000274756776 408520818 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DDBDMN O=C(NCCn1cnc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000343162632 410197095 /nfs/dbraw/zinc/19/70/95/410197095.db2.gz HRNACPWGWLYYMF-UHFFFAOYSA-N 0 1 300.278 1.098 20 5 DDBDMN CCOc1cc(CN2[C@H](CO)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000347335152 410480450 /nfs/dbraw/zinc/48/04/50/410480450.db2.gz NKQHOKHAALBMNA-STQMWFEESA-N 0 1 310.350 1.311 20 5 DDBDMN C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000352952638 410699246 /nfs/dbraw/zinc/69/92/46/410699246.db2.gz VXJVMUKNUPRGIM-WDEREUQCSA-N 0 1 313.379 1.356 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](CN3CCOCC3)C2)nc1 ZINC000301222162 410679173 /nfs/dbraw/zinc/67/91/73/410679173.db2.gz CEIRGMNLNDSMBU-CYBMUJFWSA-N 0 1 306.366 1.538 20 5 DDBDMN COC(=O)COc1ccc(CN2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355762812 410682692 /nfs/dbraw/zinc/68/26/92/410682692.db2.gz TTZKHGGXFZLWHU-HNNXBMFYSA-N 0 1 324.333 1.103 20 5 DDBDMN CC(C)CN1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330534944 410756182 /nfs/dbraw/zinc/75/61/82/410756182.db2.gz RIGMPZRAQGQFKJ-GFCCVEGCSA-N 0 1 324.381 1.020 20 5 DDBDMN CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343884842 410775974 /nfs/dbraw/zinc/77/59/74/410775974.db2.gz VRKWPMQYDWUDTF-YPMHNXCESA-N 0 1 308.382 1.883 20 5 DDBDMN O=[N+]([O-])c1cnc2ccc(NCCCCN3CCOCC3)nn21 ZINC000301834280 410810016 /nfs/dbraw/zinc/81/00/16/410810016.db2.gz KHYMAYSONLEZQE-UHFFFAOYSA-N 0 1 320.353 1.162 20 5 DDBDMN COc1ccc(NC(=O)CN2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000330661460 410860075 /nfs/dbraw/zinc/86/00/75/410860075.db2.gz CJULUEGOVDQBKA-LLVKDONJSA-N 0 1 322.365 1.178 20 5 DDBDMN CO[C@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000359808763 410891135 /nfs/dbraw/zinc/89/11/35/410891135.db2.gz ZXQAETIPKLKZNR-AWEZNQCLSA-N 0 1 320.305 1.006 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(Cc2ccccc2F)CC1 ZINC000360156209 411078154 /nfs/dbraw/zinc/07/81/54/411078154.db2.gz CMLBGCGIGBJCBW-HIFRSBDPSA-N 0 1 321.352 1.525 20 5 DDBDMN 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DDBDMN C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000344671247 272085294 /nfs/dbraw/zinc/08/52/94/272085294.db2.gz OFMUVPSRVTXSDS-LBPRGKRZSA-N 0 1 322.365 1.546 20 5 DDBDMN CC(C)[C@@H](CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000344823259 272124752 /nfs/dbraw/zinc/12/47/52/272124752.db2.gz IKRIDVPWVOFIBC-SECBINFHSA-N 0 1 320.342 1.277 20 5 DDBDMN C[C@@H](CN(C)C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286526927 278239826 /nfs/dbraw/zinc/23/98/26/278239826.db2.gz BJBXNMZVRDTLQN-NSHDSACASA-N 0 1 315.395 1.007 20 5 DDBDMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000456367280 288284041 /nfs/dbraw/zinc/28/40/41/288284041.db2.gz DJIJBNLLHQVBQH-NSHDSACASA-N 0 1 307.350 1.857 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1 ZINC000332336396 281007994 /nfs/dbraw/zinc/00/79/94/281007994.db2.gz VYAMZIJWPVXMIO-GJZGRUSLSA-N 0 1 319.361 1.448 20 5 DDBDMN O=C(NCc1cccc(OC(F)F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000127050839 281261118 /nfs/dbraw/zinc/26/11/18/281261118.db2.gz CRBYCHUBODNKIP-UHFFFAOYSA-N 0 1 312.232 1.849 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1 ZINC000273495340 290156523 /nfs/dbraw/zinc/15/65/23/290156523.db2.gz PEIGWLTVNLDZTO-MFKMUULPSA-N 0 1 305.334 1.467 20 5 DDBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000355267861 298693053 /nfs/dbraw/zinc/69/30/53/298693053.db2.gz MKVUUKIPDRBTJL-MRVPVSSYSA-N 0 1 303.274 1.892 20 5 DDBDMN Cc1noc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000357084972 298958543 /nfs/dbraw/zinc/95/85/43/298958543.db2.gz BXVYYZVTHOOQRE-SSDOTTSWSA-N 0 1 312.307 1.326 20 5 DDBDMN Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n[nH]2)o1 ZINC000357944339 299027852 /nfs/dbraw/zinc/02/78/52/299027852.db2.gz KIVLORPIOCUTBF-UHFFFAOYSA-N 0 1 317.265 1.267 20 5 DDBDMN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000362476715 300073852 /nfs/dbraw/zinc/07/38/52/300073852.db2.gz MKXCITBHZRLHMY-SECBINFHSA-N 0 1 323.349 1.676 20 5 DDBDMN Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)c(C)c1 ZINC000363651747 300293001 /nfs/dbraw/zinc/29/30/01/300293001.db2.gz OIHOASOUXGESBE-KFWWJZLASA-N 0 1 304.346 1.869 20 5 DDBDMN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@H]1CC1[N+](=O)[O-] ZINC000364054183 300339292 /nfs/dbraw/zinc/33/92/92/300339292.db2.gz PNLUZXZFJPTCMR-VDDIYKPWSA-N 0 1 311.288 1.325 20 5 DDBDMN O=[N+]([O-])c1cnc(N2CCC(CCN3CCOCC3)CC2)nc1 ZINC000368089350 300951097 /nfs/dbraw/zinc/95/10/97/300951097.db2.gz BIMVSIYEJXUQBA-UHFFFAOYSA-N 0 1 321.381 1.324 20 5 DDBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000368872065 301098004 /nfs/dbraw/zinc/09/80/04/301098004.db2.gz GEMFBVGHQSTXIV-KHMAMNHCSA-N 0 1 320.345 1.393 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1COc1ccc(F)cc1 ZINC000370296042 301311636 /nfs/dbraw/zinc/31/16/36/301311636.db2.gz YCDXKKIGGNGPHW-MRVWCRGKSA-N 0 1 308.309 1.861 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000370303543 301312574 /nfs/dbraw/zinc/31/25/74/301312574.db2.gz SXLBNVJJMZDNCN-WYUUTHIRSA-N 0 1 310.375 1.828 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000378234847 302301368 /nfs/dbraw/zinc/30/13/68/302301368.db2.gz MOSRLCOFAGPQAB-NXEZZACHSA-N 0 1 308.338 1.379 20 5 DDBDMN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443062 302384955 /nfs/dbraw/zinc/38/49/55/302384955.db2.gz ABKCXAYLASLLTK-HTQZYQBOSA-N 0 1 305.381 1.062 20 5 DDBDMN C[C@@H]1CN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000531441814 303245398 /nfs/dbraw/zinc/24/53/98/303245398.db2.gz CWYXEIQKQVCLPK-JTNHKYCSSA-N 0 1 317.345 1.815 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3ccncn3)C2)n1 ZINC000363428954 307027808 /nfs/dbraw/zinc/02/78/08/307027808.db2.gz FNFJTZQLRHZKIQ-GFCCVEGCSA-N 0 1 302.338 1.461 20 5 DDBDMN O=C(N[C@@H]1CCc2ccccc2OC1)c1n[nH]cc1[N+](=O)[O-] ZINC000367274730 307091238 /nfs/dbraw/zinc/09/12/38/307091238.db2.gz ONELGMXLXHSRBO-SNVBAGLBSA-N 0 1 302.290 1.442 20 5 DDBDMN O=C(NC1CCN(c2cccc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000369562327 307124234 /nfs/dbraw/zinc/12/42/34/307124234.db2.gz ZKIDKIXJJUEKGZ-ZIAGYGMSSA-N 0 1 307.325 1.576 20 5 DDBDMN Cc1nnc([C@@H]2CC23CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC3)o1 ZINC000370861836 307138570 /nfs/dbraw/zinc/13/85/70/307138570.db2.gz YKZBLKKIUJQDHT-GARJFASQSA-N 0 1 306.322 1.139 20 5 DDBDMN C[C@@H]1COCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000374349476 307206213 /nfs/dbraw/zinc/20/62/13/307206213.db2.gz HVQYTMKKQWBSML-VIFPVBQESA-N 0 1 304.306 1.580 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000375962492 307236273 /nfs/dbraw/zinc/23/62/73/307236273.db2.gz OITWEWJVHKYBFR-HNNXBMFYSA-N 0 1 320.324 1.524 20 5 DDBDMN NC(=O)c1cnccc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000546578077 307728950 /nfs/dbraw/zinc/72/89/50/307728950.db2.gz DDSYYBPKUSVWIO-UHFFFAOYSA-N 0 1 320.736 1.819 20 5 DDBDMN O=C(NCc1cnc2n1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557190725 307866754 /nfs/dbraw/zinc/86/67/54/307866754.db2.gz ZVJXIAALAFWBLY-UHFFFAOYSA-N 0 1 316.317 1.763 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000564803667 308006616 /nfs/dbraw/zinc/00/66/16/308006616.db2.gz SLVJOIHBWARPGC-QWHCGFSZSA-N 0 1 324.333 1.667 20 5 DDBDMN CCC[N@@H+](C)C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000576351168 308308743 /nfs/dbraw/zinc/30/87/43/308308743.db2.gz RZBGDWADMXEOCD-NSHDSACASA-N 0 1 322.365 1.856 20 5 DDBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000397482472 337265208 /nfs/dbraw/zinc/26/52/08/337265208.db2.gz GDKLGQOTGQDQCN-QWRGUYRKSA-N 0 1 321.333 1.718 20 5 DDBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000397482472 337265209 /nfs/dbraw/zinc/26/52/09/337265209.db2.gz GDKLGQOTGQDQCN-QWRGUYRKSA-N 0 1 321.333 1.718 20 5 DDBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@]1(C)CO ZINC000595874491 490372130 /nfs/dbraw/zinc/37/21/30/490372130.db2.gz PCNNODFNRQTKFK-MEDUHNTESA-N 0 1 322.361 1.912 20 5 DDBDMN COc1ccc(NC(=O)CCN2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000451190033 534066378 /nfs/dbraw/zinc/06/63/78/534066378.db2.gz GAGVCMGOYWDJDX-SNVBAGLBSA-N 0 1 311.313 1.976 20 5 DDBDMN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000156015273 519675730 /nfs/dbraw/zinc/67/57/30/519675730.db2.gz AHOWTNUTZTUWSL-NSHDSACASA-N 0 1 322.365 1.546 20 5 DDBDMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000156015273 519675731 /nfs/dbraw/zinc/67/57/31/519675731.db2.gz AHOWTNUTZTUWSL-NSHDSACASA-N 0 1 322.365 1.546 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3COC[C@H]3O)o2)cc1 ZINC000295779193 534881083 /nfs/dbraw/zinc/88/10/83/534881083.db2.gz YZJDGBUTDORALP-ZIAGYGMSSA-N 0 1 304.302 1.704 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000294592620 528543703 /nfs/dbraw/zinc/54/37/03/528543703.db2.gz PMGGZXOJJRHLLD-JTQLQIEISA-N 0 1 310.354 1.505 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 ZINC000422825864 528611000 /nfs/dbraw/zinc/61/10/00/528611000.db2.gz QCTREZFQANRHQL-GHMZBOCLSA-N 0 1 307.350 1.816 20 5 DDBDMN Cn1ccnc1[C@@H]([NH2+]CCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000821304675 597664853 /nfs/dbraw/zinc/66/48/53/597664853.db2.gz AZIAHEDYVQVPTF-AWEZNQCLSA-N 0 1 318.333 1.872 20 5 DDBDMN CC(=O)NCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000819780561 597705431 /nfs/dbraw/zinc/70/54/31/597705431.db2.gz JYVGPCRUUMCDBS-NSHDSACASA-N 0 1 323.349 1.314 20 5 DDBDMN C[C@H](C[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000736570718 600371629 /nfs/dbraw/zinc/37/16/29/600371629.db2.gz FIUVMHYTQCELKV-SNVBAGLBSA-N 0 1 309.322 1.576 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000739597842 601088149 /nfs/dbraw/zinc/08/81/49/601088149.db2.gz BJTWLULJKUDHCS-LLVKDONJSA-N 0 1 317.305 1.217 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000739597842 601088151 /nfs/dbraw/zinc/08/81/51/601088151.db2.gz BJTWLULJKUDHCS-LLVKDONJSA-N 0 1 317.305 1.217 20 5 DDBDMN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000829743822 601727275 /nfs/dbraw/zinc/72/72/75/601727275.db2.gz CKYAWPMGMVSCJA-RNCFNFMXSA-N 0 1 321.333 1.363 20 5 DDBDMN C[C@@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828463854 601816632 /nfs/dbraw/zinc/81/66/32/601816632.db2.gz RPKKZZXHXNKNCX-PSASIEDQSA-N 0 1 321.289 1.113 20 5 DDBDMN C[C@@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828463854 601816633 /nfs/dbraw/zinc/81/66/33/601816633.db2.gz RPKKZZXHXNKNCX-PSASIEDQSA-N 0 1 321.289 1.113 20 5 DDBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000828341793 603487050 /nfs/dbraw/zinc/48/70/50/603487050.db2.gz UZQRYNDPTMXVKK-LLVKDONJSA-N 0 1 309.322 1.658 20 5 DDBDMN CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826911850 603705682 /nfs/dbraw/zinc/70/56/82/603705682.db2.gz 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COC(=O)[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000280236218 354420791 /nfs/dbraw/zinc/42/07/91/354420791.db2.gz KEGHMGBPNXBHIL-ZYHUDNBSSA-N 0 1 308.334 1.844 20 5 DDBDMN C[C@@H]1SCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313248024 354478617 /nfs/dbraw/zinc/47/86/17/354478617.db2.gz WWSODZBNHILAHD-IONNQARKSA-N 0 1 320.367 1.906 20 5 DDBDMN CCN1CCC[C@@H](Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000587416338 354882666 /nfs/dbraw/zinc/88/26/66/354882666.db2.gz XSIYIENJPXOHHK-LLVKDONJSA-N 0 1 322.365 1.981 20 5 DDBDMN Cc1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588863636 354944609 /nfs/dbraw/zinc/94/46/09/354944609.db2.gz SGMITZDFPYJMLW-OLZOCXBDSA-N 0 1 319.361 1.184 20 5 DDBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000592828142 355704980 /nfs/dbraw/zinc/70/49/80/355704980.db2.gz DGFMBNBKKSRCDS-LLVKDONJSA-N 0 1 307.350 1.857 20 5 DDBDMN CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592976904 355760347 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DDBDMN [NH3+]CC(F)(F)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000593907960 356053068 /nfs/dbraw/zinc/05/30/68/356053068.db2.gz WMKAVOKWACZABW-UHFFFAOYSA-N 0 1 309.656 1.876 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000593829962 356013889 /nfs/dbraw/zinc/01/38/89/356013889.db2.gz ISYGGNXWAYGZSG-SNVBAGLBSA-N 0 1 324.381 1.751 20 5 DDBDMN N[C@H](c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)[C@H]1CCCO1 ZINC000594651258 356274799 /nfs/dbraw/zinc/27/47/99/356274799.db2.gz HADZSFNSHWFPIN-ZIAGYGMSSA-N 0 1 303.322 1.413 20 5 DDBDMN O=C([O-])[C@]12C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1CCCC2 ZINC000595279450 356430983 /nfs/dbraw/zinc/43/09/83/356430983.db2.gz ODSNRUMKFZQETO-BXUZGUMPSA-N 0 1 308.338 1.368 20 5 DDBDMN O=C1CC[C@@H]2C[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728759 356625160 /nfs/dbraw/zinc/62/51/60/356625160.db2.gz OKLVFHUKOCZNGK-MFKMUULPSA-N 0 1 305.334 1.401 20 5 DDBDMN C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596048025 356753102 /nfs/dbraw/zinc/75/31/02/356753102.db2.gz DGQJRBOJHCQSEL-LLVKDONJSA-N 0 1 319.770 1.279 20 5 DDBDMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596071055 356761914 /nfs/dbraw/zinc/76/19/14/356761914.db2.gz WXGPLUSIMUMSOR-VXGBXAGGSA-N 0 1 320.349 1.419 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC1CN(C)C1 ZINC000596626081 356935835 /nfs/dbraw/zinc/93/58/35/356935835.db2.gz ZOUDCNNOYDLSSN-UHFFFAOYSA-N 0 1 308.338 1.629 20 5 DDBDMN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@]1(C)CO ZINC000597237037 357105866 /nfs/dbraw/zinc/10/58/66/357105866.db2.gz VZCDNDMKWCXXHT-BDJLRTHQSA-N 0 1 322.361 1.816 20 5 DDBDMN Cc1nc(CC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000597351352 357143842 /nfs/dbraw/zinc/14/38/42/357143842.db2.gz VGBGONIXYUAXCE-SECBINFHSA-N 0 1 303.322 1.750 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000597896244 357374491 /nfs/dbraw/zinc/37/44/91/357374491.db2.gz OBSXZHGPYJLWNC-SNVBAGLBSA-N 0 1 317.305 1.054 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000597858163 357361078 /nfs/dbraw/zinc/36/10/78/357361078.db2.gz KZZCFBBTMSWKDR-NSHDSACASA-N 0 1 307.350 1.903 20 5 DDBDMN C[C@@H]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ncnn21 ZINC000597929133 357386254 /nfs/dbraw/zinc/38/62/54/357386254.db2.gz BFFKOWVFVHLPEB-HQJQHLMTSA-N 0 1 303.278 1.328 20 5 DDBDMN CCOC(=O)C12CC(C1)CN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598442280 357581860 /nfs/dbraw/zinc/58/18/60/357581860.db2.gz FIYPBVJSWSSCKI-UHFFFAOYSA-N 0 1 320.301 1.468 20 5 DDBDMN COC(=O)c1ccnc(NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000598626904 357660664 /nfs/dbraw/zinc/66/06/64/357660664.db2.gz CNIMMUFSNNIYTN-UHFFFAOYSA-N 0 1 320.309 1.630 20 5 DDBDMN CC[C@@H](C)N1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598632268 357662559 /nfs/dbraw/zinc/66/25/59/357662559.db2.gz CQKSJKHDZCXIBW-LLVKDONJSA-N 0 1 322.365 1.697 20 5 DDBDMN CC1(C)CC[C@@H](CO)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598648161 357669341 /nfs/dbraw/zinc/66/93/41/357669341.db2.gz OETAJHAZPZCUBO-ZDUSSCGKSA-N 0 1 321.377 1.677 20 5 DDBDMN C[C@H]1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599213100 357852568 /nfs/dbraw/zinc/85/25/68/357852568.db2.gz LMSSOJUYLKBZRV-DTWKUNHWSA-N 0 1 302.356 1.185 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2=CCCCC2)n1 ZINC000599207131 357850359 /nfs/dbraw/zinc/85/03/59/357850359.db2.gz PWZFWBXXLPVPSZ-UHFFFAOYSA-N 0 1 314.367 1.497 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N(C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599672296 358018724 /nfs/dbraw/zinc/01/87/24/358018724.db2.gz KXPMNOGLFJGYCA-UPJWGTAASA-N 0 1 321.377 1.933 20 5 DDBDMN CC1(c2nc(=NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s[n-]2)CC1 ZINC000600831480 358328508 /nfs/dbraw/zinc/32/85/08/358328508.db2.gz AHDVBASANMSFSN-UHFFFAOYSA-N 0 1 321.318 1.273 20 5 DDBDMN COc1cc(C(=O)NCCc2nc[nH]n2)cc([N+](=O)[O-])c1C ZINC000276624553 213007625 /nfs/dbraw/zinc/00/76/25/213007625.db2.gz JQTANJTWZSLIBB-UHFFFAOYSA-N 0 1 305.294 1.002 20 5 DDBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN(C)C1=O ZINC000601967818 358757662 /nfs/dbraw/zinc/75/76/62/358757662.db2.gz CJFWRDNVWXVBGK-OAHLLOKOSA-N 0 1 321.377 1.916 20 5 DDBDMN CCCNC(=O)CN(CCC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602767660 359176972 /nfs/dbraw/zinc/17/69/72/359176972.db2.gz VFWBGFPAVCZGRH-UHFFFAOYSA-N 0 1 311.386 1.338 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC=C(c2ccnn2C)CC1 ZINC000602832928 359225171 /nfs/dbraw/zinc/22/51/71/359225171.db2.gz TWXWAJKVJKLEPH-UHFFFAOYSA-N 0 1 316.365 1.623 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCCc2c1cnn2C ZINC000602802068 359202152 /nfs/dbraw/zinc/20/21/52/359202152.db2.gz SPTKQVVSPTUVFO-CYBMUJFWSA-N 0 1 318.381 1.843 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)Nc2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC000602952565 359318431 /nfs/dbraw/zinc/31/84/31/359318431.db2.gz NPJYSFWTXFODPX-NWDGAFQWSA-N 0 1 321.381 1.667 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC=C(c2cnn(C)c2)C1 ZINC000602883213 359266914 /nfs/dbraw/zinc/26/69/14/359266914.db2.gz PDDHYDXRRJERFP-UHFFFAOYSA-N 0 1 316.365 1.623 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1 ZINC000602990052 359342443 /nfs/dbraw/zinc/34/24/43/359342443.db2.gz HVMUNFDTLHIJEE-IAQYHMDHSA-N 0 1 322.361 1.974 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](C)[C@H]2CO)c1 ZINC000602990052 359342448 /nfs/dbraw/zinc/34/24/48/359342448.db2.gz HVMUNFDTLHIJEE-IAQYHMDHSA-N 0 1 322.361 1.974 20 5 DDBDMN COCC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603435197 359638002 /nfs/dbraw/zinc/63/80/02/359638002.db2.gz SPEIAZOGPJZKOE-JTQLQIEISA-N 0 1 320.292 1.683 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000610091058 360380848 /nfs/dbraw/zinc/38/08/48/360380848.db2.gz DFTNIXFJGNHZNH-SSDOTTSWSA-N 0 1 322.243 1.284 20 5 DDBDMN O=C(NCc1c[nH]nn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000610494440 360452198 /nfs/dbraw/zinc/45/21/98/360452198.db2.gz HXAXBSILUWZJOR-UHFFFAOYSA-N 0 1 303.303 1.858 20 5 DDBDMN CC(C)(C)c1ccc(C(=O)NCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000610663200 360495031 /nfs/dbraw/zinc/49/50/31/360495031.db2.gz IRQDOVPXWVGVFY-UHFFFAOYSA-N 0 1 303.322 1.940 20 5 DDBDMN CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611088226 360620261 /nfs/dbraw/zinc/62/02/61/360620261.db2.gz KHSBLFOABVWZON-ZDUSSCGKSA-N 0 1 320.393 1.949 20 5 DDBDMN Cc1cc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000611146797 360636853 /nfs/dbraw/zinc/63/68/53/360636853.db2.gz SBGWBMJIJNRJJI-UHFFFAOYSA-N 0 1 303.322 1.668 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000611355457 360704547 /nfs/dbraw/zinc/70/45/47/360704547.db2.gz ADZXMADYKYLPGG-NEPJUHHUSA-N 0 1 322.365 1.905 20 5 DDBDMN CN1CC2(C1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000619251729 363945540 /nfs/dbraw/zinc/94/55/40/363945540.db2.gz NZWCYONSMSIQRD-UHFFFAOYSA-N 0 1 323.780 1.955 20 5 DDBDMN Cc1c(CC(=O)N2CCC3(CN(C)C3)C2)cccc1[N+](=O)[O-] ZINC000619565839 364062731 /nfs/dbraw/zinc/06/27/31/364062731.db2.gz GJCJNHNRBQFHBE-UHFFFAOYSA-N 0 1 303.362 1.610 20 5 DDBDMN C[C@H]1c2ccsc2CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382010 205305058 /nfs/dbraw/zinc/30/50/58/205305058.db2.gz AYSUYPNZTOOVQW-CMPLNLGQSA-N 0 1 322.390 1.833 20 5 DDBDMN O=C(CCN1CC[C@@](F)(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000338587148 250043129 /nfs/dbraw/zinc/04/31/29/250043129.db2.gz IGMGFEOVSRQURM-AWEZNQCLSA-N 0 1 311.313 1.330 20 5 DDBDMN O=C([C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000339198967 250339767 /nfs/dbraw/zinc/33/97/67/250339767.db2.gz LQSCYYBANSSQFD-LBPRGKRZSA-N 0 1 319.361 1.745 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000268890981 207060428 /nfs/dbraw/zinc/06/04/28/207060428.db2.gz MLVHQEQRCOUVOQ-HZMBPMFUSA-N 0 1 308.338 1.394 20 5 DDBDMN O=C(NCc1nncn1C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269170634 207292846 /nfs/dbraw/zinc/29/28/46/207292846.db2.gz HGWIOOQNFKYTDS-UHFFFAOYSA-N 0 1 303.278 1.157 20 5 DDBDMN Cc1c(NC(=O)CCN2CCNC(=O)CC2)cccc1[N+](=O)[O-] ZINC000065955331 184383970 /nfs/dbraw/zinc/38/39/70/184383970.db2.gz CIWSBQVJSBZUFN-UHFFFAOYSA-N 0 1 320.349 1.054 20 5 DDBDMN CN(C)C1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000158475154 197276611 /nfs/dbraw/zinc/27/66/11/197276611.db2.gz DCAGEAWZKXXVGP-UHFFFAOYSA-N 0 1 304.350 1.555 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419317798 533220376 /nfs/dbraw/zinc/22/03/76/533220376.db2.gz APMDUYWKCNIWBP-CHWSQXEVSA-N 0 1 323.393 1.490 20 5 DDBDMN C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543171 533236749 /nfs/dbraw/zinc/23/67/49/533236749.db2.gz BDKDARNXQCSYSH-CMPLNLGQSA-N 0 1 320.349 1.358 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCN(Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000299446631 533659768 /nfs/dbraw/zinc/65/97/68/533659768.db2.gz NTRREWSLFMIFBK-UHFFFAOYSA-N 0 1 319.321 1.177 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000439931106 533660049 /nfs/dbraw/zinc/66/00/49/533660049.db2.gz UYCAJBCREYHBDA-WDEREUQCSA-N 0 1 308.338 1.515 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000299458594 533657751 /nfs/dbraw/zinc/65/77/51/533657751.db2.gz XPFHLUSSSXGOCH-UHFFFAOYSA-N 0 1 318.289 1.627 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353555182 285799591 /nfs/dbraw/zinc/79/95/91/285799591.db2.gz MXEVHLSXYSIFAY-AAEUAGOBSA-N 0 1 310.306 1.063 20 5 DDBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1 ZINC000077221022 406980981 /nfs/dbraw/zinc/98/09/81/406980981.db2.gz UEQIFKWFWGHDFW-NSHDSACASA-N 0 1 303.318 1.982 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(CN2CCOCC2)CC1 ZINC000048481771 407099310 /nfs/dbraw/zinc/09/93/10/407099310.db2.gz QDJRITYYFVVMCW-UHFFFAOYSA-N 0 1 323.349 1.372 20 5 DDBDMN C[C@H](NCc1cc(=O)n2nccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180399453 306694754 /nfs/dbraw/zinc/69/47/54/306694754.db2.gz GNSZXQDBOSXMFO-JTQLQIEISA-N 0 1 313.317 1.782 20 5 DDBDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000091081888 407177370 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O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271267857 407606158 /nfs/dbraw/zinc/60/61/58/407606158.db2.gz LDGQOFNVJHBIHO-CHWSQXEVSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@@H](Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])c1nnc[nH]1 ZINC000226499789 407620020 /nfs/dbraw/zinc/62/00/20/407620020.db2.gz PRTIZNLEIMZUCH-SSDOTTSWSA-N 0 1 311.323 1.290 20 5 DDBDMN CN(C(=O)C[N@H+]1CC[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153931719 407936181 /nfs/dbraw/zinc/93/61/81/407936181.db2.gz YUZZOFSFOKDISY-MRXNPFEDSA-N 0 1 319.361 1.670 20 5 DDBDMN CN(C(=O)CN1CC[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153931719 407936187 /nfs/dbraw/zinc/93/61/87/407936187.db2.gz YUZZOFSFOKDISY-MRXNPFEDSA-N 0 1 319.361 1.670 20 5 DDBDMN CCC1(CC)[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000245613147 408030203 /nfs/dbraw/zinc/03/02/03/408030203.db2.gz OQFKKUQPTSGAQL-XXILOJSOSA-N 0 1 310.354 1.887 20 5 DDBDMN COC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272578396 407991856 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C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1CO ZINC000190429045 408241501 /nfs/dbraw/zinc/24/15/01/408241501.db2.gz HEWIKXRIRHGSRD-IINYFYTJSA-N 0 1 308.334 1.664 20 5 DDBDMN Nc1c(C(=O)Nc2ccc3[nH]nnc3c2)cc(F)cc1[N+](=O)[O-] ZINC000175831261 408218077 /nfs/dbraw/zinc/21/80/77/408218077.db2.gz OPKPIANPYUSPDX-UHFFFAOYSA-N 0 1 316.252 1.840 20 5 DDBDMN C[C@@H](CN(C)C(=O)CCc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000183400310 408400724 /nfs/dbraw/zinc/40/07/24/408400724.db2.gz SNCJYNOGHYHZEB-JTQLQIEISA-N 0 1 318.337 1.303 20 5 DDBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCN(C)C ZINC000176970831 408487316 /nfs/dbraw/zinc/48/73/16/408487316.db2.gz QGIWIJAIZHKFJG-UHFFFAOYSA-N 0 1 315.395 1.394 20 5 DDBDMN COc1ccc(OCCN(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000177139285 408530473 /nfs/dbraw/zinc/53/04/73/408530473.db2.gz FTYGTZXQAXQOGN-UHFFFAOYSA-N 0 1 307.310 1.232 20 5 DDBDMN NS(=O)(=O)C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265205458 408578834 /nfs/dbraw/zinc/57/88/34/408578834.db2.gz KNNCQVJRERXVMN-LBPRGKRZSA-N 0 1 313.379 1.095 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000192935144 408672724 /nfs/dbraw/zinc/67/27/24/408672724.db2.gz NHPOSBQWEQKYIQ-HNNXBMFYSA-N 0 1 324.381 1.894 20 5 DDBDMN Nc1c(C(=O)Nc2nc(C3CCC3)n[nH]2)cccc1[N+](=O)[O-] ZINC000184602996 408652288 /nfs/dbraw/zinc/65/22/88/408652288.db2.gz VKCKEFRRBCXFHG-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN Nc1c(C(=O)Nc2n[nH]c(C3CCC3)n2)cccc1[N+](=O)[O-] ZINC000184602996 408652293 /nfs/dbraw/zinc/65/22/93/408652293.db2.gz VKCKEFRRBCXFHG-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN O=C1CCCN1[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000270874703 408719556 /nfs/dbraw/zinc/71/95/56/408719556.db2.gz JQFSYHUUKMGFMZ-GJZGRUSLSA-N 0 1 319.361 1.325 20 5 DDBDMN C[C@@H](C[S@@](C)=O)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126373 408764678 /nfs/dbraw/zinc/76/46/78/408764678.db2.gz NDDLCHFPWBEEST-PRWKNARSSA-N 0 1 300.380 1.672 20 5 DDBDMN COC(=O)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000276517764 408874171 /nfs/dbraw/zinc/87/41/71/408874171.db2.gz BYJXWCBQWUWPGQ-NOZJJQNGSA-N 0 1 322.317 1.572 20 5 DDBDMN COC(=O)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000276517767 408874344 /nfs/dbraw/zinc/87/43/44/408874344.db2.gz BYJXWCBQWUWPGQ-RNCFNFMXSA-N 0 1 322.317 1.572 20 5 DDBDMN CSc1n[nH]c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000280797694 408835846 /nfs/dbraw/zinc/83/58/46/408835846.db2.gz LSKVDXMUMUGJIB-UHFFFAOYSA-N 0 1 323.334 1.761 20 5 DDBDMN CC[C@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276365543 408843061 /nfs/dbraw/zinc/84/30/61/408843061.db2.gz ZUZHJNQHTKUQGF-CYBMUJFWSA-N 0 1 311.357 1.622 20 5 DDBDMN Cc1cc(C[C@@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])[nH]n1 ZINC000290855797 408845133 /nfs/dbraw/zinc/84/51/33/408845133.db2.gz XXAMUYGOBGEMJA-SSDOTTSWSA-N 0 1 304.310 1.163 20 5 DDBDMN Cc1nc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000285769748 408860538 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CN1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284414801 409342303 /nfs/dbraw/zinc/34/23/03/409342303.db2.gz BUPBFPSAYNBTBK-NWDGAFQWSA-N 0 1 312.757 1.553 20 5 DDBDMN CCc1nc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000295268749 409407072 /nfs/dbraw/zinc/40/70/72/409407072.db2.gz GRVMNVVQQOVRMH-UHFFFAOYSA-N 0 1 319.321 1.279 20 5 DDBDMN CC(C)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nncn1C ZINC000285415997 409437735 /nfs/dbraw/zinc/43/77/35/409437735.db2.gz PWTFPMTXVCHTAM-KGLIPLIRSA-N 0 1 319.365 1.744 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295405778 409467393 /nfs/dbraw/zinc/46/73/93/409467393.db2.gz KQPWNVDNCPNDRI-UHFFFAOYSA-N 0 1 301.306 1.829 20 5 DDBDMN C[C@@H](CCCO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295492484 409506063 /nfs/dbraw/zinc/50/60/63/409506063.db2.gz RSILKPHZQXVANL-VIFPVBQESA-N 0 1 306.322 1.610 20 5 DDBDMN C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000296564837 409619674 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DDBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCN1C1CCOCC1 ZINC000610479546 360445680 /nfs/dbraw/zinc/44/56/80/360445680.db2.gz AVGORHWDTHSQIF-HNNXBMFYSA-N 0 1 319.361 1.464 20 5 DDBDMN Cc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ncn1 ZINC000611138540 360634403 /nfs/dbraw/zinc/63/44/03/360634403.db2.gz NIYVIKXUVNPFDY-UHFFFAOYSA-N 0 1 312.289 1.500 20 5 DDBDMN CCOC(=O)C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000611237148 360672848 /nfs/dbraw/zinc/67/28/48/360672848.db2.gz ABZVBMOEDKMAOV-OAHLLOKOSA-N 0 1 322.361 1.873 20 5 DDBDMN Cc1cc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000611539153 360753373 /nfs/dbraw/zinc/75/33/73/360753373.db2.gz BHNVTXXXWAADBS-UHFFFAOYSA-N 0 1 324.362 1.288 20 5 DDBDMN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611559664 360760177 /nfs/dbraw/zinc/76/01/77/360760177.db2.gz AYRJBWWCRGCMMB-IAQYHMDHSA-N 0 1 322.317 1.368 20 5 DDBDMN CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000374785609 307214093 /nfs/dbraw/zinc/21/40/93/307214093.db2.gz WGKRSZFDCDBVFG-UHFFFAOYSA-N 0 1 307.350 1.858 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(CC(F)(F)F)C2)c1 ZINC000612681128 361108042 /nfs/dbraw/zinc/10/80/42/361108042.db2.gz YRFLLROCXJZZTE-JTQLQIEISA-N 0 1 308.260 1.036 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619574352 364067774 /nfs/dbraw/zinc/06/77/74/364067774.db2.gz SALQHCRKJIBZMA-STQMWFEESA-N 0 1 323.324 1.559 20 5 DDBDMN COC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000619729769 364134281 /nfs/dbraw/zinc/13/42/81/364134281.db2.gz VFZRYNXMUKLZMC-UHFFFAOYSA-N 0 1 317.257 1.734 20 5 DDBDMN Cc1nn(C)cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534236 193266695 /nfs/dbraw/zinc/26/66/95/193266695.db2.gz BLVZKPAZVVMCHV-CYBMUJFWSA-N 0 1 316.365 1.718 20 5 DDBDMN C[C@@H]1NCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262751704 203398133 /nfs/dbraw/zinc/39/81/33/203398133.db2.gz GPAIWIQWHDEUCB-QWRGUYRKSA-N 0 1 313.379 1.107 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)N1 ZINC000566556179 304168268 /nfs/dbraw/zinc/16/82/68/304168268.db2.gz HGXFFWGZHHNRFE-RKDXNWHRSA-N 0 1 307.306 1.146 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(CC(F)(F)F)CC1 ZINC000338881689 250180483 /nfs/dbraw/zinc/18/04/83/250180483.db2.gz HRCHMSYJVMRFQJ-UHFFFAOYSA-N 0 1 319.283 1.980 20 5 DDBDMN CCN(CCC(=O)OC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000065670410 184376454 /nfs/dbraw/zinc/37/64/54/184376454.db2.gz WSBGAHFOXXMEMD-UHFFFAOYSA-N 0 1 309.322 1.079 20 5 DDBDMN CN(C)C1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000158335942 197263220 /nfs/dbraw/zinc/26/32/20/197263220.db2.gz VAEXNEQWEBEHGP-UHFFFAOYSA-N 0 1 318.377 1.581 20 5 DDBDMN CNC(=O)CCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155354134 197047068 /nfs/dbraw/zinc/04/70/68/197047068.db2.gz IPIWDDOHYMRRPW-LLVKDONJSA-N 0 1 322.365 1.380 20 5 DDBDMN COc1cccc(F)c1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120585445 195196503 /nfs/dbraw/zinc/19/65/03/195196503.db2.gz MIHUMPWJJZZMHB-SSDOTTSWSA-N 0 1 308.269 1.957 20 5 DDBDMN CCc1ccc(S(=O)(=O)NCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000569217214 304342397 /nfs/dbraw/zinc/34/23/97/304342397.db2.gz LMVDXDSWEIGXDC-UHFFFAOYSA-N 0 1 324.362 1.667 20 5 DDBDMN C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000569931021 304385017 /nfs/dbraw/zinc/38/50/17/304385017.db2.gz SCAHYJJBRIDXNA-JTQLQIEISA-N 0 1 320.349 1.609 20 5 DDBDMN CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000027643133 406912216 /nfs/dbraw/zinc/91/22/16/406912216.db2.gz SEBWFCNDSCDXBI-UHFFFAOYSA-N 0 1 304.306 1.722 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000123586437 407333441 /nfs/dbraw/zinc/33/34/41/407333441.db2.gz GTSBKSPBZLOTDS-ZCFIWIBFSA-N 0 1 308.298 1.489 20 5 DDBDMN CCO[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201650 407333874 /nfs/dbraw/zinc/33/38/74/407333874.db2.gz PUDNUEHNMVRGJY-QMMMGPOBSA-N 0 1 305.294 1.743 20 5 DDBDMN C[C@H](CN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000124529530 407361521 /nfs/dbraw/zinc/36/15/21/407361521.db2.gz GQMGYVQDLMDERY-SSDOTTSWSA-N 0 1 324.728 1.637 20 5 DDBDMN Cc1ccc([C@H](C)NCC(=O)NC2CCOCC2)cc1[N+](=O)[O-] ZINC000181832384 306700406 /nfs/dbraw/zinc/70/04/06/306700406.db2.gz ZODLZTVYKHNTOE-LBPRGKRZSA-N 0 1 321.377 1.849 20 5 DDBDMN C[C@@H](C(=O)N(C)Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185490385 407440319 /nfs/dbraw/zinc/44/03/19/407440319.db2.gz KMYKLSAIKHMKPZ-MRVPVSSYSA-N 0 1 307.285 1.614 20 5 DDBDMN COC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000114062618 407536620 /nfs/dbraw/zinc/53/66/20/407536620.db2.gz LVUMSQJTJSQXSU-QWRGUYRKSA-N 0 1 323.349 1.663 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 ZINC000170873784 407541812 /nfs/dbraw/zinc/54/18/12/407541812.db2.gz MXRDENORYNRMKN-GFCCVEGCSA-N 0 1 313.379 1.228 20 5 DDBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000114181335 407548871 /nfs/dbraw/zinc/54/88/71/407548871.db2.gz PXOOPHKBCNZGAM-UHFFFAOYSA-N 0 1 313.277 1.215 20 5 DDBDMN NC1(c2noc(CCNc3ccccc3[N+](=O)[O-])n2)CCC1 ZINC000261822378 407628866 /nfs/dbraw/zinc/62/88/66/407628866.db2.gz QODODWOBFHDBSG-UHFFFAOYSA-N 0 1 303.322 1.970 20 5 DDBDMN O=C(NCC[NH+]1CCSCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000230940034 407693037 /nfs/dbraw/zinc/69/30/37/407693037.db2.gz QRZMMTFERVWOPV-UHFFFAOYSA-N 0 1 311.363 1.079 20 5 DDBDMN CC[N@@H+](CC(=O)[O-])C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000186689192 407743507 /nfs/dbraw/zinc/74/35/07/407743507.db2.gz INVFDQDESIBUDX-UHFFFAOYSA-N 0 1 321.377 1.966 20 5 DDBDMN C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000262651891 407891198 /nfs/dbraw/zinc/89/11/98/407891198.db2.gz LJUCOUDSPYRQPZ-UHFFFAOYSA-N 0 1 305.290 1.809 20 5 DDBDMN Cc1c([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1C ZINC000272558507 407981751 /nfs/dbraw/zinc/98/17/51/407981751.db2.gz LMMGUZVSMUOPSL-QMMMGPOBSA-N 0 1 304.306 1.833 20 5 DDBDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272451949 407929546 /nfs/dbraw/zinc/92/95/46/407929546.db2.gz WKGSCORPBPTSNV-NOZJJQNGSA-N 0 1 305.334 1.513 20 5 DDBDMN CNC(=O)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000175004656 408028241 /nfs/dbraw/zinc/02/82/41/408028241.db2.gz LKSKPFHDUWGQQC-UHFFFAOYSA-N 0 1 321.377 1.822 20 5 DDBDMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119116980 407999813 /nfs/dbraw/zinc/99/98/13/407999813.db2.gz FDUKWTQWFXEZPA-GFCCVEGCSA-N 0 1 307.350 1.857 20 5 DDBDMN CN(Cc1cccnc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182250996 408106203 /nfs/dbraw/zinc/10/62/03/408106203.db2.gz VKRYPAIRIDIRFO-AWEZNQCLSA-N 0 1 317.345 1.862 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000246199783 408173958 /nfs/dbraw/zinc/17/39/58/408173958.db2.gz DYHKWJIOMZADAH-NXEZZACHSA-N 0 1 307.306 1.328 20 5 DDBDMN C[C@H]1CSCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000190451036 408247920 /nfs/dbraw/zinc/24/79/20/408247920.db2.gz QSXMNISTQQEOBK-SNVBAGLBSA-N 0 1 309.391 1.879 20 5 DDBDMN CCN(C)C(=O)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191551188 408445067 /nfs/dbraw/zinc/44/50/67/408445067.db2.gz KMNAEEQAMKVDIR-QMMMGPOBSA-N 0 1 319.321 1.068 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000183451712 408417295 /nfs/dbraw/zinc/41/72/95/408417295.db2.gz NNVMPMJBMYJWNI-SECBINFHSA-N 0 1 304.310 1.292 20 5 DDBDMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183560074 408440423 /nfs/dbraw/zinc/44/04/23/408440423.db2.gz ZSKUBMASTYDLDP-CYBMUJFWSA-N 0 1 307.354 1.794 20 5 DDBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270045769 408480958 /nfs/dbraw/zinc/48/09/58/408480958.db2.gz BLNUWMBCSQLXOE-AOOOYVTPSA-N 0 1 317.349 1.636 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000160853094 408529802 /nfs/dbraw/zinc/52/98/02/408529802.db2.gz ZWJLJSLNDFXJLZ-ABAIWWIYSA-N 0 1 321.377 1.933 20 5 DDBDMN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000191705759 408472151 /nfs/dbraw/zinc/47/21/51/408472151.db2.gz DKLXJJILJAMWGX-UHFFFAOYSA-N 0 1 308.338 1.039 20 5 DDBDMN CCC[C@@]1(C)C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275773374 408671845 /nfs/dbraw/zinc/67/18/45/408671845.db2.gz DQBZIHLRZHZNAK-HNNXBMFYSA-N 0 1 321.333 1.431 20 5 DDBDMN COC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000275978429 408738316 /nfs/dbraw/zinc/73/83/16/408738316.db2.gz LWWKKOXIZOCKBJ-TVQRCGJNSA-N 0 1 310.306 1.176 20 5 DDBDMN CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000285924742 408889555 /nfs/dbraw/zinc/88/95/55/408889555.db2.gz UPXWZPNTQUWKED-KGLIPLIRSA-N 0 1 323.324 1.279 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000277362746 408926842 /nfs/dbraw/zinc/92/68/42/408926842.db2.gz CJCZBOOHZVEHTQ-GFCCVEGCSA-N 0 1 307.350 1.770 20 5 DDBDMN CCOCC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277499295 408951767 /nfs/dbraw/zinc/95/17/67/408951767.db2.gz MGUYGYZACUAQEI-INIZCTEOSA-N 0 1 323.393 1.504 20 5 DDBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(OC)OC ZINC000277550222 408962484 /nfs/dbraw/zinc/96/24/84/408962484.db2.gz QZBQTBSVFASIBZ-JTQLQIEISA-N 0 1 322.321 1.598 20 5 DDBDMN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000281999007 408968878 /nfs/dbraw/zinc/96/88/78/408968878.db2.gz UDJBOBYHJDLXBC-JTQLQIEISA-N 0 1 300.384 1.964 20 5 DDBDMN Cc1[nH]ncc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000286488121 408989374 /nfs/dbraw/zinc/98/93/74/408989374.db2.gz CSDIAECMGSXNLE-UHFFFAOYSA-N 0 1 324.362 1.722 20 5 DDBDMN COc1ccc(CN2CCN(C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000282209813 409011523 /nfs/dbraw/zinc/01/15/23/409011523.db2.gz XWAPLHJJVKLTEZ-STQMWFEESA-N 0 1 323.393 1.490 20 5 DDBDMN CCOc1cc(CN[C@H]2C(=O)NCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000282308546 409031614 /nfs/dbraw/zinc/03/16/14/409031614.db2.gz KGNFGUIPEMCJKM-QMTHXVAHSA-N 0 1 307.350 1.608 20 5 DDBDMN COC(=O)c1cc(C)nc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000287850315 409103566 /nfs/dbraw/zinc/10/35/66/409103566.db2.gz RZGZFUFTDOIBIK-UHFFFAOYSA-N 0 1 320.349 1.759 20 5 DDBDMN CCc1nn(C)c(N2CCC[C@@H](c3n[nH]c(C)n3)C2)c1[N+](=O)[O-] ZINC000288907632 409195352 /nfs/dbraw/zinc/19/53/52/409195352.db2.gz OHZVHNBXUXNLMY-SNVBAGLBSA-N 0 1 319.369 1.701 20 5 DDBDMN CCc1nn(C)c(N2CCC[C@@H](c3nnc(C)[nH]3)C2)c1[N+](=O)[O-] ZINC000288907632 409195355 /nfs/dbraw/zinc/19/53/55/409195355.db2.gz OHZVHNBXUXNLMY-SNVBAGLBSA-N 0 1 319.369 1.701 20 5 DDBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1 ZINC000294008164 409224360 /nfs/dbraw/zinc/22/43/60/409224360.db2.gz XXFULAHAMASZFU-HNNXBMFYSA-N 0 1 304.350 1.345 20 5 DDBDMN O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295502652 409320839 /nfs/dbraw/zinc/32/08/39/409320839.db2.gz PIEMXRPWXIXDQC-CYBMUJFWSA-N 0 1 307.350 1.171 20 5 DDBDMN CC[C@@H](C)N1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000296006796 409398705 /nfs/dbraw/zinc/39/87/05/409398705.db2.gz NEQIUIFCMUETLR-GFCCVEGCSA-N 0 1 320.393 1.875 20 5 DDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+](C2CC2)C1 ZINC000295309095 409423976 /nfs/dbraw/zinc/42/39/76/409423976.db2.gz KDSJJKINSBGWRJ-NSHDSACASA-N 0 1 319.361 1.857 20 5 DDBDMN C[C@@H]1[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000357033728 164136827 /nfs/dbraw/zinc/13/68/27/164136827.db2.gz IAPOWWFQHOFVHW-NEPJUHHUSA-N 0 1 306.366 1.558 20 5 DDBDMN CCc1nc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000295443909 409484983 /nfs/dbraw/zinc/48/49/83/409484983.db2.gz AHJJDUSXDTWDDL-UHFFFAOYSA-N 0 1 319.321 1.361 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000408347151 164303857 /nfs/dbraw/zinc/30/38/57/164303857.db2.gz QJHYAJQYTHZGJQ-XPTSAGLGSA-N 0 1 324.337 1.036 20 5 DDBDMN Cc1nccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000342050841 409547359 /nfs/dbraw/zinc/54/73/59/409547359.db2.gz CUGYELOMPMDFCP-UHFFFAOYSA-N 0 1 312.289 1.500 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000331517956 409594218 /nfs/dbraw/zinc/59/42/18/409594218.db2.gz PRZILSNUAHKLHR-GUBZILKMSA-N 0 1 308.338 1.113 20 5 DDBDMN CC[C@@H](C)N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296841912 409663845 /nfs/dbraw/zinc/66/38/45/409663845.db2.gz HASPOACGLAGTJJ-CYBMUJFWSA-N 0 1 321.377 1.916 20 5 DDBDMN CC(C)(C)n1cnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000346064065 409751203 /nfs/dbraw/zinc/75/12/03/409751203.db2.gz JIZSPUQVEFCARC-UHFFFAOYSA-N 0 1 305.294 1.899 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([O-])ccc1[N+](=O)[O-] ZINC000318548090 409876947 /nfs/dbraw/zinc/87/69/47/409876947.db2.gz MPJSUNDKGTUYMH-OCCSQVGLSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@]1=O ZINC000332229830 409998419 /nfs/dbraw/zinc/99/84/19/409998419.db2.gz OAINHLYZAAOBRX-AOUSDQRYSA-N 0 1 312.347 1.284 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000342995765 410059768 /nfs/dbraw/zinc/05/97/68/410059768.db2.gz DYFLBRQCXKJKJJ-MRVPVSSYSA-N 0 1 321.312 1.834 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000343366946 410398682 /nfs/dbraw/zinc/39/86/82/410398682.db2.gz PMKXKTAHVAJELS-MRVPVSSYSA-N 0 1 319.321 1.911 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000343372081 410401192 /nfs/dbraw/zinc/40/11/92/410401192.db2.gz XGYJRVMVMFVIGF-VIFPVBQESA-N 0 1 318.337 1.701 20 5 DDBDMN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352130540 410501688 /nfs/dbraw/zinc/50/16/88/410501688.db2.gz ZLBMMFCWXHZDBI-LSDHHAIUSA-N 0 1 314.297 1.689 20 5 DDBDMN C[C@@H]1[C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@H+]1C ZINC000343497507 410494468 /nfs/dbraw/zinc/49/44/68/410494468.db2.gz DPTXECOQXSRXBH-ZWNOBZJWSA-N 0 1 317.349 2.539 20 5 DDBDMN C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000330453450 410701650 /nfs/dbraw/zinc/70/16/50/410701650.db2.gz LJAAOBOUSNOYJP-LRDDRELGSA-N 0 1 321.377 1.453 20 5 DDBDMN CC(C)C(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330430191 410686417 /nfs/dbraw/zinc/68/64/17/410686417.db2.gz MMHQYABXPWFDTC-UHFFFAOYSA-N 0 1 307.350 1.601 20 5 DDBDMN Cc1c(NC(=O)CCN(C)[C@@H]2CCNC2=O)cccc1[N+](=O)[O-] ZINC000340224262 410770301 /nfs/dbraw/zinc/77/03/01/410770301.db2.gz ZCBLSISZOAKEQP-CYBMUJFWSA-N 0 1 320.349 1.052 20 5 DDBDMN Cc1cc(C(=O)Nc2nc(SCCO)n[nH]2)cc([N+](=O)[O-])c1 ZINC000343899828 410794966 /nfs/dbraw/zinc/79/49/66/410794966.db2.gz RZTJISPFCZNYCY-UHFFFAOYSA-N 0 1 323.334 1.358 20 5 DDBDMN C[C@@H]1CN(C)[C@@H](C)CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330586576 410802287 /nfs/dbraw/zinc/80/22/87/410802287.db2.gz LSOFUORHDRJYCT-QWHCGFSZSA-N 0 1 320.393 1.582 20 5 DDBDMN CO[C@H](C)CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236582 410870909 /nfs/dbraw/zinc/87/09/09/410870909.db2.gz SWFCGUJCGKVMOR-BXUZGUMPSA-N 0 1 307.350 1.667 20 5 DDBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000331128941 410966501 /nfs/dbraw/zinc/96/65/01/410966501.db2.gz AHTKTKDSZSPSHO-MWLCHTKSSA-N 0 1 310.354 1.904 20 5 DDBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353404246 410967103 /nfs/dbraw/zinc/96/71/03/410967103.db2.gz NYPYSWRDUHLJKG-UHFFFAOYSA-N 0 1 304.241 1.263 20 5 DDBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465707 411045561 /nfs/dbraw/zinc/04/55/61/411045561.db2.gz YVFLXXRTUGBDRT-QWRGUYRKSA-N 0 1 309.370 1.179 20 5 DDBDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465703 411046678 /nfs/dbraw/zinc/04/66/78/411046678.db2.gz YVFLXXRTUGBDRT-GHMZBOCLSA-N 0 1 309.370 1.179 20 5 DDBDMN O=C(NCc1nnc(-c2ccncc2F)s1)[C@H]1CC1[N+](=O)[O-] ZINC000373714126 418450690 /nfs/dbraw/zinc/45/06/90/418450690.db2.gz SOWZQBGODSRTBE-CBAPKCEASA-N 0 1 323.309 1.021 20 5 DDBDMN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1cccnc1 ZINC000367157907 418565644 /nfs/dbraw/zinc/56/56/44/418565644.db2.gz GAKWQVOPMXQYJA-AAEUAGOBSA-N 0 1 319.390 2.551 20 5 DDBDMN Nc1ccc(N2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000367363029 418591147 /nfs/dbraw/zinc/59/11/47/418591147.db2.gz KLWLILNFUJFBJG-LBPRGKRZSA-N 0 1 306.366 1.336 20 5 DDBDMN Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375102105 418606114 /nfs/dbraw/zinc/60/61/14/418606114.db2.gz SAUZYTYIJFLUSV-LLVKDONJSA-N 0 1 320.349 1.314 20 5 DDBDMN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CC1[N+](=O)[O-] ZINC000367902326 418654391 /nfs/dbraw/zinc/65/43/91/418654391.db2.gz RFFWACIVIQDFIS-SOUVJXGZSA-N 0 1 316.357 1.862 20 5 DDBDMN COc1cc(CN(CCO)[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000361585428 418686389 /nfs/dbraw/zinc/68/63/89/418686389.db2.gz IIPOHVDRKVSNAG-DGCLKSJQSA-N 0 1 310.350 1.575 20 5 DDBDMN Cc1c(CC(=O)N2CC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425069870 228361777 /nfs/dbraw/zinc/36/17/77/228361777.db2.gz VTWNINRQUNHRBR-GFCCVEGCSA-N 0 1 315.333 1.580 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)N(C)C)C1 ZINC000411961882 419521657 /nfs/dbraw/zinc/52/16/57/419521657.db2.gz YLYPPLNVIYSGTJ-LBPRGKRZSA-N 0 1 321.377 1.904 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000428641782 419907107 /nfs/dbraw/zinc/90/71/07/419907107.db2.gz KCWAKWWVNWAPQA-RKDXNWHRSA-N 0 1 323.353 1.167 20 5 DDBDMN COc1ccc(OCCN2CCc3n[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000429307869 420001072 /nfs/dbraw/zinc/00/10/72/420001072.db2.gz KLGBDDZZDOEZNI-UHFFFAOYSA-N 0 1 319.321 1.159 20 5 DDBDMN CC[C@@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430225755 420092630 /nfs/dbraw/zinc/09/26/30/420092630.db2.gz MZPIIFKSWBMPHT-AWEZNQCLSA-N 0 1 323.393 1.492 20 5 DDBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000430228704 420092642 /nfs/dbraw/zinc/09/26/42/420092642.db2.gz DSGJRMCTSCUTRC-ZIAGYGMSSA-N 0 1 310.350 1.887 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(N)=O)CC[C@H]1C ZINC000430226210 420092946 /nfs/dbraw/zinc/09/29/46/420092946.db2.gz MSQGDHJVRYWODF-ZYHUDNBSSA-N 0 1 307.350 1.689 20 5 DDBDMN C[N@@H+](CCCC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000430653498 420171939 /nfs/dbraw/zinc/17/19/39/420171939.db2.gz LFWKLBKLSDXYHC-UHFFFAOYSA-N 0 1 320.305 1.941 20 5 DDBDMN Cc1nc(CN2CCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000301980478 230016362 /nfs/dbraw/zinc/01/63/62/230016362.db2.gz GMVQFKMTRRLSJD-UHFFFAOYSA-N 0 1 317.353 1.047 20 5 DDBDMN C[C@H](NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000492334609 420527176 /nfs/dbraw/zinc/52/71/76/420527176.db2.gz CAJRLHVKNDUEGL-WGAJWPLOSA-N 0 1 305.269 1.743 20 5 DDBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(C)n2)cnn1[C@H]1CCOC1 ZINC000450793431 420532043 /nfs/dbraw/zinc/53/20/43/420532043.db2.gz LVSILNVZABMIQU-JTQLQIEISA-N 0 1 304.310 1.903 20 5 DDBDMN O=C(N[C@H]1CCC[C@H]1CO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456800949 420548289 /nfs/dbraw/zinc/54/82/89/420548289.db2.gz OINQUFBJONNMDB-KWQFWETISA-N 0 1 304.306 1.362 20 5 DDBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nnnn1CC1CC1 ZINC000449246383 420975335 /nfs/dbraw/zinc/97/53/35/420975335.db2.gz BNLZJYDCSQFPEC-LLVKDONJSA-N 0 1 316.365 1.712 20 5 DDBDMN O=C(CC1(O)CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000449846048 421095336 /nfs/dbraw/zinc/09/53/36/421095336.db2.gz VETPAILJWPYAEW-UHFFFAOYSA-N 0 1 317.305 1.624 20 5 DDBDMN O=C([O-])C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514730076 421450239 /nfs/dbraw/zinc/45/02/39/421450239.db2.gz NSDQSXWQKZUUFU-AAEUAGOBSA-N 0 1 324.333 1.274 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000563665334 421533790 /nfs/dbraw/zinc/53/37/90/421533790.db2.gz DDKXGVLTBDEEOY-GFCCVEGCSA-N 0 1 320.393 1.948 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C)C(C)(C)C1 ZINC000563665334 421533793 /nfs/dbraw/zinc/53/37/93/421533793.db2.gz DDKXGVLTBDEEOY-GFCCVEGCSA-N 0 1 320.393 1.948 20 5 DDBDMN CCC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000345813722 272341609 /nfs/dbraw/zinc/34/16/09/272341609.db2.gz FJJHVWMOXAAPTF-SECBINFHSA-N 0 1 323.353 1.011 20 5 DDBDMN COCCN1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000301776639 274035619 /nfs/dbraw/zinc/03/56/19/274035619.db2.gz OOBINKIYQHFMOC-BETUJISGSA-N 0 1 308.382 1.844 20 5 DDBDMN CSC[C@@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000187735257 274177223 /nfs/dbraw/zinc/17/72/23/274177223.db2.gz HSGWRFNPFPBZIV-LBPRGKRZSA-N 0 1 311.407 1.441 20 5 DDBDMN C[C@@H](O)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190856888 274267021 /nfs/dbraw/zinc/26/70/21/274267021.db2.gz LQDZHFBZMBREHV-VHSXEESVSA-N 0 1 302.758 1.812 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCn3cnnc3[C@H]2C)c1[N+](=O)[O-] ZINC000276866359 278001082 /nfs/dbraw/zinc/00/10/82/278001082.db2.gz KTSZINJMAVAJJI-MRVPVSSYSA-N 0 1 319.325 1.250 20 5 DDBDMN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCN1CCCCC1 ZINC000130550810 281384734 /nfs/dbraw/zinc/38/47/34/281384734.db2.gz SVRGTOGRLIHWQI-UHFFFAOYSA-N 0 1 318.333 1.897 20 5 DDBDMN COC(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1C ZINC000356778625 298872338 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DDBDMN C[N@H+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC1(C)C ZINC000871156494 704233058 /nfs/dbraw/zinc/23/30/58/704233058.db2.gz CFPOLAREDCGHJV-UHFFFAOYSA-N 0 1 307.350 1.857 20 5 DDBDMN O=C(N[C@H](CCO)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000854620435 704428075 /nfs/dbraw/zinc/42/80/75/704428075.db2.gz SJBRVEKNURBZSO-SECBINFHSA-N 0 1 308.212 1.344 20 5 DDBDMN Cc1c(Cc2noc([C@H]3CNCCO3)n2)cccc1[N+](=O)[O-] ZINC000822861651 705063466 /nfs/dbraw/zinc/06/34/66/705063466.db2.gz DFFTWRZDZFSHPE-GFCCVEGCSA-N 0 1 304.306 1.538 20 5 DDBDMN COC(=O)c1c[nH]c2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc12 ZINC000862647940 705761773 /nfs/dbraw/zinc/76/17/73/705761773.db2.gz ZILPVTVCMKXFAM-BXKDBHETSA-N 0 1 303.274 1.558 20 5 DDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826713264 705854517 /nfs/dbraw/zinc/85/45/17/705854517.db2.gz RXJWEAVWBJVLOK-NSHDSACASA-N 0 1 324.356 1.100 20 5 DDBDMN CCn1nc(C)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000863451207 705933481 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C[N@H+]1CCC[C@@]2(CCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000563959957 421560814 /nfs/dbraw/zinc/56/08/14/421560814.db2.gz MJXTUXQRANZDEE-OAHLLOKOSA-N 0 1 320.349 1.610 20 5 DDBDMN Cc1[nH+]ccn1CCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565036108 421595470 /nfs/dbraw/zinc/59/54/70/421595470.db2.gz SSSCSSZDNSEXME-UHFFFAOYSA-N 0 1 319.321 2.085 20 5 DDBDMN O=C(NCc1noc(-c2cccs2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000556678123 421720610 /nfs/dbraw/zinc/72/06/10/421720610.db2.gz BLTCMESWJVOAPO-UHFFFAOYSA-N 0 1 320.290 1.359 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000534227811 421685914 /nfs/dbraw/zinc/68/59/14/421685914.db2.gz YWYFKBXUBNHRRR-VIFPVBQESA-N 0 1 318.337 1.836 20 5 DDBDMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000558756535 421824861 /nfs/dbraw/zinc/82/48/61/421824861.db2.gz GRAONBGMRCDRHV-QWHCGFSZSA-N 0 1 315.333 1.146 20 5 DDBDMN CC[C@H]1CN(C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000521300910 421780404 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DDBDMN CN1CCO[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000301658148 277131362 /nfs/dbraw/zinc/13/13/62/277131362.db2.gz LTIMTAYWLLBBPA-CABCVRRESA-N 0 1 314.345 1.662 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)N1 ZINC000429367434 288021730 /nfs/dbraw/zinc/02/17/30/288021730.db2.gz UCPJFMFJHCHBTR-NXEZZACHSA-N 0 1 321.333 1.188 20 5 DDBDMN C[C@@H]1OCC[C@@]12CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000407993774 279049687 /nfs/dbraw/zinc/04/96/87/279049687.db2.gz UCNOFHKRYXQAFA-XHDPSFHLSA-N 0 1 308.334 1.680 20 5 DDBDMN Cc1nc(CN2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000302033760 279083518 /nfs/dbraw/zinc/08/35/18/279083518.db2.gz DIYALEHJZPHGCK-UHFFFAOYSA-N 0 1 316.365 1.652 20 5 DDBDMN CCN1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C1=O ZINC000428718894 279350772 /nfs/dbraw/zinc/35/07/72/279350772.db2.gz GSMKUHVCIJCNDF-SECBINFHSA-N 0 1 323.353 1.134 20 5 DDBDMN CO[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128348305 281308328 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DDBDMN Cc1c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368976267 301115719 /nfs/dbraw/zinc/11/57/19/301115719.db2.gz VGECAVZOBQBKCJ-GUTXKFCHSA-N 0 1 303.362 1.989 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000368976929 301115991 /nfs/dbraw/zinc/11/59/91/301115991.db2.gz ZVOQIXYJCRFJCJ-ATGSNQNLSA-N 0 1 319.361 1.214 20 5 DDBDMN C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000377120119 302145483 /nfs/dbraw/zinc/14/54/83/302145483.db2.gz SPVQFOFLQYWQKY-DRZSPHRISA-N 0 1 300.318 1.715 20 5 DDBDMN CC(C)(C)OC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363389974 307026912 /nfs/dbraw/zinc/02/69/12/307026912.db2.gz PAPCAVKVYKKZFD-GHMZBOCLSA-N 0 1 313.354 1.121 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000371936616 307160548 /nfs/dbraw/zinc/16/05/48/307160548.db2.gz JAKKGKQNKXWDED-OCCSQVGLSA-N 0 1 302.330 1.700 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000372577447 307171388 /nfs/dbraw/zinc/17/13/88/307171388.db2.gz GEGIQFWDVNLFCL-RTXFEEFZSA-N 0 1 310.737 1.905 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000375774430 307230693 /nfs/dbraw/zinc/23/06/93/307230693.db2.gz OWPZEJWHDVBBQN-HUUCEWRRSA-N 0 1 309.341 1.769 20 5 DDBDMN O=C(C[C@H]1COCCN1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571883851 308205735 /nfs/dbraw/zinc/20/57/35/308205735.db2.gz GTFQQVNLGAMGQB-ZDUSSCGKSA-N 0 1 319.361 1.464 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](OC(C)C)C2)c1[N+](=O)[O-] ZINC000576638498 308328999 /nfs/dbraw/zinc/32/89/99/308328999.db2.gz FEJASAKYSKMNRF-SNVBAGLBSA-N 0 1 310.354 1.910 20 5 DDBDMN COc1cc(CN(C)[C@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433162281 533794483 /nfs/dbraw/zinc/79/44/83/533794483.db2.gz UEBRZSPUVKBCRH-CYBMUJFWSA-N 0 1 312.366 1.821 20 5 DDBDMN CCO[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451546095 527764180 /nfs/dbraw/zinc/76/41/80/527764180.db2.gz RUWREUVSSJMUOK-XHDPSFHLSA-N 0 1 321.377 1.941 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000330743874 527998687 /nfs/dbraw/zinc/99/86/87/527998687.db2.gz RMPZYERNEAHFQL-JTQLQIEISA-N 0 1 310.354 1.938 20 5 DDBDMN CCC[C@H](O)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000419818087 528328058 /nfs/dbraw/zinc/32/80/58/528328058.db2.gz LBKFVUBDRQMUDR-KBPBESRZSA-N 0 1 312.366 1.605 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000305814577 528544349 /nfs/dbraw/zinc/54/43/49/528544349.db2.gz NWLNXNPMLMUFFG-ZYHUDNBSSA-N 0 1 324.381 1.894 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1 ZINC000422825866 528610957 /nfs/dbraw/zinc/61/09/57/528610957.db2.gz QCTREZFQANRHQL-QWRGUYRKSA-N 0 1 307.350 1.816 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000490294145 528737503 /nfs/dbraw/zinc/73/75/03/528737503.db2.gz ZKUYPJUEFUNPMX-LBPRGKRZSA-N 0 1 308.338 1.108 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000490294145 528737509 /nfs/dbraw/zinc/73/75/09/528737509.db2.gz ZKUYPJUEFUNPMX-LBPRGKRZSA-N 0 1 308.338 1.108 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C(C)(C)O)c1[N+](=O)[O-] ZINC000332668689 535321340 /nfs/dbraw/zinc/32/13/40/535321340.db2.gz HOEJDULXEPLZRH-VIFPVBQESA-N 0 1 310.354 1.817 20 5 DDBDMN CCN(CC)C(=O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174860233 535470214 /nfs/dbraw/zinc/47/02/14/535470214.db2.gz NUVNTLBBUXAJDB-CYBMUJFWSA-N 0 1 309.370 1.124 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000739582807 600716688 /nfs/dbraw/zinc/71/66/88/600716688.db2.gz IBPNYXHKMZPQIG-JTQLQIEISA-N 0 1 304.306 1.699 20 5 DDBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000828023770 601929782 /nfs/dbraw/zinc/92/97/82/601929782.db2.gz AVXYGLNIYSHYIZ-OAHLLOKOSA-N 0 1 321.333 1.720 20 5 DDBDMN CN(C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739666110 602543396 /nfs/dbraw/zinc/54/33/96/602543396.db2.gz SCAZOSBWDHIIQZ-LBPRGKRZSA-N 0 1 323.349 1.905 20 5 DDBDMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000738911251 602671089 /nfs/dbraw/zinc/67/10/89/602671089.db2.gz RKDSABJQVCPSFO-SECBINFHSA-N 0 1 310.310 1.839 20 5 DDBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000833589347 604838841 /nfs/dbraw/zinc/83/88/41/604838841.db2.gz VMUCCUFFPCHBDN-ZJUUUORDSA-N 0 1 321.333 1.458 20 5 DDBDMN C[C@@H]1[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000833589347 604838843 /nfs/dbraw/zinc/83/88/43/604838843.db2.gz VMUCCUFFPCHBDN-ZJUUUORDSA-N 0 1 321.333 1.458 20 5 DDBDMN O=C([O-])N1CC[C@@H]([N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)C1 ZINC000834081342 605782048 /nfs/dbraw/zinc/78/20/48/605782048.db2.gz FXVGDXAHHDYEKV-LLVKDONJSA-N 0 1 309.326 1.008 20 5 DDBDMN C[NH2+]CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123018843 696727790 /nfs/dbraw/zinc/72/77/90/696727790.db2.gz BBNVYEMRAZGUEI-UHFFFAOYSA-N 0 1 307.759 1.136 20 5 DDBDMN O=C(NCCCc1nc[nH]n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000080590650 696535656 /nfs/dbraw/zinc/53/56/56/696535656.db2.gz ICLAKJKAJWWXBN-UHFFFAOYSA-N 0 1 309.713 1.729 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1 ZINC000123407910 696731585 /nfs/dbraw/zinc/73/15/85/696731585.db2.gz QJZWOQBMVWVFFF-VIFPVBQESA-N 0 1 317.342 1.154 20 5 DDBDMN CCC[NH2+]CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126842618 696765704 /nfs/dbraw/zinc/76/57/04/696765704.db2.gz FNUTWRBIKJLXNF-UHFFFAOYSA-N 0 1 305.331 1.012 20 5 DDBDMN O=C(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])OCc1ccccc1 ZINC000157691384 696980683 /nfs/dbraw/zinc/98/06/83/696980683.db2.gz QSGQGAWWGBVFGD-UHFFFAOYSA-N 0 1 318.289 1.181 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCC=CO3)CC2)cn1 ZINC000774836545 697933440 /nfs/dbraw/zinc/93/34/40/697933440.db2.gz SOWVLCVFVPDWDI-AWEZNQCLSA-N 0 1 304.350 1.805 20 5 DDBDMN Cc1nn(CN2CCN(C3CC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749949263 700193984 /nfs/dbraw/zinc/19/39/84/700193984.db2.gz NDIIEUYMLZIDJU-UHFFFAOYSA-N 0 1 316.365 1.385 20 5 DDBDMN CCN(Cc1cnn(C)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776273992 698091038 /nfs/dbraw/zinc/09/10/38/698091038.db2.gz AXGSRGHDSOMRKZ-OAHLLOKOSA-N 0 1 304.350 1.884 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@]23CCOC3=O)c1[N+](=O)[O-] ZINC000779253468 698406736 /nfs/dbraw/zinc/40/67/36/698406736.db2.gz NQSMFQUPRYLNIO-CQSZACIVSA-N 0 1 322.321 1.363 20 5 DDBDMN CON(C)C(=O)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000788010912 699266644 /nfs/dbraw/zinc/26/66/44/699266644.db2.gz SSMIMBSMIGVDIA-UHFFFAOYSA-N 0 1 322.365 1.127 20 5 DDBDMN CC1(C)CCC(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991288636 699292704 /nfs/dbraw/zinc/29/27/04/699292704.db2.gz SCOHLRIUCGTESZ-CHWSQXEVSA-N 0 1 323.393 1.195 20 5 DDBDMN COC(=O)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792872655 699720064 /nfs/dbraw/zinc/72/00/64/699720064.db2.gz PMYKBVCCMHWPQP-UHFFFAOYSA-N 0 1 311.294 1.934 20 5 DDBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000736310940 699723632 /nfs/dbraw/zinc/72/36/32/699723632.db2.gz ACFXBSGGDKJEAM-UHFFFAOYSA-N 0 1 315.757 1.889 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000738385073 699758327 /nfs/dbraw/zinc/75/83/27/699758327.db2.gz NXEPFGJGNITELG-UHFFFAOYSA-N 0 1 314.298 1.244 20 5 DDBDMN C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768848116 701209632 /nfs/dbraw/zinc/20/96/32/701209632.db2.gz SITRBELIUGCURY-VIFPVBQESA-N 0 1 319.408 1.276 20 5 DDBDMN C[C@H]1CCN(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768848116 701209634 /nfs/dbraw/zinc/20/96/34/701209634.db2.gz SITRBELIUGCURY-VIFPVBQESA-N 0 1 319.408 1.276 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[nH]1 ZINC000804814755 701214575 /nfs/dbraw/zinc/21/45/75/701214575.db2.gz IPKQVQKVRSOQKJ-QMMMGPOBSA-N 0 1 318.337 1.578 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000830908252 706600683 /nfs/dbraw/zinc/60/06/83/706600683.db2.gz ZGKLORAWHHIGBE-MRVPVSSYSA-N 0 1 320.284 1.267 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000839582706 701745095 /nfs/dbraw/zinc/74/50/95/701745095.db2.gz PBFUEAAKOLQAQN-ZWKOPEQDSA-N 0 1 319.317 1.486 20 5 DDBDMN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839686497 701783297 /nfs/dbraw/zinc/78/32/97/701783297.db2.gz YHFYRZONBSJGDV-MGPQQGTHSA-N 0 1 308.334 1.289 20 5 DDBDMN Cn1ccnc1C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839696672 701787750 /nfs/dbraw/zinc/78/77/50/701787750.db2.gz MSLKWNQDPPELAZ-HZSPNIEDSA-N 0 1 314.345 1.485 20 5 DDBDMN COC(=O)[C@@H](C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839701717 701790593 /nfs/dbraw/zinc/79/05/93/701790593.db2.gz ZJJOBGXBRAQMQF-SQNXGDPESA-N 0 1 306.318 1.318 20 5 DDBDMN O=C(NCC1CCN(CC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839731690 701801165 /nfs/dbraw/zinc/80/11/65/701801165.db2.gz VDZZJUOAGPTIGE-NXEZZACHSA-N 0 1 309.288 1.042 20 5 DDBDMN CC(C)N(CC(=O)N1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761504 701814447 /nfs/dbraw/zinc/81/44/47/701814447.db2.gz IPAJROVWEISFAQ-CHWSQXEVSA-N 0 1 311.382 1.291 20 5 DDBDMN CC[C@](CNC(=O)[C@@H]1CC1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000839938429 701871447 /nfs/dbraw/zinc/87/14/47/701871447.db2.gz BTPYOMMHTNSYLN-XJKCOSOUSA-N 0 1 320.345 1.289 20 5 DDBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812333335 702157453 /nfs/dbraw/zinc/15/74/53/702157453.db2.gz XPKDYKNHSVNQRR-PWSUYJOCSA-N 0 1 305.334 1.324 20 5 DDBDMN CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841152702 702367586 /nfs/dbraw/zinc/36/75/86/702367586.db2.gz LVSADKPVVYSCHT-HZSPNIEDSA-N 0 1 320.345 1.805 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)CC(F)(F)F)c1 ZINC000843086733 702816151 /nfs/dbraw/zinc/81/61/51/702816151.db2.gz HNMZODYMYLALTI-KOLCDFICSA-N 0 1 308.256 1.531 20 5 DDBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(Cc2nnc[nH]2)CC1 ZINC000845725015 703193897 /nfs/dbraw/zinc/19/38/97/703193897.db2.gz QPYNYVMZSBXCSZ-UHFFFAOYSA-N 0 1 322.756 1.689 20 5 DDBDMN Nc1ccc(N2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848795508 703590651 /nfs/dbraw/zinc/59/06/51/703590651.db2.gz INTLVECDPUBMMJ-CQSZACIVSA-N 0 1 320.393 1.868 20 5 DDBDMN [NH3+]C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000850590509 703738098 /nfs/dbraw/zinc/73/80/98/703738098.db2.gz MMOYUGCISZSDAX-UHFFFAOYSA-N 0 1 317.342 1.284 20 5 DDBDMN O=C(N[C@@H](CCO)c1ccc(Cl)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000869702707 703834735 /nfs/dbraw/zinc/83/47/35/703834735.db2.gz SZBJHJFQSPLDQH-JFUSQASVSA-N 0 1 316.716 1.684 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000818950876 704032602 /nfs/dbraw/zinc/03/26/02/704032602.db2.gz WXXQYSMLMGCERH-JTQLQIEISA-N 0 1 307.306 1.248 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000818950876 704032605 /nfs/dbraw/zinc/03/26/05/704032605.db2.gz WXXQYSMLMGCERH-JTQLQIEISA-N 0 1 307.306 1.248 20 5 DDBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000852583052 704081576 /nfs/dbraw/zinc/08/15/76/704081576.db2.gz PYQRMVNTVZJWOI-OLZOCXBDSA-N 0 1 307.306 1.896 20 5 DDBDMN Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000853825763 704322266 /nfs/dbraw/zinc/32/22/66/704322266.db2.gz UGQFWKHNIXQTKJ-UHFFFAOYSA-N 0 1 324.337 1.302 20 5 DDBDMN C[C@@]1([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000857768738 704623176 /nfs/dbraw/zinc/62/31/76/704623176.db2.gz XLFXMAKFXIOBDD-GFCCVEGCSA-N 0 1 315.276 1.435 20 5 DDBDMN CCn1ncc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000858444785 704712025 /nfs/dbraw/zinc/71/20/25/704712025.db2.gz RDYKDIZRJVWWFE-QWHCGFSZSA-N 0 1 319.369 1.676 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCCN3C)n1 ZINC000874827015 705185515 /nfs/dbraw/zinc/18/55/15/705185515.db2.gz AGNBGIWHFWJHRN-MNOVXSKESA-N 0 1 307.354 1.120 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCN1CCOCC1 ZINC000876680816 705816243 /nfs/dbraw/zinc/81/62/43/705816243.db2.gz JOEVMLOBAHTFQW-UHFFFAOYSA-N 0 1 307.394 1.976 20 5 DDBDMN CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829449527 706334973 /nfs/dbraw/zinc/33/49/73/706334973.db2.gz CEDNZBPSZOMRCU-RBSFLKMASA-N 0 1 303.362 1.909 20 5 DDBDMN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1nn[nH]n1 ZINC000829801810 706398461 /nfs/dbraw/zinc/39/84/61/706398461.db2.gz TWYCCFRCVSNATP-JTQLQIEISA-N 0 1 308.273 1.518 20 5 DDBDMN CC(=O)c1ccc(N2C[C@@H]3CCCN3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757692 707587351 /nfs/dbraw/zinc/58/73/51/707587351.db2.gz FNUAAPNAHQSWOG-UONOGXRCSA-N 0 1 319.361 1.443 20 5 DDBDMN CCc1nn(C)cc1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837613700 707696249 /nfs/dbraw/zinc/69/62/49/707696249.db2.gz QKXFSWFYTNRPKR-UHFFFAOYSA-N 0 1 305.290 1.953 20 5 DDBDMN CCN1CC[C@@H]1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000883893570 708077298 /nfs/dbraw/zinc/07/72/98/708077298.db2.gz NRNGQFXMOGTTDZ-CYBMUJFWSA-N 0 1 306.366 1.830 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(CF)CF)cc1F ZINC000885414314 708539033 /nfs/dbraw/zinc/53/90/33/708539033.db2.gz XCDQUIKMPJMPFC-UHFFFAOYSA-N 0 1 312.269 1.628 20 5 DDBDMN CO[C@@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCSC1 ZINC000885757251 708619590 /nfs/dbraw/zinc/61/95/90/708619590.db2.gz IASKXGBDCWXAOS-ZDUSSCGKSA-N 0 1 313.331 1.866 20 5 DDBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC(N2CCCC2)C1 ZINC000898614397 708813284 /nfs/dbraw/zinc/81/32/84/708813284.db2.gz RZSJELMOQRWGDY-UHFFFAOYSA-N 0 1 321.402 1.994 20 5 DDBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CC(N2CCCC2)C1 ZINC000898615719 708813698 /nfs/dbraw/zinc/81/36/98/708813698.db2.gz ATHFCQOSILUMAK-UHFFFAOYSA-N 0 1 305.334 1.280 20 5 DDBDMN CN1CCC[C@@H]1CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000892007844 710351746 /nfs/dbraw/zinc/35/17/46/710351746.db2.gz NMFSBDGZPSIMNM-LLVKDONJSA-N 0 1 316.361 1.953 20 5 DDBDMN COCC[C@@H]1CNCCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000904272217 711421249 /nfs/dbraw/zinc/42/12/49/711421249.db2.gz BEOBXHMBXRMYIP-CYBMUJFWSA-N 0 1 322.365 1.745 20 5 DDBDMN COc1c(O)ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000895455597 711516476 /nfs/dbraw/zinc/51/64/76/711516476.db2.gz CFMMLIRKVBKSCM-MEBBXXQBSA-N 0 1 310.350 1.759 20 5 DDBDMN COc1ccc2ncc([N+](=O)[O-])c(NC[C@H]3CCN3C)c2c1 ZINC000895768126 711600694 /nfs/dbraw/zinc/60/06/94/711600694.db2.gz WUCDQCWBOVWUCZ-SNVBAGLBSA-N 0 1 302.334 1.690 20 5 DDBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CN(C)CCN1C ZINC000896570058 711754978 /nfs/dbraw/zinc/75/49/78/711754978.db2.gz XCFKTFONGULAJX-IINYFYTJSA-N 0 1 324.356 1.098 20 5 DDBDMN O=C(NC12CCN(CC1)C2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000913632213 713272837 /nfs/dbraw/zinc/27/28/37/713272837.db2.gz UOPLLSLHRCOAAC-UHFFFAOYSA-N 0 1 312.329 1.721 20 5 DDBDMN O=C(OCc1cc(=O)n2ccsc2n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000920168745 713655323 /nfs/dbraw/zinc/65/53/23/713655323.db2.gz BKYMBZOZHVIVSS-UHFFFAOYSA-N 0 1 320.286 1.349 20 5 DDBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000921336894 713738327 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CCN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C1 ZINC000286392599 408976648 /nfs/dbraw/zinc/97/66/48/408976648.db2.gz HAZWBTDMWYBFJD-GFCCVEGCSA-N 0 1 321.377 1.987 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277926126 409036444 /nfs/dbraw/zinc/03/64/44/409036444.db2.gz HJITYOKZFJMPDL-LBPRGKRZSA-N 0 1 307.350 1.354 20 5 DDBDMN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000293540480 409134311 /nfs/dbraw/zinc/13/43/11/409134311.db2.gz XYVYYICFYUNISA-NSHDSACASA-N 0 1 307.350 1.187 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000279109759 409150772 /nfs/dbraw/zinc/15/07/72/409150772.db2.gz DWLMQEVPEZYZRT-SECBINFHSA-N 0 1 324.337 1.036 20 5 DDBDMN COC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000279591754 409242840 /nfs/dbraw/zinc/24/28/40/409242840.db2.gz WKRFMFMQVOOYLF-CHWSQXEVSA-N 0 1 310.306 1.224 20 5 DDBDMN CN1CCN(CCNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000280260655 409280876 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CCc1nc(COC(=O)Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000754853898 700533136 /nfs/dbraw/zinc/53/31/36/700533136.db2.gz QKSPAGOFFSPURX-UHFFFAOYSA-N 0 1 304.306 1.870 20 5 DDBDMN COC(=O)C=Cc1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000759635758 700763552 /nfs/dbraw/zinc/76/35/52/700763552.db2.gz AXYFDSWOABMQBK-HWKANZROSA-N 0 1 317.305 1.554 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076321 700840478 /nfs/dbraw/zinc/84/04/78/700840478.db2.gz NRRLOSOLCXRHFT-YPMHNXCESA-N 0 1 320.393 1.866 20 5 DDBDMN Cc1ccc(OC[C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000764021327 700958363 /nfs/dbraw/zinc/95/83/63/700958363.db2.gz ZAWXZHWYGFSOHK-JTQLQIEISA-N 0 1 304.306 1.824 20 5 DDBDMN CCS[C@H](C)c1noc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839708918 701792048 /nfs/dbraw/zinc/79/20/48/701792048.db2.gz ZAKHEJIMHSGVDA-IWSPIJDZSA-N 0 1 314.367 1.507 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCO)Cc1cccc(Cl)c1 ZINC000839727175 701800146 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CC(C)c1[nH]nc(C(=O)N2Cc3ccncc3C2)c1[N+](=O)[O-] ZINC000816580415 702117763 /nfs/dbraw/zinc/11/77/63/702117763.db2.gz FIBWQOJHPGGHIU-UHFFFAOYSA-N 0 1 301.306 1.992 20 5 DDBDMN Cc1nc([C@@H](C)OC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000840582530 702162459 /nfs/dbraw/zinc/16/24/59/702162459.db2.gz NOWGZMPNQMERGV-HQJQHLMTSA-N 0 1 306.278 1.359 20 5 DDBDMN COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1OC ZINC000840670583 702193945 /nfs/dbraw/zinc/19/39/45/702193945.db2.gz IHOOFTMVXDXKLV-FBIMIBRVSA-N 0 1 323.301 1.483 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000840672369 702196019 /nfs/dbraw/zinc/19/60/19/702196019.db2.gz KBYDOBIYYHAIFD-DVWMECQTSA-N 0 1 312.366 1.524 20 5 DDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000840672710 702197142 /nfs/dbraw/zinc/19/71/42/702197142.db2.gz OTJOGIJHWKMKDT-FVCCEPFGSA-N 0 1 310.350 1.376 20 5 DDBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(OC)cc1 ZINC000840672531 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O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccc(CO)n2)cc1 ZINC000843111210 702820957 /nfs/dbraw/zinc/82/09/57/702820957.db2.gz FBMBCPWSMHHJDV-HNNXBMFYSA-N 0 1 303.318 1.305 20 5 DDBDMN CCc1cc(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])n[nH]1 ZINC000847485845 703425776 /nfs/dbraw/zinc/42/57/76/703425776.db2.gz KBTUYXMTOLZVPM-UHFFFAOYSA-N 0 1 304.310 1.247 20 5 DDBDMN COC(=O)N(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000850545329 703735918 /nfs/dbraw/zinc/73/59/18/703735918.db2.gz BFGDJHFJKPCCCA-SNVBAGLBSA-N 0 1 311.338 1.952 20 5 DDBDMN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000831792003 706781203 /nfs/dbraw/zinc/78/12/03/706781203.db2.gz XWHQOWSUYRKTSQ-TXEJJXNPSA-N 0 1 311.357 1.621 20 5 DDBDMN O=C1OCCN1[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852436526 704047957 /nfs/dbraw/zinc/04/79/57/704047957.db2.gz INPYGQXUUOINRZ-KGLIPLIRSA-N 0 1 321.333 1.155 20 5 DDBDMN CN(C)c1cccnc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819322508 704107484 /nfs/dbraw/zinc/10/74/84/704107484.db2.gz 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ZINC000863322441 705900832 /nfs/dbraw/zinc/90/08/32/705900832.db2.gz VOZAAMIGDRFXOF-SECBINFHSA-N 0 1 313.741 1.045 20 5 DDBDMN O=C1[C@@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C1CCC1 ZINC000863590170 705965449 /nfs/dbraw/zinc/96/54/49/705965449.db2.gz FFMSRUMXRBKZLE-LSDHHAIUSA-N 0 1 319.361 1.371 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425117 706177055 /nfs/dbraw/zinc/17/70/55/706177055.db2.gz XMOFXJSXVYMTOK-GBIKHYSHSA-N 0 1 321.333 1.574 20 5 DDBDMN C[C@H](NC[C@H]1CN(C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036704 707284249 /nfs/dbraw/zinc/28/42/49/707284249.db2.gz VKXWGKMFSIKDOI-RYUDHWBXSA-N 0 1 310.373 1.630 20 5 DDBDMN CC[C@@H](C)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000837006304 707563325 /nfs/dbraw/zinc/56/33/25/707563325.db2.gz DCSRDGNOUXDCDR-DOMZBBRYSA-N 0 1 321.377 1.571 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000882480312 707650322 /nfs/dbraw/zinc/65/03/22/707650322.db2.gz PWFVRBAXXPUEMC-JTQLQIEISA-N 0 1 321.333 1.190 20 5 DDBDMN Cc1c(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873136611 707745330 /nfs/dbraw/zinc/74/53/30/707745330.db2.gz FLPLYUXXTAFIHI-GWCFXTLKSA-N 0 1 312.391 1.959 20 5 DDBDMN CCN1C[C@@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])Oc2ccccc21 ZINC000839471020 708050427 /nfs/dbraw/zinc/05/04/27/708050427.db2.gz BBCCMERGBBIIHZ-YRGRVCCFSA-N 0 1 319.361 1.398 20 5 DDBDMN Cc1c(CN2CCC(O)(COCCO)CC2)cccc1[N+](=O)[O-] ZINC000886738820 708830326 /nfs/dbraw/zinc/83/03/26/708830326.db2.gz GLTQGEUMLSSVKL-UHFFFAOYSA-N 0 1 324.377 1.239 20 5 DDBDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901587118 710085760 /nfs/dbraw/zinc/08/57/60/710085760.db2.gz LFMPISCDLCVCNV-UHFFFAOYSA-N 0 1 302.714 1.781 20 5 DDBDMN COc1ccnc(N2CCN(c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000892341641 710420266 /nfs/dbraw/zinc/42/02/66/710420266.db2.gz YKUVBSKEJCIQJK-UHFFFAOYSA-N 0 1 318.337 1.059 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438955 713196607 /nfs/dbraw/zinc/19/66/07/713196607.db2.gz VFZNLKJHLJPXBT-WDEREUQCSA-N 0 1 307.350 1.816 20 5 DDBDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000911799178 710998227 /nfs/dbraw/zinc/99/82/27/710998227.db2.gz FXWIXTQUJHXBHL-IDTSFGKNSA-N 0 1 303.362 1.907 20 5 DDBDMN COc1cc([C@@H](C)N[C@H]2CCCCNC2=O)cc([N+](=O)[O-])c1 ZINC000903064556 711021574 /nfs/dbraw/zinc/02/15/74/711021574.db2.gz CLTVAILCAGIPNN-YGRLFVJLSA-N 0 1 307.350 1.923 20 5 DDBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(N2CCCC2)C1 ZINC000912320428 711277308 /nfs/dbraw/zinc/27/73/08/711277308.db2.gz ASTAKGTYZJWVRW-UHFFFAOYSA-N 0 1 307.325 1.963 20 5 DDBDMN O=[N+]([O-])CCN[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000905120082 711942356 /nfs/dbraw/zinc/94/23/56/711942356.db2.gz SWEKXGWGFBRKRG-SNVBAGLBSA-N 0 1 301.293 1.733 20 5 DDBDMN C[C@@H]1C[NH2+]C[C@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000905291866 711995093 /nfs/dbraw/zinc/99/50/93/711995093.db2.gz WREMIQAODJRHJE-LDYMZIIASA-N 0 1 315.276 1.291 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CN(C)C3)C2)c1C ZINC000907764464 712623499 /nfs/dbraw/zinc/62/34/99/712623499.db2.gz TZNYZRBXKVODAO-UHFFFAOYSA-N 0 1 303.362 1.989 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000922164754 713980137 /nfs/dbraw/zinc/98/01/37/713980137.db2.gz RHRWMDDCHAYKRJ-ZDUSSCGKSA-N 0 1 321.377 1.883 20 5 DDBDMN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000923306460 714305380 /nfs/dbraw/zinc/30/53/80/714305380.db2.gz MKUYRIKLTZGFFB-NWDGAFQWSA-N 0 1 305.334 1.609 20 5 DDBDMN CCC(CC)C(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940315572 716728829 /nfs/dbraw/zinc/72/88/29/716728829.db2.gz SVDNSNUNSRCTSO-CHWSQXEVSA-N 0 1 311.382 1.149 20 5 DDBDMN O=C(C=C1CCC1)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943671472 718172126 /nfs/dbraw/zinc/17/21/26/718172126.db2.gz BAPMNEMYPRTTLD-AAVRWANBSA-N 0 1 321.377 1.306 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)=C2CCC2)C1 ZINC000967950337 719101347 /nfs/dbraw/zinc/10/13/47/719101347.db2.gz RSVFOMUHFYYJLY-ZIAGYGMSSA-N 0 1 321.377 1.211 20 5 DDBDMN O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001533 719918890 /nfs/dbraw/zinc/91/88/90/719918890.db2.gz PAOISSSDZKFTEW-XJFOESAGSA-N 0 1 321.377 1.044 20 5 DDBDMN CN(C(=O)C1CCCCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953870097 721672350 /nfs/dbraw/zinc/67/23/50/721672350.db2.gz NCSZYQCZGVOGQO-ZIAGYGMSSA-N 0 1 323.393 1.291 20 5 DDBDMN Cc1cscc1C(=O)N(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000953996127 721688962 /nfs/dbraw/zinc/68/89/62/721688962.db2.gz NWIGPRCMKFCBBQ-ZYHUDNBSSA-N 0 1 323.374 1.005 20 5 DDBDMN Cc1[nH]ccc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125430027 733311220 /nfs/dbraw/zinc/31/12/20/733311220.db2.gz SPAACNOSBWNJMT-UHFFFAOYSA-N 0 1 308.363 1.812 20 5 DDBDMN CCOC(=O)C1CO[C@H](C)C1=Nc1nccc(OC)c1[N+](=O)[O-] ZINC001168157264 741658132 /nfs/dbraw/zinc/65/81/32/741658132.db2.gz HVAYMQBEGUSRCG-MRVPVSSYSA-N 0 1 323.305 1.646 20 5 DDBDMN CCOC(=O)C1CO[C@H](C)C1=Nc1nc(C)ccc1[N+](=O)[O-] ZINC001168161688 741669869 /nfs/dbraw/zinc/66/98/69/741669869.db2.gz GMRQMHPXPBGZTQ-SECBINFHSA-N 0 1 307.306 1.946 20 5 DDBDMN CCn1nc(C)c(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001182509066 743650825 /nfs/dbraw/zinc/65/08/25/743650825.db2.gz QVTYZFJFIRLOJC-UHFFFAOYSA-N 0 1 305.342 1.204 20 5 DDBDMN O=C(NCC=CCNc1ccc(F)cc1[N+](=O)[O-])c1cnn[nH]1 ZINC001107585453 750189573 /nfs/dbraw/zinc/18/95/73/750189573.db2.gz WKUUKXHIBWDLQG-UPHRSURJSA-N 0 1 320.284 1.250 20 5 DDBDMN CC(=O)NCCN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001111309114 750443600 /nfs/dbraw/zinc/44/36/00/750443600.db2.gz DZMNSELGHAGHJX-UHFFFAOYSA-N 0 1 321.381 1.311 20 5 DDBDMN CC/C=C(/C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001066956923 753247252 /nfs/dbraw/zinc/24/72/52/753247252.db2.gz ZYORVTYDXSYNPX-CUOXCHRPSA-N 0 1 311.382 1.315 20 5 DDBDMN C/C=C(/C)C(=O)N1CCC(CC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069288464 767954716 /nfs/dbraw/zinc/95/47/16/767954716.db2.gz UUYMNMKAFSMYHA-ZYFYVMIWSA-N 0 1 323.393 1.505 20 5 DDBDMN Cc1cnn(C)c1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001132548527 768974881 /nfs/dbraw/zinc/97/48/81/768974881.db2.gz NYMHJCSFYNFMSZ-UHFFFAOYSA-N 0 1 317.349 1.156 20 5 DDBDMN Cc1c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])ccn1C ZINC001133491794 769894051 /nfs/dbraw/zinc/89/40/51/769894051.db2.gz HXZIOIXICKFTHL-UHFFFAOYSA-N 0 1 316.361 1.761 20 5 DDBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136188306 771911819 /nfs/dbraw/zinc/91/18/19/771911819.db2.gz CZYACBLDMMWENW-UHFFFAOYSA-N 0 1 303.322 1.571 20 5 DDBDMN Cc1n[nH]c(C(=O)NCCNc2ccc([N+](=O)[O-])c(C)n2)c1C ZINC001093536464 774791573 /nfs/dbraw/zinc/79/15/73/774791573.db2.gz YXHXTCBEXKCIHE-UHFFFAOYSA-N 0 1 318.337 1.480 20 5 DDBDMN Cc1ccc(NCCNC(=O)c2[nH]ncc2F)c([N+](=O)[O-])c1 ZINC001094103558 775478097 /nfs/dbraw/zinc/47/80/97/775478097.db2.gz AANLULJUHQFUGN-UHFFFAOYSA-N 0 1 307.285 1.607 20 5 DDBDMN C[C@](CO)(NC(=O)CCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001171460653 776288908 /nfs/dbraw/zinc/28/89/08/776288908.db2.gz FFKKSVIDGUZBEK-OAHLLOKOSA-N 0 1 318.333 1.274 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2COC(=O)C2)c1F ZINC001173188917 777036460 /nfs/dbraw/zinc/03/64/60/777036460.db2.gz MFNQWCGBCPMUBP-RKDXNWHRSA-N 0 1 312.297 1.579 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2COC[C@@H]2F)c1F ZINC001173187142 777036572 /nfs/dbraw/zinc/03/65/72/777036572.db2.gz XUPKRHOUANDFQD-MIMYLULJSA-N 0 1 316.304 2.000 20 5 DDBDMN CN(CCNc1cccc(F)c1[N+](=O)[O-])C(=O)Cc1c[nH]cn1 ZINC001101976085 777756906 /nfs/dbraw/zinc/75/69/06/777756906.db2.gz ZWCUHWVJKNOCRX-UHFFFAOYSA-N 0 1 321.312 1.570 20 5 DDBDMN Cc1cc(F)cc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c1[N+](=O)[O-] ZINC001175563932 777841724 /nfs/dbraw/zinc/84/17/24/777841724.db2.gz XFCQFQZSPPIBPN-MRVPVSSYSA-N 0 1 320.284 1.185 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001177001149 778383196 /nfs/dbraw/zinc/38/31/96/778383196.db2.gz CHFXVJQDZKZOMR-OAHLLOKOSA-N 0 1 306.318 1.742 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CCOC2=O)C1 ZINC001177001149 778383201 /nfs/dbraw/zinc/38/32/01/778383201.db2.gz CHFXVJQDZKZOMR-OAHLLOKOSA-N 0 1 306.318 1.742 20 5 DDBDMN COC(=O)[C@H](N)C1CCN(c2ncc([N+](=O)[O-])c(C)c2C)CC1 ZINC001155159857 861788985 /nfs/dbraw/zinc/78/89/85/861788985.db2.gz NXUOIGPDIXESHI-CYBMUJFWSA-N 0 1 322.365 1.323 20 5 DDBDMN CCc1ccc(C(=O)Nc2[nH]cnc2C(=O)OC)cc1[N+](=O)[O-] ZINC001128947561 848480457 /nfs/dbraw/zinc/48/04/57/848480457.db2.gz XLIUYDCYZVYXNY-UHFFFAOYSA-N 0 1 318.289 1.919 20 5 DDBDMN CC/C(C)=C\C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073005164 857989399 /nfs/dbraw/zinc/98/93/99/857989399.db2.gz UCXDWVBROAVPEE-BFMCYROOSA-N 0 1 323.393 1.505 20 5 DDBDMN Cc1cc(OCC(=O)NCCN2CC=CC2)ccc1[N+](=O)[O-] ZINC001321112701 867329127 /nfs/dbraw/zinc/32/91/27/867329127.db2.gz YQYFEKFMELUJSF-UHFFFAOYSA-N 0 1 305.334 1.270 20 5 DDBDMN Cc1c(F)cc([N+](=O)[O-])cc1NCc1nnc2n1CCCNC2 ZINC001163027185 868016240 /nfs/dbraw/zinc/01/62/40/868016240.db2.gz JHNZBFGFNGMFJT-UHFFFAOYSA-N 0 1 320.328 1.739 20 5 DDBDMN CC(C)(C)N1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC001336047336 868698903 /nfs/dbraw/zinc/69/89/03/868698903.db2.gz BVRWTUOMJMGFPQ-KGLIPLIRSA-N 0 1 321.377 1.617 20 5 DDBDMN COC(=O)Cc1ccc(O[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001226213697 882282849 /nfs/dbraw/zinc/28/28/49/882282849.db2.gz FTWKUEIRTOLYTK-GFCCVEGCSA-N 0 1 308.334 1.783 20 5 DDBDMN COc1cccc(N[C@@H](C)[C@@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC001338084762 869791040 /nfs/dbraw/zinc/79/10/40/869791040.db2.gz SFRITYOSQOMIAC-AAEUAGOBSA-N 0 1 308.382 1.650 20 5 DDBDMN CCCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001298069252 870269292 /nfs/dbraw/zinc/26/92/92/870269292.db2.gz DPECXFWRMKNNAE-VXGBXAGGSA-N 0 1 311.382 1.149 20 5 DDBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3C[C@@H]3F)c2)CC1 ZINC001340880125 871408327 /nfs/dbraw/zinc/40/83/27/871408327.db2.gz DHFLEJQMWDNEQQ-RYUDHWBXSA-N 0 1 322.340 1.643 20 5 DDBDMN COCC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001342235882 872093849 /nfs/dbraw/zinc/09/38/49/872093849.db2.gz BZULWCGUKDKRBJ-LBPRGKRZSA-N 0 1 323.349 1.054 20 5 DDBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001346256634 873670000 /nfs/dbraw/zinc/67/00/00/873670000.db2.gz UBPMNRRCNCRFQT-SNVBAGLBSA-N 0 1 322.243 1.130 20 5 DDBDMN COc1ccnc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC001346289598 873686534 /nfs/dbraw/zinc/68/65/34/873686534.db2.gz WCKLYJQDKITCHV-HNNXBMFYSA-N 0 1 303.318 1.822 20 5 DDBDMN CCN(CCCNC(=O)C1(C)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001352291237 876681120 /nfs/dbraw/zinc/68/11/20/876681120.db2.gz YHTBSXOTORVVPE-VXGBXAGGSA-N 0 1 311.382 1.197 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001216480422 876955245 /nfs/dbraw/zinc/95/52/45/876955245.db2.gz OOXXHZJHZFUMOH-ZYHUDNBSSA-N 0 1 319.365 1.324 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](OCc2nn[nH]n2)C(F)(F)F)cc1 ZINC001223026795 880787812 /nfs/dbraw/zinc/78/78/12/880787812.db2.gz ITHAOQMYHLBRFV-SECBINFHSA-N 0 1 303.200 1.928 20 5 DDBDMN COC(=O)C[C@@H](C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228240602 883402408 /nfs/dbraw/zinc/40/24/08/883402408.db2.gz QUEKQEBVJMDKFW-SSDOTTSWSA-N 0 1 307.262 1.574 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCOC[C@@H]2F)cc1O ZINC001228813879 883685052 /nfs/dbraw/zinc/68/50/52/883685052.db2.gz IEXRSTKJDDPPAO-GZMMTYOYSA-N 0 1 315.253 1.593 20 5 DDBDMN COc1cc(=O)[nH]c(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])n1 ZINC001228917198 883729296 /nfs/dbraw/zinc/72/92/96/883729296.db2.gz APXLFENFVJFCEX-ZETCQYMHSA-N 0 1 309.282 1.071 20 5 DDBDMN CC(C)N(CCN(C)C(=O)/C=C/C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001288166910 912764235 /nfs/dbraw/zinc/76/42/35/912764235.db2.gz GXUPDXABRFMWMG-JLVOYYQZSA-N 0 1 323.393 1.313 20 5 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COc1cccc(N2CC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185484112 199858171 /nfs/dbraw/zinc/85/81/71/199858171.db2.gz JCCKSUFQHNNKRM-ZDUSSCGKSA-N 0 1 321.377 1.762 20 5 DDBDMN CC(=O)c1cc(NC[C@@H](C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000287655289 219656607 /nfs/dbraw/zinc/65/66/07/219656607.db2.gz CFXBLJXPKNNOLR-GFCCVEGCSA-N 0 1 320.393 1.845 20 5 DDBDMN C[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1 ZINC000602434381 358973960 /nfs/dbraw/zinc/97/39/60/358973960.db2.gz QFIQYAXUMJAPRC-GFCCVEGCSA-N 0 1 303.362 1.837 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CCO)c1ccccc1F ZINC000602852269 359238732 /nfs/dbraw/zinc/23/87/32/359238732.db2.gz ORHNIAQDCSAZNA-CQSZACIVSA-N 0 1 322.340 1.952 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCc2cc[nH]c(=O)c2C1 ZINC000602820461 359214107 /nfs/dbraw/zinc/21/41/07/359214107.db2.gz LUEIOHQJOPYTEK-UHFFFAOYSA-N 0 1 303.322 1.259 20 5 DDBDMN CNC(C)(C)c1cn(Cc2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000603206878 359480831 /nfs/dbraw/zinc/48/08/31/359480831.db2.gz XPMRKDWCANRGJJ-UHFFFAOYSA-N 0 1 305.338 1.698 20 5 DDBDMN CNC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000281133972 216101017 /nfs/dbraw/zinc/10/10/17/216101017.db2.gz NSJKTCUDDJCMLO-AWEZNQCLSA-N 0 1 322.321 1.461 20 5 DDBDMN CCN1CCN([C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000609288431 360288308 /nfs/dbraw/zinc/28/83/08/360288308.db2.gz VLCXAFPNVGXEMP-GFCCVEGCSA-N 0 1 310.423 1.873 20 5 DDBDMN CC(C)N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611253860 360680956 /nfs/dbraw/zinc/68/09/56/360680956.db2.gz GZQOVIKNONLQTF-UHFFFAOYSA-N 0 1 321.377 1.892 20 5 DDBDMN CN(C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccco1 ZINC000611525048 360747164 /nfs/dbraw/zinc/74/71/64/360747164.db2.gz GKMIHGAJLGWUEF-ZDUSSCGKSA-N 0 1 320.349 1.977 20 5 DDBDMN C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611508318 360741149 /nfs/dbraw/zinc/74/11/49/360741149.db2.gz AWEPPPPWEGRUPC-MWLCHTKSSA-N 0 1 304.306 1.212 20 5 DDBDMN Cc1cc(NCCCN2CCC[C@@H]2C(N)=O)c(F)cc1[N+](=O)[O-] ZINC000292689339 223202620 /nfs/dbraw/zinc/20/26/20/223202620.db2.gz RKWLPQWSIPODIZ-CYBMUJFWSA-N 0 1 324.356 1.794 20 5 DDBDMN Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713161 223213411 /nfs/dbraw/zinc/21/34/11/223213411.db2.gz SVHQUAJLFACGAS-RYUDHWBXSA-N 0 1 311.357 1.934 20 5 DDBDMN COc1cc(C(=O)NCc2cnc[nH]2)cc([N+](=O)[O-])c1OC ZINC000359136816 299336688 /nfs/dbraw/zinc/33/66/88/299336688.db2.gz SMJFMVIUPNJZRX-UHFFFAOYSA-N 0 1 306.278 1.265 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1nn[nH]n1 ZINC000619153787 363917119 /nfs/dbraw/zinc/91/71/19/363917119.db2.gz IQLVXQXDBOBXPN-UHFFFAOYSA-N 0 1 312.673 1.160 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(CCO3)CC2)c1[N+](=O)[O-] ZINC000619732217 364135273 /nfs/dbraw/zinc/13/52/73/364135273.db2.gz UTPCXPOAWGORKH-UHFFFAOYSA-N 0 1 308.338 1.836 20 5 DDBDMN Cc1c(C(=O)NC[C@H]2CN3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873382 364170569 /nfs/dbraw/zinc/17/05/69/364170569.db2.gz IIIDYFHGYCPEHA-ZDUSSCGKSA-N 0 1 318.377 1.023 20 5 DDBDMN CCCCN(CCCO)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000271817523 209240542 /nfs/dbraw/zinc/24/05/42/209240542.db2.gz ZJMUFARPGQAIJA-UHFFFAOYSA-N 0 1 312.370 1.895 20 5 DDBDMN CN(Cc1ncon1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000349723710 284030836 /nfs/dbraw/zinc/03/08/36/284030836.db2.gz PPPTWUPFXWKMEW-UHFFFAOYSA-N 0 1 302.250 1.126 20 5 DDBDMN C[C@@H]1CCCC[N@H+]1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566295113 304140474 /nfs/dbraw/zinc/14/04/74/304140474.db2.gz RJMQNNFKYQRSPB-SNVBAGLBSA-N 0 1 308.338 1.974 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(CC(C)(C)O)C2CC2)c1[N+](=O)[O-] ZINC000275155289 212155154 /nfs/dbraw/zinc/15/51/54/212155154.db2.gz VLSZUHIVJDQUCK-UHFFFAOYSA-N 0 1 310.354 1.817 20 5 DDBDMN CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288397142 220132425 /nfs/dbraw/zinc/13/24/25/220132425.db2.gz LANCHZNUJLCTMQ-GFCCVEGCSA-N 0 1 307.350 1.526 20 5 DDBDMN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159905606 197372542 /nfs/dbraw/zinc/37/25/42/197372542.db2.gz DVUBPHDDMKYJIN-NSHDSACASA-N 0 1 315.333 1.574 20 5 DDBDMN CCN(CC)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000023380604 182359514 /nfs/dbraw/zinc/35/95/14/182359514.db2.gz SBIIHTOKAYRVJQ-UHFFFAOYSA-N 0 1 315.395 1.752 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)n1 ZINC000336858942 249266602 /nfs/dbraw/zinc/26/66/02/249266602.db2.gz CYOFCGGTDQOVNZ-VIFPVBQESA-N 0 1 306.322 1.425 20 5 DDBDMN O=C(NC1CC1)N[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000274031423 211290052 /nfs/dbraw/zinc/29/00/52/211290052.db2.gz QLQDDFJCJZDPDN-CQSZACIVSA-N 0 1 318.377 1.673 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000338768498 250129081 /nfs/dbraw/zinc/12/90/81/250129081.db2.gz JUXPKQSDGPYNGK-JTQLQIEISA-N 0 1 304.310 1.300 20 5 DDBDMN CCCc1n[nH]c(C(=O)N2CCCN(CC)CC2)c1[N+](=O)[O-] ZINC000159523860 197360579 /nfs/dbraw/zinc/36/05/79/197360579.db2.gz ODAYTMWOGXFRQL-UHFFFAOYSA-N 0 1 309.370 1.438 20 5 DDBDMN CCOCCN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105831140 194139965 /nfs/dbraw/zinc/13/99/65/194139965.db2.gz HUIBWYJSCUKNML-UHFFFAOYSA-N 0 1 323.393 1.628 20 5 DDBDMN CCn1cc(S(=O)(=O)NCCC(F)(F)F)c([N+](=O)[O-])n1 ZINC000339048778 250269957 /nfs/dbraw/zinc/26/99/57/250269957.db2.gz XLOYNYSJORUNGK-UHFFFAOYSA-N 0 1 316.261 1.042 20 5 DDBDMN CC(C)[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nncn1C ZINC000339189386 250336519 /nfs/dbraw/zinc/33/65/19/250336519.db2.gz OFNBLPSTCARLEO-ZDUSSCGKSA-N 0 1 305.338 1.916 20 5 DDBDMN Cc1nn(C)c(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1[N+](=O)[O-] ZINC000110699283 194351468 /nfs/dbraw/zinc/35/14/68/194351468.db2.gz PVIYVKAFMKZNNM-UHFFFAOYSA-N 0 1 317.265 1.267 20 5 DDBDMN O=[N+]([O-])c1cc(F)c(CN[C@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411988708 223939605 /nfs/dbraw/zinc/93/96/05/223939605.db2.gz OOMXEJYCTQPAQI-YMTOWFKASA-N 0 1 316.304 1.750 20 5 DDBDMN CC(C)(C(=O)NCCc1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000340764114 251199481 /nfs/dbraw/zinc/19/94/81/251199481.db2.gz CCXHLIUECRRGIQ-UHFFFAOYSA-N 0 1 303.322 1.349 20 5 DDBDMN O=C([O-])[C@H]1CSCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000579614344 422803817 /nfs/dbraw/zinc/80/38/17/422803817.db2.gz ABMHQMIMQJOURH-GFCCVEGCSA-N 0 1 312.347 1.476 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000287958333 285156385 /nfs/dbraw/zinc/15/63/85/285156385.db2.gz SQFARWVFROFDQQ-LBPRGKRZSA-N 0 1 309.341 1.892 20 5 DDBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@H]2CCCOC2)CC1 ZINC000453581902 285166475 /nfs/dbraw/zinc/16/64/75/285166475.db2.gz VNSFVQKUIZUYAH-CYBMUJFWSA-N 0 1 306.366 1.538 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCC[C@@H]1O ZINC000352661543 285205627 /nfs/dbraw/zinc/20/56/27/285205627.db2.gz UALZPJGHNAVZEL-KGLIPLIRSA-N 0 1 307.350 1.687 20 5 DDBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CC2 ZINC000299531723 533259164 /nfs/dbraw/zinc/25/91/64/533259164.db2.gz LWGUWZDIOPSKTR-UHFFFAOYSA-N 0 1 316.317 1.833 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)CCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000299495597 533658206 /nfs/dbraw/zinc/65/82/06/533658206.db2.gz BGCQIMPBRXLYQT-UHFFFAOYSA-N 0 1 322.296 1.916 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000452605018 533663001 /nfs/dbraw/zinc/66/30/01/533663001.db2.gz LKANVKHLEKDDDI-RSQPEXBXSA-N 0 1 302.334 1.911 20 5 DDBDMN Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)c([N+](=O)[O-])c1 ZINC000285701765 292134424 /nfs/dbraw/zinc/13/44/24/292134424.db2.gz REVZQYBJTYGXIK-JTQLQIEISA-N 0 1 304.306 1.964 20 5 DDBDMN CO[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[C@H]1C ZINC000275986175 286072567 /nfs/dbraw/zinc/07/25/67/286072567.db2.gz GZQJTXDEVKTYFG-ZJUUUORDSA-N 0 1 310.354 1.938 20 5 DDBDMN Cc1ccc([C@@H](C)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000021018929 406889037 /nfs/dbraw/zinc/88/90/37/406889037.db2.gz KRZGAHOEUJDZKY-SNVBAGLBSA-N 0 1 301.368 1.103 20 5 DDBDMN CC(C)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027419981 406910289 /nfs/dbraw/zinc/91/02/89/406910289.db2.gz YQJCWPKXNRCXOC-ZDUSSCGKSA-N 0 1 320.393 1.948 20 5 DDBDMN CCCCN(CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000076951312 406975586 /nfs/dbraw/zinc/97/55/86/406975586.db2.gz GFXXQCJNDRKGIH-UHFFFAOYSA-N 0 1 321.377 1.578 20 5 DDBDMN CCCCN(CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076951266 406976229 /nfs/dbraw/zinc/97/62/29/406976229.db2.gz SNQKTZREWSJCKZ-UHFFFAOYSA-N 0 1 309.366 1.652 20 5 DDBDMN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000066620656 407255593 /nfs/dbraw/zinc/25/55/93/407255593.db2.gz JASCLFMOJCFRPL-SNVBAGLBSA-N 0 1 305.334 1.515 20 5 DDBDMN CCN(Cc1cnn(C)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178580355 407499874 /nfs/dbraw/zinc/49/98/74/407499874.db2.gz KQZNJXASPNFUEL-HNNXBMFYSA-N 0 1 304.350 1.884 20 5 DDBDMN C[C@H](C(=O)N(C)Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185490362 407441526 /nfs/dbraw/zinc/44/15/26/407441526.db2.gz KMYKLSAIKHMKPZ-QMMMGPOBSA-N 0 1 307.285 1.614 20 5 DDBDMN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271328355 407638375 /nfs/dbraw/zinc/63/83/75/407638375.db2.gz LIPLYKDELIGMMA-SDBXPKJASA-N 0 1 322.296 1.963 20 5 DDBDMN CC[C@@H](NCCS(=O)(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000230994674 407696367 /nfs/dbraw/zinc/69/63/67/407696367.db2.gz NNVBHKLRUPATAQ-CYBMUJFWSA-N 0 1 315.395 1.527 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCSC1 ZINC000267163326 407772347 /nfs/dbraw/zinc/77/23/47/407772347.db2.gz GJQZXSUOKDYAAW-MRVPVSSYSA-N 0 1 320.367 1.908 20 5 DDBDMN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180412942 407886081 /nfs/dbraw/zinc/88/60/81/407886081.db2.gz RYCBUHZMEQVJRW-UPJWGTAASA-N 0 1 321.377 1.881 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499376 407949074 /nfs/dbraw/zinc/94/90/74/407949074.db2.gz DLLOUYOSBCQEPA-XQQFMLRXSA-N 0 1 321.377 1.933 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000272499374 407950835 /nfs/dbraw/zinc/95/08/35/407950835.db2.gz DLLOUYOSBCQEPA-RWMBFGLXSA-N 0 1 321.377 1.933 20 5 DDBDMN CN(C)C1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000135039497 407969501 /nfs/dbraw/zinc/96/95/01/407969501.db2.gz FFLUOTZZNOTIDL-UHFFFAOYSA-N 0 1 315.333 1.167 20 5 DDBDMN Cc1ccc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717512 408052511 /nfs/dbraw/zinc/05/25/11/408052511.db2.gz HGWBWQIDUHATOL-UONOGXRCSA-N 0 1 307.394 1.790 20 5 DDBDMN Cc1ccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717512 408052516 /nfs/dbraw/zinc/05/25/16/408052516.db2.gz HGWBWQIDUHATOL-UONOGXRCSA-N 0 1 307.394 1.790 20 5 DDBDMN COc1ccc(OCC[N@@H+](CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000263570936 408178571 /nfs/dbraw/zinc/17/85/71/408178571.db2.gz IUTHFSFLYSNFRQ-UHFFFAOYSA-N 0 1 312.322 1.777 20 5 DDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2nnc[nH]2)CCC1 ZINC000190373420 408231963 /nfs/dbraw/zinc/23/19/63/408231963.db2.gz OYZFIPBEUGUOGD-QPJJXVBHSA-N 0 1 313.317 1.922 20 5 DDBDMN C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000176195670 408307476 /nfs/dbraw/zinc/30/74/76/408307476.db2.gz IFNJCLCIXSOYRW-VIFPVBQESA-N 0 1 304.310 1.027 20 5 DDBDMN CCC[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000269797207 408432216 /nfs/dbraw/zinc/43/22/16/408432216.db2.gz RWMVZWVNCMXWPB-GFCCVEGCSA-N 0 1 320.342 1.563 20 5 DDBDMN Cc1cc(C[C@H](C)NC(=O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000161218059 408574731 /nfs/dbraw/zinc/57/47/31/408574731.db2.gz KQDBQEHOFKCNEM-JTQLQIEISA-N 0 1 318.333 1.753 20 5 DDBDMN Cc1nc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275774973 408672488 /nfs/dbraw/zinc/67/24/88/408672488.db2.gz HMYJBLCTNJLTIO-NSHDSACASA-N 0 1 308.382 1.580 20 5 DDBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)COC[C@H]1CCCO1 ZINC000248784320 408631586 /nfs/dbraw/zinc/63/15/86/408631586.db2.gz XLFIXPBKJDHMEO-LSDHHAIUSA-N 0 1 324.377 1.583 20 5 DDBDMN CCC(=O)[C@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192834942 408657817 /nfs/dbraw/zinc/65/78/17/408657817.db2.gz OWNXGOXRJGBWQV-SNVBAGLBSA-N 0 1 308.338 1.854 20 5 DDBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C)C1=O ZINC000265650085 408731447 /nfs/dbraw/zinc/73/14/47/408731447.db2.gz NQUXQIHPOLCOHZ-CYBMUJFWSA-N 0 1 320.349 1.086 20 5 DDBDMN C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000249146433 408699262 /nfs/dbraw/zinc/69/92/62/408699262.db2.gz ULPXXBLXQSENTR-GXSJLCMTSA-N 0 1 308.338 1.108 20 5 DDBDMN C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000249146433 408699269 /nfs/dbraw/zinc/69/92/69/408699269.db2.gz ULPXXBLXQSENTR-GXSJLCMTSA-N 0 1 308.338 1.108 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000163634358 408783818 /nfs/dbraw/zinc/78/38/18/408783818.db2.gz BBPIWVCLERCKIU-JOYOIKCWSA-N 0 1 304.306 1.040 20 5 DDBDMN C[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000164909359 408806764 /nfs/dbraw/zinc/80/67/64/408806764.db2.gz KXAIUFPQPNEDLN-ONGXEEELSA-N 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DDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000408341612 164301738 /nfs/dbraw/zinc/30/17/38/164301738.db2.gz HVFXKJLUTWKOEL-APJWKNSMSA-N 0 1 312.347 1.282 20 5 DDBDMN CCOC(=O)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CCC1 ZINC000344997742 409588385 /nfs/dbraw/zinc/58/83/85/409588385.db2.gz DGDIEWGFUZVJAH-UHFFFAOYSA-N 0 1 310.310 1.184 20 5 DDBDMN CC(C)(C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnc[nH]1 ZINC000354519634 409915469 /nfs/dbraw/zinc/91/54/69/409915469.db2.gz CBCNBQWFCFRWBS-UHFFFAOYSA-N 0 1 314.305 2.111 20 5 DDBDMN CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC000354521307 409915523 /nfs/dbraw/zinc/91/55/23/409915523.db2.gz NHZDAZDFWUSWHK-AAEUAGOBSA-N 0 1 315.333 1.146 20 5 DDBDMN CCc1nc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297259695 409880056 /nfs/dbraw/zinc/88/00/56/409880056.db2.gz FAOLJGGZNIXSAG-UHFFFAOYSA-N 0 1 318.337 1.317 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]nc2C1 ZINC000351609698 410104688 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CC1(C)[C@H](O)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361408637 418645082 /nfs/dbraw/zinc/64/50/82/418645082.db2.gz PLLQRABNSLHNKS-GFCCVEGCSA-N 0 1 318.333 1.990 20 5 DDBDMN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000365576862 418877973 /nfs/dbraw/zinc/87/79/73/418877973.db2.gz SQOAPFOJBBKBRA-CFVMTHIKSA-N 0 1 303.362 1.745 20 5 DDBDMN Cc1nc([C@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000372137424 418838314 /nfs/dbraw/zinc/83/83/14/418838314.db2.gz UGUSOJAPVSVCGA-SNVBAGLBSA-N 0 1 305.342 1.482 20 5 DDBDMN COCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1C ZINC000428005678 419786326 /nfs/dbraw/zinc/78/63/26/419786326.db2.gz KYSYWODADZTPIE-IINYFYTJSA-N 0 1 324.333 1.566 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@]12CCOC2 ZINC000422087261 419836589 /nfs/dbraw/zinc/83/65/89/419836589.db2.gz JOKAIADBSBKCPH-AWEZNQCLSA-N 0 1 302.290 1.476 20 5 DDBDMN N[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000423826744 420210695 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DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](n2ccnn2)C1 ZINC000602848523 359235697 /nfs/dbraw/zinc/23/56/97/359235697.db2.gz VXRNMFDHIXDHOK-LBPRGKRZSA-N 0 1 305.342 1.028 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000610066697 360377026 /nfs/dbraw/zinc/37/70/26/360377026.db2.gz IKXJRIDZVYKHQU-LURJTMIESA-N 0 1 308.216 1.030 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)CC(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000610917022 360572015 /nfs/dbraw/zinc/57/20/15/360572015.db2.gz VTEKANQEXUOJOI-UHFFFAOYSA-N 0 1 323.353 1.136 20 5 DDBDMN CCN1CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084575 360617553 /nfs/dbraw/zinc/61/75/53/360617553.db2.gz FMRQNGCXOFELML-LLVKDONJSA-N 0 1 306.366 1.485 20 5 DDBDMN O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000619244768 363943415 /nfs/dbraw/zinc/94/34/15/363943415.db2.gz TVIWHGXQAZIUMN-UHFFFAOYSA-N 0 1 313.273 1.089 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000619874129 364170503 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CCn1nccc1CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000338569690 250035061 /nfs/dbraw/zinc/03/50/61/250035061.db2.gz LIWJWHLDPSMIQC-UHFFFAOYSA-N 0 1 301.350 1.807 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@](F)(CO)C1 ZINC000338765213 250127687 /nfs/dbraw/zinc/12/76/87/250127687.db2.gz YLKCGYHSGIEEEZ-CYBMUJFWSA-N 0 1 308.269 1.018 20 5 DDBDMN COc1cc(N2CC[C@@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000285209721 218334516 /nfs/dbraw/zinc/33/45/16/218334516.db2.gz WYZSXQOYXVBSFE-KBPBESRZSA-N 0 1 307.350 1.513 20 5 DDBDMN CC(C)N1CC[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000285366203 218399208 /nfs/dbraw/zinc/39/92/08/218399208.db2.gz VTTOLTXSUIMPFT-MFKMUULPSA-N 0 1 306.366 1.837 20 5 DDBDMN Cc1cccc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1[N+](=O)[O-] ZINC000285350942 218392875 /nfs/dbraw/zinc/39/28/75/218392875.db2.gz ULYQQCFHADZPFB-KGLIPLIRSA-N 0 1 319.361 1.448 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000109621895 194278008 /nfs/dbraw/zinc/27/80/08/194278008.db2.gz DFARVRCRDQZNRL-VIFPVBQESA-N 0 1 324.337 1.296 20 5 DDBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340321313 251006211 /nfs/dbraw/zinc/00/62/11/251006211.db2.gz AXNCCVPZNXZEPJ-CQSZACIVSA-N 0 1 310.317 1.987 20 5 DDBDMN COCCCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120022370 195081673 /nfs/dbraw/zinc/08/16/73/195081673.db2.gz ZYKDTTOAMQCVFC-UHFFFAOYSA-N 0 1 320.342 1.829 20 5 DDBDMN CCN(CCc1nccs1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000269979986 208032926 /nfs/dbraw/zinc/03/29/26/208032926.db2.gz HTJOVDKNMLSUAU-UHFFFAOYSA-N 0 1 309.351 1.788 20 5 DDBDMN CN(C)CC(C)(C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000413363618 224184239 /nfs/dbraw/zinc/18/42/39/224184239.db2.gz QLUSREVHWRACNT-UHFFFAOYSA-N 0 1 321.424 1.812 20 5 DDBDMN O=c1nc([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000289571824 221076743 /nfs/dbraw/zinc/07/67/43/221076743.db2.gz YMHWMZQSQUHUHU-GFCCVEGCSA-N 0 1 317.349 1.428 20 5 DDBDMN O=c1nc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000289571824 221076744 /nfs/dbraw/zinc/07/67/44/221076744.db2.gz YMHWMZQSQUHUHU-GFCCVEGCSA-N 0 1 317.349 1.428 20 5 DDBDMN COc1cc(CNC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000352834675 285328774 /nfs/dbraw/zinc/32/87/74/285328774.db2.gz VSYRYZLERVQHRG-MRVPVSSYSA-N 0 1 320.292 1.718 20 5 DDBDMN CN(C)c1[nH+]cc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1C ZINC000352840858 285330585 /nfs/dbraw/zinc/33/05/85/285330585.db2.gz FDCYUMJLVJTGGF-UHFFFAOYSA-N 0 1 319.321 1.030 20 5 DDBDMN COC(=O)[C@H](CC(C)C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000294734684 533230727 /nfs/dbraw/zinc/23/07/27/533230727.db2.gz ULZCDEPEQBKMNZ-ZDUSSCGKSA-N 0 1 324.333 1.960 20 5 DDBDMN CO[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C12CCC2 ZINC000458189347 533536978 /nfs/dbraw/zinc/53/69/78/533536978.db2.gz LSZZWMANONASFW-CHWSQXEVSA-N 0 1 306.318 1.988 20 5 DDBDMN Cc1n[nH]c(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c1[N+](=O)[O-] ZINC000331950684 533662413 /nfs/dbraw/zinc/66/24/13/533662413.db2.gz HZBXNAMLXDEURZ-GXSJLCMTSA-N 0 1 307.354 1.325 20 5 DDBDMN Cc1n[nH]c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000299455170 533668093 /nfs/dbraw/zinc/66/80/93/533668093.db2.gz UVEHVRCINNNFBL-SNVBAGLBSA-N 0 1 323.378 1.721 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN(C)C ZINC000286610442 292294497 /nfs/dbraw/zinc/29/44/97/292294497.db2.gz HMWDLAATZCFBPV-JTQLQIEISA-N 0 1 301.368 1.132 20 5 DDBDMN Cc1nn(C)c(NC[C@@H](C(C)C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000072015988 406871366 /nfs/dbraw/zinc/87/13/66/406871366.db2.gz JZJMTHJYKCSJQU-ZDUSSCGKSA-N 0 1 324.429 1.321 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078543716 407033239 /nfs/dbraw/zinc/03/32/39/407033239.db2.gz QGTHRVOMLWVASF-LLVKDONJSA-N 0 1 323.353 1.551 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086468683 407112624 /nfs/dbraw/zinc/11/26/24/407112624.db2.gz KJBOSXJWUWTAKI-QWRGUYRKSA-N 0 1 313.379 1.274 20 5 DDBDMN C[C@@H]1CNCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000125360382 407386606 /nfs/dbraw/zinc/38/66/06/407386606.db2.gz KYZXKEJRYWBPJT-GFCCVEGCSA-N 0 1 306.366 1.607 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000170873584 407542674 /nfs/dbraw/zinc/54/26/74/407542674.db2.gz DGVXOFBVKIEPBB-LBPRGKRZSA-N 0 1 313.379 1.228 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271267865 407606391 /nfs/dbraw/zinc/60/63/91/407606391.db2.gz LDGQOFNVJHBIHO-QWHCGFSZSA-N 0 1 305.334 1.657 20 5 DDBDMN Cc1ccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC000129509045 407616719 /nfs/dbraw/zinc/61/67/19/407616719.db2.gz XVWAXLUTSNPJFR-NSHDSACASA-N 0 1 316.321 1.436 20 5 DDBDMN CCN(CC(=O)NCCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178981588 407680477 /nfs/dbraw/zinc/68/04/77/407680477.db2.gz RCVDSVCPXVCGLD-UHFFFAOYSA-N 0 1 306.366 1.607 20 5 DDBDMN Cc1oncc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000132634997 407796694 /nfs/dbraw/zinc/79/66/94/407796694.db2.gz PYWVXVKXHVCRFX-UHFFFAOYSA-N 0 1 311.319 1.876 20 5 DDBDMN COc1cc(Cl)ccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153669043 407874632 /nfs/dbraw/zinc/87/46/32/407874632.db2.gz OXVHZTCSBREMJV-UHFFFAOYSA-N 0 1 310.697 1.910 20 5 DDBDMN CN(CC(=O)NCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000154541158 408047861 /nfs/dbraw/zinc/04/78/61/408047861.db2.gz RNXGTYRKXNAAPA-GFCCVEGCSA-N 0 1 309.391 1.648 20 5 DDBDMN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000175107191 408051235 /nfs/dbraw/zinc/05/12/35/408051235.db2.gz GQGOQIBQZIHIGV-ZYHUDNBSSA-N 0 1 307.350 1.855 20 5 DDBDMN COC(=O)[C@@H](O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373736 408009794 /nfs/dbraw/zinc/00/97/94/408009794.db2.gz PYRPPUGCTDTNHI-ABAIWWIYSA-N 0 1 322.361 1.902 20 5 DDBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182003693 408061500 /nfs/dbraw/zinc/06/15/00/408061500.db2.gz FMXRBAVFNQSMAP-GFCCVEGCSA-N 0 1 307.350 1.905 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CC(N)=O)C1 ZINC000175227470 408084463 /nfs/dbraw/zinc/08/44/63/408084463.db2.gz YHOAXYVTQRDGGQ-LLVKDONJSA-N 0 1 307.350 1.691 20 5 DDBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000189709421 408086483 /nfs/dbraw/zinc/08/64/83/408086483.db2.gz UHTYPIUKSJWMIA-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000189709421 408086491 /nfs/dbraw/zinc/08/64/91/408086491.db2.gz UHTYPIUKSJWMIA-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000246141449 408154397 /nfs/dbraw/zinc/15/43/97/408154397.db2.gz NRLGFJOABQUVQI-DGCLKSJQSA-N 0 1 312.391 1.772 20 5 DDBDMN CCC[C@@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000269281322 408250163 /nfs/dbraw/zinc/25/01/63/408250163.db2.gz LPCLGWKWQDOZLZ-CQSZACIVSA-N 0 1 310.306 1.762 20 5 DDBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000190353025 408225292 /nfs/dbraw/zinc/22/52/92/408225292.db2.gz JDAWVHFKWHXFJA-UHFFFAOYSA-N 0 1 305.269 1.661 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182708163 408228740 /nfs/dbraw/zinc/22/87/40/408228740.db2.gz GHNCTUMIBASBPI-GFCCVEGCSA-N 0 1 318.337 1.102 20 5 DDBDMN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC[C@@H]21 ZINC000150969470 408235592 /nfs/dbraw/zinc/23/55/92/408235592.db2.gz TVIXZFJGYRUCQB-GWCFXTLKSA-N 0 1 320.349 1.252 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC[C@@H]21 ZINC000150969470 408235600 /nfs/dbraw/zinc/23/56/00/408235600.db2.gz TVIXZFJGYRUCQB-GWCFXTLKSA-N 0 1 320.349 1.252 20 5 DDBDMN C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+]1CCCCC1 ZINC000182917928 408283789 /nfs/dbraw/zinc/28/37/89/408283789.db2.gz RYXFUGOVBPYYQW-LLVKDONJSA-N 0 1 322.365 1.690 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000269601108 408356115 /nfs/dbraw/zinc/35/61/15/408356115.db2.gz LAJXGRCMKSCTSW-IMTBSYHQSA-N 0 1 322.243 1.154 20 5 DDBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)c1nn[nH]n1 ZINC000176762102 408434203 /nfs/dbraw/zinc/43/42/03/408434203.db2.gz PSWDCHFAVZRYLR-LLVKDONJSA-N 0 1 304.310 1.688 20 5 DDBDMN CCc1nc([C@@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])n[nH]1 ZINC000270724159 408653730 /nfs/dbraw/zinc/65/37/30/408653730.db2.gz PBJRHTXBUDWFOR-MRVPVSSYSA-N 0 1 318.337 1.808 20 5 DDBDMN CCC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192834957 408658180 /nfs/dbraw/zinc/65/81/80/408658180.db2.gz OWNXGOXRJGBWQV-JTQLQIEISA-N 0 1 308.338 1.854 20 5 DDBDMN C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248910864 408660970 /nfs/dbraw/zinc/66/09/70/408660970.db2.gz IXZDEASTPPHPHQ-FZMZJTMJSA-N 0 1 307.350 1.260 20 5 DDBDMN CCC[N@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184911016 408715897 /nfs/dbraw/zinc/71/58/97/408715897.db2.gz VZZFTUPRRBCMBV-JTQLQIEISA-N 0 1 309.322 1.718 20 5 DDBDMN CCC[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184911016 408715903 /nfs/dbraw/zinc/71/59/03/408715903.db2.gz VZZFTUPRRBCMBV-JTQLQIEISA-N 0 1 309.322 1.718 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccnn3C)CC2)c1[N+](=O)[O-] ZINC000265671564 408740934 /nfs/dbraw/zinc/74/09/34/408740934.db2.gz HGESAUCEROUDBW-UHFFFAOYSA-N 0 1 318.337 1.380 20 5 DDBDMN C[C@@H](NCC(=O)N1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178068697 408768156 /nfs/dbraw/zinc/76/81/56/408768156.db2.gz JVZRSLXNAMRVDA-GFCCVEGCSA-N 0 1 306.366 1.019 20 5 DDBDMN Cc1cc(C[C@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])[nH]n1 ZINC000290855800 408845057 /nfs/dbraw/zinc/84/50/57/408845057.db2.gz XXAMUYGOBGEMJA-ZETCQYMHSA-N 0 1 304.310 1.163 20 5 DDBDMN C[S@@](=O)C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000281753965 408924419 /nfs/dbraw/zinc/92/44/19/408924419.db2.gz JNICGALLRHHTSZ-JOCHJYFZSA-N 0 1 322.346 1.112 20 5 DDBDMN CO[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000281842917 408940414 /nfs/dbraw/zinc/94/04/14/408940414.db2.gz YPJZGIBJCQSNMP-ZWNOBZJWSA-N 0 1 307.350 1.693 20 5 DDBDMN Cc1nn(C)c(N2CC(N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000286296834 408957695 /nfs/dbraw/zinc/95/76/95/408957695.db2.gz JFNPWRZQJYGONI-UHFFFAOYSA-N 0 1 315.377 1.957 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277926118 409036070 /nfs/dbraw/zinc/03/60/70/409036070.db2.gz HJITYOKZFJMPDL-GFCCVEGCSA-N 0 1 307.350 1.354 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC1([S@](C)=O)CC1 ZINC000282338658 409036820 /nfs/dbraw/zinc/03/68/20/409036820.db2.gz LYTIPSVSKSQEIA-NRFANRHFSA-N 0 1 312.391 1.994 20 5 DDBDMN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000294042200 409231562 /nfs/dbraw/zinc/23/15/62/409231562.db2.gz SMRZAQOEGHFFAJ-BETUJISGSA-N 0 1 321.377 1.915 20 5 DDBDMN O=CN1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000294163985 409252268 /nfs/dbraw/zinc/25/22/68/409252268.db2.gz IPTOKVWJNZHAQS-UHFFFAOYSA-N 0 1 320.349 1.088 20 5 DDBDMN NC(=O)c1ccc(NCc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000295055093 409310889 /nfs/dbraw/zinc/31/08/89/409310889.db2.gz YDKVDVWCXYUYPN-UHFFFAOYSA-N 0 1 302.294 1.301 20 5 DDBDMN CC(C)(C)[C@@H](O)C[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000284084910 409272046 /nfs/dbraw/zinc/27/20/46/409272046.db2.gz RGNUAZYRRXVXCJ-MNOVXSKESA-N 0 1 302.396 1.904 20 5 DDBDMN C[C@@]1(O)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000280605817 409376198 /nfs/dbraw/zinc/37/61/98/409376198.db2.gz PAKIANVLVRYUKU-OAHLLOKOSA-N 0 1 318.333 1.848 20 5 DDBDMN O=c1nc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)[nH][nH]1 ZINC000295281448 409412443 /nfs/dbraw/zinc/41/24/43/409412443.db2.gz KPYMDLAKNOYGNA-LBPRGKRZSA-N 0 1 321.312 1.873 20 5 DDBDMN Cn1ccnc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331501783 409574844 /nfs/dbraw/zinc/57/48/44/409574844.db2.gz BOEKKKLSLQTLQZ-RYUDHWBXSA-N 0 1 304.354 1.798 20 5 DDBDMN CN(C(=O)CN1CCC[C@@H]1C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000305468895 409754810 /nfs/dbraw/zinc/75/48/10/409754810.db2.gz XNLXJZRPCSGMCY-CQSZACIVSA-N 0 1 321.377 1.793 20 5 DDBDMN 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CCOC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC001346106353 873614027 /nfs/dbraw/zinc/61/40/27/873614027.db2.gz DVGQORVBCMLTCV-IJLUTSLNSA-N 0 1 311.265 1.638 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])c(OC[C@@H]2CCC(=O)O2)cc1O ZINC001228812172 883684317 /nfs/dbraw/zinc/68/43/17/883684317.db2.gz UVPMDPNZLGMBJV-ZETCQYMHSA-N 0 1 311.246 1.171 20 5 DDBDMN CC(C)N(CCN(C)C(=O)/C=C\C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001288166912 912763726 /nfs/dbraw/zinc/76/37/26/912763726.db2.gz GXUPDXABRFMWMG-YOIVVXPQSA-N 0 1 323.393 1.313 20 5 DDBDMN Cc1nc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378387 883952190 /nfs/dbraw/zinc/95/21/90/883952190.db2.gz LGPROPQCHRJJTK-PEGIJTEDSA-N 0 1 308.338 1.508 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001292121277 913618403 /nfs/dbraw/zinc/61/84/03/913618403.db2.gz BODYNMRKDSLSAX-LLVKDONJSA-N 0 1 319.361 1.960 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001292121278 913619507 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DDBDMN C[C@@H]1CN(CCCNC(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000036830941 352296329 /nfs/dbraw/zinc/29/63/29/352296329.db2.gz ZLLXNAPIDRQLBT-BETUJISGSA-N 0 1 321.377 1.824 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000056394745 352770968 /nfs/dbraw/zinc/77/09/68/352770968.db2.gz SMFURYBQGCZFMC-UTUOFQBUSA-N 0 1 315.333 1.101 20 5 DDBDMN CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000174180857 198302390 /nfs/dbraw/zinc/30/23/90/198302390.db2.gz YJJHGJCSGUNKJC-UHFFFAOYSA-N 0 1 322.365 1.547 20 5 DDBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cnccn1 ZINC000174653028 198365935 /nfs/dbraw/zinc/36/59/35/198365935.db2.gz DNKYIJWLSQBBSB-UHFFFAOYSA-N 0 1 315.333 1.845 20 5 DDBDMN COc1cccc(NC2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000077015427 353448779 /nfs/dbraw/zinc/44/87/79/353448779.db2.gz YTXSTCALHXKTMS-LSDHHAIUSA-N 0 1 319.361 1.763 20 5 DDBDMN COc1cc(NC[C@@H](C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000078295374 353509841 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20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCCSC1 ZINC000594778359 356314190 /nfs/dbraw/zinc/31/41/90/356314190.db2.gz IMDYVVZPUOTPPW-VIFPVBQESA-N 0 1 317.392 1.411 20 5 DDBDMN C[C@]1(CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1(F)F ZINC000594856125 356339697 /nfs/dbraw/zinc/33/96/97/356339697.db2.gz FVPKNANWAQBHQR-JTQLQIEISA-N 0 1 321.305 1.704 20 5 DDBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595346306 356458207 /nfs/dbraw/zinc/45/82/07/356458207.db2.gz IKCKITCUZUFMAT-SNVBAGLBSA-N 0 1 306.326 1.697 20 5 DDBDMN Cc1nnc([C@@H]2CCCN(Cc3onc(C)c3[N+](=O)[O-])C2)[nH]1 ZINC000595346306 356458208 /nfs/dbraw/zinc/45/82/08/356458208.db2.gz IKCKITCUZUFMAT-SNVBAGLBSA-N 0 1 306.326 1.697 20 5 DDBDMN Cc1noc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000595457372 356500482 /nfs/dbraw/zinc/50/04/82/356500482.db2.gz WSOSFQUZLOYMPX-OLZOCXBDSA-N 0 1 324.381 1.624 20 5 DDBDMN COC(=O)[C@@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000595558584 356549827 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595780787 356649445 /nfs/dbraw/zinc/64/94/45/356649445.db2.gz IGENPKFQOMIVSG-KGLIPLIRSA-N 0 1 319.361 1.735 20 5 DDBDMN O=C([O-])[C@]12COC[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595884648 356691448 /nfs/dbraw/zinc/69/14/48/356691448.db2.gz JKIXSDHNHBQIBE-IAQYHMDHSA-N 0 1 322.317 1.007 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000595869411 356686179 /nfs/dbraw/zinc/68/61/79/356686179.db2.gz CWGFIAOHWNAVAQ-HSMVNMDESA-N 0 1 321.377 1.872 20 5 DDBDMN COCc1nc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)n[nH]1 ZINC000596435062 356880179 /nfs/dbraw/zinc/88/01/79/356880179.db2.gz AMAYAIXSGCDFGT-UHFFFAOYSA-N 0 1 305.294 1.674 20 5 DDBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)[nH]1 ZINC000596435062 356880184 /nfs/dbraw/zinc/88/01/84/356880184.db2.gz AMAYAIXSGCDFGT-UHFFFAOYSA-N 0 1 305.294 1.674 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000597942085 357393039 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COC(=O)COc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600190937 358150838 /nfs/dbraw/zinc/15/08/38/358150838.db2.gz JSMKEBPMXYHHPJ-TXEJJXNPSA-N 0 1 306.318 1.598 20 5 DDBDMN C[N@H+]1CCCC[C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000600314155 358193056 /nfs/dbraw/zinc/19/30/56/358193056.db2.gz MAIIEHICNVBXKG-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000600868623 358332600 /nfs/dbraw/zinc/33/26/00/358332600.db2.gz IOEVKVNKWCUVOJ-LLVKDONJSA-N 0 1 321.333 1.216 20 5 DDBDMN O=C(N[C@H]1CCCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000180995583 199238903 /nfs/dbraw/zinc/23/89/03/199238903.db2.gz IGOORHJCUPVVRI-VIFPVBQESA-N 0 1 304.306 1.770 20 5 DDBDMN COCC1(C2CC2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000601768026 358686784 /nfs/dbraw/zinc/68/67/84/358686784.db2.gz MMRBBTCFBVNFQF-UHFFFAOYSA-N 0 1 306.318 1.799 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000602915118 359291759 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DDBDMN CN1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000609546564 360322393 /nfs/dbraw/zinc/32/23/93/360322393.db2.gz BAGDBMVBTDKVTH-CQSZACIVSA-N 0 1 306.366 1.607 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000610005470 360372204 /nfs/dbraw/zinc/37/22/04/360372204.db2.gz SQYHGIQDTBDQCZ-UHFFFAOYSA-N 0 1 310.335 1.413 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000610240011 360395747 /nfs/dbraw/zinc/39/57/47/360395747.db2.gz VBYPZTSXGDZLIX-ZDUSSCGKSA-N 0 1 321.377 1.744 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000287914568 219803805 /nfs/dbraw/zinc/80/38/05/219803805.db2.gz ILSGJXCCHODPCK-SECBINFHSA-N 0 1 318.337 1.624 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(Oc2ccncc2)C1 ZINC000611556034 360758793 /nfs/dbraw/zinc/75/87/93/360758793.db2.gz NERRVNVMFIHQKC-UHFFFAOYSA-N 0 1 315.285 1.599 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253108 363946680 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DDBDMN CN(C)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000339267002 250377347 /nfs/dbraw/zinc/37/73/47/250377347.db2.gz VPDAFSDYBWBWTN-UHFFFAOYSA-N 0 1 314.345 1.981 20 5 DDBDMN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1C ZINC000159398335 197350289 /nfs/dbraw/zinc/35/02/89/197350289.db2.gz UFAJVUMQYURDRE-WDEREUQCSA-N 0 1 307.350 1.855 20 5 DDBDMN CCCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000273744543 211020159 /nfs/dbraw/zinc/02/01/59/211020159.db2.gz MKAYAGBNLZYEPQ-GFCCVEGCSA-N 0 1 310.306 1.762 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268704192 206910462 /nfs/dbraw/zinc/91/04/62/206910462.db2.gz AQVKQXMISFICQU-UHFFFAOYSA-N 0 1 318.215 1.480 20 5 DDBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NC1CC1 ZINC000056196679 184007064 /nfs/dbraw/zinc/00/70/64/184007064.db2.gz GCYYIFNOMLEBKH-NXEZZACHSA-N 0 1 320.349 1.622 20 5 DDBDMN CC[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000341042246 251350203 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DDBDMN O=[N+]([O-])c1ccccc1OCCN(CCO)Cc1cccnc1 ZINC000156770573 197139082 /nfs/dbraw/zinc/13/90/82/197139082.db2.gz QTTFQJGOPFLOSB-UHFFFAOYSA-N 0 1 317.345 1.863 20 5 DDBDMN O=c1ccc(C(F)(F)F)nn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436473225 285221068 /nfs/dbraw/zinc/22/10/68/285221068.db2.gz FTNSKXNEWZDVKS-UHFFFAOYSA-N 0 1 315.207 1.924 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1n[nH]c(C3CC3)n1)CCO2 ZINC000352708006 285243833 /nfs/dbraw/zinc/24/38/33/285243833.db2.gz USWQULDNSNIBQI-UHFFFAOYSA-N 0 1 315.333 1.985 20 5 DDBDMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187624654 285273224 /nfs/dbraw/zinc/27/32/24/285273224.db2.gz RQJMCFWQHMFEIY-LBPRGKRZSA-N 0 1 307.350 1.857 20 5 DDBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000352798024 285307729 /nfs/dbraw/zinc/30/77/29/285307729.db2.gz WYQUJYBNQKUMCP-QWHCGFSZSA-N 0 1 321.377 1.915 20 5 DDBDMN O=C(Nc1ccccc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000046901923 407066541 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CC[C@@H](CO)N1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266207055 407535273 /nfs/dbraw/zinc/53/52/73/407535273.db2.gz LJCIMOUKMGUZQU-LBPRGKRZSA-N 0 1 309.366 1.496 20 5 DDBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)O ZINC000266728936 407613511 /nfs/dbraw/zinc/61/35/11/407613511.db2.gz JVKDEZLCCUKGBW-UHFFFAOYSA-N 0 1 309.366 1.935 20 5 DDBDMN CCC(=O)N[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000130384450 407683221 /nfs/dbraw/zinc/68/32/21/407683221.db2.gz KIRUGGZGXTZFRZ-ZDUSSCGKSA-N 0 1 321.377 1.964 20 5 DDBDMN C[C@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnc[nH]1 ZINC000178993691 407685044 /nfs/dbraw/zinc/68/50/44/407685044.db2.gz SFYHVPCYHOHXHV-QMMMGPOBSA-N 0 1 314.305 1.614 20 5 DDBDMN O=C(N[C@H]1CC[C@H](O)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153430790 407822263 /nfs/dbraw/zinc/82/22/63/407822263.db2.gz AWAKKMZLBXLAQL-WAAGHKOSSA-N 0 1 304.306 1.504 20 5 DDBDMN COc1ccc(CNC(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000272290134 407854457 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20 5 DDBDMN CC(=O)N1CCC(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272541013 407972984 /nfs/dbraw/zinc/97/29/84/407972984.db2.gz NVIRZLDDTQURTN-UHFFFAOYSA-N 0 1 321.333 1.289 20 5 DDBDMN NC(=O)CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272487059 407944950 /nfs/dbraw/zinc/94/49/50/407944950.db2.gz ALVQEPOLHCTEMM-UHFFFAOYSA-N 0 1 321.333 1.418 20 5 DDBDMN COCCNc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000154381637 408030574 /nfs/dbraw/zinc/03/05/74/408030574.db2.gz HJFWYUSOZGZVSH-UHFFFAOYSA-N 0 1 319.321 1.306 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000154472537 408040709 /nfs/dbraw/zinc/04/07/09/408040709.db2.gz NVVMKYAMGGBPLV-KKUMJFAQSA-N 0 1 324.402 1.835 20 5 DDBDMN O=C(NC[C@@H]1CCOc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000154169166 407988797 /nfs/dbraw/zinc/98/87/97/407988797.db2.gz FEMCLMOXWYQJGX-VIFPVBQESA-N 0 1 302.290 1.614 20 5 DDBDMN CC[C@@H](N[C@H](C)C(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181540084 408008191 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DDBDMN CCN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000521992784 421809467 /nfs/dbraw/zinc/80/94/67/421809467.db2.gz QKCAJEPLJXAXJR-UHFFFAOYSA-N 0 1 321.333 1.491 20 5 DDBDMN CCc1nc(CN(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cs1 ZINC000522201708 421819823 /nfs/dbraw/zinc/81/98/23/421819823.db2.gz OOAHTBTYQVNNOD-UHFFFAOYSA-N 0 1 309.351 1.917 20 5 DDBDMN O=C([O-])Cc1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000573004272 421897887 /nfs/dbraw/zinc/89/78/87/421897887.db2.gz VPIWLSAKTJKWEL-UHFFFAOYSA-N 0 1 323.349 1.356 20 5 DDBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000573252896 421941931 /nfs/dbraw/zinc/94/19/31/421941931.db2.gz MZKUJOODLOTKIR-PHIMTYICSA-N 0 1 323.349 1.184 20 5 DDBDMN C[N@@H+](CCCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC000576043094 422361766 /nfs/dbraw/zinc/36/17/66/422361766.db2.gz AZOFSJHRDQJEKD-UHFFFAOYSA-N 0 1 308.338 1.974 20 5 DDBDMN CC(C)Oc1nc(NCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000577004126 422381705 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CC(C)c1nnc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000345587761 272285594 /nfs/dbraw/zinc/28/55/94/272285594.db2.gz LXTPWSPUJHNDJQ-UHFFFAOYSA-N 0 1 310.339 1.265 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC3CC3)CC2)c1 ZINC000302092646 274004284 /nfs/dbraw/zinc/00/42/84/274004284.db2.gz MRAHRIQSPDHGMG-UHFFFAOYSA-N 0 1 319.361 1.913 20 5 DDBDMN O=C([O-])[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000262650833 275003107 /nfs/dbraw/zinc/00/31/07/275003107.db2.gz LHTXVJTWFHOEFZ-GWCFXTLKSA-N 0 1 319.317 1.107 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000408398925 276041223 /nfs/dbraw/zinc/04/12/23/276041223.db2.gz DCECRKGSWFBZDU-AWEZNQCLSA-N 0 1 308.338 1.694 20 5 DDBDMN CNC(=O)N[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000334047271 277238827 /nfs/dbraw/zinc/23/88/27/277238827.db2.gz BECTZVWVHOSCIZ-NEPJUHHUSA-N 0 1 306.366 1.968 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CCC(CN3CCOCC3)CC2)n1 ZINC000178174218 281009660 /nfs/dbraw/zinc/00/96/60/281009660.db2.gz PQDOFZMDHJOFSE-UHFFFAOYSA-N 0 1 320.393 1.847 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000178250485 281012240 /nfs/dbraw/zinc/01/22/40/281012240.db2.gz IWZHCQHAQLBPNA-CYBMUJFWSA-N 0 1 306.366 1.457 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000185808396 281362265 /nfs/dbraw/zinc/36/22/65/281362265.db2.gz IXWPWQPTFRQBOZ-SECBINFHSA-N 0 1 310.310 1.048 20 5 DDBDMN C[C@@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000158607346 289203455 /nfs/dbraw/zinc/20/34/55/289203455.db2.gz JPKZBXQYRMSPDT-LLVKDONJSA-N 0 1 304.299 1.191 20 5 DDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CCNCC1 ZINC000261862024 290267133 /nfs/dbraw/zinc/26/71/33/290267133.db2.gz GAHGOYGLJLEDSK-GFCCVEGCSA-N 0 1 306.366 1.019 20 5 DDBDMN Cn1cc(-c2cccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])c2)cn1 ZINC000362687604 300116305 /nfs/dbraw/zinc/11/63/05/300116305.db2.gz QRLOMIJCPRWZPY-KGLIPLIRSA-N 0 1 300.318 1.369 20 5 DDBDMN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364054181 300339445 /nfs/dbraw/zinc/33/94/45/300339445.db2.gz PNLUZXZFJPTCMR-LNLATYFQSA-N 0 1 311.288 1.325 20 5 DDBDMN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356342981 306848496 /nfs/dbraw/zinc/84/84/96/306848496.db2.gz PSGZLUFVPSPYHZ-RKDXNWHRSA-N 0 1 307.306 1.026 20 5 DDBDMN C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000362090447 307014091 /nfs/dbraw/zinc/01/40/91/307014091.db2.gz NHQPITCKCCIFJK-WCQYABFASA-N 0 1 319.361 1.044 20 5 DDBDMN O=C(N[C@H]1C[C@]12CCOc1ccccc12)c1n[nH]cc1[N+](=O)[O-] ZINC000371224678 307145325 /nfs/dbraw/zinc/14/53/25/307145325.db2.gz ARTJJHUVEDKGDB-WFASDCNBSA-N 0 1 314.301 1.541 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000373369637 307185893 /nfs/dbraw/zinc/18/58/93/307185893.db2.gz MKGLKLSPUGTMRD-JHJVBQTASA-N 0 1 310.737 1.905 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c(F)c1 ZINC000375774429 307230636 /nfs/dbraw/zinc/23/06/36/307230636.db2.gz OWPZEJWHDVBBQN-GJZGRUSLSA-N 0 1 309.341 1.769 20 5 DDBDMN C[C@@H](C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000496105348 307325961 /nfs/dbraw/zinc/32/59/61/307325961.db2.gz PUYRRHCGRYDJSK-UKKRHICBSA-N 0 1 315.370 1.460 20 5 DDBDMN C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000565035712 308017455 /nfs/dbraw/zinc/01/74/55/308017455.db2.gz OSVYBCJZUDBEJN-SNVBAGLBSA-N 0 1 320.349 1.609 20 5 DDBDMN CCc1cc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000573713582 308250270 /nfs/dbraw/zinc/25/02/70/308250270.db2.gz ZCLOVSLCDNRYCA-CYBMUJFWSA-N 0 1 321.333 1.675 20 5 DDBDMN CO[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C(=O)[O-])C1 ZINC000577296723 308378299 /nfs/dbraw/zinc/37/82/99/308378299.db2.gz LPJCLXFBDHAQRZ-KBPBESRZSA-N 0 1 324.333 1.538 20 5 DDBDMN CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394260145 337107692 /nfs/dbraw/zinc/10/76/92/337107692.db2.gz FAGNFXCRMBRWAL-ZACCUICWSA-N 0 1 320.349 1.749 20 5 DDBDMN CC[C@@H]1CN(C)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000583892210 337384088 /nfs/dbraw/zinc/38/40/88/337384088.db2.gz ZIFGKSKNRJFWGB-CYBMUJFWSA-N 0 1 320.393 1.584 20 5 DDBDMN C[C@@H]1[C@@H](CO)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000488728639 484215219 /nfs/dbraw/zinc/21/52/19/484215219.db2.gz FLAAXYDCEIKKJP-ZYHUDNBSSA-N 0 1 318.333 1.848 20 5 DDBDMN O=C(Nc1nn[nH]n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431333462 534479076 /nfs/dbraw/zinc/47/90/76/534479076.db2.gz OXWYELJMJPCSAW-UHFFFAOYSA-N 0 1 313.071 1.123 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H]1CO ZINC000295928966 534652858 /nfs/dbraw/zinc/65/28/58/534652858.db2.gz KENGGIDLIRUEKJ-LBPRGKRZSA-N 0 1 316.317 1.582 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC(=O)CC1 ZINC000294604712 534653818 /nfs/dbraw/zinc/65/38/18/534653818.db2.gz XQUWOSUOLDBZQH-UHFFFAOYSA-N 0 1 314.301 1.790 20 5 DDBDMN CCOc1cc(N2CCN(CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302485920 528311591 /nfs/dbraw/zinc/31/15/91/528311591.db2.gz YKKMEMRJKHOSHX-GFCCVEGCSA-N 0 1 309.366 1.496 20 5 DDBDMN CC1(C)CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000492096065 529058968 /nfs/dbraw/zinc/05/89/68/529058968.db2.gz OOOUMTMDCDDJOP-GQCTYLIASA-N 0 1 307.325 1.958 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828422921 601532536 /nfs/dbraw/zinc/53/25/36/601532536.db2.gz JQKLQQNYFYVOTE-GBIKHYSHSA-N 0 1 321.333 1.574 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1CNC(=O)[O-] ZINC000825925598 603708268 /nfs/dbraw/zinc/70/82/68/603708268.db2.gz QDSYCYAZTSFRBO-QWRGUYRKSA-N 0 1 311.342 1.159 20 5 DDBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000827016219 604401728 /nfs/dbraw/zinc/40/17/28/604401728.db2.gz MDLMSOCAYLNSMW-CQSZACIVSA-N 0 1 310.350 1.947 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)N1CCCCCC1 ZINC000124015528 696738065 /nfs/dbraw/zinc/73/80/65/696738065.db2.gz QRTWFEXNOWEPMK-LBPRGKRZSA-N 0 1 324.381 1.907 20 5 DDBDMN O=C(N[C@H](CCO)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000799814971 700169749 /nfs/dbraw/zinc/16/97/49/700169749.db2.gz SGEQOAIPCZXACV-LLVKDONJSA-N 0 1 304.306 1.041 20 5 DDBDMN O=[N+]([O-])c1ccc(CN2CCN(CCCCO)CC2)c(F)c1 ZINC000750053579 700200835 /nfs/dbraw/zinc/20/08/35/700200835.db2.gz PILZMCLJFYAORN-UHFFFAOYSA-N 0 1 311.357 1.624 20 5 DDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCCO)CC1 ZINC000743840748 699928215 /nfs/dbraw/zinc/92/82/15/699928215.db2.gz KXAWTBOBHQKAQV-GFCCVEGCSA-N 0 1 321.377 1.476 20 5 DDBDMN C[C@@H](Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1)C(N)=O ZINC000744211171 699940245 /nfs/dbraw/zinc/94/02/45/699940245.db2.gz RCJNBHPHEBRXCS-MRVPVSSYSA-N 0 1 319.273 1.395 20 5 DDBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC)C[C@H]1C ZINC000754079786 700481384 /nfs/dbraw/zinc/48/13/84/700481384.db2.gz LTTIGIGTZUNFBD-LLVKDONJSA-N 0 1 306.366 1.485 20 5 DDBDMN O=C(OCc1nc(-c2cccnc2)no1)c1ccc([N+](=O)[O-])[nH]1 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O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])N[C@H](c1ccccc1)C1CC1 ZINC000840672049 702195845 /nfs/dbraw/zinc/19/58/45/702195845.db2.gz CSEBGCHPMKPRQU-UMVBOHGHSA-N 0 1 318.329 1.462 20 5 DDBDMN O=C(NCc1c[nH]nn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813469509 702355080 /nfs/dbraw/zinc/35/50/80/702355080.db2.gz FRZGTRQWZSBRSF-UHFFFAOYSA-N 0 1 316.104 1.950 20 5 DDBDMN O=C([O-])C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000846268544 703258515 /nfs/dbraw/zinc/25/85/15/703258515.db2.gz JTRBCPFDMWFPMY-CYBMUJFWSA-N 0 1 324.333 1.131 20 5 DDBDMN O=C1OCCN1[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000852432980 704045615 /nfs/dbraw/zinc/04/56/15/704045615.db2.gz RLOCQGLIALVUOU-ZDUSSCGKSA-N 0 1 321.333 1.500 20 5 DDBDMN CCS(=O)(=O)C[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819064820 704064201 /nfs/dbraw/zinc/06/42/01/704064201.db2.gz DGSWWXVYICTNOK-MFKMUULPSA-N 0 1 316.379 1.041 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000819724788 704165399 /nfs/dbraw/zinc/16/53/99/704165399.db2.gz PFLUCNQGAIPQGO-VIFPVBQESA-N 0 1 321.724 1.996 20 5 DDBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819948725 704191136 /nfs/dbraw/zinc/19/11/36/704191136.db2.gz OFJRMGKYXWFMMN-MRVPVSSYSA-N 0 1 304.266 1.615 20 5 DDBDMN COc1cc(OCC(=O)O[C@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000853220535 704219447 /nfs/dbraw/zinc/21/94/47/704219447.db2.gz YNCGWICIPXWOJZ-MRVPVSSYSA-N 0 1 322.277 1.405 20 5 DDBDMN C[C@H](OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000853224980 704220648 /nfs/dbraw/zinc/22/06/48/704220648.db2.gz JFWKEXZJEFTICC-VIFPVBQESA-N 0 1 318.289 1.980 20 5 DDBDMN CN(CC1CN(C)C1)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000853824954 704321966 /nfs/dbraw/zinc/32/19/66/704321966.db2.gz ACFPUUGNAQFOBY-UHFFFAOYSA-N 0 1 304.350 1.477 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000820873753 704340987 /nfs/dbraw/zinc/34/09/87/704340987.db2.gz GUYKLJPLJCJWSS-LLVKDONJSA-N 0 1 321.381 1.042 20 5 DDBDMN O=C(NCC(F)(F)c1ccc(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000834291900 707022914 /nfs/dbraw/zinc/02/29/14/707022914.db2.gz IPGLJZICJMPXQG-GMSGAONNSA-N 0 1 306.215 1.838 20 5 DDBDMN CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000825835107 705735248 /nfs/dbraw/zinc/73/52/48/705735248.db2.gz BQKFLCBRHGQPDJ-HUUCEWRRSA-N 0 1 319.361 1.181 20 5 DDBDMN O=C(NC12CCN(CC1)C2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000828009390 706103015 /nfs/dbraw/zinc/10/30/15/706103015.db2.gz FQSHMXAJEULYLK-KBPBESRZSA-N 0 1 301.346 1.663 20 5 DDBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(C3CC3)n2)c2nonc21 ZINC000828511510 706191715 /nfs/dbraw/zinc/19/17/15/706191715.db2.gz OPOHPMRCBHGMND-UHFFFAOYSA-N 0 1 301.266 1.739 20 5 DDBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc2c(s1)CCCC2 ZINC000832571302 706942308 /nfs/dbraw/zinc/94/23/08/706942308.db2.gz YQEXMBXGGXOTPL-NXEZZACHSA-N 0 1 308.359 1.591 20 5 DDBDMN O=[N+]([O-])c1cccc(CN2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880588939 707029603 /nfs/dbraw/zinc/02/96/03/707029603.db2.gz IHZLLMMHDCDIJF-HNNXBMFYSA-N 0 1 306.362 1.958 20 5 DDBDMN Cc1c(CNCCS(=O)(=O)CC2CC2)cccc1[N+](=O)[O-] ZINC000873080165 707722009 /nfs/dbraw/zinc/72/20/09/707722009.db2.gz KJUMNTAGRLRFOK-UHFFFAOYSA-N 0 1 312.391 1.818 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCC1(S(C)(=O)=O)CC1 ZINC000873118512 707737377 /nfs/dbraw/zinc/73/73/77/707737377.db2.gz KEQSVCRHKZNXEN-UHFFFAOYSA-N 0 1 312.391 1.878 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](O)C2)c1C ZINC000899155274 709003155 /nfs/dbraw/zinc/00/31/55/709003155.db2.gz YAEPAZOAZIBYOP-LBPRGKRZSA-N 0 1 307.350 1.008 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCC3)C2)c1 ZINC000912920020 713124486 /nfs/dbraw/zinc/12/44/86/713124486.db2.gz PJFPTCVSTCCWAL-NSHDSACASA-N 0 1 305.334 1.524 20 5 DDBDMN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN(CC(C)C)CCO1 ZINC000891572208 710238703 /nfs/dbraw/zinc/23/87/03/710238703.db2.gz RLTGVEJXPWKFAX-CYBMUJFWSA-N 0 1 324.381 1.767 20 5 DDBDMN C[C@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928431520 713192704 /nfs/dbraw/zinc/19/27/04/713192704.db2.gz FBEXYQXVJIIWOX-FZMZJTMJSA-N 0 1 319.361 1.767 20 5 DDBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1CO ZINC000894880822 711306700 /nfs/dbraw/zinc/30/67/00/711306700.db2.gz GTIDVIWOVZCNSY-NSHDSACASA-N 0 1 302.334 1.256 20 5 DDBDMN CN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@H]1CO ZINC000894880822 711306703 /nfs/dbraw/zinc/30/67/03/711306703.db2.gz GTIDVIWOVZCNSY-NSHDSACASA-N 0 1 302.334 1.256 20 5 DDBDMN C[C@H](NC(=O)C1CN([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783212 711605225 /nfs/dbraw/zinc/60/52/25/711605225.db2.gz RSRMLXHDIQLSQL-XHDPSFHLSA-N 0 1 319.361 1.493 20 5 DDBDMN O=C(NC12CCN(CC1)C2)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000913631946 713272755 /nfs/dbraw/zinc/27/27/55/713272755.db2.gz KAHHNTPHPNNQNF-UHFFFAOYSA-N 0 1 300.318 1.654 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCN1C ZINC000914291384 713371525 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CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cncc(C)c2)C1 ZINC000950052403 720469174 /nfs/dbraw/zinc/46/91/74/720469174.db2.gz IZLUVOVQCKDIDE-HUUCEWRRSA-N 0 1 318.377 1.088 20 5 DDBDMN C/C=C(/C)C(=O)N1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953927036 721679760 /nfs/dbraw/zinc/67/97/60/721679760.db2.gz NBYYBOUNQYKTOI-KSNZYYIMSA-N 0 1 309.366 1.067 20 5 DDBDMN Cc1nc[nH]c1CC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001149130814 732367769 /nfs/dbraw/zinc/36/77/69/732367769.db2.gz RJSOKGKEZDMRPS-UHFFFAOYSA-N 0 1 323.378 1.136 20 5 DDBDMN Cc1cnc(Br)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001121141331 782376545 /nfs/dbraw/zinc/37/65/45/782376545.db2.gz CZOPGJBZEIHWQF-HTRCEHHLSA-N 0 1 300.112 1.756 20 5 DDBDMN Cc1cc(N(C)CCN(C)C(=O)c2ccn[nH]2)ncc1[N+](=O)[O-] ZINC001105339367 738290026 /nfs/dbraw/zinc/29/00/26/738290026.db2.gz OVMXIWHTDKPDJQ-UHFFFAOYSA-N 0 1 318.337 1.230 20 5 DDBDMN CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1[nH]nnc1C ZINC001106919861 748126498 /nfs/dbraw/zinc/12/64/98/748126498.db2.gz TVXKGUQOXXNMOO-UHFFFAOYSA-N 0 1 318.337 1.596 20 5 DDBDMN C=C/C(C)=C\CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080275205 755795850 /nfs/dbraw/zinc/79/58/50/755795850.db2.gz VQJMJFDSQKDPFZ-FLFDDASRSA-N 0 1 321.377 1.233 20 5 DDBDMN Cc1cc(Cl)nc(-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001156828772 763916053 /nfs/dbraw/zinc/91/60/53/763916053.db2.gz DGOQJPUDJCNMRM-UHFFFAOYSA-N 0 1 308.729 1.384 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccc(CF)cc2)C1 ZINC001042704883 764373056 /nfs/dbraw/zinc/37/30/56/764373056.db2.gz ADSJPUUHJBZUGQ-HUUCEWRRSA-N 0 1 321.352 1.464 20 5 DDBDMN COc1ccc(C[C@@H](C)N2CC[C@@H](F)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327848 766254109 /nfs/dbraw/zinc/25/41/09/766254109.db2.gz IIKWAZPQSJXIMY-WDBKCZKBSA-N 0 1 312.341 1.939 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001158144620 767777246 /nfs/dbraw/zinc/77/72/46/767777246.db2.gz HXJMGLWNAFBRDF-NSHDSACASA-N 0 1 306.366 1.733 20 5 DDBDMN Cc1cnoc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001146495223 772878298 /nfs/dbraw/zinc/87/82/98/772878298.db2.gz XBVRDUFGFJECKL-UHFFFAOYSA-N 0 1 310.335 1.472 20 5 DDBDMN O=C(CCc1cnc[nH]1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094225204 775593361 /nfs/dbraw/zinc/59/33/61/775593361.db2.gz QEVBUHUVFSITJL-UHFFFAOYSA-N 0 1 322.300 1.013 20 5 DDBDMN Cc1nc2c(c(=O)[nH]1)CN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC001175078555 777685180 /nfs/dbraw/zinc/68/51/80/777685180.db2.gz BRSKUBROOGIUMN-UHFFFAOYSA-N 0 1 302.290 1.620 20 5 DDBDMN CC1(NC(=O)C=C2CCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013276 858000553 /nfs/dbraw/zinc/00/05/53/858000553.db2.gz XXOYJNTUTFQRGL-CHWSQXEVSA-N 0 1 321.377 1.259 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4CC[C@H]4C3)nn2)cc1 ZINC001158434472 864651693 /nfs/dbraw/zinc/65/16/93/864651693.db2.gz SEEWGLKXFFYOCB-AWEZNQCLSA-N 0 1 311.345 1.946 20 5 DDBDMN C[NH+](C)C=Cc1cc(NCc2cc(=O)[n-]o2)ncc1[N+](=O)[O-] ZINC001158563375 864730435 /nfs/dbraw/zinc/73/04/35/864730435.db2.gz GIGRSIXHTGSUEV-ONEGZZNKSA-N 0 1 305.294 1.828 20 5 DDBDMN C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001277058333 881933704 /nfs/dbraw/zinc/93/37/04/881933704.db2.gz LQJIKZBNOOLTIA-KQURDKLPSA-N 0 1 308.309 1.779 20 5 DDBDMN O=C(NC/C=C/CNCc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001321069568 867283966 /nfs/dbraw/zinc/28/39/66/867283966.db2.gz ITYZBDNEXNRJON-ONEGZZNKSA-N 0 1 314.345 1.999 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C)CCN2C)c1C ZINC001334414893 867553247 /nfs/dbraw/zinc/55/32/47/867553247.db2.gz HROWKMAQGYJQLQ-CYBMUJFWSA-N 0 1 320.393 1.187 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC001322752717 868362639 /nfs/dbraw/zinc/36/26/39/868362639.db2.gz MPAZNEDSTWUGOB-LBPRGKRZSA-N 0 1 308.382 1.580 20 5 DDBDMN O=C1NC(=O)[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])S1 ZINC001163671357 868613662 /nfs/dbraw/zinc/61/36/62/868613662.db2.gz COKCFUWVTADCTE-LLVKDONJSA-N 0 1 304.287 1.864 20 5 DDBDMN COCc1nn(-c2nc(C)cc(C)c2[N+](=O)[O-])c2c1CNC2 ZINC001165633042 869661635 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525051126 /nfs/dbraw/zinc/05/11/26/525051126.db2.gz IHTGYHOLFYGWIL-HTQZYQBOSA-N 0 1 305.381 1.027 20 5 DDBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000819895312 598131333 /nfs/dbraw/zinc/13/13/33/598131333.db2.gz FSJZAGZXHBEDBM-SNVBAGLBSA-N 0 1 318.333 1.900 20 5 DDBDMN COc1ccc(Oc2nccnc2-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000737111460 598336654 /nfs/dbraw/zinc/33/66/54/598336654.db2.gz NLQQNCMGABQSCZ-UHFFFAOYSA-N 0 1 315.249 1.366 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832972370 601507270 /nfs/dbraw/zinc/50/72/70/601507270.db2.gz ALLHYNPXTPBBFE-MNOVXSKESA-N 0 1 321.333 1.494 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832972370 601507271 /nfs/dbraw/zinc/50/72/71/601507271.db2.gz ALLHYNPXTPBBFE-MNOVXSKESA-N 0 1 321.333 1.494 20 5 DDBDMN C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000828473485 601817564 /nfs/dbraw/zinc/81/75/64/601817564.db2.gz 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CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000598038277 357437568 /nfs/dbraw/zinc/43/75/68/357437568.db2.gz BTUCKGFALKGHHX-NSHDSACASA-N 0 1 308.338 1.252 20 5 DDBDMN CC1(C)CC[C@H](CO)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000598648160 357669226 /nfs/dbraw/zinc/66/92/26/357669226.db2.gz OETAJHAZPZCUBO-CYBMUJFWSA-N 0 1 321.377 1.677 20 5 DDBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598646912 357669317 /nfs/dbraw/zinc/66/93/17/357669317.db2.gz AVPAXNZJYHFJBK-MFKMUULPSA-N 0 1 307.350 1.144 20 5 DDBDMN O=[N+]([O-])c1cc2c(nc1NCCN1CC[C@H](O)C1)CCCC2 ZINC000599200085 357847284 /nfs/dbraw/zinc/84/72/84/357847284.db2.gz WBICNJDUHNCKKS-LBPRGKRZSA-N 0 1 306.366 1.347 20 5 DDBDMN CC[C@H]1CCC[C@@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599259251 357865143 /nfs/dbraw/zinc/86/51/43/357865143.db2.gz XHVNVAJJGAQUJG-IUCAKERBSA-N 0 1 302.356 1.185 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C3CC3)CCC2)n1 ZINC000599264939 357867962 /nfs/dbraw/zinc/86/79/62/357867962.db2.gz HBTSUVRKWWGGQH-UHFFFAOYSA-N 0 1 314.367 1.187 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC2(C)C)n1 ZINC000599253573 357862772 /nfs/dbraw/zinc/86/27/72/357862772.db2.gz MYKULYFTKCEIQK-VIFPVBQESA-N 0 1 302.356 1.185 20 5 DDBDMN C[N@H+]1CCCC[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000600315289 358194292 /nfs/dbraw/zinc/19/42/92/358194292.db2.gz RIPICEORUXCKEG-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN CC(C)c1ccc(C(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808444 358320299 /nfs/dbraw/zinc/32/02/99/358320299.db2.gz OOJZQKWVUDNHGG-ZDUSSCGKSA-N 0 1 321.377 1.515 20 5 DDBDMN C[C@]12CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000602933464 359303346 /nfs/dbraw/zinc/30/33/46/359303346.db2.gz DGUOCFJVLKOXMI-HUUCEWRRSA-N 0 1 321.308 1.219 20 5 DDBDMN CCN1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000603142366 359430720 /nfs/dbraw/zinc/43/07/20/359430720.db2.gz JWNOAYVBCHYCKF-TXEJJXNPSA-N 0 1 323.397 1.431 20 5 DDBDMN CCOc1cc(Cn2cc([C@H](C)NC)nn2)ccc1[N+](=O)[O-] ZINC000603236047 359504264 /nfs/dbraw/zinc/50/42/64/359504264.db2.gz HYXMXHASYWLWQC-JTQLQIEISA-N 0 1 305.338 1.914 20 5 DDBDMN Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604227456 359728297 /nfs/dbraw/zinc/72/82/97/359728297.db2.gz DPQTWYMQQVFGJN-LBPRGKRZSA-N 0 1 320.349 1.052 20 5 DDBDMN Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604227456 359728301 /nfs/dbraw/zinc/72/83/01/359728301.db2.gz DPQTWYMQQVFGJN-LBPRGKRZSA-N 0 1 320.349 1.052 20 5 DDBDMN Cc1n[nH]c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000609663044 360342005 /nfs/dbraw/zinc/34/20/05/360342005.db2.gz RAJVQWWNNOUODZ-UHFFFAOYSA-N 0 1 304.306 1.744 20 5 DDBDMN COc1ccccc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610211901 360391129 /nfs/dbraw/zinc/39/11/29/360391129.db2.gz HFOSCRHRAHLZBS-UHFFFAOYSA-N 0 1 323.330 1.477 20 5 DDBDMN Cc1ccncc1[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000611292271 360691310 /nfs/dbraw/zinc/69/13/10/360691310.db2.gz BNJQAHILDQXCNF-SNVBAGLBSA-N 0 1 322.346 1.733 20 5 DDBDMN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C ZINC000611204917 360658721 /nfs/dbraw/zinc/65/87/21/360658721.db2.gz IGWNGUWIMGOEFD-UHFFFAOYSA-N 0 1 322.365 1.334 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000611355460 360704854 /nfs/dbraw/zinc/70/48/54/360704854.db2.gz ADZXMADYKYLPGG-VXGBXAGGSA-N 0 1 322.365 1.905 20 5 DDBDMN Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000292713164 223213252 /nfs/dbraw/zinc/21/32/52/223213252.db2.gz SVHQUAJLFACGAS-VXGBXAGGSA-N 0 1 311.357 1.934 20 5 DDBDMN Cc1cccc(C(=O)NC[C@@H]2CN3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874032 364170413 /nfs/dbraw/zinc/17/04/13/364170413.db2.gz WWHKUUKURIORCJ-CYBMUJFWSA-N 0 1 318.377 1.023 20 5 DDBDMN C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000274925101 212037863 /nfs/dbraw/zinc/03/78/63/212037863.db2.gz MBFDLYUVHBXNLI-JTQLQIEISA-N 0 1 305.334 1.681 20 5 DDBDMN CN(C)CCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000035084453 182751655 /nfs/dbraw/zinc/75/16/55/182751655.db2.gz NSPWKICOHFGXSC-UHFFFAOYSA-N 0 1 301.368 1.362 20 5 DDBDMN O=[N+]([O-])c1ccc(CN(CCO)CCOCC(F)(F)F)cc1 ZINC000078671289 285112015 /nfs/dbraw/zinc/11/20/15/285112015.db2.gz KJFMKEGLYJGKDF-UHFFFAOYSA-N 0 1 322.283 1.968 20 5 DDBDMN CC[C@H](CCO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000158327614 197262169 /nfs/dbraw/zinc/26/21/69/197262169.db2.gz FHYVDTVPLRIIJS-SECBINFHSA-N 0 1 320.342 1.421 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CCC(c3c[nH]cn3)CC2)c1[N+](=O)[O-] ZINC000434283769 533659922 /nfs/dbraw/zinc/65/99/22/533659922.db2.gz STKILXUDDQYOHU-UHFFFAOYSA-N 0 1 304.310 1.369 20 5 DDBDMN Cc1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000353035907 285472914 /nfs/dbraw/zinc/47/29/14/285472914.db2.gz PRXIVEOLPJPGQO-NSHDSACASA-N 0 1 312.391 1.959 20 5 DDBDMN [NH3+]C1CC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000036265753 406978542 /nfs/dbraw/zinc/97/85/42/406978542.db2.gz LIOFZKPWRHZSND-UHFFFAOYSA-N 0 1 305.743 1.016 20 5 DDBDMN O=C(NCC1(CCO)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122360471 407298377 /nfs/dbraw/zinc/29/83/77/407298377.db2.gz NNOVJRWSGVFTDI-UHFFFAOYSA-N 0 1 318.333 1.754 20 5 DDBDMN CN1CCCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000097617542 407300659 /nfs/dbraw/zinc/30/06/59/407300659.db2.gz KRKGXHISKMZGEA-UHFFFAOYSA-N 0 1 318.377 1.947 20 5 DDBDMN COCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201584 407333924 /nfs/dbraw/zinc/33/39/24/407333924.db2.gz RYRJYXGOSBEDGT-UHFFFAOYSA-N 0 1 305.294 1.745 20 5 DDBDMN CC[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000271010969 407466986 /nfs/dbraw/zinc/46/69/86/407466986.db2.gz ZSXFOQLZQMCTIK-HZMBPMFUSA-N 0 1 308.334 1.664 20 5 DDBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000271172142 407552970 /nfs/dbraw/zinc/55/29/70/407552970.db2.gz UKOQQQDONJIREQ-CMPLNLGQSA-N 0 1 307.350 1.875 20 5 DDBDMN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCC[C@H]1C(N)=O ZINC000271257747 407599548 /nfs/dbraw/zinc/59/95/48/407599548.db2.gz ALBJXMNCIBUMIF-LBPRGKRZSA-N 0 1 307.354 1.050 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](OCCO)C2)c1 ZINC000178862616 407629229 /nfs/dbraw/zinc/62/92/29/407629229.db2.gz KQMCAXPNUNQWHU-LSDHHAIUSA-N 0 1 310.350 1.102 20 5 DDBDMN CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CCN1CCOC ZINC000115517102 407687608 /nfs/dbraw/zinc/68/76/08/407687608.db2.gz PCIZZRZAIWXZTP-CYBMUJFWSA-N 0 1 308.382 1.845 20 5 DDBDMN Cc1ccnc(N2CCN(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000267018318 407718303 /nfs/dbraw/zinc/71/83/03/407718303.db2.gz ILARGIXTSBJEJB-UHFFFAOYSA-N 0 1 306.366 1.599 20 5 DDBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000186654349 407733277 /nfs/dbraw/zinc/73/32/77/407733277.db2.gz WXFHXRVTENVDJW-UFBFGSQYSA-N 0 1 304.306 1.314 20 5 DDBDMN C[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1 ZINC000179178766 407742901 /nfs/dbraw/zinc/74/29/01/407742901.db2.gz VDEKJCFCRMDAFW-NSHDSACASA-N 0 1 315.333 1.214 20 5 DDBDMN O=C(NCc1ccnc(OC2CCC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000134351706 407895824 /nfs/dbraw/zinc/89/58/24/407895824.db2.gz MLILGNIAJKWAAD-UHFFFAOYSA-N 0 1 317.305 1.574 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000272539266 407971075 /nfs/dbraw/zinc/97/10/75/407971075.db2.gz CNZUBBSNKKNOQF-UHFFFAOYSA-N 0 1 323.353 1.134 20 5 DDBDMN CCCCCN(CCOc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000272555161 407982286 /nfs/dbraw/zinc/98/22/86/407982286.db2.gz LDNRGZZSHRMJBB-UHFFFAOYSA-N 0 1 309.366 1.951 20 5 DDBDMN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154464308 408038252 /nfs/dbraw/zinc/03/82/52/408038252.db2.gz UIODTKGWPISSPQ-UKRRQHHQSA-N 0 1 322.361 1.903 20 5 DDBDMN Cc1cc(N2CCN(C)C(=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181505854 408004672 /nfs/dbraw/zinc/00/46/72/408004672.db2.gz DWBQSFFPTWTWOH-UHFFFAOYSA-N 0 1 300.318 1.730 20 5 DDBDMN O=C(N[C@H]1CC[C@H](O)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000245518902 408006535 /nfs/dbraw/zinc/00/65/35/408006535.db2.gz AWAKKMZLBXLAQL-CZMCAQCFSA-N 0 1 304.306 1.504 20 5 DDBDMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000119247519 408020465 /nfs/dbraw/zinc/02/04/65/408020465.db2.gz ICOLOKMEFWGPPI-OLZOCXBDSA-N 0 1 319.361 1.857 20 5 DDBDMN O=C1NCCCC[C@@H]1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245857470 408079350 /nfs/dbraw/zinc/07/93/50/408079350.db2.gz KIGOKQIOSAHHMD-YPMHNXCESA-N 0 1 319.365 1.145 20 5 DDBDMN C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000190348788 408226392 /nfs/dbraw/zinc/22/63/92/408226392.db2.gz KMNGYYFUMPTGDA-IAQYHMDHSA-N 0 1 319.361 1.187 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000269350270 408279586 /nfs/dbraw/zinc/27/95/86/408279586.db2.gz GHKIUVQBLMNEFG-UHFFFAOYSA-N 0 1 306.326 1.447 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000183435861 408410760 /nfs/dbraw/zinc/41/07/60/408410760.db2.gz IWDGFWQQMAKTDE-VIFPVBQESA-N 0 1 304.310 1.292 20 5 DDBDMN COCC[N@@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C ZINC000160441740 408484008 /nfs/dbraw/zinc/48/40/08/408484008.db2.gz BNMOWJRTODADIW-NSHDSACASA-N 0 1 323.349 1.093 20 5 DDBDMN COCC[N@H+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C ZINC000160441740 408484017 /nfs/dbraw/zinc/48/40/17/408484017.db2.gz BNMOWJRTODADIW-NSHDSACASA-N 0 1 323.349 1.093 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000264466505 408502137 /nfs/dbraw/zinc/50/21/37/408502137.db2.gz STLVATGGRQCWNE-SNVBAGLBSA-N 0 1 312.395 1.022 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC[C@H]21 ZINC000247412570 408467101 /nfs/dbraw/zinc/46/71/01/408467101.db2.gz JOXCEODEKHVPQP-WCQYABFASA-N 0 1 319.361 1.857 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000264393810 408471158 /nfs/dbraw/zinc/47/11/58/408471158.db2.gz KTJQBGOKCDUECQ-SNVBAGLBSA-N 0 1 324.410 1.352 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000184317640 408589817 /nfs/dbraw/zinc/58/98/17/408589817.db2.gz WHENMPWXSJGCIR-UHFFFAOYSA-N 0 1 305.334 1.611 20 5 DDBDMN CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000192513833 408600167 /nfs/dbraw/zinc/60/01/67/408600167.db2.gz LWMMCXVSDPHWGD-UHFFFAOYSA-N 0 1 308.338 1.298 20 5 DDBDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000249207053 408704935 /nfs/dbraw/zinc/70/49/35/408704935.db2.gz RZNKRRCBRKISND-BIMULSAOSA-N 0 1 316.317 1.768 20 5 DDBDMN O=C(C[C@@H]1COCCN1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000285858252 408877209 /nfs/dbraw/zinc/87/72/09/408877209.db2.gz YNKYRCJRXWLRHQ-CQSZACIVSA-N 0 1 321.377 1.412 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280838637 408844315 /nfs/dbraw/zinc/84/43/15/408844315.db2.gz UOUMXPVSBYJJJB-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN[C@]2(CO)CCOc3ccccc32)c1 ZINC000281593393 408893762 /nfs/dbraw/zinc/89/37/62/408893762.db2.gz FFZHGHGKWZYALT-HNNXBMFYSA-N 0 1 318.333 1.051 20 5 DDBDMN CCS(=O)(=O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884424 163350944 /nfs/dbraw/zinc/35/09/44/163350944.db2.gz HEOCYYWIWBIMKV-JTQLQIEISA-N 0 1 300.380 1.816 20 5 DDBDMN COc1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282209803 409011255 /nfs/dbraw/zinc/01/12/55/409011255.db2.gz XWAPLHJJVKLTEZ-OLZOCXBDSA-N 0 1 323.393 1.490 20 5 DDBDMN O=c1cc(CN2C[C@@H](O)[C@@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000278954119 409120833 /nfs/dbraw/zinc/12/08/33/409120833.db2.gz ZAOXYUDFPXFJJS-GASCZTMLSA-N 0 1 311.337 1.484 20 5 DDBDMN CC(=O)c1cc(N2CCCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000283848884 409227221 /nfs/dbraw/zinc/22/72/21/409227221.db2.gz TZEIAKMPUQHQHW-UHFFFAOYSA-N 0 1 307.350 1.302 20 5 DDBDMN C[C@H](CCO)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295303474 409423005 /nfs/dbraw/zinc/42/30/05/409423005.db2.gz FFIQQGGOSBHKAY-VIFPVBQESA-N 0 1 306.322 1.610 20 5 DDBDMN CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000408326343 164298342 /nfs/dbraw/zinc/29/83/42/164298342.db2.gz LJDUJCLJORFMBF-YGRLFVJLSA-N 0 1 324.337 1.036 20 5 DDBDMN O=C(N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356743108 409563649 /nfs/dbraw/zinc/56/36/49/409563649.db2.gz WOLUPONIAAHSOM-OCCSQVGLSA-N 0 1 319.317 1.087 20 5 DDBDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331513500 409585674 /nfs/dbraw/zinc/58/56/74/409585674.db2.gz NEDLVYIHIDEJJT-TVQRCGJNSA-N 0 1 305.334 1.513 20 5 DDBDMN CCn1cnnc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516097 409589616 /nfs/dbraw/zinc/58/96/16/409589616.db2.gz COKCQNQPVYIVGN-NWDGAFQWSA-N 0 1 319.369 1.676 20 5 DDBDMN CCn1cnnc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516104 409590000 /nfs/dbraw/zinc/59/00/00/409590000.db2.gz COKCQNQPVYIVGN-VXGBXAGGSA-N 0 1 319.369 1.676 20 5 DDBDMN CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000354154778 409703190 /nfs/dbraw/zinc/70/31/90/409703190.db2.gz ZHWNXNSHHADZAO-SNVBAGLBSA-N 0 1 323.353 1.040 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881926 409689178 /nfs/dbraw/zinc/68/91/78/409689178.db2.gz PEFAAVVSPYXNIO-VHSXEESVSA-N 0 1 309.370 1.435 20 5 DDBDMN Cc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000356990444 409772508 /nfs/dbraw/zinc/77/25/08/409772508.db2.gz UAZIGQQDOUSLTN-UHFFFAOYSA-N 0 1 302.290 1.637 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@](C)(C(N)=O)C(C)C ZINC000297698059 409962995 /nfs/dbraw/zinc/96/29/95/409962995.db2.gz QGGPTIXWNQTNCG-OAHLLOKOSA-N 0 1 322.365 1.331 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000342987745 410056646 /nfs/dbraw/zinc/05/66/46/410056646.db2.gz IDQWELHDMGVMKD-VIFPVBQESA-N 0 1 303.322 1.695 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H](n2cncn2)C1 ZINC000332369874 410103869 /nfs/dbraw/zinc/10/38/69/410103869.db2.gz WRTFLZNIJALVSM-LBPRGKRZSA-N 0 1 303.322 1.729 20 5 DDBDMN CC[C@@H]1[C@H](CO)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000332650421 410192607 /nfs/dbraw/zinc/19/26/07/410192607.db2.gz LHDAPMFQWYLBJQ-VHSXEESVSA-N 0 1 310.354 1.674 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1NC1CCN(Cc2ccncc2)CC1 ZINC000298686235 410347348 /nfs/dbraw/zinc/34/73/48/410347348.db2.gz AYYKAALWCYWNBF-UHFFFAOYSA-N 0 1 316.365 1.800 20 5 DDBDMN CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301112193 410657716 /nfs/dbraw/zinc/65/77/16/410657716.db2.gz ONKOZEAHQBABQK-UHFFFAOYSA-N 0 1 318.377 1.583 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCO)Cc1ccccc1 ZINC000337260680 410678734 /nfs/dbraw/zinc/67/87/34/410678734.db2.gz WSNRKCAFBNLBMZ-UHFFFAOYSA-N 0 1 316.313 1.935 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCNC1=O ZINC000340217360 410760762 /nfs/dbraw/zinc/76/07/62/410760762.db2.gz BGJAXGRVDNRRMK-ZDUSSCGKSA-N 0 1 320.349 1.052 20 5 DDBDMN CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000330555469 410771251 /nfs/dbraw/zinc/77/12/51/410771251.db2.gz GWHFKEASBWGZBZ-MNOVXSKESA-N 0 1 307.350 1.855 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600204 410813741 /nfs/dbraw/zinc/81/37/41/410813741.db2.gz FQIZJXFWBXMKHV-VHSXEESVSA-N 0 1 309.370 1.435 20 5 DDBDMN COC[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344013508 410893492 /nfs/dbraw/zinc/89/34/92/410893492.db2.gz VRTHTKPBBFCRTA-NSHDSACASA-N 0 1 304.306 1.305 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000331115288 410957003 /nfs/dbraw/zinc/95/70/03/410957003.db2.gz DGJDOWXLLVNHGT-OAHLLOKOSA-N 0 1 305.378 1.936 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000331115288 410957006 /nfs/dbraw/zinc/95/70/06/410957006.db2.gz DGJDOWXLLVNHGT-OAHLLOKOSA-N 0 1 305.378 1.936 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@](CC)(CO)C2)c1[N+](=O)[O-] ZINC000331158497 410985291 /nfs/dbraw/zinc/98/52/91/410985291.db2.gz DSPQDQQSUIBKDV-AWEZNQCLSA-N 0 1 310.354 1.505 20 5 DDBDMN O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000360230050 411107450 /nfs/dbraw/zinc/10/74/50/411107450.db2.gz LWPNGCKTUZAONB-QWHCGFSZSA-N 0 1 306.366 1.903 20 5 DDBDMN C[C@H](C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000580084017 422885110 /nfs/dbraw/zinc/88/51/10/422885110.db2.gz KGEGWXITNMRGCW-SECBINFHSA-N 0 1 320.305 1.797 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)n1 ZINC000191856451 222109558 /nfs/dbraw/zinc/10/95/58/222109558.db2.gz WLFQFPOCOOJDLY-MRVPVSSYSA-N 0 1 306.326 1.204 20 5 DDBDMN CC(C)(CCc1noc(CCCCc2cn[nH]n2)n1)[N+](=O)[O-] ZINC000291030680 222085003 /nfs/dbraw/zinc/08/50/03/222085003.db2.gz DZDDWLWIUPFAPZ-UHFFFAOYSA-N 0 1 308.342 1.741 20 5 DDBDMN Cc1nnc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1 ZINC000291349519 222332260 /nfs/dbraw/zinc/33/22/60/222332260.db2.gz XJJMHLMQIKSQDZ-UHFFFAOYSA-N 0 1 308.319 1.433 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000368172997 418698934 /nfs/dbraw/zinc/69/89/34/418698934.db2.gz INOYLEXIXKUQFT-NSHDSACASA-N 0 1 322.365 1.769 20 5 DDBDMN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000388817895 418748149 /nfs/dbraw/zinc/74/81/49/418748149.db2.gz DSFZBUUEBFDVBP-NSHDSACASA-N 0 1 307.350 1.761 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2nc[nH]n2)CC1 ZINC000371924077 418825363 /nfs/dbraw/zinc/82/53/63/418825363.db2.gz XECMAHGBYHCTTD-UHFFFAOYSA-N 0 1 315.333 1.662 20 5 DDBDMN C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000372783879 418901579 /nfs/dbraw/zinc/90/15/79/418901579.db2.gz KMJAJUDWAWNRGL-XHVZSJERSA-N 0 1 301.306 1.110 20 5 DDBDMN C[C@@H]1C[C@@H](CO)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000421931360 419777973 /nfs/dbraw/zinc/77/79/73/419777973.db2.gz DUJZNOZNFIGGND-NXEZZACHSA-N 0 1 318.333 1.562 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000421972136 419791794 /nfs/dbraw/zinc/79/17/94/419791794.db2.gz NDWXMKZBXDHPKK-UWVGGRQHSA-N 0 1 310.354 1.361 20 5 DDBDMN CNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430237706 420094962 /nfs/dbraw/zinc/09/49/62/420094962.db2.gz PKCYTMKOQBPCKU-LBPRGKRZSA-N 0 1 307.350 1.561 20 5 DDBDMN Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000415557535 420110038 /nfs/dbraw/zinc/11/00/38/420110038.db2.gz JBVKZTCPKYLGBU-GHMZBOCLSA-N 0 1 320.349 1.051 20 5 DDBDMN O=C([C@H]1CNCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720529 420140888 /nfs/dbraw/zinc/14/08/88/420140888.db2.gz HLQPJPOJBUWIDE-CQSZACIVSA-N 0 1 305.334 1.074 20 5 DDBDMN CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420740720 420374663 /nfs/dbraw/zinc/37/46/63/420374663.db2.gz RVLJXDFMYDXACA-LBPRGKRZSA-N 0 1 313.379 1.310 20 5 DDBDMN O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCN1CC=CCC1 ZINC000492360628 420534266 /nfs/dbraw/zinc/53/42/66/420534266.db2.gz ACFCCODOJHHAJV-HJWRWDBZSA-N 0 1 301.346 1.986 20 5 DDBDMN CC1(F)CC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000451632682 420604315 /nfs/dbraw/zinc/60/43/15/420604315.db2.gz OTDKXDQIZPXPSI-UHFFFAOYSA-N 0 1 306.290 1.903 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488934214 421126381 /nfs/dbraw/zinc/12/63/81/421126381.db2.gz NDBNLGAOQNTYTF-UHFFFAOYSA-N 0 1 318.268 1.754 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000456362495 421149915 /nfs/dbraw/zinc/14/99/15/421149915.db2.gz WPZUVFKJQZKYPL-LBPRGKRZSA-N 0 1 309.370 1.124 20 5 DDBDMN Nc1cc2c(nn1)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000549414586 421500259 /nfs/dbraw/zinc/50/02/59/421500259.db2.gz RIUJUVWZMASFBA-UHFFFAOYSA-N 0 1 301.306 1.231 20 5 DDBDMN CC(C)n1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nn1 ZINC000563402437 421502347 /nfs/dbraw/zinc/50/23/47/421502347.db2.gz PPDVSMOASGEKJG-UHFFFAOYSA-N 0 1 305.294 1.403 20 5 DDBDMN CC[C@@H](C)[N@@H+](C)CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567474673 421612278 /nfs/dbraw/zinc/61/22/78/421612278.db2.gz NOXBFLCEFLDBRL-SNVBAGLBSA-N 0 1 310.354 2.139 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)c2nc(C)no2)c1[N+](=O)[O-] ZINC000517758114 421628136 /nfs/dbraw/zinc/62/81/36/421628136.db2.gz YCLAYBASTNEATI-ZCFIWIBFSA-N 0 1 308.298 1.405 20 5 DDBDMN Cc1ccnc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000555414202 421678223 /nfs/dbraw/zinc/67/82/23/421678223.db2.gz DRIKUYBPQUWLMK-UHFFFAOYSA-N 0 1 308.319 1.172 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000571884970 421750661 /nfs/dbraw/zinc/75/06/61/421750661.db2.gz ZQCYNTSAPLXVCW-JTQLQIEISA-N 0 1 308.338 1.527 20 5 DDBDMN Cc1nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000572967070 421886502 /nfs/dbraw/zinc/88/65/02/421886502.db2.gz RPYDGUUBGNSDEG-SECBINFHSA-N 0 1 306.301 1.939 20 5 DDBDMN Cc1nnc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000572967070 421886508 /nfs/dbraw/zinc/88/65/08/421886508.db2.gz RPYDGUUBGNSDEG-SECBINFHSA-N 0 1 306.301 1.939 20 5 DDBDMN Cc1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000572967077 421887536 /nfs/dbraw/zinc/88/75/36/421887536.db2.gz RPYDGUUBGNSDEG-VIFPVBQESA-N 0 1 306.301 1.939 20 5 DDBDMN Cc1nnc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000572967077 421887542 /nfs/dbraw/zinc/88/75/42/421887542.db2.gz RPYDGUUBGNSDEG-VIFPVBQESA-N 0 1 306.301 1.939 20 5 DDBDMN O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000582237631 422137280 /nfs/dbraw/zinc/13/72/80/422137280.db2.gz HECHHIQVPPXEHB-NSHDSACASA-N 0 1 316.321 1.412 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3)c1[N+](=O)[O-] ZINC000600272596 422410230 /nfs/dbraw/zinc/41/02/30/422410230.db2.gz ZICYYCJBEQDIBR-BDAKNGLRSA-N 0 1 310.379 1.990 20 5 DDBDMN COCC[C@@H](Cc1ccco1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345321729 272219411 /nfs/dbraw/zinc/21/94/11/272219411.db2.gz OMPGEWMYSBKQTA-VIFPVBQESA-N 0 1 308.294 1.289 20 5 DDBDMN CCN1CCC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000331225060 276178598 /nfs/dbraw/zinc/17/85/98/276178598.db2.gz XLPFUVDJYLDVTB-JTQLQIEISA-N 0 1 309.370 1.655 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000284896891 295254497 /nfs/dbraw/zinc/25/44/97/295254497.db2.gz HHRAINCVHLNRLZ-LSDHHAIUSA-N 0 1 307.350 1.513 20 5 DDBDMN COC(=O)C[C@@]1(NCc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000361728442 299926342 /nfs/dbraw/zinc/92/63/42/299926342.db2.gz KIKJJAZEJGUMOQ-HNNXBMFYSA-N 0 1 308.334 1.715 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC3(C2)CCCOC3)c1 ZINC000368565357 301053508 /nfs/dbraw/zinc/05/35/08/301053508.db2.gz COJQOQKIVLEFHA-CQSZACIVSA-N 0 1 322.361 1.447 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000368996204 301117907 /nfs/dbraw/zinc/11/79/07/301117907.db2.gz RROBOLXBRLFLDC-HZSPNIEDSA-N 0 1 323.393 1.293 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)n1 ZINC000377791133 302233853 /nfs/dbraw/zinc/23/38/53/302233853.db2.gz ZDLPFZIAUNBWFZ-TZMCWYRMSA-N 0 1 306.366 1.825 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000378565349 302336257 /nfs/dbraw/zinc/33/62/57/302336257.db2.gz JJPLNQVTGJBGHX-QWRGUYRKSA-N 0 1 301.306 1.175 20 5 DDBDMN O=C(NCc1noc(-c2ccccc2F)n1)[C@H]1CC1[N+](=O)[O-] ZINC000366160383 307068712 /nfs/dbraw/zinc/06/87/12/307068712.db2.gz RSKBDKNWBIUGAL-WPRPVWTQSA-N 0 1 306.253 1.157 20 5 DDBDMN Cc1nnc([C@@H]2CC23CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)o1 ZINC000370861837 307138635 /nfs/dbraw/zinc/13/86/35/307138635.db2.gz YKZBLKKIUJQDHT-OUAUKWLOSA-N 0 1 306.322 1.139 20 5 DDBDMN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000377103213 307262855 /nfs/dbraw/zinc/26/28/55/307262855.db2.gz ZZGTWWVWTBBCML-KGFZYKRKSA-N 0 1 306.253 1.709 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2ncccn2)CC1 ZINC000505877104 307398504 /nfs/dbraw/zinc/39/85/04/307398504.db2.gz PTSGSFNSNJMEPW-UHFFFAOYSA-N 0 1 315.333 1.413 20 5 DDBDMN C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000567624367 308087178 /nfs/dbraw/zinc/08/71/78/308087178.db2.gz NANWJVKSLOKUHE-UHFFFAOYSA-N 0 1 307.398 1.742 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)NCC(F)F ZINC000568156341 308108651 /nfs/dbraw/zinc/10/86/51/308108651.db2.gz AGWSZHZAECJCKY-VIFPVBQESA-N 0 1 301.293 1.935 20 5 DDBDMN COC(=O)Cn1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000450493711 533832132 /nfs/dbraw/zinc/83/21/32/533832132.db2.gz FVXVTMDPWBWTSM-UHFFFAOYSA-N 0 1 306.282 1.115 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000295590746 534336169 /nfs/dbraw/zinc/33/61/69/534336169.db2.gz WMLXICCTHVVEFC-CYBMUJFWSA-N 0 1 321.377 1.480 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H](O)C1 ZINC000294403833 534654040 /nfs/dbraw/zinc/65/40/40/534654040.db2.gz OVUBYMVUJCURCK-LBPRGKRZSA-N 0 1 316.317 1.582 20 5 DDBDMN CC(C)(O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000319176946 527345388 /nfs/dbraw/zinc/34/53/88/527345388.db2.gz IYBXYUHZLDMAMG-UHFFFAOYSA-N 0 1 311.357 1.622 20 5 DDBDMN C[C@H](C[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000736583201 600685244 /nfs/dbraw/zinc/68/52/44/600685244.db2.gz LOALSNDMDMETEW-GFCCVEGCSA-N 0 1 318.333 1.972 20 5 DDBDMN C[C@H](C[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000736583201 600685245 /nfs/dbraw/zinc/68/52/45/600685245.db2.gz LOALSNDMDMETEW-GFCCVEGCSA-N 0 1 318.333 1.972 20 5 DDBDMN C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C(=O)[O-] ZINC000828457067 601500370 /nfs/dbraw/zinc/50/03/70/601500370.db2.gz QKIJASLPHZPOFA-ZANVPECISA-N 0 1 322.317 1.614 20 5 DDBDMN O=C([O-])NC[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000740645152 601935309 /nfs/dbraw/zinc/93/53/09/601935309.db2.gz WLBGREBDGVPKFR-LLVKDONJSA-N 0 1 309.322 1.563 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000832905958 601954098 /nfs/dbraw/zinc/95/40/98/601954098.db2.gz ZVTAGOQJNWIZSM-OAHLLOKOSA-N 0 1 321.333 1.638 20 5 DDBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)[O-] ZINC000738637768 603252461 /nfs/dbraw/zinc/25/24/61/603252461.db2.gz LFWOAKJSQFTFII-JTQLQIEISA-N 0 1 324.337 1.511 20 5 DDBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)[O-] ZINC000738637768 603252462 /nfs/dbraw/zinc/25/24/62/603252462.db2.gz LFWOAKJSQFTFII-JTQLQIEISA-N 0 1 324.337 1.511 20 5 DDBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000825263220 604212026 /nfs/dbraw/zinc/21/20/26/604212026.db2.gz FOYSTCLQFLZMFD-WDEREUQCSA-N 0 1 311.342 1.159 20 5 DDBDMN O=C([O-])N1CCC2(CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000834094388 605901884 /nfs/dbraw/zinc/90/18/84/605901884.db2.gz RIAZHBRUOAEZNI-UHFFFAOYSA-N 0 1 323.353 1.257 20 5 DDBDMN CC(C)OC(=O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104434485 696620179 /nfs/dbraw/zinc/62/01/79/696620179.db2.gz SJJXGDOXWIWKJY-UHFFFAOYSA-N 0 1 306.278 1.153 20 5 DDBDMN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124206754 696740355 /nfs/dbraw/zinc/74/03/55/696740355.db2.gz HDOLJHHYWLKOFY-VIFPVBQESA-N 0 1 319.358 1.386 20 5 DDBDMN C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000129771800 696791545 /nfs/dbraw/zinc/79/15/45/696791545.db2.gz 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C[C@@H](CNC(=O)c1cccnc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000761504089 700862077 /nfs/dbraw/zinc/86/20/77/700862077.db2.gz ZLDXCIRSNUXGAU-VIFPVBQESA-N 0 1 318.289 1.293 20 5 DDBDMN O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000765395041 701009732 /nfs/dbraw/zinc/00/97/32/701009732.db2.gz CEBKAIMDRFJZAK-GTNGPMTGSA-N 0 1 314.392 1.427 20 5 DDBDMN Cc1ccc(CN2CCC(C(=O)NCCO)CC2)cc1[N+](=O)[O-] ZINC000768317351 701168560 /nfs/dbraw/zinc/16/85/60/701168560.db2.gz KKOSHEUAKCNDDU-UHFFFAOYSA-N 0 1 321.377 1.224 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000769304778 701240186 /nfs/dbraw/zinc/24/01/86/701240186.db2.gz FJQHKLCQISVZRD-LLVKDONJSA-N 0 1 308.334 1.885 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000839683535 701782499 /nfs/dbraw/zinc/78/24/99/701782499.db2.gz CXIPYKFDHHHUEF-VXGBXAGGSA-N 0 1 324.768 1.044 20 5 DDBDMN COc1cc(OC)cc(OCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839699066 701788420 /nfs/dbraw/zinc/78/84/20/701788420.db2.gz JNCZGCXBXYIGGZ-ZIAGYGMSSA-N 0 1 324.333 1.254 20 5 DDBDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697652 701788436 /nfs/dbraw/zinc/78/84/36/701788436.db2.gz YJUZIMFZEITVJD-WHFAQHPISA-N 0 1 310.375 1.609 20 5 DDBDMN O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839697802 701788771 /nfs/dbraw/zinc/78/87/71/701788771.db2.gz VBYPYIJNLMVVFY-PHDIDXHHSA-N 0 1 309.269 1.486 20 5 DDBDMN COCCOCCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701076 701789608 /nfs/dbraw/zinc/78/96/08/701789608.db2.gz KJFLLXMNFWNYNU-HUUCEWRRSA-N 0 1 322.361 1.343 20 5 DDBDMN COc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1OC ZINC000839771521 701820559 /nfs/dbraw/zinc/82/05/59/701820559.db2.gz SBCVRXCQBMZXPO-MVWJERBFSA-N 0 1 308.334 1.855 20 5 DDBDMN Cc1nc([C@@H](C)OC(=O)COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000839974621 701885636 /nfs/dbraw/zinc/88/56/36/701885636.db2.gz RJMCVEPYBOIKIT-MRVPVSSYSA-N 0 1 306.278 1.705 20 5 DDBDMN Cc1nc([C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000840284924 702055197 /nfs/dbraw/zinc/05/51/97/702055197.db2.gz NLVWBASCNSFLQD-RXMQYKEDSA-N 0 1 309.257 1.661 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000840670644 702194117 /nfs/dbraw/zinc/19/41/17/702194117.db2.gz UGQUJLZXXLUETG-BCMRRPTOSA-N 0 1 303.274 1.343 20 5 DDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC000840671939 702194926 /nfs/dbraw/zinc/19/49/26/702194926.db2.gz HOQVSCYUJYHJDD-CHWSQXEVSA-N 0 1 304.302 1.322 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000840673126 702198009 /nfs/dbraw/zinc/19/80/09/702198009.db2.gz HTTHORFZRYFCGU-WHGOUJPWSA-N 0 1 323.261 1.130 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1(c2ccccc2)CC1 ZINC000840673641 702198082 /nfs/dbraw/zinc/19/80/82/702198082.db2.gz WQTKGBIZOLRRME-RAIGVLPGSA-N 0 1 303.314 1.884 20 5 DDBDMN Cn1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C(F)F)n1 ZINC000813202190 702311310 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O=[N+]([O-])c1cccc([C@@H](O)CNCc2n[nH]c(C3CC3)n2)c1 ZINC000819341953 704110622 /nfs/dbraw/zinc/11/06/22/704110622.db2.gz VBGSQTHXUGGRMG-LBPRGKRZSA-N 0 1 303.322 1.414 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855640405 704494402 /nfs/dbraw/zinc/49/44/02/704494402.db2.gz WRAKBAPOUGWDDK-UHFFFAOYSA-N 0 1 311.313 1.133 20 5 DDBDMN CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2COC[C@@H]21 ZINC000832774716 706981273 /nfs/dbraw/zinc/98/12/73/706981273.db2.gz AFIBRHMTFNNLPY-ZNMIVQPWSA-N 0 1 306.362 1.985 20 5 DDBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861708573 705545649 /nfs/dbraw/zinc/54/56/49/705545649.db2.gz AZGKGERYDGYHCS-RYUDHWBXSA-N 0 1 323.324 1.015 20 5 DDBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861708573 705545650 /nfs/dbraw/zinc/54/56/50/705545650.db2.gz AZGKGERYDGYHCS-RYUDHWBXSA-N 0 1 323.324 1.015 20 5 DDBDMN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826962421 705901016 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TVJYGDFAFWBDRL-OAHLLOKOSA-N 0 1 310.350 1.577 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCOc3ncccc3C2)c1[N+](=O)[O-] ZINC000618242268 363541456 /nfs/dbraw/zinc/54/14/56/363541456.db2.gz ITEHNEPMBLEUAI-UHFFFAOYSA-N 0 1 317.305 1.310 20 5 DDBDMN CN(C(=O)CN[C@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595782513 356650598 /nfs/dbraw/zinc/65/05/98/356650598.db2.gz OPQDLZMFNXERAT-UONOGXRCSA-N 0 1 319.361 1.451 20 5 DDBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000596065649 356759446 /nfs/dbraw/zinc/75/94/46/356759446.db2.gz IMKDMBYZRBWYEY-YPMHNXCESA-N 0 1 320.349 1.419 20 5 DDBDMN COc1cc(N[C@H](C)CN2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000596123177 356781915 /nfs/dbraw/zinc/78/19/15/356781915.db2.gz LFJNYJXJESWWKG-CYBMUJFWSA-N 0 1 322.409 1.960 20 5 DDBDMN O=C([C@@H]1CCCc2n[nH]nc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000596717129 356959477 /nfs/dbraw/zinc/95/94/77/356959477.db2.gz XSKKHKCERRJOIG-LLVKDONJSA-N 0 1 313.317 1.722 20 5 DDBDMN COCc1nc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 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/nfs/dbraw/zinc/32/68/34/359326834.db2.gz QSOCOIRDQXFEQJ-CQSZACIVSA-N 0 1 324.768 1.942 20 5 DDBDMN CNC(C)(C)c1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603240229 359507148 /nfs/dbraw/zinc/50/71/48/359507148.db2.gz YSQFHSSHJKYJEW-UHFFFAOYSA-N 0 1 323.328 1.837 20 5 DDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC(N2CCOC[C@H]2C)CC1 ZINC000603402027 359617417 /nfs/dbraw/zinc/61/74/17/359617417.db2.gz LNTLALXWOAPWBU-CYBMUJFWSA-N 0 1 320.393 1.988 20 5 DDBDMN Cc1c(NC(=O)NCCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000280991164 216009401 /nfs/dbraw/zinc/00/94/01/216009401.db2.gz OMPLHMUSFURHFA-UHFFFAOYSA-N 0 1 304.310 1.776 20 5 DDBDMN CNS(=O)(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187172232 200071981 /nfs/dbraw/zinc/07/19/81/200071981.db2.gz QMLSGTTUXUVVMG-SNVBAGLBSA-N 0 1 301.368 1.103 20 5 DDBDMN CC[C@]1(CO)CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187592608 200132172 /nfs/dbraw/zinc/13/21/72/200132172.db2.gz FZHXHBZMTOXQAF-INIZCTEOSA-N 0 1 321.377 1.678 20 5 DDBDMN CC[C@@]1(CO)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189167324 200359531 /nfs/dbraw/zinc/35/95/31/200359531.db2.gz YBIWADKHUSXKDN-HNNXBMFYSA-N 0 1 318.333 1.848 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000609269645 360285618 /nfs/dbraw/zinc/28/56/18/360285618.db2.gz UHUZLFGDZFDJOD-ZDUSSCGKSA-N 0 1 321.377 1.744 20 5 DDBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH]nn1 ZINC000610486894 360448344 /nfs/dbraw/zinc/44/83/44/360448344.db2.gz WDXTWXNMDHURRY-MRVPVSSYSA-N 0 1 307.335 1.510 20 5 DDBDMN CC[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000611287539 360689900 /nfs/dbraw/zinc/68/99/00/360689900.db2.gz HFCOGYMXJSLJBM-GXFFZTMASA-N 0 1 308.334 1.569 20 5 DDBDMN C[C@H](c1ccccc1)[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000611508317 360741235 /nfs/dbraw/zinc/74/12/35/360741235.db2.gz AWEPPPPWEGRUPC-KOLCDFICSA-N 0 1 304.306 1.212 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359095701 299327332 /nfs/dbraw/zinc/32/73/32/299327332.db2.gz ALWIIJPENUUOOE-RNCFNFMXSA-N 0 1 322.317 1.714 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOCC12CC2 ZINC000619821532 364160520 /nfs/dbraw/zinc/16/05/20/364160520.db2.gz NPAVFRIANPNFIW-UHFFFAOYSA-N 0 1 302.290 1.476 20 5 DDBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCN1 ZINC000275499870 212375444 /nfs/dbraw/zinc/37/54/44/212375444.db2.gz DJBQKHXQIFQIKB-JTQLQIEISA-N 0 1 300.318 1.577 20 5 DDBDMN [NH3+]C1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000359281847 299393755 /nfs/dbraw/zinc/39/37/55/299393755.db2.gz RLJZRRYXKGPFHY-UHFFFAOYSA-N 0 1 305.743 1.016 20 5 DDBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000282866186 217287648 /nfs/dbraw/zinc/28/76/48/217287648.db2.gz IBLFCARQBJSKOL-VIFPVBQESA-N 0 1 317.305 1.026 20 5 DDBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000161328725 197485714 /nfs/dbraw/zinc/48/57/14/197485714.db2.gz DGYVKLJAMQFJFT-QMMMGPOBSA-N 0 1 303.322 1.570 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2nnc[nH]2)c1 ZINC000338575156 250037203 /nfs/dbraw/zinc/03/72/03/250037203.db2.gz XJHOEGWDKKGXSD-UHFFFAOYSA-N 0 1 305.294 1.384 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(CC)n[nH]2)c1 ZINC000338550737 250026723 /nfs/dbraw/zinc/02/67/23/250026723.db2.gz FMLGKUXMZZQFPH-UHFFFAOYSA-N 0 1 305.294 1.926 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(CC)n2)c1 ZINC000338550737 250026726 /nfs/dbraw/zinc/02/67/26/250026726.db2.gz FMLGKUXMZZQFPH-UHFFFAOYSA-N 0 1 305.294 1.926 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H]2CCCOC2)cc1 ZINC000273449372 210784614 /nfs/dbraw/zinc/78/46/14/210784614.db2.gz OJFWBKFQEKEKNJ-LLVKDONJSA-N 0 1 314.363 1.137 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000294447622 224034436 /nfs/dbraw/zinc/03/44/36/224034436.db2.gz ZMQKLLFJIUTDJJ-MADCSZMMSA-N 0 1 322.346 1.812 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000270033340 208089387 /nfs/dbraw/zinc/08/93/87/208089387.db2.gz BODWRUFCGDVBOX-KOLCDFICSA-N 0 1 310.354 1.503 20 5 DDBDMN COc1ccc(OC)c([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000159134698 197330275 /nfs/dbraw/zinc/33/02/75/197330275.db2.gz QDEALDNAVVBVFO-MRVPVSSYSA-N 0 1 320.305 1.826 20 5 DDBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H]1CCOC1 ZINC000294586499 224104818 /nfs/dbraw/zinc/10/48/18/224104818.db2.gz LDWZLYYAWDDOFV-LBPRGKRZSA-N 0 1 316.317 1.846 20 5 DDBDMN COc1ccc(NC(=O)CN(C)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352662261 285206311 /nfs/dbraw/zinc/20/63/11/285206311.db2.gz XZCYHPJLRHQGIV-JSGCOSHPSA-N 0 1 323.349 1.387 20 5 DDBDMN C[S@](=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000120480182 195175337 /nfs/dbraw/zinc/17/53/37/195175337.db2.gz TYFZQUIYLWTAHB-MLMJSJRWSA-N 0 1 322.346 1.168 20 5 DDBDMN C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000352798025 285307772 /nfs/dbraw/zinc/30/77/72/285307772.db2.gz WYQUJYBNQKUMCP-STQMWFEESA-N 0 1 321.377 1.915 20 5 DDBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000428622869 296538872 /nfs/dbraw/zinc/53/88/72/296538872.db2.gz LCUSOZAXXLKJHY-PELKAZGASA-N 0 1 307.306 1.026 20 5 DDBDMN O=C(N[C@H](CCO)C1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359951630 306968497 /nfs/dbraw/zinc/96/84/97/306968497.db2.gz BQDOCZWXAOXFMU-CQSZACIVSA-N 0 1 324.333 1.208 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)N1CCN(C)CC1 ZINC000360960365 299783231 /nfs/dbraw/zinc/78/32/31/299783231.db2.gz KWUJWSXHEXOGKO-LLVKDONJSA-N 0 1 310.402 1.167 20 5 DDBDMN CC(C)N1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000078344743 407025185 /nfs/dbraw/zinc/02/51/85/407025185.db2.gz IMCQRGKWHAIMRQ-CYBMUJFWSA-N 0 1 320.393 1.948 20 5 DDBDMN COc1cc(C(=O)N2CCCN(C)CC2)c([N+](=O)[O-])cc1OC ZINC000097617059 407300472 /nfs/dbraw/zinc/30/04/72/407300472.db2.gz BDGMUYANRVYNAE-UHFFFAOYSA-N 0 1 323.349 1.390 20 5 DDBDMN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000124316873 407354771 /nfs/dbraw/zinc/35/47/71/407354771.db2.gz KJPITZOMOAJOEU-AXTRIDKLSA-N 0 1 306.322 1.395 20 5 DDBDMN COc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000103284357 407336305 /nfs/dbraw/zinc/33/63/05/407336305.db2.gz CYMNYYJODXLQQZ-CMPLNLGQSA-N 0 1 307.350 1.689 20 5 DDBDMN C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124627602 407364111 /nfs/dbraw/zinc/36/41/11/407364111.db2.gz SKHYEUGYGRHBQM-NSHDSACASA-N 0 1 307.354 1.986 20 5 DDBDMN CCCOc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000153643819 407866371 /nfs/dbraw/zinc/86/63/71/407866371.db2.gz UYUMDYILHIREQA-UHFFFAOYSA-N 0 1 305.294 1.432 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CCO)[C@H](C)C1 ZINC000187689248 407881248 /nfs/dbraw/zinc/88/12/48/407881248.db2.gz OJOBZOQDJNVMET-CYBMUJFWSA-N 0 1 323.393 1.492 20 5 DDBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000272402236 407904545 /nfs/dbraw/zinc/90/45/45/407904545.db2.gz ZFFWUIJURDMXGF-UHFFFAOYSA-N 0 1 315.276 1.582 20 5 DDBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000262727724 407909353 /nfs/dbraw/zinc/90/93/53/407909353.db2.gz BMFXCVGCKOKFMV-UHFFFAOYSA-N 0 1 319.770 1.279 20 5 DDBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000154089205 407968667 /nfs/dbraw/zinc/96/86/67/407968667.db2.gz PMDWWHDUJLPHIJ-HNNXBMFYSA-N 0 1 321.377 1.772 20 5 DDBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272542554 407973184 /nfs/dbraw/zinc/97/31/84/407973184.db2.gz OBFZMDZAHAUTDN-GFCCVEGCSA-N 0 1 307.350 1.905 20 5 DDBDMN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000180931585 407932711 /nfs/dbraw/zinc/93/27/11/407932711.db2.gz HHMZESARSPQBDT-UHFFFAOYSA-N 0 1 304.262 1.747 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000153938099 407936837 /nfs/dbraw/zinc/93/68/37/407936837.db2.gz DQMUTQAIIJRNGG-NSHDSACASA-N 0 1 307.350 1.770 20 5 DDBDMN Cc1c(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cnn1C ZINC000119251427 408024219 /nfs/dbraw/zinc/02/42/19/408024219.db2.gz LIABHTCKKGWGLI-UHFFFAOYSA-N 0 1 314.305 1.443 20 5 DDBDMN COCCOC[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272578413 407990752 /nfs/dbraw/zinc/99/07/52/407990752.db2.gz TWFVMTKOKVHJGU-NSHDSACASA-N 0 1 324.333 1.426 20 5 DDBDMN CN(CC1CCOCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000122106769 408251521 /nfs/dbraw/zinc/25/15/21/408251521.db2.gz JLWUTFGOMRLENT-UHFFFAOYSA-N 0 1 318.333 1.970 20 5 DDBDMN COC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246306145 408213699 /nfs/dbraw/zinc/21/36/99/408213699.db2.gz FRXWNAIAJNWQQY-GHMZBOCLSA-N 0 1 323.349 1.663 20 5 DDBDMN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1CO ZINC000190371927 408232255 /nfs/dbraw/zinc/23/22/55/408232255.db2.gz JUXRGGWZYHVNBA-ZWNOBZJWSA-N 0 1 318.333 1.848 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000269333247 408271777 /nfs/dbraw/zinc/27/17/77/408271777.db2.gz ATGZKHRKRVHBSG-MNOVXSKESA-N 0 1 323.397 1.996 20 5 DDBDMN CSC[C@](C)(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151222938 408278496 /nfs/dbraw/zinc/27/84/96/408278496.db2.gz RDKYKCJASCWNNH-CYBMUJFWSA-N 0 1 324.362 1.315 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000269359813 408280867 /nfs/dbraw/zinc/28/08/67/408280867.db2.gz JAFAZYVIDITBSH-SECBINFHSA-N 0 1 323.353 1.134 20 5 DDBDMN CSc1ccc(C(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000176190105 408303459 /nfs/dbraw/zinc/30/34/59/408303459.db2.gz ITQWKNXZECDNOO-ZETCQYMHSA-N 0 1 307.335 1.926 20 5 DDBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OCO2 ZINC000176196527 408306015 /nfs/dbraw/zinc/30/60/15/408306015.db2.gz YPKGCWCSFCYKMG-UHFFFAOYSA-N 0 1 304.306 1.652 20 5 DDBDMN CCCc1n[nH]c(C(=O)N2CCCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806423 162242675 /nfs/dbraw/zinc/24/26/75/162242675.db2.gz HDJUYRVMSFEWGU-UHFFFAOYSA-N 0 1 321.381 1.581 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000171806423 162242678 /nfs/dbraw/zinc/24/26/78/162242678.db2.gz HDJUYRVMSFEWGU-UHFFFAOYSA-N 0 1 321.381 1.581 20 5 DDBDMN CC(=O)N1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000269651447 408378091 /nfs/dbraw/zinc/37/80/91/408378091.db2.gz ZRBJSYHGGYTBDV-SECBINFHSA-N 0 1 323.353 1.134 20 5 DDBDMN CCC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000176757875 408434821 /nfs/dbraw/zinc/43/48/21/408434821.db2.gz QJOJPDKGQPENSN-JTQLQIEISA-N 0 1 304.310 1.688 20 5 DDBDMN CCC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000176768544 408436981 /nfs/dbraw/zinc/43/69/81/408436981.db2.gz BUJSWYMNSWNSNW-NSHDSACASA-N 0 1 304.310 1.308 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176900014 408470095 /nfs/dbraw/zinc/47/00/95/408470095.db2.gz OTLVQOAUPCDWFJ-UHFFFAOYSA-N 0 1 318.337 1.195 20 5 DDBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CCOCC1 ZINC000184268908 408581155 /nfs/dbraw/zinc/58/11/55/408581155.db2.gz CXBJLPJEHHUENV-UHFFFAOYSA-N 0 1 322.365 1.019 20 5 DDBDMN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157235 408808269 /nfs/dbraw/zinc/80/82/69/408808269.db2.gz FNDACBRCNFJHLN-DOMZBBRYSA-N 0 1 321.377 1.883 20 5 DDBDMN COC(=O)[C@@H](C)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCC1 ZINC000276798309 408899427 /nfs/dbraw/zinc/89/94/27/408899427.db2.gz RUXMMHXRVRUMFK-SECBINFHSA-N 0 1 322.317 1.857 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)CN(C)C)cc1C ZINC000286836332 408999655 /nfs/dbraw/zinc/99/96/55/408999655.db2.gz WISLUWVFUWMBNF-NSHDSACASA-N 0 1 315.395 1.440 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCCCCO ZINC000278956881 409120722 /nfs/dbraw/zinc/12/07/22/409120722.db2.gz WKKJYSYPFFQLAD-UHFFFAOYSA-N 0 1 309.366 1.936 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nnc[nH]2)c1 ZINC000283908468 409238152 /nfs/dbraw/zinc/23/81/52/409238152.db2.gz JNCUSOWCOLMVMZ-MRVPVSSYSA-N 0 1 305.294 1.603 20 5 DDBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCS(=O)(=O)C2)cs1 ZINC000290190885 409316875 /nfs/dbraw/zinc/31/68/75/409316875.db2.gz SXEAIEYCMYKGMJ-VIFPVBQESA-N 0 1 304.393 1.571 20 5 DDBDMN Cc1cn[nH]c1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000290403030 409388712 /nfs/dbraw/zinc/38/87/12/409388712.db2.gz KPKJZCBHBNBUFR-UHFFFAOYSA-N 0 1 301.350 1.949 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000285326944 409408741 /nfs/dbraw/zinc/40/87/41/409408741.db2.gz RWOZACUMANJVNN-GJZGRUSLSA-N 0 1 319.361 1.448 20 5 DDBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccsc1 ZINC000285388121 409422921 /nfs/dbraw/zinc/42/29/21/409422921.db2.gz JGHCSVIVOZDKKN-SNVBAGLBSA-N 0 1 309.351 1.412 20 5 DDBDMN CCCc1n[nH]c(C(=O)NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000295346922 409445341 /nfs/dbraw/zinc/44/53/41/409445341.db2.gz FSYVJFXJMBUMEY-UHFFFAOYSA-N 0 1 319.325 1.196 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(CC)n2)c1 ZINC000295349006 409446267 /nfs/dbraw/zinc/44/62/67/409446267.db2.gz NDTYPXMOKBTRJW-UHFFFAOYSA-N 0 1 319.321 1.604 20 5 DDBDMN COc1cc(C(=O)NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000295393553 409463330 /nfs/dbraw/zinc/46/33/30/409463330.db2.gz JIDRDYVGOGNPRS-UHFFFAOYSA-N 0 1 317.305 1.529 20 5 DDBDMN Cc1nc(NCCCN2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296253427 409479110 /nfs/dbraw/zinc/47/91/10/409479110.db2.gz FVBQVIYBIXTDTR-PHIMTYICSA-N 0 1 309.370 1.604 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000295451314 409487884 /nfs/dbraw/zinc/48/78/84/409487884.db2.gz OQOYOOHFUXYZAP-UHFFFAOYSA-N 0 1 317.305 1.529 20 5 DDBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296475512 409578249 /nfs/dbraw/zinc/57/82/49/409578249.db2.gz WIFXFQSFDKCCOG-CYBMUJFWSA-N 0 1 322.365 1.563 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](O)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000296873303 409680060 /nfs/dbraw/zinc/68/00/60/409680060.db2.gz IUOIFAOLWRRODS-JTQLQIEISA-N 0 1 324.381 1.894 20 5 DDBDMN O=C(Nc1ccnc2ccncc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356942522 409737805 /nfs/dbraw/zinc/73/78/05/409737805.db2.gz QONJSQHBCXERTL-UHFFFAOYSA-N 0 1 310.269 1.918 20 5 DDBDMN COC(=O)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000354338051 409778203 /nfs/dbraw/zinc/77/82/03/409778203.db2.gz ZZQNYKAMXHDJBJ-LLVKDONJSA-N 0 1 318.289 1.153 20 5 DDBDMN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1F ZINC000354396829 409824899 /nfs/dbraw/zinc/82/48/99/409824899.db2.gz VOOJYGSQSXIOTE-UHFFFAOYSA-N 0 1 321.312 1.449 20 5 DDBDMN CC(C)(C(=O)NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000357044711 409816819 /nfs/dbraw/zinc/81/68/19/409816819.db2.gz IRCFKGKNRMWLKO-UHFFFAOYSA-N 0 1 316.321 1.191 20 5 DDBDMN C[C@@H](C(=O)NC1(c2nn[nH]n2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000357048032 409820367 /nfs/dbraw/zinc/82/03/67/409820367.db2.gz LUTFSVALLQRHRY-SSDOTTSWSA-N 0 1 320.284 1.156 20 5 DDBDMN O=C1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]2N1 ZINC000332256647 410018513 /nfs/dbraw/zinc/01/85/13/410018513.db2.gz ZAQJKIWEJFSRFH-TZMCWYRMSA-N 0 1 305.334 1.543 20 5 DDBDMN CC(C)CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C1=O ZINC000339100006 410060191 /nfs/dbraw/zinc/06/01/91/410060191.db2.gz SOHTYYYCZVYESO-GFCCVEGCSA-N 0 1 321.377 1.989 20 5 DDBDMN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1CCO ZINC000343024202 410081778 /nfs/dbraw/zinc/08/17/78/410081778.db2.gz DDGHKDFASFCQEC-VIFPVBQESA-N 0 1 323.378 1.102 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3[nH]cnc31)CCO2 ZINC000357811846 410261978 /nfs/dbraw/zinc/26/19/78/410261978.db2.gz QZQXIIOEDBDWGU-UHFFFAOYSA-N 0 1 312.289 1.660 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339620086 410334998 /nfs/dbraw/zinc/33/49/98/410334998.db2.gz TZQQXFLKQKIVPJ-BETUJISGSA-N 0 1 320.393 1.866 20 5 DDBDMN CCN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000355351922 410462737 /nfs/dbraw/zinc/46/27/37/410462737.db2.gz UYRLUIOKSDHMQK-GJZGRUSLSA-N 0 1 319.361 1.530 20 5 DDBDMN C[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000301095792 410656027 /nfs/dbraw/zinc/65/60/27/410656027.db2.gz NKNCEVFAGDVEPZ-GFCCVEGCSA-N 0 1 306.366 1.679 20 5 DDBDMN C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000134243101 196373570 /nfs/dbraw/zinc/37/35/70/196373570.db2.gz NNSLVUZJADRVTR-LLVKDONJSA-N 0 1 324.356 1.100 20 5 DDBDMN Nc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCSC3)CC2)c1 ZINC000367169029 418567135 /nfs/dbraw/zinc/56/71/35/418567135.db2.gz AFRSMMHXMWFUIV-GFCCVEGCSA-N 0 1 308.407 1.805 20 5 DDBDMN Nc1c(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000374536897 418539087 /nfs/dbraw/zinc/53/90/87/418539087.db2.gz ZGJJBYQLGQQRCY-SECBINFHSA-N 0 1 316.321 1.315 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC000367668421 418620158 /nfs/dbraw/zinc/62/01/58/418620158.db2.gz AXDYERQJGZDISD-QMTHXVAHSA-N 0 1 305.334 1.467 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000367765624 418632264 /nfs/dbraw/zinc/63/22/64/418632264.db2.gz PGJMPJICRVAGRK-INMHGKMJSA-N 0 1 318.373 1.495 20 5 DDBDMN CCc1nn(C)c(N2CCC(c3nc(C)n[nH]3)CC2)c1[N+](=O)[O-] ZINC000367939954 418661047 /nfs/dbraw/zinc/66/10/47/418661047.db2.gz XZENZYFRTVTNII-UHFFFAOYSA-N 0 1 319.369 1.701 20 5 DDBDMN CCc1nn(C)c(N2CCC(c3nnc(C)[nH]3)CC2)c1[N+](=O)[O-] ZINC000367939954 418661048 /nfs/dbraw/zinc/66/10/48/418661048.db2.gz XZENZYFRTVTNII-UHFFFAOYSA-N 0 1 319.369 1.701 20 5 DDBDMN Cc1nc(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])n[nH]1 ZINC000392443048 418759162 /nfs/dbraw/zinc/75/91/62/418759162.db2.gz CGJQAOAEDGMBNC-UHFFFAOYSA-N 0 1 315.293 1.325 20 5 DDBDMN Cc1nnc(CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])[nH]1 ZINC000392443048 418759164 /nfs/dbraw/zinc/75/91/64/418759164.db2.gz CGJQAOAEDGMBNC-UHFFFAOYSA-N 0 1 315.293 1.325 20 5 DDBDMN Cn1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(F)cc2)n1 ZINC000371453483 418792768 /nfs/dbraw/zinc/79/27/68/418792768.db2.gz AFBKQZMOXRTCCH-KWCYVHTRSA-N 0 1 318.308 1.430 20 5 DDBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000428622871 419905148 /nfs/dbraw/zinc/90/51/48/419905148.db2.gz LCUSOZAXXLKJHY-QPUJVOFHSA-N 0 1 307.306 1.026 20 5 DDBDMN COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000423583602 420089472 /nfs/dbraw/zinc/08/94/72/420089472.db2.gz CDKATHJPFKPUQR-PHIMTYICSA-N 0 1 305.334 1.570 20 5 DDBDMN CN(C(=O)C[N@@H+](C)CCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000430669396 420174700 /nfs/dbraw/zinc/17/47/00/420174700.db2.gz KLCHPBNGPZYKOM-UHFFFAOYSA-N 0 1 309.322 1.354 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CNc1n[nH]c(N(C)C)n1 ZINC000424180205 420313136 /nfs/dbraw/zinc/31/31/36/420313136.db2.gz NGOJNDGKHDNJAN-UHFFFAOYSA-N 0 1 306.326 1.790 20 5 DDBDMN CC(C)c1ccc(C(=O)NC(C)(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000439511017 420519050 /nfs/dbraw/zinc/51/90/50/420519050.db2.gz IGJAFQFYIAOXNE-UHFFFAOYSA-N 0 1 318.337 1.896 20 5 DDBDMN O=C(NCC1(CF)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452805257 420665975 /nfs/dbraw/zinc/66/59/75/420665975.db2.gz LQPLYKHGTPVDLS-UHFFFAOYSA-N 0 1 312.297 1.797 20 5 DDBDMN COc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453624862 420738339 /nfs/dbraw/zinc/73/83/39/420738339.db2.gz KDGGZFJUMDTAOO-STQMWFEESA-N 0 1 319.361 1.846 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000523685365 421246346 /nfs/dbraw/zinc/24/63/46/421246346.db2.gz UGSGVNSUUSFOLY-UHFFFAOYSA-N 0 1 309.370 1.573 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000523685365 421246347 /nfs/dbraw/zinc/24/63/47/421246347.db2.gz UGSGVNSUUSFOLY-UHFFFAOYSA-N 0 1 309.370 1.573 20 5 DDBDMN COC[C@@H](C)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000560621989 421285132 /nfs/dbraw/zinc/28/51/32/421285132.db2.gz JMPDOTKBTINROI-ZDUSSCGKSA-N 0 1 321.377 1.635 20 5 DDBDMN O=[N+]([O-])c1cc2c(nc1N1CC[C@H](c3nc[nH]n3)C1)CCCC2 ZINC000517133630 421596410 /nfs/dbraw/zinc/59/64/10/421596410.db2.gz FTSUNHALKSCZPY-NSHDSACASA-N 0 1 314.349 1.981 20 5 DDBDMN COc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000516777685 421567760 /nfs/dbraw/zinc/56/77/60/421567760.db2.gz NGDJNMAXPPKYQG-RYUDHWBXSA-N 0 1 324.333 1.667 20 5 DDBDMN CC(C)(N)c1noc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)n1 ZINC000573560930 421979232 /nfs/dbraw/zinc/97/92/32/421979232.db2.gz GOKOMXKAWKJXQL-UHFFFAOYSA-N 0 1 313.701 1.035 20 5 DDBDMN Cc1cc(N2CC[N@H+](CCO)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574403737 422104577 /nfs/dbraw/zinc/10/45/77/422104577.db2.gz KDPYHIITXCQQPC-NSHDSACASA-N 0 1 323.349 1.104 20 5 DDBDMN COC(=O)c1nc[nH]c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000584339447 422296102 /nfs/dbraw/zinc/29/61/02/422296102.db2.gz PZNVCWUPBIOIPP-UHFFFAOYSA-N 0 1 318.289 1.676 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2=CC[N@@H+](C)CC2)n1 ZINC000578363058 422555258 /nfs/dbraw/zinc/55/52/58/422555258.db2.gz FHSZSGPCDNLJFL-UHFFFAOYSA-N 0 1 306.322 1.670 20 5 DDBDMN Cc1c(C(=O)NC2(c3nn[nH]n3)CCCC2)cccc1[N+](=O)[O-] ZINC000345492476 272263762 /nfs/dbraw/zinc/26/37/62/272263762.db2.gz YHOHUBAQPKWOLG-UHFFFAOYSA-N 0 1 316.321 1.616 20 5 DDBDMN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1CCO ZINC000302389625 274364883 /nfs/dbraw/zinc/36/48/83/274364883.db2.gz IAQXHKNQJDIXJH-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN Cc1[nH]ncc1CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000299676203 533689495 /nfs/dbraw/zinc/68/94/95/533689495.db2.gz QDBRXPHKBNGQLD-UHFFFAOYSA-N 0 1 318.333 1.754 20 5 DDBDMN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124207020 279141985 /nfs/dbraw/zinc/14/19/85/279141985.db2.gz HDOLJHHYWLKOFY-SECBINFHSA-N 0 1 319.358 1.386 20 5 DDBDMN O=C1O[C@@H](CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC12CC2 ZINC000369007170 301118293 /nfs/dbraw/zinc/11/82/93/301118293.db2.gz GRHCOKNDLRSWQB-DGCLKSJQSA-N 0 1 320.349 1.524 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000369252362 301150015 /nfs/dbraw/zinc/15/00/15/301150015.db2.gz PSGMDWBZEYWFSL-BZPMIXESSA-N 0 1 300.318 1.475 20 5 DDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000370362412 301324369 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O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1n[nH]c(C2CC2)n1 ZINC000179647887 407819675 /nfs/dbraw/zinc/81/96/75/407819675.db2.gz KEDMWJDQOLEZEJ-UHFFFAOYSA-N 0 1 313.273 1.387 20 5 DDBDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1CCCOCC1 ZINC000189464956 408025126 /nfs/dbraw/zinc/02/51/26/408025126.db2.gz CPPROEFNQACUKN-VOTSOKGWSA-N 0 1 319.361 1.447 20 5 DDBDMN C[C@H](O)C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000154483521 408040442 /nfs/dbraw/zinc/04/04/42/408040442.db2.gz MAPMYNJBYZDFFT-JQWIXIFHSA-N 0 1 318.333 1.602 20 5 DDBDMN C[C@@H](O)C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000154483640 408042767 /nfs/dbraw/zinc/04/27/67/408042767.db2.gz MAPMYNJBYZDFFT-PWSUYJOCSA-N 0 1 318.333 1.602 20 5 DDBDMN Cc1ccccc1O[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121268478 408172825 /nfs/dbraw/zinc/17/28/25/408172825.db2.gz SZQZHWORZHNZCF-SNVBAGLBSA-N 0 1 304.306 1.824 20 5 DDBDMN CCOc1ccc(C(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000175934151 408243939 /nfs/dbraw/zinc/24/39/39/408243939.db2.gz CYPVEFGAWXIJKH-QMMMGPOBSA-N 0 1 305.294 1.603 20 5 DDBDMN Cc1c(C(=O)NC[C@H](C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000263773611 408250365 /nfs/dbraw/zinc/25/03/65/408250365.db2.gz NJGXTDJQDDFTIN-LBPRGKRZSA-N 0 1 320.393 1.269 20 5 DDBDMN Cc1cc(C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)[nH]n1 ZINC000273532134 408235638 /nfs/dbraw/zinc/23/56/38/408235638.db2.gz RWFCKUZNRCUCEO-UHFFFAOYSA-N 0 1 303.326 1.383 20 5 DDBDMN COCC[N@@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263818355 408270897 /nfs/dbraw/zinc/27/08/97/408270897.db2.gz ZAERKRRYRQLUQY-UHFFFAOYSA-N 0 1 321.333 1.649 20 5 DDBDMN C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1CO ZINC000190915572 408340868 /nfs/dbraw/zinc/34/08/68/408340868.db2.gz VLDCSMQGTXSQKD-PWSUYJOCSA-N 0 1 318.333 1.705 20 5 DDBDMN CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000246853614 408353801 /nfs/dbraw/zinc/35/38/01/408353801.db2.gz BQBKKBGKQQEUEE-QWHCGFSZSA-N 0 1 308.382 1.580 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2(O)CCCC2)c1[N+](=O)[O-] ZINC000269847538 408447297 /nfs/dbraw/zinc/44/72/97/408447297.db2.gz ASCKWTUHTOPKCF-UHFFFAOYSA-N 0 1 310.354 1.818 20 5 DDBDMN Cc1nc2ccccc2n1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159294786 408400836 /nfs/dbraw/zinc/40/08/36/408400836.db2.gz KCSRRQLGBLMZAS-UHFFFAOYSA-N 0 1 314.305 1.406 20 5 DDBDMN Cc1[nH+]c2ccccc2n1CCNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC000159294786 408400840 /nfs/dbraw/zinc/40/08/40/408400840.db2.gz KCSRRQLGBLMZAS-UHFFFAOYSA-N 0 1 314.305 1.406 20 5 DDBDMN C[C@@H](CN(C)C(=O)C=Cc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000183401342 408400950 /nfs/dbraw/zinc/40/09/50/408400950.db2.gz PHWXDAKRMDNEJZ-JARNTUPDSA-N 0 1 316.321 1.383 20 5 DDBDMN Cc1c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000183401384 408401805 /nfs/dbraw/zinc/40/18/05/408401805.db2.gz FBWUOLLVZFMAQA-MRVPVSSYSA-N 0 1 304.310 1.292 20 5 DDBDMN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(N)c([N+](=O)[O-])c1 ZINC000176889797 408466964 /nfs/dbraw/zinc/46/69/64/408466964.db2.gz AFVKODSKOHYMTD-LLVKDONJSA-N 0 1 306.366 1.652 20 5 DDBDMN CNC(=O)[C@H](C)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177208309 408552053 /nfs/dbraw/zinc/55/20/53/408552053.db2.gz XBIIPUCODXXVPU-SECBINFHSA-N 0 1 306.322 1.550 20 5 DDBDMN Cc1nc(C(C)(C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)no1 ZINC000274863202 408560211 /nfs/dbraw/zinc/56/02/11/408560211.db2.gz KFFZWWOJJJGVLI-UHFFFAOYSA-N 0 1 306.278 1.657 20 5 DDBDMN C[C@@H]1CSCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248462590 408574161 /nfs/dbraw/zinc/57/41/61/408574161.db2.gz PZPFXNFINAYNEN-VXGBXAGGSA-N 0 1 312.391 1.772 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCc3c(F)cccc3C2)c1[N+](=O)[O-] ZINC000270477762 408544052 /nfs/dbraw/zinc/54/40/52/408544052.db2.gz NVFHIYVUKVLLDS-UHFFFAOYSA-N 0 1 304.281 1.964 20 5 DDBDMN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000248900270 408658171 /nfs/dbraw/zinc/65/81/71/408658171.db2.gz HEWIKXRIRHGSRD-YGRLFVJLSA-N 0 1 308.334 1.664 20 5 DDBDMN CSC[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000265458510 408658889 /nfs/dbraw/zinc/65/88/89/408658889.db2.gz DIIDSORTZDUNJI-ZETCQYMHSA-N 0 1 308.356 1.764 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC(CC)(CO)CC2)c1[N+](=O)[O-] ZINC000270877565 408722054 /nfs/dbraw/zinc/72/20/54/408722054.db2.gz XROANMSHPHGFQO-UHFFFAOYSA-N 0 1 324.381 1.895 20 5 DDBDMN C[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000249541358 408739441 /nfs/dbraw/zinc/73/94/41/408739441.db2.gz DZQTUDSYOUPWEN-SWLSCSKDSA-N 0 1 321.377 1.950 20 5 DDBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000251690516 408783672 /nfs/dbraw/zinc/78/36/72/408783672.db2.gz OYBWMSRIWBFEHZ-WDEREUQCSA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000251690516 408783673 /nfs/dbraw/zinc/78/36/73/408783673.db2.gz OYBWMSRIWBFEHZ-WDEREUQCSA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@H](C[S@@](C)=O)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000185105885 408758171 /nfs/dbraw/zinc/75/81/71/408758171.db2.gz VCVIFEGTUZTYFE-BIBXISHDSA-N 0 1 300.380 1.672 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](CCO)c1ccco1 ZINC000185106965 408758825 /nfs/dbraw/zinc/75/88/25/408758825.db2.gz RWPCCJYMFZJVBR-GFCCVEGCSA-N 0 1 307.306 1.063 20 5 DDBDMN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000292138437 408988949 /nfs/dbraw/zinc/98/89/49/408988949.db2.gz HSDPNNCDCCPOQY-UHFFFAOYSA-N 0 1 302.338 1.344 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCc3cc[nH]c(=O)c3C2)c1[N+](=O)[O-] ZINC000277980688 409044455 /nfs/dbraw/zinc/04/44/55/409044455.db2.gz YLRMDZULVQFKTE-UHFFFAOYSA-N 0 1 317.305 1.179 20 5 DDBDMN CC[C@H](C)N(CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000287517764 409048358 /nfs/dbraw/zinc/04/83/58/409048358.db2.gz UVCMBEFOZPZEBC-LBPRGKRZSA-N 0 1 321.377 1.577 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](O)[C@H](O)C3)o2)c1 ZINC000278418055 409083722 /nfs/dbraw/zinc/08/37/22/409083722.db2.gz RCPJGRSNNHCQJV-ZIAGYGMSSA-N 0 1 304.302 1.392 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)NCCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000287914573 409113807 /nfs/dbraw/zinc/11/38/07/409113807.db2.gz ILSGJXCCHODPCK-VIFPVBQESA-N 0 1 318.337 1.624 20 5 DDBDMN C[C@@H](Cn1cccn1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278928094 409114483 /nfs/dbraw/zinc/11/44/83/409114483.db2.gz VTHUELPFHVVWKK-JTQLQIEISA-N 0 1 305.294 1.878 20 5 DDBDMN CC(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000296120834 409436080 /nfs/dbraw/zinc/43/60/80/409436080.db2.gz QDRDIQBZQBNTCW-UHFFFAOYSA-N 0 1 322.300 1.488 20 5 DDBDMN C[C@@H]1[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000356853680 409664918 /nfs/dbraw/zinc/66/49/18/409664918.db2.gz OCQLLPAPJFTRSG-VXGBXAGGSA-N 0 1 307.350 1.525 20 5 DDBDMN Cc1nc([C@H]2CCCCN2C(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000338243687 409833923 /nfs/dbraw/zinc/83/39/23/409833923.db2.gz CAUPGJQHHGMVNA-SECBINFHSA-N 0 1 319.325 1.122 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000357012403 409794283 /nfs/dbraw/zinc/79/42/83/409794283.db2.gz YQJUYRQNWITJOT-OLZOCXBDSA-N 0 1 320.393 1.866 20 5 DDBDMN CNC(=O)c1ccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000338794062 410037574 /nfs/dbraw/zinc/03/75/74/410037574.db2.gz KLJIWFIEPCGNBQ-PHIMTYICSA-N 0 1 306.366 1.483 20 5 DDBDMN CCN1C[C@@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357460896 410052479 /nfs/dbraw/zinc/05/24/79/410052479.db2.gz RRFGCWKBNDADCO-NXEZZACHSA-N 0 1 307.354 1.008 20 5 DDBDMN C[C@H]1CN(C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332311531 410061392 /nfs/dbraw/zinc/06/13/92/410061392.db2.gz MWRJETUMFGDJFB-LBPRGKRZSA-N 0 1 318.377 1.120 20 5 DDBDMN O=[N+]([O-])c1cc(F)c(CN[C@H](CO)C2CCOCC2)c(F)c1 ZINC000351755873 410210082 /nfs/dbraw/zinc/21/00/82/410210082.db2.gz JUXYPBVXZZTOBK-CQSZACIVSA-N 0 1 316.304 1.750 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339618650 410333036 /nfs/dbraw/zinc/33/30/36/410333036.db2.gz HLNZEXCDKNZFDQ-JHJVBQTASA-N 0 1 320.393 1.946 20 5 DDBDMN CN(CC(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000343315509 410347061 /nfs/dbraw/zinc/34/70/61/410347061.db2.gz XVZUFLFTNLGGTJ-CYBMUJFWSA-N 0 1 323.418 1.691 20 5 DDBDMN CCCCN1CC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000298785480 410395621 /nfs/dbraw/zinc/39/56/21/410395621.db2.gz NKIZBJDKAJMCMZ-AWEZNQCLSA-N 0 1 309.322 1.540 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2CC2CCC2)c1 ZINC000339781500 410453930 /nfs/dbraw/zinc/45/39/30/410453930.db2.gz YDYPPRRCIMALAK-ZFWWWQNUSA-N 0 1 324.381 1.043 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCCN2CCSC[C@H]2CO)cc1 ZINC000343725317 410649241 /nfs/dbraw/zinc/64/92/41/410649241.db2.gz NWWZVPQGYKALIR-CYBMUJFWSA-N 0 1 312.391 1.773 20 5 DDBDMN CS(=O)(=O)[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330447328 410698392 /nfs/dbraw/zinc/69/83/92/410698392.db2.gz FSELRLQKVOZSCA-GFCCVEGCSA-N 0 1 314.363 1.309 20 5 DDBDMN NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccn(CC(F)F)n1 ZINC000301509093 410731912 /nfs/dbraw/zinc/73/19/12/410731912.db2.gz CKSJYKRRJNXZNH-UHFFFAOYSA-N 0 1 312.236 1.294 20 5 DDBDMN Cc1ccnc(N2CCC(N3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301246525 410685208 /nfs/dbraw/zinc/68/52/08/410685208.db2.gz ATDQRLAEXBCXIA-CYBMUJFWSA-N 0 1 320.393 1.988 20 5 DDBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH]nnc2C1 ZINC000359761804 410859239 /nfs/dbraw/zinc/85/92/39/410859239.db2.gz KTHFTKBETXBQJI-UHFFFAOYSA-N 0 1 307.697 1.565 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000331184641 411003350 /nfs/dbraw/zinc/00/33/50/411003350.db2.gz YIYASLLSUYDWMI-HNNXBMFYSA-N 0 1 321.377 1.772 20 5 DDBDMN COc1ccc(OCCN2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331279235 411053994 /nfs/dbraw/zinc/05/39/94/411053994.db2.gz SRXRHTHBRZYIOX-LBPRGKRZSA-N 0 1 309.366 1.618 20 5 DDBDMN NC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356514325 411066832 /nfs/dbraw/zinc/06/68/32/411066832.db2.gz PNTMMQFTZNIRPX-CYBMUJFWSA-N 0 1 315.285 1.257 20 5 DDBDMN COc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000294785654 533678883 /nfs/dbraw/zinc/67/88/83/533678883.db2.gz LNPAAZALGNXWDI-UHFFFAOYSA-N 0 1 303.322 1.889 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000356542673 411080618 /nfs/dbraw/zinc/08/06/18/411080618.db2.gz HMTXCXAISGHBHQ-LBPRGKRZSA-N 0 1 318.333 1.302 20 5 DDBDMN Cn1ncc2c1nc(C=Cc1cc(O)ccc1[N+](=O)[O-])[nH]c2=O ZINC000178724241 221875889 /nfs/dbraw/zinc/87/58/89/221875889.db2.gz GUOMWTGXYHNSDC-GORDUTHDSA-N 0 1 313.273 1.441 20 5 DDBDMN C=Cn1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cn1 ZINC000193983978 222168710 /nfs/dbraw/zinc/16/87/10/222168710.db2.gz MFUWDVPSMQCTKO-CYBMUJFWSA-N 0 1 314.349 1.973 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000371446961 418790947 /nfs/dbraw/zinc/79/09/47/418790947.db2.gz IENKFCGEZMSPCE-STQMWFEESA-N 0 1 308.382 1.967 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCN2CCC1CC2 ZINC000364934004 418825097 /nfs/dbraw/zinc/82/50/97/418825097.db2.gz IOBKNFCJNDALLF-UHFFFAOYSA-N 0 1 311.288 1.793 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000372313848 418855317 /nfs/dbraw/zinc/85/53/17/418855317.db2.gz UEBITNZVNNGDEU-HBNTYKKESA-N 0 1 305.338 1.053 20 5 DDBDMN CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411186086 418877813 /nfs/dbraw/zinc/87/78/13/418877813.db2.gz IRDVWCIBKFJUMQ-ZDUSSCGKSA-N 0 1 320.349 1.134 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@](O)(C2CC2)C1 ZINC000365839909 418914990 /nfs/dbraw/zinc/91/49/90/418914990.db2.gz UBWWCQCCKPVOTO-BDJLRTHQSA-N 0 1 319.361 1.769 20 5 DDBDMN O=C(NCc1nc(-c2cccc(F)c2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000373237079 418933303 /nfs/dbraw/zinc/93/33/03/418933303.db2.gz NNFVQSPSPOLDQG-ZJUUUORDSA-N 0 1 306.253 1.157 20 5 DDBDMN CNC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000420968472 419389375 /nfs/dbraw/zinc/38/93/75/419389375.db2.gz BXCRZZIATVKKSJ-GFCCVEGCSA-N 0 1 321.377 1.950 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCOc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000428434469 419865075 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20 5 DDBDMN CCON(CC)C(=O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000858219449 704680395 /nfs/dbraw/zinc/68/03/95/704680395.db2.gz NAPCDCWIDJYYOI-CLFYSBASSA-N 0 1 307.350 1.998 20 5 DDBDMN C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000874834282 705190935 /nfs/dbraw/zinc/19/09/35/705190935.db2.gz QUSLQUKNTWVUOJ-GHMZBOCLSA-N 0 1 306.322 1.004 20 5 DDBDMN C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000874834282 705190937 /nfs/dbraw/zinc/19/09/37/705190937.db2.gz QUSLQUKNTWVUOJ-GHMZBOCLSA-N 0 1 306.322 1.004 20 5 DDBDMN C[C@@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl)c1nn[nH]n1 ZINC000860786062 705282396 /nfs/dbraw/zinc/28/23/96/705282396.db2.gz SPLNKXJUYOWLGA-ZETCQYMHSA-N 0 1 324.728 1.637 20 5 DDBDMN CO[C@H]1CN(C)[C@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339487 705433462 /nfs/dbraw/zinc/43/34/62/705433462.db2.gz CDWSWBMNCLSUOB-ABAIWWIYSA-N 0 1 308.334 1.861 20 5 DDBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)[N@@H+]1CCO ZINC000829015451 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DDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC(N2CCCC2)C1 ZINC000898599299 708805206 /nfs/dbraw/zinc/80/52/06/708805206.db2.gz NPCGRGHSTYTAHM-UHFFFAOYSA-N 0 1 307.325 1.583 20 5 DDBDMN Cc1nn(CCC(=O)N2CC(N3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000898613076 708811805 /nfs/dbraw/zinc/81/18/05/708811805.db2.gz UBECHGAGPKYTAS-UHFFFAOYSA-N 0 1 321.381 1.105 20 5 DDBDMN COC(=O)[C@@H]1CSCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000887077904 708949462 /nfs/dbraw/zinc/94/94/62/708949462.db2.gz XSSMDSYPRPOGCM-LBPRGKRZSA-N 0 1 312.347 1.391 20 5 DDBDMN C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887929365 709168534 /nfs/dbraw/zinc/16/85/34/709168534.db2.gz TYCHHYWRVSSXCS-ABAIWWIYSA-N 0 1 305.334 1.324 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912924518 713126633 /nfs/dbraw/zinc/12/66/33/713126633.db2.gz XMSMIEBRCULWMX-GFCCVEGCSA-N 0 1 305.334 1.524 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901540310 710069039 /nfs/dbraw/zinc/06/90/39/710069039.db2.gz ARELWIKKNNBBLM-ZDUSSCGKSA-N 0 1 314.725 1.924 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901540310 710069041 /nfs/dbraw/zinc/06/90/41/710069041.db2.gz ARELWIKKNNBBLM-ZDUSSCGKSA-N 0 1 314.725 1.924 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901540782 710069521 /nfs/dbraw/zinc/06/95/21/710069521.db2.gz CWLCVFFPHJORFQ-ZDUSSCGKSA-N 0 1 314.725 1.924 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901540782 710069526 /nfs/dbraw/zinc/06/95/26/710069526.db2.gz CWLCVFFPHJORFQ-ZDUSSCGKSA-N 0 1 314.725 1.924 20 5 DDBDMN COc1cc([C@H](C)N[C@H](C)C(=O)NCCF)cc([N+](=O)[O-])c1 ZINC000903168141 711053634 /nfs/dbraw/zinc/05/36/34/711053634.db2.gz SMTAJTZLBMGAQJ-VHSXEESVSA-N 0 1 313.329 1.728 20 5 DDBDMN COc1c(O)ccc(CN2CCC[C@H](CO)CC2)c1[N+](=O)[O-] ZINC000894650559 711229130 /nfs/dbraw/zinc/22/91/30/711229130.db2.gz XTBYKBLQKMQASZ-NSHDSACASA-N 0 1 310.350 1.903 20 5 DDBDMN CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1CO ZINC000894890914 711310926 /nfs/dbraw/zinc/31/09/26/711310926.db2.gz WGCWYDAJMVJBKB-LLVKDONJSA-N 0 1 302.334 1.256 20 5 DDBDMN Cc1c(CN[C@H]2C(=O)NCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000895767234 711600294 /nfs/dbraw/zinc/60/02/94/711600294.db2.gz XNLYRJQRQQPLFI-AWEZNQCLSA-N 0 1 319.361 1.288 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896564697 711753473 /nfs/dbraw/zinc/75/34/73/711753473.db2.gz RMMPEWVQQXOFSJ-WFASDCNBSA-N 0 1 320.393 1.267 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2C2OCCO2)cc1 ZINC000933902374 714697000 /nfs/dbraw/zinc/69/70/00/714697000.db2.gz ZNTPYTDCSFMBHB-KGLIPLIRSA-N 0 1 308.334 1.466 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@H](O)CN1C ZINC000924990253 714718278 /nfs/dbraw/zinc/71/82/78/714718278.db2.gz UYVVSLXYMFQWSO-OLZOCXBDSA-N 0 1 321.377 1.315 20 5 DDBDMN CCC(CC)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961054504 716781072 /nfs/dbraw/zinc/78/10/72/716781072.db2.gz ZUUCPBBEOYVWJL-XJFOESAGSA-N 0 1 323.393 1.005 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)CC2(C)CC2)CC1 ZINC000953928845 721680032 /nfs/dbraw/zinc/68/00/32/721680032.db2.gz MKSVXKUVDYZWSQ-CHWSQXEVSA-N 0 1 323.393 1.291 20 5 DDBDMN COc1ncnc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC001165029208 721856208 /nfs/dbraw/zinc/85/62/08/721856208.db2.gz VOFQFXCFDCARHI-UHFFFAOYSA-N 0 1 307.354 1.458 20 5 DDBDMN CCN(CCNC(=O)c1ncn[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001100585169 734758111 /nfs/dbraw/zinc/75/81/11/734758111.db2.gz YVYROZNQIQLKCJ-UHFFFAOYSA-N 0 1 322.300 1.108 20 5 DDBDMN CCN(CCNC(=O)c1nc[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC001100585169 734758114 /nfs/dbraw/zinc/75/81/14/734758114.db2.gz YVYROZNQIQLKCJ-UHFFFAOYSA-N 0 1 322.300 1.108 20 5 DDBDMN C[C@@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C)c1ccc([N+](=O)[O-])cc1 ZINC000928246696 740129885 /nfs/dbraw/zinc/12/98/85/740129885.db2.gz LBZJLXMFZLQIGH-WDBKCZKBSA-N 0 1 307.350 1.227 20 5 DDBDMN O=C(N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001059277096 740541492 /nfs/dbraw/zinc/54/14/92/740541492.db2.gz VNJDPROOPDWYCN-ZKCHVHJHSA-N 0 1 320.284 1.225 20 5 DDBDMN O=C(N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001059277096 740541496 /nfs/dbraw/zinc/54/14/96/740541496.db2.gz VNJDPROOPDWYCN-ZKCHVHJHSA-N 0 1 320.284 1.225 20 5 DDBDMN O=C1N=NC(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)N1C1CC1 ZINC001187270324 744531404 /nfs/dbraw/zinc/53/14/04/744531404.db2.gz DXXOVRSELWDHDS-UHFFFAOYSA-N 0 1 315.293 1.715 20 5 DDBDMN CSCCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001123191572 745991127 /nfs/dbraw/zinc/99/11/27/745991127.db2.gz PSTABWKUGJYTKM-UHFFFAOYSA-N 0 1 303.409 1.615 20 5 DDBDMN NC(=O)c1ccc(CN2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC001195305567 746572608 /nfs/dbraw/zinc/57/26/08/746572608.db2.gz DGUPGQGKQVRKTK-CYBMUJFWSA-N 0 1 319.361 1.573 20 5 DDBDMN CCOc1cc(CN2C[C@H](CO)[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC001198755072 747600191 /nfs/dbraw/zinc/60/01/91/747600191.db2.gz XGCAVCLQPDNHCO-ZIAGYGMSSA-N 0 1 324.377 1.416 20 5 DDBDMN O=C(Cc1ccon1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125103396 748859634 /nfs/dbraw/zinc/85/96/34/748859634.db2.gz ACNZIRWTHPUNSE-UHFFFAOYSA-N 0 1 310.335 1.093 20 5 DDBDMN COc1cccc(C2(N[C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168997069 762169978 /nfs/dbraw/zinc/16/99/78/762169978.db2.gz XEWQXJSPZZLDCW-OCCSQVGLSA-N 0 1 306.362 1.956 20 5 DDBDMN COC[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2cn(C)nc21 ZINC001169018751 762198822 /nfs/dbraw/zinc/19/88/22/762198822.db2.gz DIQCMSLLZLLXRR-XBFCOCLRSA-N 0 1 308.382 1.411 20 5 DDBDMN CC1(CC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCC1 ZINC001011085756 754346584 /nfs/dbraw/zinc/34/65/84/754346584.db2.gz HRGBNLWFMTXFGG-CHWSQXEVSA-N 0 1 323.393 1.293 20 5 DDBDMN O=C(CCC1CC1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017441123 757936543 /nfs/dbraw/zinc/93/65/43/757936543.db2.gz VVTBUZJBODKCAC-ZIAGYGMSSA-N 0 1 321.377 1.117 20 5 DDBDMN O=C(NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1ncn[nH]1 ZINC001046872392 768000444 /nfs/dbraw/zinc/00/04/44/768000444.db2.gz WZWYITPRXLSPFT-MGCOHNPYSA-N 0 1 316.321 1.333 20 5 DDBDMN O=C(NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1)c1nc[nH]n1 ZINC001046872392 768000452 /nfs/dbraw/zinc/00/04/52/768000452.db2.gz WZWYITPRXLSPFT-MGCOHNPYSA-N 0 1 316.321 1.333 20 5 DDBDMN O=C(NCc1cccc2c1CCN(CCF)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051291606 764718516 /nfs/dbraw/zinc/71/85/16/764718516.db2.gz USYZKVCDNYOLLX-HUUCEWRRSA-N 0 1 321.352 1.296 20 5 DDBDMN CCc1n[nH]cc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001130724184 767698271 /nfs/dbraw/zinc/69/82/71/767698271.db2.gz IFOQFLQLEVFBQZ-UHFFFAOYSA-N 0 1 317.349 1.400 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2[nH]ncc2F)c1 ZINC001094103610 775479610 /nfs/dbraw/zinc/47/96/10/775479610.db2.gz CSQOHSFITCVSNR-UHFFFAOYSA-N 0 1 307.285 1.607 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1CS(=O)(=O)C1)CC2 ZINC001172896898 776912898 /nfs/dbraw/zinc/91/28/98/776912898.db2.gz TZXRYJDTSFSRHI-LBPRGKRZSA-N 0 1 310.375 1.229 20 5 DDBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)N1CCOCC1 ZINC001173228942 777062496 /nfs/dbraw/zinc/06/24/96/777062496.db2.gz OEOMBOWKGFHWOD-ZDUSSCGKSA-N 0 1 321.377 1.316 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001101975961 777756265 /nfs/dbraw/zinc/75/62/65/777756265.db2.gz VOLDLRNNPLOCBY-UHFFFAOYSA-N 0 1 318.337 1.134 20 5 DDBDMN CCN(Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001116150878 780479812 /nfs/dbraw/zinc/47/98/12/780479812.db2.gz ZMAWRYCLOVVTJG-CQSZACIVSA-N 0 1 322.340 1.813 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC001117243984 780693428 /nfs/dbraw/zinc/69/34/28/780693428.db2.gz NPOXBTOUWCEJDZ-AWEZNQCLSA-N 0 1 321.425 1.404 20 5 DDBDMN CCN(CCNCc1ncc(C2CC2)o1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268449686 840210023 /nfs/dbraw/zinc/21/00/23/840210023.db2.gz LEJGOPVMVCNSKY-VXGBXAGGSA-N 0 1 322.365 1.155 20 5 DDBDMN O=C(NCCc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC001154609883 861277170 /nfs/dbraw/zinc/27/71/70/861277170.db2.gz FIUSBTJHYBUORD-DGCLKSJQSA-N 0 1 300.318 1.401 20 5 DDBDMN COc1ccc(NC(=O)N2CC[N@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1 ZINC001123378084 859204165 /nfs/dbraw/zinc/20/41/65/859204165.db2.gz FFLHXQSLIKNALZ-JTQLQIEISA-N 0 1 306.322 1.525 20 5 DDBDMN C[C@H](NC(=O)[C@H]1CN2CCN1C[C@@H]2C)c1ccc([N+](=O)[O-])cc1 ZINC001124020489 859530120 /nfs/dbraw/zinc/53/01/20/859530120.db2.gz OOAJUAZQBRSMDJ-SLEUVZQESA-N 0 1 318.377 1.160 20 5 DDBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC001153734977 864050872 /nfs/dbraw/zinc/05/08/72/864050872.db2.gz KCZWPPYXUFKCPT-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC001153734977 864050885 /nfs/dbraw/zinc/05/08/85/864050885.db2.gz KCZWPPYXUFKCPT-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN O=C(NCc1ccc2nonc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001158685932 864812641 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20 5 DDBDMN C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295336939 409440846 /nfs/dbraw/zinc/44/08/46/409440846.db2.gz MJQDJEDTFBHFBF-JTQLQIEISA-N 0 1 320.349 1.252 20 5 DDBDMN COc1c(C(=O)NCCCc2cn[nH]c2C)cccc1[N+](=O)[O-] ZINC000322312277 164046969 /nfs/dbraw/zinc/04/69/69/164046969.db2.gz YWYQJCQMVYWCBM-UHFFFAOYSA-N 0 1 318.333 1.998 20 5 DDBDMN C[C@@H]1CN(C2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408462546 164338583 /nfs/dbraw/zinc/33/85/83/164338583.db2.gz AAMDYPAXLPYZLH-LLVKDONJSA-N 0 1 324.356 1.818 20 5 DDBDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798482 409618322 /nfs/dbraw/zinc/61/83/22/409618322.db2.gz GLOLHYMIOYYQEO-LKFCYVNXSA-N 0 1 305.334 1.513 20 5 DDBDMN C[C@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000356867443 409677398 /nfs/dbraw/zinc/67/73/98/409677398.db2.gz YRBZYJRZROCSEU-QWRGUYRKSA-N 0 1 309.341 1.827 20 5 DDBDMN CC[C@H](O)[C@H](CC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313100273 409797032 /nfs/dbraw/zinc/79/70/32/409797032.db2.gz YQZSTIOALRCXBO-ONGXEEELSA-N 0 1 320.342 1.562 20 5 DDBDMN CCCN1CCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354523325 409917963 /nfs/dbraw/zinc/91/79/63/409917963.db2.gz WTSXUCGTYYGEMC-ZDUSSCGKSA-N 0 1 317.349 2.284 20 5 DDBDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000354758198 410065558 /nfs/dbraw/zinc/06/55/58/410065558.db2.gz CPTXTJDAXUXEQK-NSHDSACASA-N 0 1 307.350 1.903 20 5 DDBDMN C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000355176974 410360686 /nfs/dbraw/zinc/36/06/86/410360686.db2.gz KZJHMDOIFJJBPE-LKFCYVNXSA-N 0 1 310.354 1.625 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC000343328988 410361919 /nfs/dbraw/zinc/36/19/19/410361919.db2.gz BHYUSLZDLRTNDC-QMMMGPOBSA-N 0 1 321.341 1.102 20 5 DDBDMN CC1=CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000355332113 410447108 /nfs/dbraw/zinc/44/71/08/410447108.db2.gz FXGCQWULLLEQNN-UHFFFAOYSA-N 0 1 318.377 1.775 20 5 DDBDMN COC(=O)COc1ccc(CN2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000355595390 410600204 /nfs/dbraw/zinc/60/02/04/410600204.db2.gz HAKOXHIFFBCXNF-LBPRGKRZSA-N 0 1 324.333 1.103 20 5 DDBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000355622117 410612905 /nfs/dbraw/zinc/61/29/05/410612905.db2.gz AJIXVUFWCPAURY-UHFFFAOYSA-N 0 1 314.252 1.789 20 5 DDBDMN O=c1[nH]nc2n1CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC000352359773 410643448 /nfs/dbraw/zinc/64/34/48/410643448.db2.gz JQQWWGQDSAELEW-UHFFFAOYSA-N 0 1 312.289 1.460 20 5 DDBDMN C[C@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000301095795 410655213 /nfs/dbraw/zinc/65/52/13/410655213.db2.gz NKNCEVFAGDVEPZ-LBPRGKRZSA-N 0 1 306.366 1.679 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000353045114 410755260 /nfs/dbraw/zinc/75/52/60/410755260.db2.gz HFXZEKDWGTUKDC-NSHDSACASA-N 0 1 312.391 1.959 20 5 DDBDMN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000347936752 410804378 /nfs/dbraw/zinc/80/43/78/410804378.db2.gz XPHBWWYBAQHSAN-AWEZNQCLSA-N 0 1 307.325 1.900 20 5 DDBDMN CCOc1ccc(C(=O)NC(C)(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000359787676 410882461 /nfs/dbraw/zinc/88/24/61/410882461.db2.gz MJMAMHKPZPTUOQ-UHFFFAOYSA-N 0 1 320.309 1.172 20 5 DDBDMN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000330605430 410820742 /nfs/dbraw/zinc/82/07/42/410820742.db2.gz HPBKVMZVOSBLBM-WDEREUQCSA-N 0 1 307.350 1.855 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+]1C ZINC000331135295 410969369 /nfs/dbraw/zinc/96/93/69/410969369.db2.gz KHKZBGYDEBFGLC-GFCCVEGCSA-N 0 1 308.338 1.108 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+]1C ZINC000331135295 410969374 /nfs/dbraw/zinc/96/93/74/410969374.db2.gz KHKZBGYDEBFGLC-GFCCVEGCSA-N 0 1 308.338 1.108 20 5 DDBDMN COc1ccc(CNCc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000344324846 411091258 /nfs/dbraw/zinc/09/12/58/411091258.db2.gz LBLITZDGGCJHEJ-UHFFFAOYSA-N 0 1 304.306 1.697 20 5 DDBDMN CN(C[C@H]1CCC[C@@H]1O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000129196640 196028744 /nfs/dbraw/zinc/02/87/44/196028744.db2.gz NKUMOTPDWFMRKZ-RNCFNFMXSA-N 0 1 318.333 1.704 20 5 DDBDMN C[C@H](O)CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295416726 224810368 /nfs/dbraw/zinc/81/03/68/224810368.db2.gz PDSHXADIRLWTNM-VIFPVBQESA-N 0 1 304.306 1.438 20 5 DDBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000373809447 418462548 /nfs/dbraw/zinc/46/25/48/418462548.db2.gz JENQDCOINKARCE-HNNXBMFYSA-N 0 1 324.381 1.451 20 5 DDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000373859017 418467725 /nfs/dbraw/zinc/46/77/25/418467725.db2.gz KMBCLHYPWFLTQG-CRQFQMBKSA-N 0 1 308.378 1.848 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)c2cnn(C)c2)c1[N+](=O)[O-] ZINC000192851897 222137219 /nfs/dbraw/zinc/13/72/19/222137219.db2.gz NBXOBPHJXLCGIX-QMMMGPOBSA-N 0 1 306.326 1.447 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2[nH]nc3c2cccc3Cl)n1 ZINC000357919747 418651818 /nfs/dbraw/zinc/65/18/18/418651818.db2.gz AKHSDMJGFJZJJF-UHFFFAOYSA-N 0 1 320.696 2.110 20 5 DDBDMN COc1cc(CN2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000367988161 418670426 /nfs/dbraw/zinc/67/04/26/418670426.db2.gz JAJTUWBXYRKKAY-VIFPVBQESA-N 0 1 311.313 1.440 20 5 DDBDMN C[C@@H]1Oc2c(cccc2F)[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000371307548 418776040 /nfs/dbraw/zinc/77/60/40/418776040.db2.gz GFNIBUXOWRCVQU-WKEGUHRASA-N 0 1 306.253 1.709 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCN(c2ccc(F)cc2)CC1 ZINC000371451575 418792495 /nfs/dbraw/zinc/79/24/95/418792495.db2.gz FYMTVHKJHWQHEW-UONOGXRCSA-N 0 1 307.325 1.530 20 5 DDBDMN O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1CC1[N+](=O)[O-] ZINC000364679177 418799387 /nfs/dbraw/zinc/79/93/87/418799387.db2.gz QYFUFOGUTRMAOR-STQMWFEESA-N 0 1 319.292 1.805 20 5 DDBDMN COc1ccc(CC(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000571873950 304491808 /nfs/dbraw/zinc/49/18/08/304491808.db2.gz KVPMYNIBLQEXGA-PHIMTYICSA-N 0 1 307.350 1.355 20 5 DDBDMN Cc1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000372334082 418857488 /nfs/dbraw/zinc/85/74/88/418857488.db2.gz QDKIMZBNDUHSCH-NSHDSACASA-N 0 1 300.318 1.914 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3cn[nH]c32)n1 ZINC000427612425 419692695 /nfs/dbraw/zinc/69/26/95/419692695.db2.gz NJEKSYSSUIOGEY-VIFPVBQESA-N 0 1 304.310 1.342 20 5 DDBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CCN1CCO ZINC000413254913 419775742 /nfs/dbraw/zinc/77/57/42/419775742.db2.gz ZVSUSFHVUSGVAJ-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN COc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000429419467 420016941 /nfs/dbraw/zinc/01/69/41/420016941.db2.gz QZHZDEBQCHZHRZ-UWVGGRQHSA-N 0 1 323.349 1.434 20 5 DDBDMN O=C(N[C@@H](CO)CC(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430540397 420131680 /nfs/dbraw/zinc/13/16/80/420131680.db2.gz MXCXVVJWPIIEFA-ZCFIWIBFSA-N 0 1 314.248 1.217 20 5 DDBDMN COc1c(C(=O)NC2(c3nnc[nH]3)CCC2)cccc1[N+](=O)[O-] ZINC000435835898 420287651 /nfs/dbraw/zinc/28/76/51/420287651.db2.gz OHLQZKSWDLWOSA-UHFFFAOYSA-N 0 1 317.305 1.531 20 5 DDBDMN COC(=O)c1ccc(O)c(NC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000436514247 420335344 /nfs/dbraw/zinc/33/53/44/420335344.db2.gz OTLDZMUZZBETAQ-UHFFFAOYSA-N 0 1 320.261 1.073 20 5 DDBDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436832504 420375685 /nfs/dbraw/zinc/37/56/85/420375685.db2.gz WBTRRVNNJZAOHN-NSHDSACASA-N 0 1 307.350 1.903 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452792474 420663372 /nfs/dbraw/zinc/66/33/72/420663372.db2.gz GFTCIJVEXMWCRO-HNNXBMFYSA-N 0 1 321.377 1.100 20 5 DDBDMN CCc1n[nH]c(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382640 421150433 /nfs/dbraw/zinc/15/04/33/421150433.db2.gz BQZFXQODBQHFQK-NSHDSACASA-N 0 1 309.370 1.293 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000489382640 421150435 /nfs/dbraw/zinc/15/04/35/421150435.db2.gz BQZFXQODBQHFQK-NSHDSACASA-N 0 1 309.370 1.293 20 5 DDBDMN C[C@H](O)CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450455138 421199582 /nfs/dbraw/zinc/19/95/82/421199582.db2.gz UBVPXRKWEGQNIV-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000562760931 421411148 /nfs/dbraw/zinc/41/11/48/421411148.db2.gz FHCWZUNUDJIWQN-RQJHMYQMSA-N 0 1 307.314 1.441 20 5 DDBDMN Cc1ccnc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000516762651 421565720 /nfs/dbraw/zinc/56/57/20/421565720.db2.gz HIXSXWXKFFKJEL-AWEZNQCLSA-N 0 1 317.345 1.828 20 5 DDBDMN C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000542778288 421829161 /nfs/dbraw/zinc/82/91/61/421829161.db2.gz DUMOQPCISBFGGK-SECBINFHSA-N 0 1 320.309 1.152 20 5 DDBDMN CO[C@@H]1C[C@@H](CC(=O)[O-])[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000572489774 421794923 /nfs/dbraw/zinc/79/49/23/421794923.db2.gz CTOWFPIUVYYFMV-VHSXEESVSA-N 0 1 300.336 1.720 20 5 DDBDMN CO[C@@H]1C[C@@H](CC(=O)[O-])[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000572489774 421794926 /nfs/dbraw/zinc/79/49/26/421794926.db2.gz CTOWFPIUVYYFMV-VHSXEESVSA-N 0 1 300.336 1.720 20 5 DDBDMN CC[C@@H]1CN(C)CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000580889236 421856503 /nfs/dbraw/zinc/85/65/03/421856503.db2.gz XSOLQUHBGXHIEP-CYBMUJFWSA-N 0 1 320.393 1.868 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000575929039 422348841 /nfs/dbraw/zinc/34/88/41/422348841.db2.gz LMWRYOUWJOKLGQ-OAHLLOKOSA-N 0 1 324.333 1.397 20 5 DDBDMN COC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000342319106 271374696 /nfs/dbraw/zinc/37/46/96/271374696.db2.gz BMDLJDCCWRPLTN-ZDUSSCGKSA-N 0 1 308.313 1.908 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000344458599 272030238 /nfs/dbraw/zinc/03/02/38/272030238.db2.gz FVGFOVAAXOJXNI-UHFFFAOYSA-N 0 1 300.278 1.615 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)CCc2ccccc2O)c1[N+](=O)[O-] ZINC000345579034 272283577 /nfs/dbraw/zinc/28/35/77/272283577.db2.gz ZSHKQXFTAZEEDE-UHFFFAOYSA-N 0 1 304.306 1.647 20 5 DDBDMN COCCN1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450233765 274032043 /nfs/dbraw/zinc/03/20/43/274032043.db2.gz OTICUBQPSYDWMQ-UHFFFAOYSA-N 0 1 316.361 1.911 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000266326251 274118361 /nfs/dbraw/zinc/11/83/61/274118361.db2.gz GGUIRBWWCXXQEK-NWDGAFQWSA-N 0 1 309.366 1.495 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1[N+](=O)[O-] ZINC000408187505 278001406 /nfs/dbraw/zinc/00/14/06/278001406.db2.gz OBTFMTJQLAEROG-LPEHRKFASA-N 0 1 308.338 1.284 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[N@H+]1C ZINC000331106883 280007500 /nfs/dbraw/zinc/00/75/00/280007500.db2.gz ADTMQEKDURSIGM-ZDUSSCGKSA-N 0 1 307.350 1.713 20 5 DDBDMN Cc1cc(N2CC[C@@H](NC(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272784614 280568959 /nfs/dbraw/zinc/56/89/59/280568959.db2.gz BCAVBHMKVIWLRE-SNVBAGLBSA-N 0 1 315.333 1.698 20 5 DDBDMN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000124096483 281183963 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DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000377593896 307274074 /nfs/dbraw/zinc/27/40/74/307274074.db2.gz TVGSPFFURKVZMG-JTQLQIEISA-N 0 1 318.337 1.554 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491550177 534332526 /nfs/dbraw/zinc/33/25/26/534332526.db2.gz YYZOOKYFYJBTRP-WAYWQWQTSA-N 0 1 301.306 1.393 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)N(C)[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000433757216 527998775 /nfs/dbraw/zinc/99/87/75/527998775.db2.gz IRFIDUWCZQBPRU-NSHDSACASA-N 0 1 321.381 1.608 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000433757216 527998778 /nfs/dbraw/zinc/99/87/78/527998778.db2.gz IRFIDUWCZQBPRU-NSHDSACASA-N 0 1 321.381 1.608 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH]nnc3c2)c1[N+](=O)[O-] ZINC000434017850 528001448 /nfs/dbraw/zinc/00/14/48/528001448.db2.gz UTAAFKDPRRFYOE-UHFFFAOYSA-N 0 1 315.293 1.965 20 5 DDBDMN CCOc1cc(N2CCN(CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000302485922 528311399 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321.333 1.458 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000833907712 605642336 /nfs/dbraw/zinc/64/23/36/605642336.db2.gz RBHWHUSBXJOFDJ-NSHDSACASA-N 0 1 308.338 1.291 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000833907712 605642339 /nfs/dbraw/zinc/64/23/39/605642339.db2.gz RBHWHUSBXJOFDJ-NSHDSACASA-N 0 1 308.338 1.291 20 5 DDBDMN O=C([O-])NC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834220692 605817571 /nfs/dbraw/zinc/81/75/71/605817571.db2.gz QMVAXNUHMVIEOT-KGLIPLIRSA-N 0 1 323.349 1.750 20 5 DDBDMN O=C(CC1CCCC1)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978796135 696459829 /nfs/dbraw/zinc/45/98/29/696459829.db2.gz QXLJNRDMKKDLHP-XJFOESAGSA-N 0 1 323.393 1.243 20 5 DDBDMN O=C(OCCn1ccc([N+](=O)[O-])n1)c1c(F)cc(O)cc1F ZINC000748127372 700100995 /nfs/dbraw/zinc/10/09/95/700100995.db2.gz SAEODAFGNPDWKQ-UHFFFAOYSA-N 0 1 313.216 1.632 20 5 DDBDMN CC[C@@H](CO)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589159 698123176 /nfs/dbraw/zinc/12/31/76/698123176.db2.gz PQXRKPRRYPZSIK-GOEBONIOSA-N 0 1 323.393 1.017 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(O)(C(F)F)CC2)cc1 ZINC000778309368 698260010 /nfs/dbraw/zinc/26/00/10/698260010.db2.gz UOICSLGXMDQLCS-LBPRGKRZSA-N 0 1 316.304 1.720 20 5 DDBDMN Cn1ccnc1[C@H](N[C@@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000780765201 698558451 /nfs/dbraw/zinc/55/84/51/698558451.db2.gz WYDDVCKNDXLRGL-UKRRQHHQSA-N 0 1 315.377 1.711 20 5 DDBDMN O=C(CC1CCCCCC1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991289475 699292672 /nfs/dbraw/zinc/29/26/72/699292672.db2.gz GOWMYFWUUWIBJO-ZIAGYGMSSA-N 0 1 323.393 1.339 20 5 DDBDMN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)NC ZINC000735870759 699707956 /nfs/dbraw/zinc/70/79/56/699707956.db2.gz YRTKZUWAYVBSLR-UHFFFAOYSA-N 0 1 322.365 1.300 20 5 DDBDMN C[N@H+](CCCNC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739682446 699777624 /nfs/dbraw/zinc/77/76/24/699777624.db2.gz PQRLVTHVOQXTHX-UHFFFAOYSA-N 0 1 310.310 1.123 20 5 DDBDMN C[N@@H+](CCCNC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739682446 699777625 /nfs/dbraw/zinc/77/76/25/699777625.db2.gz PQRLVTHVOQXTHX-UHFFFAOYSA-N 0 1 310.310 1.123 20 5 DDBDMN Cc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000758425939 700705108 /nfs/dbraw/zinc/70/51/08/700705108.db2.gz PLFXIAJPWQELCM-UHFFFAOYSA-N 0 1 308.319 1.802 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](CCO)C3CC3)o2)cc1 ZINC000763062322 700923333 /nfs/dbraw/zinc/92/33/33/700923333.db2.gz DHWBCMXOEMICFF-ZDUSSCGKSA-N 0 1 318.333 1.895 20 5 DDBDMN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839539769 701730212 /nfs/dbraw/zinc/73/02/12/701730212.db2.gz OCEKHYJXFYWVHV-LERXQTSPSA-N 0 1 319.361 1.496 20 5 DDBDMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000839539503 701730294 /nfs/dbraw/zinc/73/02/94/701730294.db2.gz VRPYSOAZRUPZSD-LYIQGSDWSA-N 0 1 320.349 1.299 20 5 DDBDMN COc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000839648011 701766018 /nfs/dbraw/zinc/76/60/18/701766018.db2.gz YNYUTWMKJQTSLS-LERXQTSPSA-N 0 1 305.334 1.055 20 5 DDBDMN COC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)cc1 ZINC000839664853 701771703 /nfs/dbraw/zinc/77/17/03/701771703.db2.gz DFHCOECRKRUMMD-FRRDWIJNSA-N 0 1 306.318 1.033 20 5 DDBDMN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839680417 701781833 /nfs/dbraw/zinc/78/18/33/701781833.db2.gz PPYHPGJRUFCBAS-BXKDBHETSA-N 0 1 307.281 1.556 20 5 DDBDMN COc1cc(N)c([N+](=O)[O-])cc1C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000840494034 702129262 /nfs/dbraw/zinc/12/92/62/702129262.db2.gz YRXIBKTVUMKYBA-ZCFIWIBFSA-N 0 1 321.293 1.530 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000840494098 702129480 /nfs/dbraw/zinc/12/94/80/702129480.db2.gz KHOXSIQJAHSGRG-ZETCQYMHSA-N 0 1 306.278 1.948 20 5 DDBDMN CCCc1[nH]nc(C(=O)O[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000840537977 702146452 /nfs/dbraw/zinc/14/64/52/702146452.db2.gz LYQXEKMYPJWOGU-ZCFIWIBFSA-N 0 1 308.298 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O=C(N[C@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000288669905 220335880 /nfs/dbraw/zinc/33/58/80/220335880.db2.gz ZFCNQZIRMPSUQE-ZDUSSCGKSA-N 0 1 307.350 1.171 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000156149008 197089661 /nfs/dbraw/zinc/08/96/61/197089661.db2.gz YQYCVPKIILYLFW-SSDOTTSWSA-N 0 1 306.282 1.604 20 5 DDBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCN1 ZINC000155064709 197018767 /nfs/dbraw/zinc/01/87/67/197018767.db2.gz LTZQTTCYJISGTA-LBPRGKRZSA-N 0 1 318.377 1.629 20 5 DDBDMN CC(C)[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120681851 195215244 /nfs/dbraw/zinc/21/52/44/195215244.db2.gz MYDQGOYWTPKKRU-JTQLQIEISA-N 0 1 306.315 1.029 20 5 DDBDMN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCC1(F)F ZINC000289664187 221138376 /nfs/dbraw/zinc/13/83/76/221138376.db2.gz FNCAMXUEVXLLEI-JTQLQIEISA-N 0 1 301.293 1.734 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000295897574 533658692 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CCc1n[nH]c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000122856339 407312848 /nfs/dbraw/zinc/31/28/48/407312848.db2.gz RHXBJOUMDQBCLL-UHFFFAOYSA-N 0 1 304.310 1.350 20 5 DDBDMN CNC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000111268394 407404339 /nfs/dbraw/zinc/40/43/39/407404339.db2.gz SRIISTRUSFWPRN-LLVKDONJSA-N 0 1 307.350 1.561 20 5 DDBDMN C[C@@H](C[S@](C)=O)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126468918 407413773 /nfs/dbraw/zinc/41/37/73/407413773.db2.gz LLGLWCJQYKMWLV-PRWKNARSSA-N 0 1 300.380 1.672 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC(CC)(CO)CC2)c1[N+](=O)[O-] ZINC000270979409 407448128 /nfs/dbraw/zinc/44/81/28/407448128.db2.gz VEIUCMJWLXSAJH-UHFFFAOYSA-N 0 1 310.354 1.505 20 5 DDBDMN C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185820226 407510654 /nfs/dbraw/zinc/51/06/54/407510654.db2.gz QTDXWVQKRDJVPU-WPRPVWTQSA-N 0 1 306.322 1.050 20 5 DDBDMN C[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185820226 407510660 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CC(C)CN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180604971 407903953 /nfs/dbraw/zinc/90/39/53/407903953.db2.gz UNGNVLDPQAZIAQ-UHFFFAOYSA-N 0 1 306.366 1.591 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153907164 407930426 /nfs/dbraw/zinc/93/04/26/407930426.db2.gz DHIYFRYRWXJRJG-PWSUYJOCSA-N 0 1 307.350 1.713 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000268408176 408033963 /nfs/dbraw/zinc/03/39/63/408033963.db2.gz GLTKUPWVZRBLSZ-MNOVXSKESA-N 0 1 320.349 1.990 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000155655259 408192464 /nfs/dbraw/zinc/19/24/64/408192464.db2.gz JGQPYPZHMRXPGD-MRVPVSSYSA-N 0 1 303.278 1.075 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000269378521 408288466 /nfs/dbraw/zinc/28/84/66/408288466.db2.gz ISXYTJTXMWTNIR-VHSXEESVSA-N 0 1 308.338 1.835 20 5 DDBDMN CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264107097 408368126 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O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(C2CCC2)n[nH]1 ZINC000184632949 263389426 /nfs/dbraw/zinc/38/94/26/263389426.db2.gz MHNXPFOEIWXBRY-UHFFFAOYSA-N 0 1 317.305 1.998 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1n[nH]c(C2CCC2)n1 ZINC000184632949 263389427 /nfs/dbraw/zinc/38/94/27/263389427.db2.gz MHNXPFOEIWXBRY-UHFFFAOYSA-N 0 1 317.305 1.998 20 5 DDBDMN CC[C@@H](C[C@H](C)CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000345073335 272168050 /nfs/dbraw/zinc/16/80/50/272168050.db2.gz XDROSQUNUZMUJX-UWVGGRQHSA-N 0 1 320.349 1.998 20 5 DDBDMN Cc1cc(C(=O)NC2(c3nn[nH]n3)CCCC2)cc([N+](=O)[O-])c1 ZINC000346337540 272458494 /nfs/dbraw/zinc/45/84/94/272458494.db2.gz SSDIOHFYBCZGFE-UHFFFAOYSA-N 0 1 316.321 1.616 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000331477308 276041251 /nfs/dbraw/zinc/04/12/51/276041251.db2.gz AHLFRXFTHQXSCY-MNOVXSKESA-N 0 1 322.365 1.940 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000331487411 278001397 /nfs/dbraw/zinc/00/13/97/278001397.db2.gz MMOFINYFPGYNHL-HBNTYKKESA-N 0 1 322.365 1.674 20 5 DDBDMN Cc1nc(CN2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000302192050 279083347 /nfs/dbraw/zinc/08/33/47/279083347.db2.gz VZBOICOOOKLBPG-UHFFFAOYSA-N 0 1 320.328 1.483 20 5 DDBDMN Cc1nc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])c(C)n2)n[nH]1 ZINC000450508138 279106117 /nfs/dbraw/zinc/10/61/17/279106117.db2.gz YBGHZZIDQKANFN-JTQLQIEISA-N 0 1 303.326 1.851 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000272515176 290230860 /nfs/dbraw/zinc/23/08/60/290230860.db2.gz YDDFSEMUUHELSZ-GXFFZTMASA-N 0 1 305.334 1.467 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)CCC(=O)OCC)c1[N+](=O)[O-] ZINC000171805416 298236009 /nfs/dbraw/zinc/23/60/09/298236009.db2.gz WJWPJEHTUZAROK-UHFFFAOYSA-N 0 1 312.326 1.296 20 5 DDBDMN CC(C)c1nc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000357934241 299024944 /nfs/dbraw/zinc/02/49/44/299024944.db2.gz KOZCCSXWALYHIQ-ZETCQYMHSA-N 0 1 307.314 1.061 20 5 DDBDMN Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)c(C)c1 ZINC000363651749 300293042 /nfs/dbraw/zinc/29/30/42/300293042.db2.gz OIHOASOUXGESBE-ZNMIVQPWSA-N 0 1 304.346 1.869 20 5 DDBDMN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000364097561 300344309 /nfs/dbraw/zinc/34/43/09/300344309.db2.gz MKCDIDQZXXNXEP-AEGPPILISA-N 0 1 303.362 1.684 20 5 DDBDMN O=C(NCc1ccnc(N2CCCCCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000369080439 301129368 /nfs/dbraw/zinc/12/93/68/301129368.db2.gz FKZBQBYBIAXXEK-ZIAGYGMSSA-N 0 1 318.377 1.743 20 5 DDBDMN O=C1CCCCN1[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000370025039 301260576 /nfs/dbraw/zinc/26/05/76/301260576.db2.gz CFGITGFRIBQGQC-ZDUSSCGKSA-N 0 1 321.381 1.268 20 5 DDBDMN O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1n[nH]cc1[N+](=O)[O-] ZINC000378392486 302321150 /nfs/dbraw/zinc/32/11/50/302321150.db2.gz SSIUIHCMFQNYNG-AAEUAGOBSA-N 0 1 316.317 1.826 20 5 DDBDMN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000523435228 302897072 /nfs/dbraw/zinc/89/70/72/302897072.db2.gz PCESIDRQQVSJLI-UHFFFAOYSA-N 0 1 318.377 1.975 20 5 DDBDMN Cc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC000361830405 307008244 /nfs/dbraw/zinc/00/82/44/307008244.db2.gz MHPPHEZUMKBNGB-JSGCOSHPSA-N 0 1 306.366 1.334 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254135 307015701 /nfs/dbraw/zinc/01/57/01/307015701.db2.gz BOCBYPWNTBCYJH-CMPLNLGQSA-N 0 1 321.381 1.437 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000362254135 307015702 /nfs/dbraw/zinc/01/57/02/307015702.db2.gz BOCBYPWNTBCYJH-CMPLNLGQSA-N 0 1 321.381 1.437 20 5 DDBDMN O=[N+]([O-])c1ccc(F)cc1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000364191283 307043155 /nfs/dbraw/zinc/04/31/55/307043155.db2.gz RTNHXBBSBOPFGP-UKRRQHHQSA-N 0 1 309.341 1.769 20 5 DDBDMN CN(C(=O)[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1 ZINC000366754341 307080524 /nfs/dbraw/zinc/08/05/24/307080524.db2.gz BYQDSPRRCOUJHP-MRVWCRGKSA-N 0 1 317.345 1.163 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H](CO)C1 ZINC000371271347 307146074 /nfs/dbraw/zinc/14/60/74/307146074.db2.gz PSTNBGJXWQBDME-SNVBAGLBSA-N 0 1 318.333 1.706 20 5 DDBDMN CCCc1n[nH]c(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000371274871 307146267 /nfs/dbraw/zinc/14/62/67/307146267.db2.gz XRZBGVJFNXRVBE-QMMMGPOBSA-N 0 1 318.337 1.281 20 5 DDBDMN Cc1cc([C@H]2CCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000371438359 307149520 /nfs/dbraw/zinc/14/95/20/307149520.db2.gz HAYFTDIZEDPWSQ-JTQLQIEISA-N 0 1 318.337 1.380 20 5 DDBDMN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000371706254 307156690 /nfs/dbraw/zinc/15/66/90/307156690.db2.gz NQBQLADDUKAKAF-MRVWCRGKSA-N 0 1 320.320 1.912 20 5 DDBDMN COc1cc(C[N@H+]2C[C@@H](OC)C[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568402748 308117573 /nfs/dbraw/zinc/11/75/73/308117573.db2.gz UTIWDTBGBHMDDR-NEPJUHHUSA-N 0 1 324.333 1.667 20 5 DDBDMN O=C([O-])c1cc(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000579359814 308526287 /nfs/dbraw/zinc/52/62/87/308526287.db2.gz UTDKHQGALLXBSA-UHFFFAOYSA-N 0 1 317.305 1.343 20 5 DDBDMN CC1(C)CCC[N@H+]1CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000583796934 337334297 /nfs/dbraw/zinc/33/42/97/337334297.db2.gz MVJMYVHYRRLFDX-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN O=C1N=NCN1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583847565 337341727 /nfs/dbraw/zinc/34/17/27/337341727.db2.gz JBOQLTGBQQUTHP-UHFFFAOYSA-N 0 1 303.322 1.729 20 5 DDBDMN CC(=O)[C@H](NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451107551 527149852 /nfs/dbraw/zinc/14/98/52/527149852.db2.gz ZKXZZBFXICPLDB-MEDUHNTESA-N 0 1 321.377 1.975 20 5 DDBDMN O=C(OCc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000738230575 598433959 /nfs/dbraw/zinc/43/39/59/598433959.db2.gz HFLQMUPWQIEZCJ-UHFFFAOYSA-N 0 1 314.261 1.460 20 5 DDBDMN CCc1cc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])n[nH]1 ZINC000736675381 598775182 /nfs/dbraw/zinc/77/51/82/598775182.db2.gz KXQFEZFRLRXCRP-UHFFFAOYSA-N 0 1 314.309 1.673 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000819029680 602187871 /nfs/dbraw/zinc/18/78/71/602187871.db2.gz DQAZQXTWFKFRPQ-SNVBAGLBSA-N 0 1 304.306 1.617 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740253973 602525302 /nfs/dbraw/zinc/52/53/02/602525302.db2.gz RXVLBHBQKLZOBF-NSHDSACASA-N 0 1 311.342 1.297 20 5 DDBDMN Cc1nn(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740253973 602525303 /nfs/dbraw/zinc/52/53/03/602525303.db2.gz RXVLBHBQKLZOBF-NSHDSACASA-N 0 1 311.342 1.297 20 5 DDBDMN CN(C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000828179769 603993782 /nfs/dbraw/zinc/99/37/82/603993782.db2.gz CTGAHRFYXPGUNA-LLVKDONJSA-N 0 1 311.342 1.113 20 5 DDBDMN NC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863237 697936394 /nfs/dbraw/zinc/93/63/94/697936394.db2.gz LWUZPEYNYVDTKR-LLVKDONJSA-N 0 1 322.321 1.733 20 5 DDBDMN Cc1nnc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000781964008 698666910 /nfs/dbraw/zinc/66/69/10/698666910.db2.gz FIXSCLAAPMFBCE-UHFFFAOYSA-N 0 1 320.265 1.501 20 5 DDBDMN C[C@H](C[C@H](C)[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320019547 698717005 /nfs/dbraw/zinc/71/70/05/698717005.db2.gz AXCIYNFKWZQJCJ-JGVFFNPUSA-N 0 1 305.331 1.138 20 5 DDBDMN O=C(Nc1c[nH]nn1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000789926270 699422819 /nfs/dbraw/zinc/42/28/19/699422819.db2.gz PMIGJGKGXDUBJD-UHFFFAOYSA-N 0 1 300.234 1.219 20 5 DDBDMN CCc1cc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000732792175 699570367 /nfs/dbraw/zinc/57/03/67/699570367.db2.gz YOFPBECFLZWKPI-UHFFFAOYSA-N 0 1 306.326 1.092 20 5 DDBDMN O=C(NC[C@H]1CCCN(CC[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000791055284 699609258 /nfs/dbraw/zinc/60/92/58/699609258.db2.gz RHVLJIFRZAPHGS-GFCCVEGCSA-N 0 1 324.356 1.936 20 5 DDBDMN O=[N+]([O-])c1ccnn1CN1CCC(CCN2CCOCC2)CC1 ZINC000738111757 699752629 /nfs/dbraw/zinc/75/26/29/699752629.db2.gz PVMRUZHXBOSFHF-UHFFFAOYSA-N 0 1 323.397 1.183 20 5 DDBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nnc[nH]1 ZINC000755392032 700564083 /nfs/dbraw/zinc/56/40/83/700564083.db2.gz HQQBHHPQTNBFJD-JXMROGBWSA-N 0 1 301.306 1.775 20 5 DDBDMN O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839682209 701781629 /nfs/dbraw/zinc/78/16/29/701781629.db2.gz ZTEOOUPVEBANLF-FBIMIBRVSA-N 0 1 319.144 1.808 20 5 DDBDMN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687168 701783812 /nfs/dbraw/zinc/78/38/12/701783812.db2.gz XCMJLJXOHPFWMK-GMTAPVOTSA-N 0 1 319.144 1.808 20 5 DDBDMN COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839716560 701795302 /nfs/dbraw/zinc/79/53/02/701795302.db2.gz AOSNDKDESXEWBV-BFHYXJOUSA-N 0 1 320.345 1.332 20 5 DDBDMN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839735083 701802328 /nfs/dbraw/zinc/80/23/28/701802328.db2.gz VRFHRLJGDAAMQP-JTNHKYCSSA-N 0 1 307.325 1.528 20 5 DDBDMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])Oc1cc(F)cc(F)c1 ZINC000839763199 701815503 /nfs/dbraw/zinc/81/55/03/701815503.db2.gz LKCWRVMQHGBQKB-VXGBXAGGSA-N 0 1 314.288 1.904 20 5 DDBDMN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC1[N+](=O)[O-] ZINC000839777202 701823595 /nfs/dbraw/zinc/82/35/95/701823595.db2.gz PCBIBBANRUUPLL-DGCLKSJQSA-N 0 1 318.289 1.400 20 5 DDBDMN O=C(NCc1c(Cl)cccc1-n1ccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839777384 701823735 /nfs/dbraw/zinc/82/37/35/701823735.db2.gz CISRVBMZMDHRSK-NOZJJQNGSA-N 0 1 320.736 1.807 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000840284927 702055552 /nfs/dbraw/zinc/05/55/52/702055552.db2.gz NLVWBASCNSFLQD-YFKPBYRVSA-N 0 1 309.257 1.661 20 5 DDBDMN CCCN1C[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000840665487 702192352 /nfs/dbraw/zinc/19/23/52/702192352.db2.gz JVZHVDYGPNIWPK-JTQLQIEISA-N 0 1 322.317 1.602 20 5 DDBDMN Cc1ccccc1-c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC000840670594 702194037 /nfs/dbraw/zinc/19/40/37/702194037.db2.gz ISEQUDKVHGADIK-GHMZBOCLSA-N 0 1 303.274 1.753 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000840672372 702195830 /nfs/dbraw/zinc/19/58/30/702195830.db2.gz KBYDOBIYYHAIFD-OJEZURLMSA-N 0 1 312.366 1.524 20 5 DDBDMN Cc1ccc([C@H](C)NC(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000840672330 702195852 /nfs/dbraw/zinc/19/58/52/702195852.db2.gz IYKYXPOXOZRMDH-IACUBPJLSA-N 0 1 320.345 1.689 20 5 DDBDMN CC(C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000817037993 702258450 /nfs/dbraw/zinc/25/84/50/702258450.db2.gz ASOUKRVMLNQKCG-UHFFFAOYSA-N 0 1 319.277 1.891 20 5 DDBDMN C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1csnn1 ZINC000841564212 702499753 /nfs/dbraw/zinc/49/97/53/702499753.db2.gz FPPUKGDCSDHYRI-RXMQYKEDSA-N 0 1 320.377 1.547 20 5 DDBDMN C[C@H](CN1Cc2ccccc2C1=O)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842362202 702708801 /nfs/dbraw/zinc/70/88/01/702708801.db2.gz GZOISYUTJOSBOJ-OASPWFOLSA-N 0 1 304.302 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320.345 1.931 20 5 DDBDMN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000932053081 714247043 /nfs/dbraw/zinc/24/70/43/714247043.db2.gz AMRBVGSSJWFUHV-VNHYZAJKSA-N 0 1 320.345 1.931 20 5 DDBDMN CC(C)N1CCC[C@@H]1C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000923888148 714484843 /nfs/dbraw/zinc/48/48/43/714484843.db2.gz BYMHKKQBTGBGJV-CYBMUJFWSA-N 0 1 323.349 1.173 20 5 DDBDMN CN1CC[C@@H]1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000925410424 714846636 /nfs/dbraw/zinc/84/66/36/714846636.db2.gz RNDCEQFXXKGJLE-OAHLLOKOSA-N 0 1 318.377 1.973 20 5 DDBDMN CN1CCO[C@@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@@H]21 ZINC001164666140 719391574 /nfs/dbraw/zinc/39/15/74/719391574.db2.gz JJVUPWXEAOJVJT-LSDHHAIUSA-N 0 1 314.345 1.662 20 5 DDBDMN Cn1c(-c2ccc([N+](=O)[O-])o2)nnc1N1CCN(C2CC2)CC1 ZINC001121298132 782448246 /nfs/dbraw/zinc/44/82/46/782448246.db2.gz UUDFJNHYVACXAQ-UHFFFAOYSA-N 0 1 318.337 1.268 20 5 DDBDMN Cc1ccc(C(=O)NCCNCc2ccccc2[N+](=O)[O-])nn1 ZINC001126925997 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/nfs/dbraw/zinc/40/77/89/871407789.db2.gz DHFLEJQMWDNEQQ-NWDGAFQWSA-N 0 1 322.340 1.643 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nnc(C(F)F)s1 ZINC001341457632 871664779 /nfs/dbraw/zinc/66/47/79/871664779.db2.gz WYMCNGBFZHSKBI-UHFFFAOYSA-N 0 1 304.238 1.370 20 5 DDBDMN Cc1nc(CN2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC001313445526 871807561 /nfs/dbraw/zinc/80/75/61/871807561.db2.gz WZUQHFYHWCGMEB-DGCLKSJQSA-N 0 1 324.406 1.069 20 5 DDBDMN CC(C)(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001344194050 872926310 /nfs/dbraw/zinc/92/63/10/872926310.db2.gz LZVSSPHHLLRLGO-WRWGMCAJSA-N 0 1 311.382 1.099 20 5 DDBDMN O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1c[nH]nc1Cl ZINC001208912939 874522427 /nfs/dbraw/zinc/52/24/27/874522427.db2.gz NJYNQNFIEDJWMC-UHFFFAOYSA-N 0 1 321.673 1.878 20 5 DDBDMN Cc1[nH]ncc1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC001213351784 875904919 /nfs/dbraw/zinc/90/49/19/875904919.db2.gz LWHXQQNJAFNCST-UHFFFAOYSA-N 0 1 324.362 1.755 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](OCc2nn[nH]n2)C(F)(F)F)cc1 ZINC001223026796 880788647 /nfs/dbraw/zinc/78/86/47/880788647.db2.gz ITHAOQMYHLBRFV-VIFPVBQESA-N 0 1 303.200 1.928 20 5 DDBDMN COc1cc(=O)[nH]c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001228919748 883729835 /nfs/dbraw/zinc/72/98/35/883729835.db2.gz AIIXBFHKSTZLAK-NSHDSACASA-N 0 1 303.274 1.645 20 5 DDBDMN CO[C@@H]1CC[N@@H+](CCOc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230251452 884390407 /nfs/dbraw/zinc/39/04/07/884390407.db2.gz VDYGPZJGXWSNDD-CYBMUJFWSA-N 0 1 323.349 1.653 20 5 DDBDMN CO[C@@H]1CCN(CCOc2cc([N+](=O)[O-])ccc2NC(C)=O)C1 ZINC001230251452 884390427 /nfs/dbraw/zinc/39/04/27/884390427.db2.gz VDYGPZJGXWSNDD-CYBMUJFWSA-N 0 1 323.349 1.653 20 5 DDBDMN CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2[N+](=O)[O-])C1 ZINC001233579208 887122234 /nfs/dbraw/zinc/12/22/34/887122234.db2.gz ZYUMAINRKIEPRP-SNVBAGLBSA-N 0 1 311.294 1.603 20 5 DDBDMN CN(CCCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001235715592 888906348 /nfs/dbraw/zinc/90/63/48/888906348.db2.gz IDVCTZUTKQWCHJ-UHFFFAOYSA-N 0 1 318.333 1.835 20 5 DDBDMN CCN1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CC(C)C)C[C@@H]1C ZINC001263415598 900605233 /nfs/dbraw/zinc/60/52/33/900605233.db2.gz HFMFGEIQCCKOEG-STQMWFEESA-N 0 1 324.429 1.802 20 5 DDBDMN O=C(Cc1n[nH]c(C2CC2)n1)NCc1cccc([N+](=O)[O-])c1 ZINC001293540475 914532460 /nfs/dbraw/zinc/53/24/60/914532460.db2.gz JQLFGZOJHQWDIB-UHFFFAOYSA-N 0 1 301.306 1.449 20 5 DDBDMN CCCN(CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284715737 909388539 /nfs/dbraw/zinc/38/85/39/909388539.db2.gz RHDBORWDUVDZOH-MBJXGIAVSA-N 0 1 323.393 1.053 20 5 DDBDMN O=C(NC1(CNC(=O)C2CCCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001285910804 911412760 /nfs/dbraw/zinc/41/27/60/911412760.db2.gz WIMIVVLNHIJFNY-CHWSQXEVSA-N 0 1 323.393 1.387 20 5 DDBDMN CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163496115 197634295 /nfs/dbraw/zinc/63/42/95/197634295.db2.gz BXRHUZJIFKILEP-NSHDSACASA-N 0 1 300.380 1.989 20 5 DDBDMN CCc1nn(C)c(N2CC[C@H](c3n[nH]c(C)n3)C2)c1[N+](=O)[O-] ZINC000413555103 529767585 /nfs/dbraw/zinc/76/75/85/529767585.db2.gz QREWWXNCHBLMAP-VIFPVBQESA-N 0 1 305.342 1.311 20 5 DDBDMN CCc1nn(C)c(N2CC[C@H](c3nnc(C)[nH]3)C2)c1[N+](=O)[O-] ZINC000413555103 529767586 /nfs/dbraw/zinc/76/75/86/529767586.db2.gz QREWWXNCHBLMAP-VIFPVBQESA-N 0 1 305.342 1.311 20 5 DDBDMN Cc1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000106818124 185453530 /nfs/dbraw/zinc/45/35/30/185453530.db2.gz NWRMNEDIQQFKIQ-ZDUSSCGKSA-N 0 1 320.393 1.269 20 5 DDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000451774889 529984326 /nfs/dbraw/zinc/98/43/26/529984326.db2.gz CBFYXXULPDIKRG-CYBMUJFWSA-N 0 1 323.393 1.923 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458046881 232197014 /nfs/dbraw/zinc/19/70/14/232197014.db2.gz XAKLQTVCRWZEKL-UHFFFAOYSA-N 0 1 318.337 1.644 20 5 DDBDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272700796 210105065 /nfs/dbraw/zinc/10/50/65/210105065.db2.gz UHCUWBHJBDAZLR-OLZOCXBDSA-N 0 1 319.361 1.999 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN(CCCO)Cc2ccccn2)c1 ZINC000287121229 219328689 /nfs/dbraw/zinc/32/86/89/219328689.db2.gz XGCLOARETBFHME-UHFFFAOYSA-N 0 1 305.338 1.071 20 5 DDBDMN CN(C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000043286506 352365047 /nfs/dbraw/zinc/36/50/47/352365047.db2.gz HLKWKDLIPXALJN-LLVKDONJSA-N 0 1 323.378 1.272 20 5 DDBDMN COCCN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051624967 352591193 /nfs/dbraw/zinc/59/11/93/352591193.db2.gz KJTTWRTWTYHIRA-UHFFFAOYSA-N 0 1 309.366 1.238 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000331899705 234252278 /nfs/dbraw/zinc/25/22/78/234252278.db2.gz JMTAQQNGURYTTF-FVQBIDKESA-N 0 1 322.361 1.662 20 5 DDBDMN O=C(NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000068022876 353081821 /nfs/dbraw/zinc/08/18/21/353081821.db2.gz PRKBEQIRALIGHO-ZIAGYGMSSA-N 0 1 323.393 1.339 20 5 DDBDMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000089423949 353771156 /nfs/dbraw/zinc/77/11/56/353771156.db2.gz QPHLVEXKHYWJAA-PELKAZGASA-N 0 1 304.306 1.314 20 5 DDBDMN C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000096693986 353916114 /nfs/dbraw/zinc/91/61/14/353916114.db2.gz MTCGYWQQGPMEME-NSHDSACASA-N 0 1 313.379 1.357 20 5 DDBDMN CC(C)(C)[N@H+]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000565037971 304038783 /nfs/dbraw/zinc/03/87/83/304038783.db2.gz GISIWDLRCGNHRJ-UHFFFAOYSA-N 0 1 322.365 1.999 20 5 DDBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCCC1(F)F ZINC000588144443 354904817 /nfs/dbraw/zinc/90/48/17/354904817.db2.gz JTBSEZCONKHWNC-QMMMGPOBSA-N 0 1 307.278 1.456 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000587416297 354882639 /nfs/dbraw/zinc/88/26/39/354882639.db2.gz WGAGLMSZNJXNPS-FSPLSTOPSA-N 0 1 322.243 1.418 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)c1[N+](=O)[O-] ZINC000587416299 354882651 /nfs/dbraw/zinc/88/26/51/354882651.db2.gz WGAGLMSZNJXNPS-VDTYLAMSSA-N 0 1 322.243 1.418 20 5 DDBDMN CCOC[C@H](C(=O)OC)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000590167781 355056104 /nfs/dbraw/zinc/05/61/04/355056104.db2.gz AZRIAFWFZJGHNB-CYBMUJFWSA-N 0 1 312.322 1.310 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(Cl)o2)c1 ZINC000591725343 355372211 /nfs/dbraw/zinc/37/22/11/355372211.db2.gz QZXBJARWKZRVRB-SECBINFHSA-N 0 1 300.702 1.188 20 5 DDBDMN COC(=O)[C@@H]1C[C@@H](O)CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000592209140 355539457 /nfs/dbraw/zinc/53/94/57/355539457.db2.gz VKGULDRGKUIRCK-OUCADQQQSA-N 0 1 322.361 1.820 20 5 DDBDMN Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978178 355760769 /nfs/dbraw/zinc/76/07/69/355760769.db2.gz UWGHZSQHTYEXSL-ZWNOBZJWSA-N 0 1 323.349 1.732 20 5 DDBDMN Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978178 355760774 /nfs/dbraw/zinc/76/07/74/355760774.db2.gz UWGHZSQHTYEXSL-ZWNOBZJWSA-N 0 1 323.349 1.732 20 5 DDBDMN O=C([O-])c1cnc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000592978193 355761178 /nfs/dbraw/zinc/76/11/78/355761178.db2.gz VWJYOOFJCXEJDS-VIFPVBQESA-N 0 1 303.278 1.311 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000593508763 355908293 /nfs/dbraw/zinc/90/82/93/355908293.db2.gz RJIYBRAESRFTNV-UHFFFAOYSA-N 0 1 302.338 1.344 20 5 DDBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(N2CC[C@@H](O)C2)C1 ZINC000593679320 355964708 /nfs/dbraw/zinc/96/47/08/355964708.db2.gz KQCICCCUHHGJTF-SDSFWRRZSA-N 0 1 317.389 1.749 20 5 DDBDMN COc1cc(CN[C@H](CO)CCF)c([N+](=O)[O-])cc1OC ZINC000593688280 355967720 /nfs/dbraw/zinc/96/77/20/355967720.db2.gz FJKSTLCBENAQCV-JTQLQIEISA-N 0 1 302.302 1.422 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]2CCCC[C@H]12 ZINC000594733629 356300875 /nfs/dbraw/zinc/30/08/75/356300875.db2.gz ACQGEYVJFDYRJB-UPJWGTAASA-N 0 1 322.365 1.757 20 5 DDBDMN CCC[N@H+](CC)CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760355 356309599 /nfs/dbraw/zinc/30/95/99/356309599.db2.gz MFKZGYNNQGLVDU-UHFFFAOYSA-N 0 1 316.383 1.000 20 5 DDBDMN CCC[N@@H+](CC)CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760355 356309600 /nfs/dbraw/zinc/30/96/00/356309600.db2.gz MFKZGYNNQGLVDU-UHFFFAOYSA-N 0 1 316.383 1.000 20 5 DDBDMN CC[C@](C)(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC ZINC000594779101 356314319 /nfs/dbraw/zinc/31/43/19/356314319.db2.gz LDEOLTZZXWVAPI-LLVKDONJSA-N 0 1 303.340 1.083 20 5 DDBDMN CCC[C@]1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCOC1 ZINC000594777950 356314558 /nfs/dbraw/zinc/31/45/58/356314558.db2.gz KSNNFNSRZRUHPN-LBPRGKRZSA-N 0 1 315.351 1.227 20 5 DDBDMN COCC[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042032 356375998 /nfs/dbraw/zinc/37/59/98/356375998.db2.gz SKKCGTXMLCFPNS-GFCCVEGCSA-N 0 1 311.382 1.832 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCc1ccco1 ZINC000595377659 356471010 /nfs/dbraw/zinc/47/10/10/356471010.db2.gz QHJVNWSJGKODII-UHFFFAOYSA-N 0 1 311.319 1.494 20 5 DDBDMN CCOC[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081519637 192278016 /nfs/dbraw/zinc/27/80/16/192278016.db2.gz KPDAHCKUEZWXIY-ZDUSSCGKSA-N 0 1 321.377 1.916 20 5 DDBDMN O=[N+]([O-])c1cnc(N2CCC[C@@H](N3CCOCC3)CC2)c(F)c1 ZINC000565224596 304055021 /nfs/dbraw/zinc/05/50/21/304055021.db2.gz JJUYVJBNLGIRLB-GFCCVEGCSA-N 0 1 324.356 1.820 20 5 DDBDMN C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1n[n-]c(=O)o1 ZINC000595546368 356543335 /nfs/dbraw/zinc/54/33/35/356543335.db2.gz GFRAFQDJFFEHQK-UHFFFAOYSA-N 0 1 321.293 1.144 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](Cn2ccnn2)C1 ZINC000595608365 356575344 /nfs/dbraw/zinc/57/53/44/356575344.db2.gz OJXSQDBYFBBZJM-GFCCVEGCSA-N 0 1 317.349 1.717 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000595761072 356642009 /nfs/dbraw/zinc/64/20/09/356642009.db2.gz WNUKVDSDRIPXAG-CJNGLKHVSA-N 0 1 320.345 1.850 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000595833836 356670429 /nfs/dbraw/zinc/67/04/29/356670429.db2.gz RZRUGRHRWBHWCM-UPJWGTAASA-N 0 1 319.361 1.890 20 5 DDBDMN Cc1c(CNC(=O)NCCCc2nc[nH]n2)cccc1[N+](=O)[O-] ZINC000596579934 356922460 /nfs/dbraw/zinc/92/24/60/356922460.db2.gz RZPZWPYQKXDCNL-UHFFFAOYSA-N 0 1 318.337 1.453 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597860560 357362607 /nfs/dbraw/zinc/36/26/07/357362607.db2.gz OPOBVHOYMYGKAE-SNVBAGLBSA-N 0 1 307.350 1.903 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000598226884 357499629 /nfs/dbraw/zinc/49/96/29/357499629.db2.gz FLVLQPMRYYLJFH-XPTSAGLGSA-N 0 1 308.338 1.379 20 5 DDBDMN C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1CCO ZINC000598071706 357454853 /nfs/dbraw/zinc/45/48/53/357454853.db2.gz VHXBWOBHUDFUIP-HZMBPMFUSA-N 0 1 308.334 1.924 20 5 DDBDMN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000598434065 357578450 /nfs/dbraw/zinc/57/84/50/357578450.db2.gz UWHXCXOLLKPFTI-DTORHVGOSA-N 0 1 324.337 1.465 20 5 DDBDMN C[C@@H](CCC1CC1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599280533 357872773 /nfs/dbraw/zinc/87/27/73/357872773.db2.gz DCADLQDAPIPXQU-QMMMGPOBSA-N 0 1 302.356 1.185 20 5 DDBDMN Cc1cc(S(=O)(=O)NCc2cnc[nH]2)c(C)cc1[N+](=O)[O-] ZINC000599354619 357906687 /nfs/dbraw/zinc/90/66/87/357906687.db2.gz QSZJSKDTIHDTQY-UHFFFAOYSA-N 0 1 310.335 1.413 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000347978179 283314452 /nfs/dbraw/zinc/31/44/52/283314452.db2.gz HRLOOCUYULYVQI-AWEZNQCLSA-N 0 1 304.350 1.464 20 5 DDBDMN CC(C)(NC(=O)NC[C@@H]1COCCN1)c1ccccc1[N+](=O)[O-] ZINC000599939741 358086183 /nfs/dbraw/zinc/08/61/83/358086183.db2.gz MABJIEMIUUGCFQ-LLVKDONJSA-N 0 1 322.365 1.118 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000276690478 213049171 /nfs/dbraw/zinc/04/91/71/213049171.db2.gz MUNNLDVNGKSLBF-RKDXNWHRSA-N 0 1 318.326 1.173 20 5 DDBDMN COC(=O)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000600407573 358212729 /nfs/dbraw/zinc/21/27/29/358212729.db2.gz RBVJWCQFISXKHM-JTQLQIEISA-N 0 1 324.337 1.417 20 5 DDBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600709406 358289889 /nfs/dbraw/zinc/28/98/89/358289889.db2.gz PJOCGPBBYHBOLP-OAHLLOKOSA-N 0 1 321.333 1.863 20 5 DDBDMN Cc1c([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000180691442 199197515 /nfs/dbraw/zinc/19/75/15/199197515.db2.gz ZRGSMSXDTAKNKY-JTQLQIEISA-N 0 1 317.349 1.926 20 5 DDBDMN COc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C2CC2)cn1 ZINC000600815209 358322561 /nfs/dbraw/zinc/32/25/61/358322561.db2.gz ZCLQMRICJYTLES-GFCCVEGCSA-N 0 1 317.305 1.603 20 5 DDBDMN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000601109663 358405145 /nfs/dbraw/zinc/40/51/45/358405145.db2.gz WGIISJIPOZEVHZ-ZETCQYMHSA-N 0 1 319.287 1.996 20 5 DDBDMN O=[N+]([O-])c1cc(F)cnc1N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000601103271 358402832 /nfs/dbraw/zinc/40/28/32/358402832.db2.gz SJPJHGGVRWQZOW-ZDUSSCGKSA-N 0 1 324.356 1.820 20 5 DDBDMN C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000602151479 358848549 /nfs/dbraw/zinc/84/85/49/358848549.db2.gz IKEYUHWCMMIJTM-SNVBAGLBSA-N 0 1 304.350 1.685 20 5 DDBDMN Cn1cc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])n1 ZINC000602438183 358977145 /nfs/dbraw/zinc/97/71/45/358977145.db2.gz BPYSNDMSKQZYGG-GFCCVEGCSA-N 0 1 321.381 1.067 20 5 DDBDMN Cn1cc(C[C@@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)cn1 ZINC000602482230 359007917 /nfs/dbraw/zinc/00/79/17/359007917.db2.gz HPCQIYRYVSWEFT-NSHDSACASA-N 0 1 304.354 1.126 20 5 DDBDMN O=[N+]([O-])c1ccc(CCNCc2nnnn2CC2CC2)cc1 ZINC000602620079 359079345 /nfs/dbraw/zinc/07/93/45/359079345.db2.gz UGDGCDJTAWOQRF-UHFFFAOYSA-N 0 1 302.338 1.324 20 5 DDBDMN CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000602823134 359217008 /nfs/dbraw/zinc/21/70/08/359217008.db2.gz YUGJCAGSRPPTMG-ZFWWWQNUSA-N 0 1 324.381 1.370 20 5 DDBDMN CCOc1cc(CN2C[C@H](O)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901550 359282801 /nfs/dbraw/zinc/28/28/01/359282801.db2.gz ZZASTAKXRNCCNN-DOMZBBRYSA-N 0 1 310.350 1.311 20 5 DDBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186931650 200033835 /nfs/dbraw/zinc/03/38/35/200033835.db2.gz HUDQTVUXGWQZQH-LBPRGKRZSA-N 0 1 321.377 1.512 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C(=O)OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188270738 200219492 /nfs/dbraw/zinc/21/94/92/200219492.db2.gz RUCLQTFJDAWUEL-IUCAKERBSA-N 0 1 324.337 1.152 20 5 DDBDMN C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000188478335 200253547 /nfs/dbraw/zinc/25/35/47/200253547.db2.gz SNYMMXNRPAXUIC-GFCCVEGCSA-N 0 1 306.366 1.607 20 5 DDBDMN COc1cc(C(=O)N[C@H](C)c2nnc[nH]2)cc([N+](=O)[O-])c1C ZINC000188524634 200261727 /nfs/dbraw/zinc/26/17/27/200261727.db2.gz MNUXNQJFUHLLSO-MRVPVSSYSA-N 0 1 305.294 1.521 20 5 DDBDMN Cc1cc(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000609957927 360368061 /nfs/dbraw/zinc/36/80/61/360368061.db2.gz NUIAXNUHEILKRM-UHFFFAOYSA-N 0 1 317.305 1.190 20 5 DDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000610580130 360475631 /nfs/dbraw/zinc/47/56/31/360475631.db2.gz KXYPHSQACKIHRB-UHFFFAOYSA-N 0 1 304.310 1.071 20 5 DDBDMN C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N(C)C ZINC000610541560 360464291 /nfs/dbraw/zinc/46/42/91/360464291.db2.gz HBOGYKALJWKCKD-LBPRGKRZSA-N 0 1 306.366 1.194 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000359027165 299310849 /nfs/dbraw/zinc/31/08/49/299310849.db2.gz NAHPDXIYIUGYBF-GHMZBOCLSA-N 0 1 307.354 1.358 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCc3cn[nH]c3C2)c1 ZINC000611008551 360599545 /nfs/dbraw/zinc/59/95/45/360599545.db2.gz ASLZSHOLDFJMHH-ZDUSSCGKSA-N 0 1 318.333 1.116 20 5 DDBDMN Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565836325 304096599 /nfs/dbraw/zinc/09/65/99/304096599.db2.gz OJUYJRJKTVEURQ-LLVKDONJSA-N 0 1 323.349 1.104 20 5 DDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]nn1 ZINC000611211100 360661655 /nfs/dbraw/zinc/66/16/55/360661655.db2.gz ZOVSXDFWVFDIMP-UHFFFAOYSA-N 0 1 307.335 1.755 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000611587037 360769282 /nfs/dbraw/zinc/76/92/82/360769282.db2.gz SZOKYIZOECDNKU-SSDOTTSWSA-N 0 1 304.253 1.470 20 5 DDBDMN COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359095700 299327471 /nfs/dbraw/zinc/32/74/71/299327471.db2.gz ALWIIJPENUUOOE-NOZJJQNGSA-N 0 1 322.317 1.714 20 5 DDBDMN COc1cc(OCC(=O)NCc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000359125067 299333154 /nfs/dbraw/zinc/33/31/54/299333154.db2.gz KSOBMFQTXJIGGC-UHFFFAOYSA-N 0 1 306.278 1.022 20 5 DDBDMN CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1OC ZINC000275072322 212104298 /nfs/dbraw/zinc/10/42/98/212104298.db2.gz ZMQPBMIAUUBKOQ-JHJVBQTASA-N 0 1 310.306 1.223 20 5 DDBDMN CCC(CC)[C@@H](O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264936701 204285262 /nfs/dbraw/zinc/28/52/62/204285262.db2.gz PGGCTUCYXDNQSC-ZDUSSCGKSA-N 0 1 320.349 1.998 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000160032949 197381298 /nfs/dbraw/zinc/38/12/98/197381298.db2.gz WBSWNQTZGNTXNI-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000284554032 218076630 /nfs/dbraw/zinc/07/66/30/218076630.db2.gz XVATYVYBLIQXEM-ZCFIWIBFSA-N 0 1 322.300 1.488 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000267366349 285077216 /nfs/dbraw/zinc/07/72/16/285077216.db2.gz JBNYSVNWBPLNTA-LBPRGKRZSA-N 0 1 309.341 1.892 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952735 197314061 /nfs/dbraw/zinc/31/40/61/197314061.db2.gz NHKTZTMUXOCLBN-NSHDSACASA-N 0 1 321.312 1.490 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCN(CCO)Cc2cccnc2)cc1 ZINC000156766101 197139716 /nfs/dbraw/zinc/13/97/16/197139716.db2.gz BGUVURNETUTDFP-UHFFFAOYSA-N 0 1 317.345 1.863 20 5 DDBDMN C[C@@H](CCCc1cccnc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000457924112 533567695 /nfs/dbraw/zinc/56/76/95/533567695.db2.gz IBIJMWXXDMWBHX-JTQLQIEISA-N 0 1 303.322 1.854 20 5 DDBDMN Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000353490659 285765646 /nfs/dbraw/zinc/76/56/46/285765646.db2.gz HYHVFASJZKBJSS-WDEREUQCSA-N 0 1 313.379 1.274 20 5 DDBDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000408101181 286120519 /nfs/dbraw/zinc/12/05/19/286120519.db2.gz IBHDPLJNVZDVHH-BDPUXZDNSA-N 0 1 306.322 1.122 20 5 DDBDMN O=C1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000076760054 406974143 /nfs/dbraw/zinc/97/41/43/406974143.db2.gz CVMLPHIAJFPTTH-VIFPVBQESA-N 0 1 315.276 1.564 20 5 DDBDMN COC(=O)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000045263838 407040963 /nfs/dbraw/zinc/04/09/63/407040963.db2.gz ZTQYOQMYGAOSIS-UHFFFAOYSA-N 0 1 306.278 1.154 20 5 DDBDMN COC(=O)[C@H](C)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068083277 407294628 /nfs/dbraw/zinc/29/46/28/407294628.db2.gz NANWCFGFYXPVBI-MRVPVSSYSA-N 0 1 320.305 1.352 20 5 DDBDMN Cc1cnc([C@H](C)NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124395752 407357141 /nfs/dbraw/zinc/35/71/41/407357141.db2.gz GRRUOMOMMHTQQB-ONGXEEELSA-N 0 1 311.367 1.268 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C)cc1C ZINC000125083538 407378471 /nfs/dbraw/zinc/37/84/71/407378471.db2.gz SUWGLHCPHUECPE-UHFFFAOYSA-N 0 1 301.368 1.052 20 5 DDBDMN CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000266397156 407536679 /nfs/dbraw/zinc/53/66/79/407536679.db2.gz OXUDAIOITGXYOQ-QWHCGFSZSA-N 0 1 323.393 1.885 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271267861 407606475 /nfs/dbraw/zinc/60/64/75/407606475.db2.gz LDGQOFNVJHBIHO-OLZOCXBDSA-N 0 1 305.334 1.657 20 5 DDBDMN O=[N+]([O-])c1ccc(CNC2(CO)CCOCC2)c(Cl)c1 ZINC000227981459 407640959 /nfs/dbraw/zinc/64/09/59/407640959.db2.gz XDSUZORVPFLLFO-UHFFFAOYSA-N 0 1 300.742 1.879 20 5 DDBDMN C[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000267000400 407712108 /nfs/dbraw/zinc/71/21/08/407712108.db2.gz CTIGMPOTJVZJGK-NEPJUHHUSA-N 0 1 311.357 1.621 20 5 DDBDMN CCc1n[nH]c(C(=O)N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000171809655 407772969 /nfs/dbraw/zinc/77/29/69/407772969.db2.gz WJCSWCZKBBKLAZ-UHFFFAOYSA-N 0 1 309.370 1.294 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000171809655 407772975 /nfs/dbraw/zinc/77/29/75/407772975.db2.gz WJCSWCZKBBKLAZ-UHFFFAOYSA-N 0 1 309.370 1.294 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)Cc2cnc(C)s2)c1[N+](=O)[O-] ZINC000171803972 407770114 /nfs/dbraw/zinc/77/01/14/407770114.db2.gz UNTXOKYMLASYFS-UHFFFAOYSA-N 0 1 309.351 1.917 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000272129023 407784625 /nfs/dbraw/zinc/78/46/25/407784625.db2.gz RUHBJWSUQULYSL-VHSXEESVSA-N 0 1 310.354 1.495 20 5 DDBDMN CCOc1cc(N2CCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000117106954 407809145 /nfs/dbraw/zinc/80/91/45/407809145.db2.gz BLJGUIMSRCSIRH-UHFFFAOYSA-N 0 1 323.393 1.886 20 5 DDBDMN COCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000272426420 407915081 /nfs/dbraw/zinc/91/50/81/407915081.db2.gz GEBSLDIMWHGIBI-VIFPVBQESA-N 0 1 308.294 1.727 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC[C@H]21 ZINC000245682644 408042760 /nfs/dbraw/zinc/04/27/60/408042760.db2.gz JBOXTCATKMNCIJ-SMDDNHRTSA-N 0 1 319.361 1.857 20 5 DDBDMN C[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181859068 408048006 /nfs/dbraw/zinc/04/80/06/408048006.db2.gz VJYJQXLRXJWSBF-MELADBBJSA-N 0 1 324.377 1.570 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncon1 ZINC000155487173 408169858 /nfs/dbraw/zinc/16/98/58/408169858.db2.gz AEVVVSVPTBTIKW-LURJTMIESA-N 0 1 302.250 1.345 20 5 DDBDMN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000175937569 408243916 /nfs/dbraw/zinc/24/39/16/408243916.db2.gz BSRUAYUPEXVHFM-VIFPVBQESA-N 0 1 305.294 1.359 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000269378524 408288741 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20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000826021050 601946303 /nfs/dbraw/zinc/94/63/03/601946303.db2.gz LLQAFFIBCFESSJ-MEBBXXQBSA-N 0 1 321.333 1.718 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740253972 602525218 /nfs/dbraw/zinc/52/52/18/602525218.db2.gz RXVLBHBQKLZOBF-LLVKDONJSA-N 0 1 311.342 1.297 20 5 DDBDMN Cc1nn(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000740253972 602525220 /nfs/dbraw/zinc/52/52/20/602525220.db2.gz RXVLBHBQKLZOBF-LLVKDONJSA-N 0 1 311.342 1.297 20 5 DDBDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000827889208 603801177 /nfs/dbraw/zinc/80/11/77/603801177.db2.gz FOZYFIJPSVNFGS-LLVKDONJSA-N 0 1 309.322 1.658 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)[O-])c1cccnc1 ZINC000832481815 604995153 /nfs/dbraw/zinc/99/51/53/604995153.db2.gz SZYZGQKRXUIOCK-CQSZACIVSA-N 0 1 317.301 1.914 20 5 DDBDMN C[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000820669007 606711909 /nfs/dbraw/zinc/71/19/09/606711909.db2.gz YKKPZWLSYHOSIN-IUCAKERBSA-N 0 1 318.341 1.065 20 5 DDBDMN C[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000820669007 606711911 /nfs/dbraw/zinc/71/19/11/606711911.db2.gz YKKPZWLSYHOSIN-IUCAKERBSA-N 0 1 318.341 1.065 20 5 DDBDMN C[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000820669007 606711913 /nfs/dbraw/zinc/71/19/13/606711913.db2.gz YKKPZWLSYHOSIN-IUCAKERBSA-N 0 1 318.341 1.065 20 5 DDBDMN C[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[N@H+]1C ZINC000820669007 606711915 /nfs/dbraw/zinc/71/19/15/606711915.db2.gz YKKPZWLSYHOSIN-IUCAKERBSA-N 0 1 318.341 1.065 20 5 DDBDMN CN1CCCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000050693344 696234068 /nfs/dbraw/zinc/23/40/68/696234068.db2.gz NLPLIKGYQVTFAC-UHFFFAOYSA-N 0 1 312.757 1.608 20 5 DDBDMN O=C(NCc1cccc(Cn2ccnc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000108186991 696633198 /nfs/dbraw/zinc/63/31/98/696633198.db2.gz RAUCVOGYKTWDCN-ZIAGYGMSSA-N 0 1 300.318 1.213 20 5 DDBDMN O=C(NC[C@@H]1C[C@@H](NC(=O)C2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000979740084 696636785 /nfs/dbraw/zinc/63/67/85/696636785.db2.gz SRYPWRRDFCLAKH-FMKGYKFTSA-N 0 1 323.393 1.243 20 5 DDBDMN C[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)N1[C@H](C)CC[C@H]1C ZINC000748128317 700101339 /nfs/dbraw/zinc/10/13/39/700101339.db2.gz DDXBBURXMYFOCY-UTUOFQBUSA-N 0 1 310.354 1.596 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000799059893 700112284 /nfs/dbraw/zinc/11/22/84/700112284.db2.gz CCGABJPPSAFBHA-JTQLQIEISA-N 0 1 301.306 1.651 20 5 DDBDMN COc1cc(CNC[C@](C)(O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000174529559 697389751 /nfs/dbraw/zinc/38/97/51/697389751.db2.gz KDCRGVDVWHWIBT-HNNXBMFYSA-N 0 1 322.317 1.899 20 5 DDBDMN COCC1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594168 698124787 /nfs/dbraw/zinc/12/47/87/698124787.db2.gz XSYWWGPJOSJZPE-AWEZNQCLSA-N 0 1 310.350 1.102 20 5 DDBDMN CC1(C)CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1CCO ZINC000781961532 698666241 /nfs/dbraw/zinc/66/62/41/698666241.db2.gz URGTYJRRJVTGBP-UHFFFAOYSA-N 0 1 311.357 1.622 20 5 DDBDMN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1cnc[nH]1 ZINC000781991855 698669793 /nfs/dbraw/zinc/66/97/93/698669793.db2.gz IAZPBVIGKLVQHS-UHFFFAOYSA-N 0 1 319.277 1.475 20 5 DDBDMN CC(C)[C@@H]1C[N@@H+](C)CCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000737611809 699742613 /nfs/dbraw/zinc/74/26/13/699742613.db2.gz AJZLIPMYGAAKNM-NSHDSACASA-N 0 1 308.338 1.464 20 5 DDBDMN O=[N+]([O-])c1c(N2CCN(CCCCO)CC2)nc2ccccn21 ZINC000741750728 699850520 /nfs/dbraw/zinc/85/05/20/699850520.db2.gz ZLNAUOAZNPOCGB-UHFFFAOYSA-N 0 1 319.365 1.137 20 5 DDBDMN CC(C)[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nncn1C ZINC000796185098 699918230 /nfs/dbraw/zinc/91/82/30/699918230.db2.gz GCXOJIQGVOAQGQ-ZIAGYGMSSA-N 0 1 319.365 1.744 20 5 DDBDMN COc1ccc(NC(=O)CN2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000761068763 700838270 /nfs/dbraw/zinc/83/82/70/700838270.db2.gz JKEYCIQWFNGFHZ-NSHDSACASA-N 0 1 322.365 1.178 20 5 DDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000768843151 701208802 /nfs/dbraw/zinc/20/88/02/701208802.db2.gz RIAPOFMRZYXWAD-IUCAKERBSA-N 0 1 319.408 1.417 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CCO)c2ccco2)cc1 ZINC000769223234 701237225 /nfs/dbraw/zinc/23/72/25/701237225.db2.gz SOJPSENLYUKFRH-KGLIPLIRSA-N 0 1 306.318 1.935 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnnn2C)c1 ZINC000808565202 701524347 /nfs/dbraw/zinc/52/43/47/701524347.db2.gz UCQDKJYMFARFBD-UHFFFAOYSA-N 0 1 311.323 1.141 20 5 DDBDMN O=C(CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000839575485 701741816 /nfs/dbraw/zinc/74/18/16/701741816.db2.gz UOMSIXDIGUFWJP-ZIAGYGMSSA-N 0 1 323.393 1.339 20 5 DDBDMN C[C@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)CCO1 ZINC000839686467 701783484 /nfs/dbraw/zinc/78/34/84/701783484.db2.gz PORMENZKVRIOLW-ZLKJLUDKSA-N 0 1 305.334 1.515 20 5 DDBDMN COC(=O)CCCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714229 701793348 /nfs/dbraw/zinc/79/33/48/701793348.db2.gz YEPLHGRTJJLCCR-ZIAGYGMSSA-N 0 1 320.345 1.634 20 5 DDBDMN Cc1noc(C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2)n1 ZINC000839744240 701807057 /nfs/dbraw/zinc/80/70/57/701807057.db2.gz YJOQBJBDUJSFNR-JHJVBQTASA-N 0 1 316.317 1.443 20 5 DDBDMN Cn1c2ccccc2nc1C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839798491 701830947 /nfs/dbraw/zinc/83/09/47/701830947.db2.gz FYAMJSHXHCYGDC-BXKDBHETSA-N 0 1 302.334 1.590 20 5 DDBDMN C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587824 701900130 /nfs/dbraw/zinc/90/01/30/701900130.db2.gz UVRIXOSOVYFFLA-SECBINFHSA-N 0 1 315.333 1.522 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000840216727 702032084 /nfs/dbraw/zinc/03/20/84/702032084.db2.gz XDOIWGNUKYGEEW-YFKPBYRVSA-N 0 1 309.257 1.661 20 5 DDBDMN Cc1nc([C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000840219711 702033622 /nfs/dbraw/zinc/03/36/22/702033622.db2.gz ATLZOXWNLHUSJL-SSDOTTSWSA-N 0 1 308.298 1.257 20 5 DDBDMN Cc1ccccc1CN(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672857 702197158 /nfs/dbraw/zinc/19/71/58/702197158.db2.gz VVFXBNMDEIVBHT-CHWSQXEVSA-N 0 1 306.318 1.162 20 5 DDBDMN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840673185 702198096 /nfs/dbraw/zinc/19/80/96/702198096.db2.gz JFMYXLKAKZZEKX-PSASIEDQSA-N 0 1 300.654 1.957 20 5 DDBDMN C[C@H](CC[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842789574 702773972 /nfs/dbraw/zinc/77/39/72/702773972.db2.gz AGKKJICTJZHYRG-SSDOTTSWSA-N 0 1 307.759 1.264 20 5 DDBDMN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842800345 702776155 /nfs/dbraw/zinc/77/61/55/702776155.db2.gz UERPDKQIFCJNHY-ZKCHVHJHSA-N 0 1 305.743 1.016 20 5 DDBDMN [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000843341045 702862887 /nfs/dbraw/zinc/86/28/87/702862887.db2.gz YOFMARSDWQKQJC-UHFFFAOYSA-N 0 1 300.318 1.975 20 5 DDBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843937143 702942977 /nfs/dbraw/zinc/94/29/77/702942977.db2.gz XOEFWIBKETXXIH-WHOHXGKFSA-N 0 1 312.366 1.478 20 5 DDBDMN CCN1C[C@H](CN(C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000846893002 703347783 /nfs/dbraw/zinc/34/77/83/703347783.db2.gz DWEOHQXITBRUEZ-AWEZNQCLSA-N 0 1 307.350 1.910 20 5 DDBDMN CCN1C[C@H](CN(C)CCc2ccccc2[N+](=O)[O-])OC1=O ZINC000846901845 703349274 /nfs/dbraw/zinc/34/92/74/703349274.db2.gz QGCQXFQUDUPCOX-ZDUSSCGKSA-N 0 1 307.350 1.910 20 5 DDBDMN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847218365 703388504 /nfs/dbraw/zinc/38/85/04/703388504.db2.gz ZZORYYCFUFESMJ-RKDXNWHRSA-N 0 1 314.244 1.632 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(C(=O)NCCc2nc[nH]n2)cc1Cl ZINC000848152440 703516992 /nfs/dbraw/zinc/51/69/92/703516992.db2.gz JHOTYIZISQQDKR-UHFFFAOYSA-N 0 1 309.713 1.647 20 5 DDBDMN CCc1nc([C@@H](C)OC(=O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000849626849 703661071 /nfs/dbraw/zinc/66/10/71/703661071.db2.gz BPEPIYYVCRNJDC-SECBINFHSA-N 0 1 320.305 1.959 20 5 DDBDMN CO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000851708188 703834154 /nfs/dbraw/zinc/83/41/54/703834154.db2.gz SVCRIELVEZNTQB-MCIONIFRSA-N 0 1 324.333 1.192 20 5 DDBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccnc(CN)c1)CC2 ZINC000818609113 703939898 /nfs/dbraw/zinc/93/98/98/703939898.db2.gz QGOPQYCMFSCHNO-UHFFFAOYSA-N 0 1 312.329 1.960 20 5 DDBDMN Cc1nn(CN2CC[C@@H]3COC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587166 704276843 /nfs/dbraw/zinc/27/68/43/704276843.db2.gz FZHUKHOJHPWXHH-VXGBXAGGSA-N 0 1 317.349 1.574 20 5 DDBDMN CCn1ncc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000858444786 704711980 /nfs/dbraw/zinc/71/19/80/704711980.db2.gz RDYKDIZRJVWWFE-STQMWFEESA-N 0 1 319.369 1.676 20 5 DDBDMN C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000874832534 705190230 /nfs/dbraw/zinc/19/02/30/705190230.db2.gz FRVHXGASGRUOIA-OLZOCXBDSA-N 0 1 305.334 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CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269273246 408245353 /nfs/dbraw/zinc/24/53/53/408245353.db2.gz HHXBOTUAVMFXAD-NSHDSACASA-N 0 1 307.350 1.714 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156523109 408264168 /nfs/dbraw/zinc/26/41/68/408264168.db2.gz CXHYPRISOWDQAD-ZDUSSCGKSA-N 0 1 321.377 1.904 20 5 DDBDMN CN(C)[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264030246 408349054 /nfs/dbraw/zinc/34/90/54/408349054.db2.gz RYTZDPNNIDMOCS-SNVBAGLBSA-N 0 1 313.379 1.139 20 5 DDBDMN NC(=O)c1ccc(CN2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246838140 408350479 /nfs/dbraw/zinc/35/04/79/408350479.db2.gz SUENZZMPOSULBG-DZGCQCFKSA-N 0 1 319.361 1.695 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cccn2C)c1[N+](=O)[O-] ZINC000158545978 408345789 /nfs/dbraw/zinc/34/57/89/408345789.db2.gz QDJDICIVDCDRKG-UHFFFAOYSA-N 0 1 305.338 1.881 20 5 DDBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173118753 162322407 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CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000270960227 408760198 /nfs/dbraw/zinc/76/01/98/408760198.db2.gz XNDGUKIVPDXASH-UHFFFAOYSA-N 0 1 321.377 1.916 20 5 DDBDMN CN1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285704953 408847079 /nfs/dbraw/zinc/84/70/79/408847079.db2.gz IYVGSUYMFUFCBY-UONOGXRCSA-N 0 1 305.334 1.140 20 5 DDBDMN CCNC(=O)C[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000285717710 408849265 /nfs/dbraw/zinc/84/92/65/408849265.db2.gz MYDITDUXHNCQGO-SNVBAGLBSA-N 0 1 323.353 1.147 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)NC2(c3nnc[nH]3)CCC2)c1[N+](=O)[O-] ZINC000280883411 408852250 /nfs/dbraw/zinc/85/22/50/408852250.db2.gz ULBFOLWKGLKYGJ-UHFFFAOYSA-N 0 1 319.325 1.369 20 5 DDBDMN Cc1cc(N2CCO[C@H]3CCN(C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000292701780 409040203 /nfs/dbraw/zinc/04/02/03/409040203.db2.gz SBOMCNDSZACXGE-GJZGRUSLSA-N 0 1 309.341 1.952 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000278023588 409052498 /nfs/dbraw/zinc/05/24/98/409052498.db2.gz UBMDVIZEXYMBOV-SCZZXKLOSA-N 0 1 324.337 1.294 20 5 DDBDMN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000294059358 409233405 /nfs/dbraw/zinc/23/34/05/409233405.db2.gz UVRWKSQDRHSDCJ-TXEJJXNPSA-N 0 1 307.350 1.525 20 5 DDBDMN CNC(=O)[C@@H](CCSC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000342302340 409567829 /nfs/dbraw/zinc/56/78/29/409567829.db2.gz CMFFAWHBUZHXEA-GFCCVEGCSA-N 0 1 311.407 1.861 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2nnc[nH]2)CCC1 ZINC000357012699 409794055 /nfs/dbraw/zinc/79/40/55/409794055.db2.gz QJRJVXIJJYXUAJ-UHFFFAOYSA-N 0 1 319.296 1.590 20 5 DDBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052080 409819077 /nfs/dbraw/zinc/81/90/77/409819077.db2.gz QXMANWCXANSZMM-QWRGUYRKSA-N 0 1 307.354 1.027 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncnn1C ZINC000357137411 409899163 /nfs/dbraw/zinc/89/91/63/409899163.db2.gz MMLUIBZQTZQSHL-SSDOTTSWSA-N 0 1 315.293 1.091 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000346691743 410086897 /nfs/dbraw/zinc/08/68/97/410086897.db2.gz WAZSXXSPSZRMFJ-JOYOIKCWSA-N 0 1 321.333 1.077 20 5 DDBDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000357907368 410322394 /nfs/dbraw/zinc/32/23/94/410322394.db2.gz FEJWCSRNMBXCBN-KGLIPLIRSA-N 0 1 323.397 1.513 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298691279 410351401 /nfs/dbraw/zinc/35/14/01/410351401.db2.gz CVJAFCSXMLHQPU-JTQLQIEISA-N 0 1 307.354 1.233 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC=C(C)CC2)c1 ZINC000355323510 410441243 /nfs/dbraw/zinc/44/12/43/410441243.db2.gz SVIVOFDDLLXNJR-UHFFFAOYSA-N 0 1 319.361 1.985 20 5 DDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[S@]1=O ZINC000352305050 410612585 /nfs/dbraw/zinc/61/25/85/410612585.db2.gz IRPIVFPMAKLCPH-CWMRNNLJSA-N 0 1 322.346 1.064 20 5 DDBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(C)(C)O)CC1 ZINC000301446437 410722922 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CC(C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000359800681 410889719 /nfs/dbraw/zinc/88/97/19/410889719.db2.gz PQORSGZMUJYGRK-UHFFFAOYSA-N 0 1 310.701 1.426 20 5 DDBDMN CC(C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000359800681 410889723 /nfs/dbraw/zinc/88/97/23/410889723.db2.gz PQORSGZMUJYGRK-UHFFFAOYSA-N 0 1 310.701 1.426 20 5 DDBDMN CC[C@H]1C(=O)N(CC)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331190665 411006434 /nfs/dbraw/zinc/00/64/34/411006434.db2.gz VDQJMOIDZKCMAG-ZDUSSCGKSA-N 0 1 321.333 1.383 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000353710528 411114770 /nfs/dbraw/zinc/11/47/70/411114770.db2.gz AGKDHXVOIJGDMS-UHFFFAOYSA-N 0 1 314.305 1.326 20 5 DDBDMN Cc1ccc(-c2nc(CCNC(=O)[C@H]3CC3[N+](=O)[O-])co2)cc1 ZINC000360279900 411120348 /nfs/dbraw/zinc/12/03/48/411120348.db2.gz PIZPFVSDWRYKKM-UONOGXRCSA-N 0 1 315.329 1.974 20 5 DDBDMN Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000128922273 196004717 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O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](O)c3ccccc3C2)n1 ZINC000374923944 418580204 /nfs/dbraw/zinc/58/02/04/418580204.db2.gz FZOMWTIMBLQMSM-CQSZACIVSA-N 0 1 302.334 1.731 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@H](O)c3ccccc3C2)n1 ZINC000374923944 418580208 /nfs/dbraw/zinc/58/02/08/418580208.db2.gz FZOMWTIMBLQMSM-CQSZACIVSA-N 0 1 302.334 1.731 20 5 DDBDMN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352980602 418645577 /nfs/dbraw/zinc/64/55/77/418645577.db2.gz DDZLUCSCDFMNOV-LBPRGKRZSA-N 0 1 318.289 2.127 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](n2cncn2)C1 ZINC000375333421 418630947 /nfs/dbraw/zinc/63/09/47/418630947.db2.gz POOAGZFPSBIEFW-GFCCVEGCSA-N 0 1 303.322 1.512 20 5 DDBDMN C[C@H](CO)N1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000375508593 418651699 /nfs/dbraw/zinc/65/16/99/418651699.db2.gz UDIQCSNIVLIHIX-SNVBAGLBSA-N 0 1 314.773 1.536 20 5 DDBDMN CC(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC12CCCCC2 ZINC000371377580 418786397 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C[C@@H]1[C@@H](CO)CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000427829926 419747266 /nfs/dbraw/zinc/74/72/66/419747266.db2.gz SZFBEJKCIKYOJP-RKDXNWHRSA-N 0 1 304.306 1.314 20 5 DDBDMN C[C@@H](CCCC[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000427958707 419775355 /nfs/dbraw/zinc/77/53/55/419775355.db2.gz JVDBWGNTOKGFFO-QMMMGPOBSA-N 0 1 307.397 1.452 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000428641777 419908600 /nfs/dbraw/zinc/90/86/00/419908600.db2.gz KCWAKWWVNWAPQA-DTWKUNHWSA-N 0 1 323.353 1.167 20 5 DDBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000436674767 420352525 /nfs/dbraw/zinc/35/25/25/420352525.db2.gz JCALQMOTXUSRAS-UHFFFAOYSA-N 0 1 317.257 1.856 20 5 DDBDMN CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]CC1 ZINC000420444284 420292367 /nfs/dbraw/zinc/29/23/67/420292367.db2.gz CCHLWVUPBHZAJC-UHFFFAOYSA-N 0 1 305.381 1.077 20 5 DDBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[NH2+]C1 ZINC000440838586 420613264 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CCc1[nH]nc(C(=O)N2CC[C@H](O)C23CCCC3)c1[N+](=O)[O-] ZINC000294258539 409267794 /nfs/dbraw/zinc/26/77/94/409267794.db2.gz RZHWZXSLJRCMDE-JTQLQIEISA-N 0 1 308.338 1.400 20 5 DDBDMN C[C@@]1(O)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000295171247 409353710 /nfs/dbraw/zinc/35/37/10/409353710.db2.gz RQNUFOVRYATBAE-OAHLLOKOSA-N 0 1 316.317 1.582 20 5 DDBDMN CCc1nc(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295294685 409417888 /nfs/dbraw/zinc/41/78/88/409417888.db2.gz IXLDSGRTSYUJHP-UHFFFAOYSA-N 0 1 321.362 1.684 20 5 DDBDMN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000408035521 164203950 /nfs/dbraw/zinc/20/39/50/164203950.db2.gz LFQCQXCOPMORRL-QPUJVOFHSA-N 0 1 312.351 1.102 20 5 DDBDMN C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295477679 409500223 /nfs/dbraw/zinc/50/02/23/409500223.db2.gz YXANKEPDCRYUFO-STQMWFEESA-N 0 1 321.377 1.740 20 5 DDBDMN Cc1ccn2c(c1)nnc2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356805094 409619757 /nfs/dbraw/zinc/61/97/57/409619757.db2.gz QDLOMNCDDGZMQZ-UHFFFAOYSA-N 0 1 313.273 1.904 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000331517937 409596322 /nfs/dbraw/zinc/59/63/22/409596322.db2.gz PRZILSNUAHKLHR-AEJSXWLSSA-N 0 1 308.338 1.113 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000354504143 409905986 /nfs/dbraw/zinc/90/59/86/409905986.db2.gz QYCXVMMJFAFGKL-UHFFFAOYSA-N 0 1 323.740 1.576 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000319379178 409894114 /nfs/dbraw/zinc/89/41/14/409894114.db2.gz WQIQXYFUSAKODC-OAHLLOKOSA-N 0 1 308.334 1.560 20 5 DDBDMN CCC(=O)N[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000354670548 410005257 /nfs/dbraw/zinc/00/52/57/410005257.db2.gz CESUBINIRMRZJW-ZDUSSCGKSA-N 0 1 321.377 1.964 20 5 DDBDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000343000831 410065951 /nfs/dbraw/zinc/06/59/51/410065951.db2.gz MXBRLVOEADHFHZ-ZETCQYMHSA-N 0 1 307.314 1.359 20 5 DDBDMN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343127102 410168132 /nfs/dbraw/zinc/16/81/32/410168132.db2.gz FDKVWPWLZFWAGG-UHFFFAOYSA-N 0 1 317.183 1.690 20 5 DDBDMN COC(=O)COc1ccc(CN2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000355043804 410262117 /nfs/dbraw/zinc/26/21/17/410262117.db2.gz SNXIWNUJOQSTQZ-CMPLNLGQSA-N 0 1 324.333 1.102 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339614069 410329675 /nfs/dbraw/zinc/32/96/75/410329675.db2.gz JIIXDRMVULFSSF-RWMBFGLXSA-N 0 1 320.393 1.946 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352013313 410413435 /nfs/dbraw/zinc/41/34/35/410413435.db2.gz IPRQUWYDWRMPJD-MNOVXSKESA-N 0 1 309.370 1.041 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC(OCC(F)F)C2)c1[N+](=O)[O-] ZINC000358372455 410457341 /nfs/dbraw/zinc/45/73/41/410457341.db2.gz SYUQZODCHZVDKB-UHFFFAOYSA-N 0 1 318.280 1.377 20 5 DDBDMN CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000301692307 410774041 /nfs/dbraw/zinc/77/40/41/410774041.db2.gz ZDGNQSLMJRHHPY-LSDHHAIUSA-N 0 1 314.345 1.662 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000337427430 410777451 /nfs/dbraw/zinc/77/74/51/410777451.db2.gz SWWNABANKIRICT-CHWSQXEVSA-N 0 1 323.393 1.490 20 5 DDBDMN O=C(NCc1cnc[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000359694985 410822771 /nfs/dbraw/zinc/82/27/71/410822771.db2.gz VEGKUWUQIMGQEV-UHFFFAOYSA-N 0 1 312.289 1.434 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344032847 410909340 /nfs/dbraw/zinc/90/93/40/410909340.db2.gz DXYADTZBPRABOV-BAESOJJISA-N 0 1 319.361 1.625 20 5 DDBDMN C[C@H]1OCC[C@@]12C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085792 418428669 /nfs/dbraw/zinc/42/86/69/418428669.db2.gz HCLAASYLJSHRBE-YRGRVCCFSA-N 0 1 310.354 1.060 20 5 DDBDMN C[C@H]1OCC[C@@]12CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085792 418428671 /nfs/dbraw/zinc/42/86/71/418428671.db2.gz HCLAASYLJSHRBE-YRGRVCCFSA-N 0 1 310.354 1.060 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000192666801 418525393 /nfs/dbraw/zinc/52/53/93/418525393.db2.gz ASCCOTNTUORFTG-ZDUSSCGKSA-N 0 1 323.397 1.278 20 5 DDBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000367231817 418574431 /nfs/dbraw/zinc/57/44/31/418574431.db2.gz PKKLJKAZASLSDZ-OOXFBGMTSA-N 0 1 304.350 1.322 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2NC)n[nH]1 ZINC000360952353 418553764 /nfs/dbraw/zinc/55/37/64/418553764.db2.gz ZFPTXQCHBLPZQO-MRVPVSSYSA-N 0 1 318.337 1.808 20 5 DDBDMN COC(=O)C[C@]1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000361740498 418703990 /nfs/dbraw/zinc/70/39/90/418703990.db2.gz JENZIGDFTLQXRH-OAHLLOKOSA-N 0 1 308.334 1.715 20 5 DDBDMN CNc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000392566870 418758830 /nfs/dbraw/zinc/75/88/30/418758830.db2.gz KDOGJOFZXONSHU-ZETCQYMHSA-N 0 1 304.310 1.554 20 5 DDBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364874736 418819097 /nfs/dbraw/zinc/81/90/97/418819097.db2.gz CVIPMONEPOQFQD-MGPQQGTHSA-N 0 1 319.361 1.599 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364933276 418825447 /nfs/dbraw/zinc/82/54/47/418825447.db2.gz MCAKHAHZJYAURR-CYBMUJFWSA-N 0 1 321.377 1.432 20 5 DDBDMN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)[C@H]1CC1[N+](=O)[O-] ZINC000365417085 418859056 /nfs/dbraw/zinc/85/90/56/418859056.db2.gz MWVXQSNTVDUPGR-XQLPTFJDSA-N 0 1 312.329 1.510 20 5 DDBDMN Cc1ccc(-c2cnc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])o2)cc1 ZINC000365616349 418883314 /nfs/dbraw/zinc/88/33/14/418883314.db2.gz CZLYTINLTCZEDO-VXGBXAGGSA-N 0 1 301.302 1.931 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(CO)(Cc2ccccc2)CC1 ZINC000365623558 418883413 /nfs/dbraw/zinc/88/34/13/418883413.db2.gz LFONSJGTJOHBSX-LSDHHAIUSA-N 0 1 318.373 1.495 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3CCO)n2)cc1 ZINC000426225412 419409547 /nfs/dbraw/zinc/40/95/47/419409547.db2.gz FBRYOVKMNVMLIP-LBPRGKRZSA-N 0 1 318.333 1.992 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411938079 419507187 /nfs/dbraw/zinc/50/71/87/419507187.db2.gz JOCWHSLPFUPVNQ-GJZGRUSLSA-N 0 1 302.334 1.599 20 5 DDBDMN Cc1nc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000428387961 419860969 /nfs/dbraw/zinc/86/09/69/419860969.db2.gz ZLLOVBGUNQCHRC-SNVBAGLBSA-N 0 1 303.326 1.103 20 5 DDBDMN Cn1nccc1[C@H](CO)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000459749135 420863449 /nfs/dbraw/zinc/86/34/49/420863449.db2.gz JMFWYKCMFSBXEL-ZDUSSCGKSA-N 0 1 306.322 1.030 20 5 DDBDMN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459784913 420872462 /nfs/dbraw/zinc/87/24/62/420872462.db2.gz JTSPSTVCJFMJIY-NWDGAFQWSA-N 0 1 320.349 1.419 20 5 DDBDMN COC(=O)COC[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000449130745 420956224 /nfs/dbraw/zinc/95/62/24/420956224.db2.gz HPHMNOXEFRECHY-JTQLQIEISA-N 0 1 312.322 1.271 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000456340122 421143562 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20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC(C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000554574775 421651676 /nfs/dbraw/zinc/65/16/76/421651676.db2.gz VHXRZCMXNLYYDJ-UHFFFAOYSA-N 0 1 322.365 1.905 20 5 DDBDMN COCC[C@]1(NCc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000519623078 421708434 /nfs/dbraw/zinc/70/84/34/421708434.db2.gz ADIWWMUKBSOEQF-HNNXBMFYSA-N 0 1 310.350 1.889 20 5 DDBDMN O=C(NCc1cccc(=O)[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540036912 421759293 /nfs/dbraw/zinc/75/92/93/421759293.db2.gz HETXQXUDTKUAQT-UHFFFAOYSA-N 0 1 313.273 1.502 20 5 DDBDMN O=C(NCCCc1nc[nH]n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000557064714 421757206 /nfs/dbraw/zinc/75/72/06/421757206.db2.gz VIPQKTAZSSUBDV-UHFFFAOYSA-N 0 1 314.305 1.557 20 5 DDBDMN CNC(=O)[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000183659084 263381886 /nfs/dbraw/zinc/38/18/86/263381886.db2.gz VPXYZTNNBAWENR-AWEZNQCLSA-N 0 1 322.365 1.202 20 5 DDBDMN COC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H]1C(C)C ZINC000345146552 272182373 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C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000156193786 288238544 /nfs/dbraw/zinc/23/85/44/288238544.db2.gz IMBPRTGYELLMQG-BDAKNGLRSA-N 0 1 317.342 1.105 20 5 DDBDMN NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356757417 298866606 /nfs/dbraw/zinc/86/66/06/298866606.db2.gz ABIXQLYGIAZPEN-CHWSQXEVSA-N 0 1 321.333 1.464 20 5 DDBDMN CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000362107729 300007512 /nfs/dbraw/zinc/00/75/12/300007512.db2.gz XAUQQGVWKIVYDM-OAHLLOKOSA-N 0 1 310.350 1.777 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363652362 300293008 /nfs/dbraw/zinc/29/30/08/300293008.db2.gz RRSFOZFKWZZINU-QLFBSQMISA-N 0 1 312.329 1.480 20 5 DDBDMN O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377058245 302138981 /nfs/dbraw/zinc/13/89/81/302138981.db2.gz VKAYDHXURRATFT-WDEREUQCSA-N 0 1 306.322 1.052 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377058245 302138985 /nfs/dbraw/zinc/13/89/85/302138985.db2.gz VKAYDHXURRATFT-WDEREUQCSA-N 0 1 306.322 1.052 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@H](O)C1(C)C ZINC000516192086 302786586 /nfs/dbraw/zinc/78/65/86/302786586.db2.gz RMZLJOUIVNHWQJ-OLZOCXBDSA-N 0 1 323.349 1.291 20 5 DDBDMN CCc1nnc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000539795011 303398212 /nfs/dbraw/zinc/39/82/12/303398212.db2.gz PDXKIYWCWBUBCN-UHFFFAOYSA-N 0 1 305.294 1.465 20 5 DDBDMN CCc1n[nH]c(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000539795011 303398215 /nfs/dbraw/zinc/39/82/15/303398215.db2.gz PDXKIYWCWBUBCN-UHFFFAOYSA-N 0 1 305.294 1.465 20 5 DDBDMN O=C(NCc1nnc[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361759971 307005663 /nfs/dbraw/zinc/00/56/63/307005663.db2.gz MSVLVKORLLGVRW-UHFFFAOYSA-N 0 1 315.211 1.662 20 5 DDBDMN C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000362090445 307013994 /nfs/dbraw/zinc/01/39/94/307013994.db2.gz NHQPITCKCCIFJK-AAEUAGOBSA-N 0 1 319.361 1.044 20 5 DDBDMN CC(=O)c1cc(N2CCCN([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000367450000 307093936 /nfs/dbraw/zinc/09/39/36/307093936.db2.gz GEAGKCHGIABNAW-LBPRGKRZSA-N 0 1 321.377 1.690 20 5 DDBDMN Cc1nc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2F)no1 ZINC000371670827 307156042 /nfs/dbraw/zinc/15/60/42/307156042.db2.gz FPIZJYUXLLRQLM-YUSALJHKSA-N 0 1 320.280 1.388 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCOCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000373381042 307186378 /nfs/dbraw/zinc/18/63/78/307186378.db2.gz AGNMSIPCTLXTRN-UHFFFAOYSA-N 0 1 308.338 1.523 20 5 DDBDMN O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000377139371 307264081 /nfs/dbraw/zinc/26/40/81/307264081.db2.gz IPKMAXUSVOKVTG-UHFFFAOYSA-N 0 1 316.317 1.763 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@](CO)(C(C)C)C2)c1[N+](=O)[O-] ZINC000378049433 307281499 /nfs/dbraw/zinc/28/14/99/307281499.db2.gz POXDTDOMQGUGKQ-HNNXBMFYSA-N 0 1 324.381 1.751 20 5 DDBDMN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000404007304 307297567 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DDBDMN CC(C)(NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000492069892 527263609 /nfs/dbraw/zinc/26/36/09/527263609.db2.gz NEKMMWWVSSHDHM-YVMONPNESA-N 0 1 302.294 1.173 20 5 DDBDMN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000292360272 527900954 /nfs/dbraw/zinc/90/09/54/527900954.db2.gz XYVYYICFYUNISA-LLVKDONJSA-N 0 1 307.350 1.187 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC000425067467 527997750 /nfs/dbraw/zinc/99/77/50/527997750.db2.gz RDSUFZZWNSDHPO-MRVPVSSYSA-N 0 1 319.325 1.189 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000414024068 528544332 /nfs/dbraw/zinc/54/43/32/528544332.db2.gz CWLMECFPDSUFPX-ZJUUUORDSA-N 0 1 310.354 1.503 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000490293376 528721956 /nfs/dbraw/zinc/72/19/56/528721956.db2.gz NPDLXRYBCATRJW-HNNXBMFYSA-N 0 1 320.393 1.805 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299706 600369545 /nfs/dbraw/zinc/36/95/45/600369545.db2.gz OIIJSJDRWWGKOC-MWLCHTKSSA-N 0 1 323.349 1.883 20 5 DDBDMN COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829362843 603811240 /nfs/dbraw/zinc/81/12/40/603811240.db2.gz PGSUZQHUNIWEQK-LLVKDONJSA-N 0 1 309.322 1.788 20 5 DDBDMN COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829362843 603811243 /nfs/dbraw/zinc/81/12/43/603811243.db2.gz PGSUZQHUNIWEQK-LLVKDONJSA-N 0 1 309.322 1.788 20 5 DDBDMN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000832235103 605939107 /nfs/dbraw/zinc/93/91/07/605939107.db2.gz WTTLJNOLVIOGSM-YOGCLGLASA-N 0 1 323.353 1.444 20 5 DDBDMN CNC(=O)[C@@]1(C)CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000797415227 700008254 /nfs/dbraw/zinc/00/82/54/700008254.db2.gz SSYYQQVFUSXVGU-HNNXBMFYSA-N 0 1 317.349 1.360 20 5 DDBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(C(N)=O)c1 ZINC000746663627 700035552 /nfs/dbraw/zinc/03/55/52/700035552.db2.gz TVDPYSNPGOEGON-UHFFFAOYSA-N 0 1 303.322 1.022 20 5 DDBDMN O=C(OCCn1cc([N+](=O)[O-])cn1)c1c(F)cc(O)cc1F ZINC000748125602 700101078 /nfs/dbraw/zinc/10/10/78/700101078.db2.gz GFXZWHSRRFYHSJ-UHFFFAOYSA-N 0 1 313.216 1.632 20 5 DDBDMN CCN(CCC(=O)OC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000151983835 696893302 /nfs/dbraw/zinc/89/33/02/696893302.db2.gz OCHWVYLDKPGKCE-UHFFFAOYSA-N 0 1 306.322 1.787 20 5 DDBDMN COC(=O)C=Cc1ccc(NCc2c[nH]nn2)c([N+](=O)[O-])c1 ZINC000748438894 700118377 /nfs/dbraw/zinc/11/83/77/700118377.db2.gz XGHTVHJOLGXTQP-HWKANZROSA-N 0 1 303.278 1.511 20 5 DDBDMN COC[C@@H](O)CNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162182001 697326676 /nfs/dbraw/zinc/32/66/76/697326676.db2.gz FCIRURJAWDONRH-JTQLQIEISA-N 0 1 319.155 1.454 20 5 DDBDMN CN(Cc1cscn1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434299 697510514 /nfs/dbraw/zinc/51/05/14/697510514.db2.gz SLSIKSYPVPRWRZ-CHWSQXEVSA-N 0 1 324.406 1.231 20 5 DDBDMN CCNS(=O)(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000772979438 697700281 /nfs/dbraw/zinc/70/02/81/697700281.db2.gz RHKCXUWXPJUFKZ-NSHDSACASA-N 0 1 315.395 1.493 20 5 DDBDMN O=C(OCCCNC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000774885702 697938511 /nfs/dbraw/zinc/93/85/11/697938511.db2.gz HBAPGBUVAFGMAL-UHFFFAOYSA-N 0 1 320.223 1.820 20 5 DDBDMN CN(CCN1CCCC1=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581998 698120952 /nfs/dbraw/zinc/12/09/52/698120952.db2.gz LHMCJNPEEMDIHA-CQSZACIVSA-N 0 1 307.350 1.182 20 5 DDBDMN CSc1nc(=O)n(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000789968936 699427360 /nfs/dbraw/zinc/42/73/60/699427360.db2.gz AEDRZPISXTWMKM-UHFFFAOYSA-N 0 1 311.279 1.158 20 5 DDBDMN COC(=O)c1cc(NC(=O)c2cccc[n+]2[O-])cc([N+](=O)[O-])c1 ZINC000735828127 699704563 /nfs/dbraw/zinc/70/45/63/699704563.db2.gz GKBQCRYALJSHEO-UHFFFAOYSA-N 0 1 317.257 1.267 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCO)CC2)c2nonc21 ZINC000742411815 699877826 /nfs/dbraw/zinc/87/78/26/699877826.db2.gz WVUGMALKISVDSG-UHFFFAOYSA-N 0 1 321.337 1.026 20 5 DDBDMN CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000801863771 700348024 /nfs/dbraw/zinc/34/80/24/700348024.db2.gz SRPXXRWTYKBOFP-UHFFFAOYSA-N 0 1 312.286 1.408 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801934920 700357188 /nfs/dbraw/zinc/35/71/88/700357188.db2.gz SSQPQBGYBXLIFK-ZJUUUORDSA-N 0 1 324.356 1.871 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC(OC(C)=O)CC2)c1[N+](=O)[O-] ZINC000753831748 700460545 /nfs/dbraw/zinc/46/05/45/700460545.db2.gz WVDMINLPZJGUFT-UHFFFAOYSA-N 0 1 310.310 1.048 20 5 DDBDMN Cc1c(CO)cc([N+](=O)[O-])c(NCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000771179121 701312404 /nfs/dbraw/zinc/31/24/04/701312404.db2.gz ZPBKHSIPFGRYAV-UHFFFAOYSA-N 0 1 322.281 1.076 20 5 DDBDMN O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839671351 701777040 /nfs/dbraw/zinc/77/70/40/701777040.db2.gz NINJBMKUWHUOLD-KFWWJZLASA-N 0 1 300.314 1.655 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000839685944 701783567 /nfs/dbraw/zinc/78/35/67/701783567.db2.gz ITHQCIWSKZOSRO-PHDIDXHHSA-N 0 1 320.189 1.995 20 5 DDBDMN O=C(NC[C@H](O)c1cc2ccccc2s1)[C@@H]1CC1[N+](=O)[O-] ZINC000839702392 701790174 /nfs/dbraw/zinc/79/01/74/701790174.db2.gz OSZGROUTXVCELD-MXWKQRLJSA-N 0 1 306.343 1.716 20 5 DDBDMN C[C@@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839723607 701798397 /nfs/dbraw/zinc/79/83/97/701798397.db2.gz CUTLDFPVBPHXHN-CYZMBNFOSA-N 0 1 309.391 1.619 20 5 DDBDMN Cc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839749642 701809053 /nfs/dbraw/zinc/80/90/53/701809053.db2.gz BYIMGLZWKRUYNU-TZMCWYRMSA-N 0 1 305.334 1.435 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000839761319 701814846 /nfs/dbraw/zinc/81/48/46/701814846.db2.gz GXJZEAWQSQILQJ-RBGFHDKUSA-N 0 1 316.357 1.683 20 5 DDBDMN CC(C)OCCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839789501 701826465 /nfs/dbraw/zinc/82/64/65/701826465.db2.gz BESFYKRBVJKXEZ-CHWSQXEVSA-N 0 1 300.355 1.084 20 5 DDBDMN CSc1cc2c(cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])OCCO2 ZINC000840307883 702065347 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PJRAWWHFEWGEID-UHFFFAOYSA-N 0 1 307.350 1.819 20 5 DDBDMN CCCc1[nH]nc(C(=O)Nc2nnc(CC)s2)c1[N+](=O)[O-] ZINC000069674099 353170600 /nfs/dbraw/zinc/17/06/00/353170600.db2.gz NXFJJAYFHPVSCD-UHFFFAOYSA-N 0 1 310.339 1.937 20 5 DDBDMN COc1c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000332012026 234386899 /nfs/dbraw/zinc/38/68/99/234386899.db2.gz SGHRPCRYVRAJPQ-BXUZGUMPSA-N 0 1 319.361 1.770 20 5 DDBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CC2)CC1 ZINC000079000385 353545610 /nfs/dbraw/zinc/54/56/10/353545610.db2.gz QQOVXRWGKWSIAL-UHFFFAOYSA-N 0 1 319.361 1.528 20 5 DDBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC(c2nc[nH]n2)CC1 ZINC000082979937 353702692 /nfs/dbraw/zinc/70/26/92/353702692.db2.gz NDWMRPCJRONPRJ-UHFFFAOYSA-N 0 1 307.335 1.794 20 5 DDBDMN CN(C)CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000090998111 353801677 /nfs/dbraw/zinc/80/16/77/353801677.db2.gz AIZGOMJMAGRVLH-UHFFFAOYSA-N 0 1 317.349 1.533 20 5 DDBDMN COC(=O)c1cc(NC(=O)c2cn[nH]c2C)cc([N+](=O)[O-])c1 ZINC000172345540 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356257655 /nfs/dbraw/zinc/25/76/55/356257655.db2.gz FGTAXRYNNMXZOK-SECBINFHSA-N 0 1 304.310 1.880 20 5 DDBDMN COc1cccc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000594548819 356247774 /nfs/dbraw/zinc/24/77/74/356247774.db2.gz HOMGAARDYQLDQT-TZMCWYRMSA-N 0 1 321.377 1.639 20 5 DDBDMN CO[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1(C)C ZINC000594763462 356310294 /nfs/dbraw/zinc/31/02/94/356310294.db2.gz RSNJIOSPOHMPIG-UWVGGRQHSA-N 0 1 315.351 1.082 20 5 DDBDMN CC[C@H](C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC ZINC000594776841 356314247 /nfs/dbraw/zinc/31/42/47/356314247.db2.gz KSXSYAAIHHTCKN-GXSJLCMTSA-N 0 1 317.367 1.329 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000595785037 356651585 /nfs/dbraw/zinc/65/15/85/356651585.db2.gz VVVUHBVZNJFYME-ZIAGYGMSSA-N 0 1 320.345 1.775 20 5 DDBDMN CN1CCCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618265119 363551173 /nfs/dbraw/zinc/55/11/73/363551173.db2.gz UWIUCVGCOZZTKY-ZDUSSCGKSA-N 0 1 317.349 1.572 20 5 DDBDMN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000596071054 356762184 /nfs/dbraw/zinc/76/21/84/356762184.db2.gz WXGPLUSIMUMSOR-RYUDHWBXSA-N 0 1 320.349 1.419 20 5 DDBDMN C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)CN1CCOCC1 ZINC000596136171 356786271 /nfs/dbraw/zinc/78/62/71/356786271.db2.gz VLLLPVQXIHKWBF-LLVKDONJSA-N 0 1 322.365 1.074 20 5 DDBDMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)n[nH]1 ZINC000596274623 356841719 /nfs/dbraw/zinc/84/17/19/356841719.db2.gz VQHLQRWQGPQMKC-SECBINFHSA-N 0 1 316.321 1.114 20 5 DDBDMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)[nH]1 ZINC000596274623 356841720 /nfs/dbraw/zinc/84/17/20/356841720.db2.gz VQHLQRWQGPQMKC-SECBINFHSA-N 0 1 316.321 1.114 20 5 DDBDMN NC(=O)c1cc(N2CCCc3[nH]ncc3C2)ccc1[N+](=O)[O-] ZINC000596577544 356922537 /nfs/dbraw/zinc/92/25/37/356922537.db2.gz OWJRECQBOOZPDU-UHFFFAOYSA-N 0 1 301.306 1.370 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@]2(CO)CC(C)C)c1[N+](=O)[O-] ZINC000276902074 213163269 /nfs/dbraw/zinc/16/32/69/213163269.db2.gz PQWSFINICGNMQP-CQSZACIVSA-N 0 1 310.354 1.640 20 5 DDBDMN C[C@@H]1COCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000597677978 357281396 /nfs/dbraw/zinc/28/13/96/357281396.db2.gz KIARSQNZOHAKBK-LLVKDONJSA-N 0 1 322.365 1.248 20 5 DDBDMN COCc1nc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000598049941 357443469 /nfs/dbraw/zinc/44/34/69/357443469.db2.gz KIVLNKMUYJVSDD-UHFFFAOYSA-N 0 1 319.321 1.406 20 5 DDBDMN COCc1nnc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]1 ZINC000598049941 357443473 /nfs/dbraw/zinc/44/34/73/357443473.db2.gz KIVLNKMUYJVSDD-UHFFFAOYSA-N 0 1 319.321 1.406 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@]3(C)COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000598068358 357453817 /nfs/dbraw/zinc/45/38/17/357453817.db2.gz WXTNHROWLZNNEE-OKILXGFUSA-N 0 1 308.338 1.379 20 5 DDBDMN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000598646918 357668772 /nfs/dbraw/zinc/66/87/72/357668772.db2.gz AVPAXNZJYHFJBK-ZWNOBZJWSA-N 0 1 307.350 1.144 20 5 DDBDMN C[C@@H](C(=O)N(C)Cc1n[nH]c(=O)o1)c1cccc([N+](=O)[O-])c1 ZINC000598743487 357712572 /nfs/dbraw/zinc/71/25/72/357712572.db2.gz BGMSHALVGWNJGF-MRVPVSSYSA-N 0 1 306.278 1.446 20 5 DDBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599278001 357872378 /nfs/dbraw/zinc/87/23/78/357872378.db2.gz UKJVDPQICVMWHL-OPRDCNLKSA-N 0 1 316.383 1.431 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CC[C@H](O)C1 ZINC000599779356 358057143 /nfs/dbraw/zinc/05/71/43/358057143.db2.gz HCSGWDYQEUDRRB-LBPRGKRZSA-N 0 1 308.338 1.091 20 5 DDBDMN CC(C)[C@H]1CNCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599919064 358080831 /nfs/dbraw/zinc/08/08/31/358080831.db2.gz BGQIPQFJFSPRKT-OAHLLOKOSA-N 0 1 320.393 1.777 20 5 DDBDMN CN(CC1(C)COC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600304207 358190496 /nfs/dbraw/zinc/19/04/96/358190496.db2.gz GHTJOASIDAIZPR-UHFFFAOYSA-N 0 1 304.306 1.580 20 5 DDBDMN O=C(NCCN1CC[C@@H](O)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000600534614 358250804 /nfs/dbraw/zinc/25/08/04/358250804.db2.gz OYFCNKOISNKTEH-GFCCVEGCSA-N 0 1 313.741 1.045 20 5 DDBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000601583515 358611399 /nfs/dbraw/zinc/61/13/99/358611399.db2.gz BULNLEZDMKSBNN-QWRGUYRKSA-N 0 1 323.324 1.015 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000602775666 359182600 /nfs/dbraw/zinc/18/26/00/359182600.db2.gz MAFJAVFFTSAAQN-KOLCDFICSA-N 0 1 322.287 1.487 20 5 DDBDMN Cn1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918552 359294220 /nfs/dbraw/zinc/29/42/20/359294220.db2.gz SVTWROUKFMCZSN-KGLIPLIRSA-N 0 1 302.334 1.948 20 5 DDBDMN C[C@@H]1COCCN1C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000603401261 359617830 /nfs/dbraw/zinc/61/78/30/359617830.db2.gz KPMNSPJOJHQTOA-LLVKDONJSA-N 0 1 324.356 1.818 20 5 DDBDMN Cc1cc(S(=O)(=O)N[C@H](C)C(F)F)c(F)cc1[N+](=O)[O-] ZINC000603421571 359630404 /nfs/dbraw/zinc/63/04/04/359630404.db2.gz BCNWJARBIJCCKG-ZCFIWIBFSA-N 0 1 312.269 1.974 20 5 DDBDMN O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000604286124 359731888 /nfs/dbraw/zinc/73/18/88/359731888.db2.gz MUHNWRITCZJLIB-CYBMUJFWSA-N 0 1 324.300 1.627 20 5 DDBDMN CCOC(=O)c1cc(C(=O)N2CCN[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000189018413 200336573 /nfs/dbraw/zinc/33/65/73/200336573.db2.gz LEFLYJDILKXKBF-SNVBAGLBSA-N 0 1 321.333 1.205 20 5 DDBDMN CCN1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000609288371 360288238 /nfs/dbraw/zinc/28/82/38/360288238.db2.gz ODOKBPRMNUJARU-LBPRGKRZSA-N 0 1 310.423 1.873 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCN(C(C)(C)CO)CC1 ZINC000610481048 360446793 /nfs/dbraw/zinc/44/67/93/360446793.db2.gz FFBKEKMPQWUNEN-UHFFFAOYSA-N 0 1 323.393 1.492 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610489245 360450177 /nfs/dbraw/zinc/45/01/77/360450177.db2.gz SJSUTGJFUDTYNE-GFCCVEGCSA-N 0 1 309.370 1.019 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)N1CCN(C)CC1 ZINC000610805644 360541476 /nfs/dbraw/zinc/54/14/76/360541476.db2.gz UPJUQNHYDGRIHS-ZDUSSCGKSA-N 0 1 320.393 1.328 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCc2cn[nH]c2C1 ZINC000611009055 360600580 /nfs/dbraw/zinc/60/05/80/360600580.db2.gz RLVLRSVIMCSMBE-JTQLQIEISA-N 0 1 315.333 1.703 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CCc3cn[nH]c3C1)OCCO2 ZINC000611273685 360687092 /nfs/dbraw/zinc/68/70/92/360687092.db2.gz POWPEXBVAAVTFU-UHFFFAOYSA-N 0 1 316.317 1.647 20 5 DDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nn[nH]n1 ZINC000611214125 360662866 /nfs/dbraw/zinc/66/28/66/360662866.db2.gz RIOJWPMCNKBNBY-UHFFFAOYSA-N 0 1 308.323 1.150 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000611558892 360759896 /nfs/dbraw/zinc/75/98/96/360759896.db2.gz YRYQDDHWZGBHJS-KGLIPLIRSA-N 0 1 322.317 1.320 20 5 DDBDMN CCn1ncnc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000359072948 299320357 /nfs/dbraw/zinc/32/03/57/299320357.db2.gz SQFDEHBZBVMEBY-VXGBXAGGSA-N 0 1 319.369 1.676 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC(C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000619729957 364134619 /nfs/dbraw/zinc/13/46/19/364134619.db2.gz CUEUQAVXEZOHRA-UHFFFAOYSA-N 0 1 322.365 1.940 20 5 DDBDMN COC(=O)c1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000619879363 364171757 /nfs/dbraw/zinc/17/17/57/364171757.db2.gz XBVANIKLKQVPBL-UHFFFAOYSA-N 0 1 304.262 1.035 20 5 DDBDMN C[C@H](c1ccccn1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091704438 193094635 /nfs/dbraw/zinc/09/46/35/193094635.db2.gz QTHUBOOFELLQSQ-GFCCVEGCSA-N 0 1 302.334 1.845 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CN(C)CCN1C ZINC000264654992 204056116 /nfs/dbraw/zinc/05/61/16/204056116.db2.gz PRIQNDJQIGQCBE-CYBMUJFWSA-N 0 1 321.381 1.271 20 5 DDBDMN COCCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000266338977 205278056 /nfs/dbraw/zinc/27/80/56/205278056.db2.gz IAJOSKAXUPPWQB-GFCCVEGCSA-N 0 1 309.366 1.760 20 5 DDBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160320460 197399905 /nfs/dbraw/zinc/39/99/05/197399905.db2.gz QFGUEEFKESGZOW-GFCCVEGCSA-N 0 1 307.350 1.905 20 5 DDBDMN C[C@H](CO)[C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000274013357 211271204 /nfs/dbraw/zinc/27/12/04/211271204.db2.gz LZYDNRJLSWHIHR-ZJUUUORDSA-N 0 1 306.322 1.751 20 5 DDBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000339077776 250283699 /nfs/dbraw/zinc/28/36/99/250283699.db2.gz XJLDPKNFBZKFGP-UHFFFAOYSA-N 0 1 310.350 1.664 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000109620616 194277726 /nfs/dbraw/zinc/27/77/26/194277726.db2.gz LUJJAJNDYOAHFH-SECBINFHSA-N 0 1 310.354 1.910 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000057922757 184062265 /nfs/dbraw/zinc/06/22/65/184062265.db2.gz COMUXGHGEJETSO-UHFFFAOYSA-N 0 1 303.321 1.431 20 5 DDBDMN Cc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000352903247 285376206 /nfs/dbraw/zinc/37/62/06/285376206.db2.gz SFNSZGXVBDUGHD-AWEZNQCLSA-N 0 1 308.338 1.091 20 5 DDBDMN CN(C)C(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271627485 209072640 /nfs/dbraw/zinc/07/26/40/209072640.db2.gz NIDAZADDKSXVGQ-UHFFFAOYSA-N 0 1 306.366 1.559 20 5 DDBDMN COc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000417181152 533601072 /nfs/dbraw/zinc/60/10/72/533601072.db2.gz HVEWRLMYSPITBJ-UHFFFAOYSA-N 0 1 322.365 1.497 20 5 DDBDMN Cc1nnc(SCCC(=O)NCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000073100343 406888498 /nfs/dbraw/zinc/88/84/98/406888498.db2.gz UTTVVHKEAAJQGN-UHFFFAOYSA-N 0 1 321.362 1.820 20 5 DDBDMN CCCN(CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000076951554 406975531 /nfs/dbraw/zinc/97/55/31/406975531.db2.gz MABRLSLBUMBHOJ-UHFFFAOYSA-N 0 1 307.350 1.188 20 5 DDBDMN COc1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000051230158 407137735 /nfs/dbraw/zinc/13/77/35/407137735.db2.gz HDPZLGCIECPAEY-UHFFFAOYSA-N 0 1 321.377 1.904 20 5 DDBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000091081658 407177064 /nfs/dbraw/zinc/17/70/64/407177064.db2.gz JJCWLFCATOGALW-CYBMUJFWSA-N 0 1 304.354 1.968 20 5 DDBDMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111635719 407412588 /nfs/dbraw/zinc/41/25/88/407412588.db2.gz WBHHRFLWSNWZMM-LBPRGKRZSA-N 0 1 307.350 1.905 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000270978322 407449226 /nfs/dbraw/zinc/44/92/26/407449226.db2.gz ILIGBWHJUZJLIU-VIFPVBQESA-N 0 1 309.351 1.412 20 5 DDBDMN CCN(CC(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000151607644 407461853 /nfs/dbraw/zinc/46/18/53/407461853.db2.gz KUGKOFDVTOAAAR-UHFFFAOYSA-N 0 1 307.350 1.704 20 5 DDBDMN COC[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000265807059 407463440 /nfs/dbraw/zinc/46/34/40/407463440.db2.gz PFCITIFFAKMQBN-LBPRGKRZSA-N 0 1 319.361 1.452 20 5 DDBDMN O=C(NC[C@H](O)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000267077444 407739351 /nfs/dbraw/zinc/73/93/51/407739351.db2.gz FRQRWOHUHULDJL-QMMMGPOBSA-N 0 1 318.211 1.124 20 5 DDBDMN CCOc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1[N+](=O)[O-] ZINC000153659251 407869718 /nfs/dbraw/zinc/86/97/18/407869718.db2.gz YXVLOXBYELDIFB-GHMZBOCLSA-N 0 1 307.350 1.816 20 5 DDBDMN C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)N1 ZINC000153798053 407905353 /nfs/dbraw/zinc/90/53/53/407905353.db2.gz LWARUEVJTSZSLC-VXGBXAGGSA-N 0 1 307.350 1.573 20 5 DDBDMN C[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000272506527 407953707 /nfs/dbraw/zinc/95/37/07/407953707.db2.gz JHLUUSGATXIKIQ-ZYHUDNBSSA-N 0 1 307.350 1.855 20 5 DDBDMN CSc1cccc(C(=O)N(C)Cc2nnc[nH]2)c1[N+](=O)[O-] ZINC000188169841 407923299 /nfs/dbraw/zinc/92/32/99/407923299.db2.gz DSRMAKPNSKDGNX-UHFFFAOYSA-N 0 1 307.335 1.707 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262809453 407942596 /nfs/dbraw/zinc/94/25/96/407942596.db2.gz XSXFPVSNOJEBLT-QWRGUYRKSA-N 0 1 313.379 1.274 20 5 DDBDMN CCOC(=O)c1ccnc(N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000175047675 408039311 /nfs/dbraw/zinc/03/93/11/408039311.db2.gz UFURRJWMHSDGLX-LLVKDONJSA-N 0 1 322.365 1.697 20 5 DDBDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119151490 408001461 /nfs/dbraw/zinc/00/14/61/408001461.db2.gz AHCWHVYJPZWZTH-OLZOCXBDSA-N 0 1 319.361 1.999 20 5 DDBDMN Cc1ccc(C(=O)Nc2nc(SCCO)n[nH]2)cc1[N+](=O)[O-] ZINC000268600713 408116308 /nfs/dbraw/zinc/11/63/08/408116308.db2.gz STMGTVUVEVZMHA-UHFFFAOYSA-N 0 1 323.334 1.358 20 5 DDBDMN COC(=O)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000269281287 408250259 /nfs/dbraw/zinc/25/02/59/408250259.db2.gz LNROSXVPRQUWRM-UHFFFAOYSA-N 0 1 310.306 1.714 20 5 DDBDMN O=C(c1cnc[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263710933 408218268 /nfs/dbraw/zinc/21/82/68/408218268.db2.gz UXRBPPFGQSELBT-UHFFFAOYSA-N 0 1 301.306 1.280 20 5 DDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)NC(=O)NC2=O ZINC000263954676 408325876 /nfs/dbraw/zinc/32/58/76/408325876.db2.gz FYHSNOXEJKTKFC-JTQLQIEISA-N 0 1 318.333 1.330 20 5 DDBDMN CSc1ccc(C(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000176190126 408303441 /nfs/dbraw/zinc/30/34/41/408303441.db2.gz ITQWKNXZECDNOO-SSDOTTSWSA-N 0 1 307.335 1.926 20 5 DDBDMN COc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000264108422 408369515 /nfs/dbraw/zinc/36/95/15/408369515.db2.gz MGGMLSXZDCVDEY-UHFFFAOYSA-N 0 1 315.333 1.720 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC[C@@H]21 ZINC000159453345 408407146 /nfs/dbraw/zinc/40/71/46/408407146.db2.gz AXOJTJPOLIISLM-FZMZJTMJSA-N 0 1 319.361 1.857 20 5 DDBDMN O=C(CCc1nc[nH]n1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000176875545 408465418 /nfs/dbraw/zinc/46/54/18/408465418.db2.gz CHJYYDJRIJGLMR-UHFFFAOYSA-N 0 1 317.349 1.785 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000264565780 408536510 /nfs/dbraw/zinc/53/65/10/408536510.db2.gz RJXAEXUGQGTIMW-GFCCVEGCSA-N 0 1 307.350 1.354 20 5 DDBDMN Cc1ccc([C@H]2COCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000265327098 408616097 /nfs/dbraw/zinc/61/60/97/408616097.db2.gz KQEPVVQGXSRZMM-SNVBAGLBSA-N 0 1 320.305 1.741 20 5 DDBDMN CC1(O)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000177731973 408694993 /nfs/dbraw/zinc/69/49/93/408694993.db2.gz OIILEPKLXFXKGL-UHFFFAOYSA-N 0 1 304.306 1.458 20 5 DDBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1 ZINC000165010694 408805712 /nfs/dbraw/zinc/80/57/12/408805712.db2.gz ZERSQGHYVZLELA-IUODEOHRSA-N 0 1 321.377 1.883 20 5 DDBDMN CCOCCOCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276286604 408829087 /nfs/dbraw/zinc/82/90/87/408829087.db2.gz SJYWHWKXDLEOQW-OAHLLOKOSA-N 0 1 312.366 1.613 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N)n[nH]1 ZINC000276421928 408854838 /nfs/dbraw/zinc/85/48/38/408854838.db2.gz XMDZNINMKKWSMF-SSDOTTSWSA-N 0 1 304.310 1.349 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)[C@H](CO)C1 ZINC000190908379 163165124 /nfs/dbraw/zinc/16/51/24/163165124.db2.gz DKEPZBCAXYRCFU-WOPDTQHZSA-N 0 1 307.350 1.482 20 5 DDBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000278039889 409054848 /nfs/dbraw/zinc/05/48/48/409054848.db2.gz ZHPIQYMZDXIKCU-YUMQZZPRSA-N 0 1 321.341 1.451 20 5 DDBDMN COCCO[C@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000278037455 409055544 /nfs/dbraw/zinc/05/55/44/409055544.db2.gz BZOGZTXUHWQUBM-HOCLYGCPSA-N 0 1 324.377 1.441 20 5 DDBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3CO2)c1[N+](=O)[O-] ZINC000288007287 409129699 /nfs/dbraw/zinc/12/96/99/409129699.db2.gz BSNUJYVHQUDTRG-UHFFFAOYSA-N 0 1 302.290 1.968 20 5 DDBDMN Cc1c(C[N@@H+]2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466458 409278182 /nfs/dbraw/zinc/27/81/82/409278182.db2.gz QPLPLBSECSBTNL-LBPRGKRZSA-N 0 1 317.349 1.694 20 5 DDBDMN Cc1c(C[N@H+]2CCC[C@H](c3nc(=O)[n-][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466458 409278184 /nfs/dbraw/zinc/27/81/84/409278184.db2.gz QPLPLBSECSBTNL-LBPRGKRZSA-N 0 1 317.349 1.694 20 5 DDBDMN CC(C)[C@@](C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289423869 409268292 /nfs/dbraw/zinc/26/82/92/409268292.db2.gz UYKGWZXTLTUEFT-CQSZACIVSA-N 0 1 308.338 1.023 20 5 DDBDMN Cc1cn[nH]c1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290470744 409413315 /nfs/dbraw/zinc/41/33/15/409413315.db2.gz QDWZHVRUXBOEHZ-UHFFFAOYSA-N 0 1 301.350 1.949 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCc1n[nH]c(C2CC2)n1 ZINC000296085035 409424620 /nfs/dbraw/zinc/42/46/20/409424620.db2.gz OQMYOSSTIDCYGA-UHFFFAOYSA-N 0 1 316.321 1.319 20 5 DDBDMN Cc1cc(N2CCN(CC(C)(C)O)CC2)c(F)cc1[N+](=O)[O-] ZINC000320659734 164041797 /nfs/dbraw/zinc/04/17/97/164041797.db2.gz XRLCTJBBSITQSP-UHFFFAOYSA-N 0 1 311.357 1.935 20 5 DDBDMN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000408035519 164204608 /nfs/dbraw/zinc/20/46/08/164204608.db2.gz LFQCQXCOPMORRL-PRHODGIISA-N 0 1 312.351 1.102 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(C2CC2)n1 ZINC000296280878 409487732 /nfs/dbraw/zinc/48/77/32/409487732.db2.gz XMDJLHJDWZLMKY-UHFFFAOYSA-N 0 1 301.306 1.449 20 5 DDBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000337883211 409534479 /nfs/dbraw/zinc/53/44/79/409534479.db2.gz ZRWXWUDQXLXLSG-NSHDSACASA-N 0 1 304.310 1.717 20 5 DDBDMN O=C(N[C@H]1CCc2[nH]cnc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356805854 409620972 /nfs/dbraw/zinc/62/09/72/409620972.db2.gz RZLSHQYEMCYNBG-VIFPVBQESA-N 0 1 302.290 1.311 20 5 DDBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356805854 409620977 /nfs/dbraw/zinc/62/09/77/409620977.db2.gz RZLSHQYEMCYNBG-VIFPVBQESA-N 0 1 302.290 1.311 20 5 DDBDMN Cc1nn(C)c(C(=O)N[C@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000331589741 409666805 /nfs/dbraw/zinc/66/68/05/409666805.db2.gz UBTXMCZHPMAAHC-VIFPVBQESA-N 0 1 304.310 1.167 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000331691111 409773622 /nfs/dbraw/zinc/77/36/22/409773622.db2.gz YEICJHFQVYKQMA-VXGBXAGGSA-N 0 1 316.317 1.574 20 5 DDBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354341458 409783564 /nfs/dbraw/zinc/78/35/64/409783564.db2.gz VNOYKVVCFJUTGV-UHFFFAOYSA-N 0 1 303.282 1.210 20 5 DDBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354341458 409783566 /nfs/dbraw/zinc/78/35/66/409783566.db2.gz VNOYKVVCFJUTGV-UHFFFAOYSA-N 0 1 303.282 1.210 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2noc(CCCCc3cn[nH]n3)n2)o1 ZINC000351140699 410039360 /nfs/dbraw/zinc/03/93/60/410039360.db2.gz BXWCVBMQKJDKMF-UHFFFAOYSA-N 0 1 304.266 1.921 20 5 DDBDMN Cn1c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1[N+](=O)[O-] ZINC000339503347 410238886 /nfs/dbraw/zinc/23/88/86/410238886.db2.gz HEBFMLNFYNEIOE-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000343511885 410502999 /nfs/dbraw/zinc/50/29/99/410502999.db2.gz JGHXPOMPNDTBTQ-GXFFZTMASA-N 0 1 307.350 1.816 20 5 DDBDMN CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343566655 410539241 /nfs/dbraw/zinc/53/92/41/410539241.db2.gz ISZTXDFFMSRMJJ-GFCCVEGCSA-N 0 1 307.350 1.905 20 5 DDBDMN Cc1n[nH]c(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC000359463423 410674188 /nfs/dbraw/zinc/67/41/88/410674188.db2.gz ZIGHUDPIWLTZOF-UHFFFAOYSA-N 0 1 318.268 1.572 20 5 DDBDMN CCc1ccc(C(=O)N2CCc3[nH]nnc3C2)cc1[N+](=O)[O-] ZINC000359561340 410734776 /nfs/dbraw/zinc/73/47/76/410734776.db2.gz CDYBAPRMZHGHGR-UHFFFAOYSA-N 0 1 301.306 1.474 20 5 DDBDMN Nc1nc(NCCc2nc3ccc(F)cc3[nH]2)ncc1[N+](=O)[O-] ZINC000301525632 410739471 /nfs/dbraw/zinc/73/94/71/410739471.db2.gz IVXAXZXEPNUMAX-UHFFFAOYSA-N 0 1 317.284 1.637 20 5 DDBDMN CSc1nc(=O)n(Cc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000355944097 410740966 /nfs/dbraw/zinc/74/09/66/410740966.db2.gz QXTSSWUOKWWOGT-UHFFFAOYSA-N 0 1 300.727 1.903 20 5 DDBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000330579883 410794233 /nfs/dbraw/zinc/79/42/33/410794233.db2.gz IIXFFANDUBLSPZ-NWDGAFQWSA-N 0 1 307.350 1.525 20 5 DDBDMN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CN2CCC1CC2 ZINC000347948306 410809749 /nfs/dbraw/zinc/80/97/49/410809749.db2.gz MFWQQZYRLPNUOG-CQSZACIVSA-N 0 1 307.325 1.900 20 5 DDBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000330599614 410814748 /nfs/dbraw/zinc/81/47/48/410814748.db2.gz ULMZLCIZBONOSL-NWDGAFQWSA-N 0 1 307.350 1.525 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2[nH]nnc2C1 ZINC000359742527 410848417 /nfs/dbraw/zinc/84/84/17/410848417.db2.gz KIJODLSMFNFQSA-UHFFFAOYSA-N 0 1 307.697 1.565 20 5 DDBDMN CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000330602314 410817920 /nfs/dbraw/zinc/81/79/20/410817920.db2.gz FHKOUZBNQXMHOU-JSGCOSHPSA-N 0 1 323.393 1.577 20 5 DDBDMN COc1c(C(=O)N(C)[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000356203258 410893999 /nfs/dbraw/zinc/89/39/99/410893999.db2.gz LLTGALCDHMZTNG-LLVKDONJSA-N 0 1 307.350 1.770 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H]3OCC[C@H]3C2)c1[N+](=O)[O-] ZINC000373342560 418422025 /nfs/dbraw/zinc/42/20/25/418422025.db2.gz AMHDKQDHLOATLO-GXSJLCMTSA-N 0 1 308.338 1.521 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC([C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000373433321 418427173 /nfs/dbraw/zinc/42/71/73/418427173.db2.gz YTCFGUBKLLLBTH-VIFPVBQESA-N 0 1 308.338 1.379 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000373737046 418455219 /nfs/dbraw/zinc/45/52/19/418455219.db2.gz FMRWXBWBEOBUHG-QEJZJMRPSA-N 0 1 303.362 1.989 20 5 DDBDMN Cc1c(CNC(=O)CN(C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000360529604 418457264 /nfs/dbraw/zinc/45/72/64/418457264.db2.gz RJWHICUKICXYSA-ZDUSSCGKSA-N 0 1 323.418 1.957 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H]2CC[C@@H](C1)O2 ZINC000374106662 418488660 /nfs/dbraw/zinc/48/86/60/418488660.db2.gz MCKHZERZSBNIHD-AOOOYVTPSA-N 0 1 302.290 1.475 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](n3cc(C)cn3)C2)c1[N+](=O)[O-] ZINC000291225196 222237110 /nfs/dbraw/zinc/23/71/10/222237110.db2.gz LEVPMODJQXYRSW-JTQLQIEISA-N 0 1 318.337 1.472 20 5 DDBDMN COCCO[C@@H]1COCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000362507282 300081725 /nfs/dbraw/zinc/08/17/25/300081725.db2.gz DPSHTBXLNPJEAJ-NWDGAFQWSA-N 0 1 316.379 1.566 20 5 DDBDMN O=C(CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)NCC1CC1 ZINC000349616756 418642311 /nfs/dbraw/zinc/64/23/11/418642311.db2.gz ODUCDHSPDTZPTA-UHFFFAOYSA-N 0 1 317.305 1.583 20 5 DDBDMN Cc1cnn(C)c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368036995 418676990 /nfs/dbraw/zinc/67/69/90/418676990.db2.gz LBYSRRXWBGGKCC-UHFFFAOYSA-N 0 1 304.354 1.670 20 5 DDBDMN COc1ccc(CN(CCO)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000361563857 418678811 /nfs/dbraw/zinc/67/88/11/418678811.db2.gz LMIMPQYUSNQCTM-DGCLKSJQSA-N 0 1 310.350 1.575 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000408305884 418797402 /nfs/dbraw/zinc/79/74/02/418797402.db2.gz NUDKKMGUNKBDTE-JTQLQIEISA-N 0 1 322.243 1.156 20 5 DDBDMN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000365576864 418878157 /nfs/dbraw/zinc/87/81/57/418878157.db2.gz SQOAPFOJBBKBRA-NWANDNLSSA-N 0 1 303.362 1.745 20 5 DDBDMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000425065320 228359222 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C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420450057 420295374 /nfs/dbraw/zinc/29/53/74/420295374.db2.gz XZMJJAJLIZMBDC-BQBZGAKWSA-N 0 1 307.759 1.262 20 5 DDBDMN COc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448795579 420898151 /nfs/dbraw/zinc/89/81/51/420898151.db2.gz PVCOYSPNGMSOIS-VIFPVBQESA-N 0 1 323.324 1.709 20 5 DDBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000493728790 420926608 /nfs/dbraw/zinc/92/66/08/420926608.db2.gz SIBMFFPBVSABTR-JDPNTUOHSA-N 0 1 301.346 1.961 20 5 DDBDMN C[C@@H]1[C@H](CO)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717125 421108181 /nfs/dbraw/zinc/10/81/81/421108181.db2.gz KGBTXMSTHOJIKE-PWSUYJOCSA-N 0 1 318.333 1.848 20 5 DDBDMN C[C@H]1[C@H](CO)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000488724934 421108676 /nfs/dbraw/zinc/10/86/76/421108676.db2.gz AXHIHJCOCBBSEZ-QWRGUYRKSA-N 0 1 308.334 1.664 20 5 DDBDMN COc1cccc([C@@H]2C[C@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000456528815 421179274 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DDBDMN Cc1c(OS(=O)(=O)CC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000866546445 706726409 /nfs/dbraw/zinc/72/64/09/706726409.db2.gz IJFNJASINUBIPR-UHFFFAOYSA-N 0 1 314.363 1.706 20 5 DDBDMN O=C([O-])[C@@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000846281568 703260927 /nfs/dbraw/zinc/26/09/27/703260927.db2.gz FMBDELLIVOSWKM-GWCFXTLKSA-N 0 1 312.347 1.579 20 5 DDBDMN O=C1O[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000848576851 703564267 /nfs/dbraw/zinc/56/42/67/703564267.db2.gz DABHPJQVZRPGCH-LBPRGKRZSA-N 0 1 309.297 1.807 20 5 DDBDMN Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000848768322 703586334 /nfs/dbraw/zinc/58/63/34/703586334.db2.gz YIESHXNWJSDBPR-WDEREUQCSA-N 0 1 311.769 1.812 20 5 DDBDMN COC(=O)/C=C\c1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000848900284 703600327 /nfs/dbraw/zinc/60/03/27/703600327.db2.gz ZXZLHLXRVOBWQP-PLNGDYQASA-N 0 1 320.305 1.360 20 5 DDBDMN CCc1nc([C@@H](C)OC(=O)c2ccnc(NC)c2[N+](=O)[O-])n[nH]1 ZINC000849820780 703681534 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CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839574774 701742108 /nfs/dbraw/zinc/74/21/08/701742108.db2.gz OVJSYZVEGHKTSI-WUHRBBMRSA-N 0 1 311.382 1.195 20 5 DDBDMN O=C(Nc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839690272 701784974 /nfs/dbraw/zinc/78/49/74/701784974.db2.gz VZCYKIPFTMUXPZ-CHWSQXEVSA-N 0 1 307.375 1.844 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000839694561 701786969 /nfs/dbraw/zinc/78/69/69/701786969.db2.gz PWDCXQUTXZZDGR-LERXQTSPSA-N 0 1 300.318 1.715 20 5 DDBDMN COC(=O)[C@H](C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839701709 701790141 /nfs/dbraw/zinc/79/01/41/701790141.db2.gz ZJJOBGXBRAQMQF-JHEVNIALSA-N 0 1 306.318 1.318 20 5 DDBDMN COC(=O)[C@H](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839727145 701800168 /nfs/dbraw/zinc/80/01/68/701800168.db2.gz WMJCOUFWKAWGKM-OASPWFOLSA-N 0 1 306.318 1.642 20 5 DDBDMN COCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc21 ZINC000839733179 701801944 /nfs/dbraw/zinc/80/19/44/701801944.db2.gz IVXMBRHJVDJKRB-DGCLKSJQSA-N 0 1 319.317 1.173 20 5 DDBDMN CC[C@@H]1CN(C)CCN1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000840092780 701965047 /nfs/dbraw/zinc/96/50/47/701965047.db2.gz XVAMOJCBFBQMRG-LLVKDONJSA-N 0 1 320.349 1.486 20 5 DDBDMN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000840358612 702083077 /nfs/dbraw/zinc/08/30/77/702083077.db2.gz CLUYPZUTCOJTAQ-JTQLQIEISA-N 0 1 311.313 1.275 20 5 DDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCC1CCCCC1 ZINC000840399879 702098046 /nfs/dbraw/zinc/09/80/46/702098046.db2.gz SLGSFGOCIZOJAZ-VXGBXAGGSA-N 0 1 311.382 1.243 20 5 DDBDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840449833 702112905 /nfs/dbraw/zinc/11/29/05/702112905.db2.gz JIBUAFNZEWFBOL-IGHBBLSQSA-N 0 1 320.345 1.188 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000840582527 702162555 /nfs/dbraw/zinc/16/25/55/702162555.db2.gz NOWGZMPNQMERGV-CPCISQLKSA-N 0 1 306.278 1.359 20 5 DDBDMN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840670901 702195053 /nfs/dbraw/zinc/19/50/53/702195053.db2.gz NHJDAMLFOBYEOU-PSASIEDQSA-N 0 1 300.654 1.957 20 5 DDBDMN CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672240 702195993 /nfs/dbraw/zinc/19/59/93/702195993.db2.gz HLLAWGTWOZIJGC-IQJOONFLSA-N 0 1 324.358 1.944 20 5 DDBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCC[C@@H](C)C1 ZINC000840672995 702196818 /nfs/dbraw/zinc/19/68/18/702196818.db2.gz PPTIGNGVEBQUHJ-FDYHWXHSSA-N 0 1 312.366 1.478 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCc2ccccc2C1 ZINC000840672479 702196913 /nfs/dbraw/zinc/19/69/13/702196913.db2.gz QPDRVTZTZBIVQY-ZLKJLUDKSA-N 0 1 318.329 1.168 20 5 DDBDMN O=C(OCc1nccn1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673426 702197449 /nfs/dbraw/zinc/19/74/49/702197449.db2.gz YSZNZLRNEITSRI-CHWSQXEVSA-N 0 1 301.302 1.640 20 5 DDBDMN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842878351 702786272 /nfs/dbraw/zinc/78/62/72/702786272.db2.gz MJAGODQSQPFBBH-MRVPVSSYSA-N 0 1 321.786 1.654 20 5 DDBDMN Nc1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000848747924 703583545 /nfs/dbraw/zinc/58/35/45/703583545.db2.gz AWIWJMPGQRTODG-NSHDSACASA-N 0 1 304.310 1.759 20 5 DDBDMN CSCC[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000849378577 703641227 /nfs/dbraw/zinc/64/12/27/703641227.db2.gz YHSUMZHVBNDNNV-MRVPVSSYSA-N 0 1 305.381 1.410 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1SCCS1 ZINC000851835071 703867268 /nfs/dbraw/zinc/86/72/68/703867268.db2.gz DBBCCJALGDXNAK-UHFFFAOYSA-N 0 1 321.405 1.074 20 5 DDBDMN Cc1nn(CN2CCC3(COC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853598238 704281592 /nfs/dbraw/zinc/28/15/92/704281592.db2.gz OYMJOLHJUVDCFC-UHFFFAOYSA-N 0 1 302.334 1.933 20 5 DDBDMN O=C(NC[C@H](O)c1cccc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000855481250 704487158 /nfs/dbraw/zinc/48/71/58/704487158.db2.gz MNYPVQYBTZOKLT-KFWWJZLASA-N 0 1 300.314 1.655 20 5 DDBDMN CCCCC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858892941 704769368 /nfs/dbraw/zinc/76/93/68/704769368.db2.gz PWUWWZIEZMHNGD-VIFPVBQESA-N 0 1 304.372 1.575 20 5 DDBDMN C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000874829595 705188216 /nfs/dbraw/zinc/18/82/16/705188216.db2.gz MPNFDKCGXGVBQX-KGLIPLIRSA-N 0 1 305.334 1.609 20 5 DDBDMN O=C(OCc1cnnn1-c1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000861202770 705398864 /nfs/dbraw/zinc/39/88/64/705398864.db2.gz KOTGZSQWHSSFOJ-BXKDBHETSA-N 0 1 322.708 1.629 20 5 DDBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861708572 705545299 /nfs/dbraw/zinc/54/52/99/705545299.db2.gz AZGKGERYDGYHCS-NWDGAFQWSA-N 0 1 323.324 1.015 20 5 DDBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861708572 705545303 /nfs/dbraw/zinc/54/53/03/705545303.db2.gz AZGKGERYDGYHCS-NWDGAFQWSA-N 0 1 323.324 1.015 20 5 DDBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863320121 705900228 /nfs/dbraw/zinc/90/02/28/705900228.db2.gz JMLCEEONKNTJDG-SNVBAGLBSA-N 0 1 313.741 1.045 20 5 DDBDMN Cn1cc(CN2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])n1 ZINC000877316031 706061202 /nfs/dbraw/zinc/06/12/02/706061202.db2.gz HBEABNBFTSWBIB-LBPRGKRZSA-N 0 1 310.354 1.303 20 5 DDBDMN COC(=O)[C@]1(O)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000880564954 707019955 /nfs/dbraw/zinc/01/99/55/707019955.db2.gz ALSKIPFRDOPQGH-NHYWBVRUSA-N 0 1 308.334 1.574 20 5 DDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])c1cnn2c1OCCC2 ZINC000837740053 707733694 /nfs/dbraw/zinc/73/36/94/707733694.db2.gz ITUFOSBQTBLQAI-UHFFFAOYSA-N 0 1 319.273 1.636 20 5 DDBDMN CN1CCC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000837960800 707798778 /nfs/dbraw/zinc/79/87/78/707798778.db2.gz VPSNMMYCBAERGX-LLVKDONJSA-N 0 1 308.290 1.212 20 5 DDBDMN Cc1nc2ccccc2n1CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839485690 708051399 /nfs/dbraw/zinc/05/13/99/708051399.db2.gz BKTKFVFCFDJJGJ-BXUZGUMPSA-N 0 1 302.334 1.516 20 5 DDBDMN C[C@@](O)(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)F ZINC000886067227 708691346 /nfs/dbraw/zinc/69/13/46/708691346.db2.gz IPYOMZYTXVUBMZ-TVQRCGJNSA-N 0 1 316.308 1.492 20 5 DDBDMN O=[N+]([O-])CCNC[C@H](O)COc1cccc(Cl)c1Cl ZINC000899876364 709224656 /nfs/dbraw/zinc/22/46/56/709224656.db2.gz RNYLAWMNRQLIAI-QMMMGPOBSA-N 0 1 309.149 1.599 20 5 DDBDMN CC(C)(CCC(=O)N[C@@H]1CCCN2CCSC[C@H]12)[N+](=O)[O-] ZINC000928084743 713122364 /nfs/dbraw/zinc/12/23/64/713122364.db2.gz XPRKLSFGLPZEPD-VXGBXAGGSA-N 0 1 315.439 1.518 20 5 DDBDMN COc1c(O)ccc(CN2CCC(CCO)CC2)c1[N+](=O)[O-] ZINC000891570687 710238355 /nfs/dbraw/zinc/23/83/55/710238355.db2.gz CUKVLOZFSHLSQA-UHFFFAOYSA-N 0 1 310.350 1.903 20 5 DDBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000913537855 713249093 /nfs/dbraw/zinc/24/90/93/713249093.db2.gz SRDMSEURFUVDLV-TXEJJXNPSA-N 0 1 304.350 1.312 20 5 DDBDMN CCN1[C@H](C)CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000895101576 711411916 /nfs/dbraw/zinc/41/19/16/711411916.db2.gz HUUITOCQKVHLOZ-PHIMTYICSA-N 0 1 322.365 1.695 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000895246340 711463838 /nfs/dbraw/zinc/46/38/38/711463838.db2.gz NBFHJVGEASGMPJ-JQWIXIFHSA-N 0 1 310.402 1.166 20 5 DDBDMN Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC000896568493 711754724 /nfs/dbraw/zinc/75/47/24/711754724.db2.gz NLSJDHOVGYFGJI-SWLSCSKDSA-N 0 1 320.393 1.267 20 5 DDBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC12CCN(CC1)C2 ZINC000913633092 713273176 /nfs/dbraw/zinc/27/31/76/713273176.db2.gz LLIRSDZRYYXNBP-ZRDIBKRKSA-N 0 1 301.346 1.963 20 5 DDBDMN O=[N+]([O-])CCNCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000905274703 711988939 /nfs/dbraw/zinc/98/89/39/711988939.db2.gz PTTZAXNFCVFQSW-UHFFFAOYSA-N 0 1 306.771 1.370 20 5 DDBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](C4OCCO4)C3)nc2c1 ZINC000932005440 714231741 /nfs/dbraw/zinc/23/17/41/714231741.db2.gz RMOASYLIGZYUAN-SNVBAGLBSA-N 0 1 319.317 1.931 20 5 DDBDMN 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863882493 /nfs/dbraw/zinc/88/24/93/863882493.db2.gz VLMRNPGGUHCPMO-UHFFFAOYSA-N 0 1 321.296 1.389 20 5 DDBDMN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCN(C)CC12CCCC2 ZINC001158409835 864635990 /nfs/dbraw/zinc/63/59/90/864635990.db2.gz BTWSTAGCMHQKLS-UHFFFAOYSA-N 0 1 306.366 1.601 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097748 865106135 /nfs/dbraw/zinc/10/61/35/865106135.db2.gz LOULSSCOKFWEIG-UWVGGRQHSA-N 0 1 309.297 1.169 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097748 865106140 /nfs/dbraw/zinc/10/61/40/865106140.db2.gz LOULSSCOKFWEIG-UWVGGRQHSA-N 0 1 309.297 1.169 20 5 DDBDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccnc3[N+](=O)[O-])C[C@H]1N2C ZINC001225629919 881944432 /nfs/dbraw/zinc/94/44/32/881944432.db2.gz SUPDTKQTLZJECC-FMSGJZPZSA-N 0 1 321.333 1.535 20 5 DDBDMN O=C(Nc1nc(CCO)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001161366183 866593453 /nfs/dbraw/zinc/59/34/53/866593453.db2.gz JVVZINQFYWUWNL-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/23/40/29/871234029.db2.gz NLKUXGAWEHDZRH-UHFFFAOYSA-N 0 1 307.335 1.430 20 5 DDBDMN CC(C)(C)c1ccc(C(=O)N2CCNC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001340843460 871385602 /nfs/dbraw/zinc/38/56/02/871385602.db2.gz AUSSNSSORVAVGL-GFCCVEGCSA-N 0 1 321.377 1.299 20 5 DDBDMN COC(=O)N(C)CCNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001308864771 871534632 /nfs/dbraw/zinc/53/46/32/871534632.db2.gz ODGBCGIPMVYIFW-UHFFFAOYSA-N 0 1 313.310 1.097 20 5 DDBDMN COCC[C@@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001342993433 872462860 /nfs/dbraw/zinc/46/28/60/872462860.db2.gz JIWJWHKULKUPFN-CYBMUJFWSA-N 0 1 321.377 1.662 20 5 DDBDMN Cc1cc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])s1 ZINC001211407382 875792466 /nfs/dbraw/zinc/79/24/66/875792466.db2.gz UWKLFBJQMRKFFV-ZCFIWIBFSA-N 0 1 317.352 1.122 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001352971972 877047152 /nfs/dbraw/zinc/04/71/52/877047152.db2.gz YHXZOYKECKIWJG-SNVBAGLBSA-N 0 1 321.381 1.715 20 5 DDBDMN CC[N@H+]1CC[C@@H](Oc2cc([O-])c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808570 883679415 /nfs/dbraw/zinc/67/94/15/883679415.db2.gz CBCBNWVUYDESCG-SECBINFHSA-N 0 1 310.306 1.560 20 5 DDBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1OC[C@@H]1COCO1 ZINC001228857998 883701468 /nfs/dbraw/zinc/70/14/68/883701468.db2.gz AHGPJAZYBMJXHN-YFKPBYRVSA-N 0 1 310.184 1.466 20 5 DDBDMN Cc1cn2c(n1)[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])CCC2 ZINC001229378098 883952216 /nfs/dbraw/zinc/95/22/16/883952216.db2.gz FRSLWQYACQGJQE-VIFPVBQESA-N 0 1 305.294 1.818 20 5 DDBDMN CC(C)Cn1c([C@H](C)[N+](=O)[O-])nnc1N1CCN(C(C)C)CC1 ZINC001263415996 900605381 /nfs/dbraw/zinc/60/53/81/900605381.db2.gz SUIPIUMAQMGLPG-ZDUSSCGKSA-N 0 1 324.429 1.802 20 5 DDBDMN CCN(CCNC(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284647040 909295799 /nfs/dbraw/zinc/29/57/99/909295799.db2.gz HBDWFMAEXPSNLJ-ZIAGYGMSSA-N 0 1 319.361 1.239 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000076855516 185047060 /nfs/dbraw/zinc/04/70/60/185047060.db2.gz VIJIZXQMXVIRCO-UHFFFAOYSA-N 0 1 304.306 1.712 20 5 DDBDMN NC(=O)[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000079192529 185161291 /nfs/dbraw/zinc/16/12/91/185161291.db2.gz JJDJNAUJKCBEJH-AWEZNQCLSA-N 0 1 307.350 1.704 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@](O)(C(F)F)C1 ZINC000451432902 231093520 /nfs/dbraw/zinc/09/35/20/231093520.db2.gz OPRWQZOGZCNAHA-ZDUSSCGKSA-N 0 1 302.277 1.676 20 5 DDBDMN CCc1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000452177914 529737709 /nfs/dbraw/zinc/73/77/09/529737709.db2.gz FBCFJIDHHMDHRW-UHFFFAOYSA-N 0 1 307.285 1.273 20 5 DDBDMN CCc1nc(CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000452183372 529739303 /nfs/dbraw/zinc/73/93/03/529739303.db2.gz UYIVLVXLVLCNRQ-QMMMGPOBSA-N 0 1 321.312 1.834 20 5 DDBDMN Cc1ccc([C@@H](C)NCC(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000181817133 199357338 /nfs/dbraw/zinc/35/73/38/199357338.db2.gz ADHVYGHKIFTEQN-SNVBAGLBSA-N 0 1 306.322 1.106 20 5 DDBDMN C[C@H](CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC000358384118 299138223 /nfs/dbraw/zinc/13/82/23/299138223.db2.gz RWEJXNWTDGFCJB-MRVPVSSYSA-N 0 1 322.300 1.052 20 5 DDBDMN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1C[C@H](C)O ZINC000266849092 186358409 /nfs/dbraw/zinc/35/84/09/186358409.db2.gz QBOPVBYYCFYYRJ-QWHCGFSZSA-N 0 1 308.382 1.580 20 5 DDBDMN CC(C)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000026712592 352210410 /nfs/dbraw/zinc/21/04/10/352210410.db2.gz COFUGLUIALAWQA-UHFFFAOYSA-N 0 1 317.349 1.362 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C1CC1 ZINC000067717839 353064066 /nfs/dbraw/zinc/06/40/66/353064066.db2.gz HSVGKVAMVXBPOD-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN C[C@H](O)CCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000072714446 353210680 /nfs/dbraw/zinc/21/06/80/353210680.db2.gz JRSVQZPDZCJNEG-SMDDNHRTSA-N 0 1 307.350 1.403 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1nnc[nH]1 ZINC000174813941 198388670 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COc1cc(NC[C@H](C)N2CCN(C)CC2)c([N+](=O)[O-])cc1C ZINC000596103294 356772587 /nfs/dbraw/zinc/77/25/87/356772587.db2.gz CZSRNBNOFLGYDA-ZDUSSCGKSA-N 0 1 322.409 1.960 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCCN1 ZINC000597643226 357266864 /nfs/dbraw/zinc/26/68/64/357266864.db2.gz PTYHQRACZOEHLO-UHFFFAOYSA-N 0 1 301.306 1.726 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)CC2=CCCOC2)c1[N+](=O)[O-] ZINC000598197718 357493640 /nfs/dbraw/zinc/49/36/40/357493640.db2.gz SAEOKSDBADEQIF-UHFFFAOYSA-N 0 1 308.338 1.689 20 5 DDBDMN O=C(NC[C@@H](CO)CC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598294119 357529969 /nfs/dbraw/zinc/52/99/69/357529969.db2.gz YIDJOLWWPOVESL-JTQLQIEISA-N 0 1 318.333 1.610 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000598355576 357550427 /nfs/dbraw/zinc/55/04/27/357550427.db2.gz WMGPASPELVIXBL-VIFPVBQESA-N 0 1 308.338 1.800 20 5 DDBDMN Cc1nc(N2CCC(C)(N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599161056 357833559 /nfs/dbraw/zinc/83/35/59/357833559.db2.gz 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COCC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOCC1 ZINC000595502576 356521396 /nfs/dbraw/zinc/52/13/96/356521396.db2.gz ZSXSPOSTNXLYFJ-UHFFFAOYSA-N 0 1 320.349 1.756 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@H](O)C12CCC2 ZINC000595781109 356649527 /nfs/dbraw/zinc/64/95/27/356649527.db2.gz KDFDQMQMNQEODE-KBPBESRZSA-N 0 1 319.361 1.735 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H]2COC[C@@]2(C)C1 ZINC000595755459 356637418 /nfs/dbraw/zinc/63/74/18/356637418.db2.gz ARLLWCNSJQONHQ-BFQNTYOBSA-N 0 1 319.361 1.890 20 5 DDBDMN C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816420 356661843 /nfs/dbraw/zinc/66/18/43/356661843.db2.gz WZMKQJBKGLOCLA-TZMCWYRMSA-N 0 1 324.381 1.186 20 5 DDBDMN CN(Cc1cnc[nH]1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596307363 356852917 /nfs/dbraw/zinc/85/29/17/356852917.db2.gz VIFREJJIFARZSK-UHFFFAOYSA-N 0 1 316.364 1.419 20 5 DDBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCCCc1nc[nH]n1 ZINC000597609165 357252565 /nfs/dbraw/zinc/25/25/65/357252565.db2.gz HIPGCOOISAVFTR-UHFFFAOYSA-N 0 1 319.321 1.231 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000597611942 357254154 /nfs/dbraw/zinc/25/41/54/357254154.db2.gz VEHOODAUGVXDEC-ZETCQYMHSA-N 0 1 307.266 1.031 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2cn[nH]c2)c1[N+](=O)[O-] ZINC000597729936 357307558 /nfs/dbraw/zinc/30/75/58/357307558.db2.gz SHKMJOOCQBESSH-JTQLQIEISA-N 0 1 304.310 1.581 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](O)C(F)(F)C2)c1[N+](=O)[O-] ZINC000598000327 357416389 /nfs/dbraw/zinc/41/63/89/357416389.db2.gz IEQVLZNOAXHLTF-ZETCQYMHSA-N 0 1 318.280 1.283 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2=CCCOC2)c1[N+](=O)[O-] ZINC000598197595 357492596 /nfs/dbraw/zinc/49/25/96/357492596.db2.gz NPQLUIUOSLABJF-UHFFFAOYSA-N 0 1 308.338 1.860 20 5 DDBDMN O=[N+]([O-])c1cc2c(nc1NCCN1CC[C@@H](O)C1)CCCC2 ZINC000599176743 357840097 /nfs/dbraw/zinc/84/00/97/357840097.db2.gz WBICNJDUHNCKKS-GFCCVEGCSA-N 0 1 306.366 1.347 20 5 DDBDMN CC(C)CC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599204166 357850006 /nfs/dbraw/zinc/85/00/06/357850006.db2.gz TXNHUCYWAZKNRD-VIFPVBQESA-N 0 1 304.372 1.431 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000599342752 357903355 /nfs/dbraw/zinc/90/33/55/357903355.db2.gz UVBJNWMSVOOFSI-LPEHRKFASA-N 0 1 314.367 1.043 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1(C)COC1 ZINC000599571634 357979530 /nfs/dbraw/zinc/97/95/30/357979530.db2.gz OKMJQLAWSBIYKR-LLVKDONJSA-N 0 1 307.350 1.890 20 5 DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000599673175 358019516 /nfs/dbraw/zinc/01/95/16/358019516.db2.gz QOIMTLDORXYMSN-VDISTLRHSA-N 0 1 307.350 1.260 20 5 DDBDMN CC(=O)NC[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600806909 358320156 /nfs/dbraw/zinc/32/01/56/358320156.db2.gz WITQMQIVGJNMRH-GFCCVEGCSA-N 0 1 321.333 1.431 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973313 358760331 /nfs/dbraw/zinc/76/03/31/358760331.db2.gz JVXPQFJQNQMZCG-UTUOFQBUSA-N 0 1 305.334 1.500 20 5 DDBDMN CNC(=O)[C@H]1CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348160656 283396253 /nfs/dbraw/zinc/39/62/53/283396253.db2.gz LTLVMHNZCCAKDJ-QWRGUYRKSA-N 0 1 317.349 1.475 20 5 DDBDMN Cc1[nH]ncc1CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000602174147 358863170 /nfs/dbraw/zinc/86/31/70/358863170.db2.gz UJAZCODNUXYHKX-UHFFFAOYSA-N 0 1 317.349 1.721 20 5 DDBDMN CC(=O)NCC[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602662262 359109335 /nfs/dbraw/zinc/10/93/35/359109335.db2.gz NKACZYITYMIHOT-GFCCVEGCSA-N 0 1 309.370 1.067 20 5 DDBDMN Cc1nn(C)cc1[C@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602789276 359192955 /nfs/dbraw/zinc/19/29/55/359192955.db2.gz UAVWXWIIFLQZOG-CQSZACIVSA-N 0 1 318.381 1.979 20 5 DDBDMN C[C@@](CO)(NCCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962378 359325018 /nfs/dbraw/zinc/32/50/18/359325018.db2.gz KCLKSMMDDYETHZ-HOTGVXAUSA-N 0 1 324.377 1.935 20 5 DDBDMN C[C@](CO)(NCCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602965498 359329020 /nfs/dbraw/zinc/32/90/20/359329020.db2.gz HBDWYINPLFCTGF-GFCCVEGCSA-N 0 1 322.283 1.971 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)Cc1nnc[nH]1 ZINC000186783626 200009293 /nfs/dbraw/zinc/00/92/93/200009293.db2.gz NRMSWDZBGJTNCD-UHFFFAOYSA-N 0 1 306.282 1.385 20 5 DDBDMN C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCN1 ZINC000237586372 202293589 /nfs/dbraw/zinc/29/35/89/202293589.db2.gz JZQXMKNNARIQKJ-NSHDSACASA-N 0 1 315.333 1.214 20 5 DDBDMN COc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)cc([N+](=O)[O-])c1C ZINC000188524613 200261626 /nfs/dbraw/zinc/26/16/26/200261626.db2.gz MNUXNQJFUHLLSO-QMMMGPOBSA-N 0 1 305.294 1.521 20 5 DDBDMN O=C(CCc1cnc[nH]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000188892433 200317486 /nfs/dbraw/zinc/31/74/86/200317486.db2.gz STKUDSMTEVALPW-UHFFFAOYSA-N 0 1 303.322 1.479 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000609269114 360286053 /nfs/dbraw/zinc/28/60/53/360286053.db2.gz LFKIQEROWAIKGK-AWEZNQCLSA-N 0 1 321.377 1.744 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000609599861 360331556 /nfs/dbraw/zinc/33/15/56/360331556.db2.gz NALMANVVWDIVHF-UHFFFAOYSA-N 0 1 321.381 1.581 20 5 DDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(C)[nH]n1 ZINC000610005177 360372089 /nfs/dbraw/zinc/37/20/89/360372089.db2.gz FOYAPVDUJBNVKO-UHFFFAOYSA-N 0 1 324.362 1.667 20 5 DDBDMN Cc1nc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cs1 ZINC000610260979 360403017 /nfs/dbraw/zinc/40/30/17/360403017.db2.gz MHINNFIRXZVBRU-UHFFFAOYSA-N 0 1 314.348 1.233 20 5 DDBDMN Cc1c([C@H](C)NCC(=O)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000610805631 360541463 /nfs/dbraw/zinc/54/14/63/360541463.db2.gz LKNVKQLSDCNLQC-ZDUSSCGKSA-N 0 1 320.393 1.328 20 5 DDBDMN CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088143 360618884 /nfs/dbraw/zinc/61/88/84/360618884.db2.gz FKWWNQUYKBKUQE-GFCCVEGCSA-N 0 1 307.350 1.526 20 5 DDBDMN CCN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092116 360621486 /nfs/dbraw/zinc/62/14/86/360621486.db2.gz JAESPISAXNWFTR-STQMWFEESA-N 0 1 320.393 1.948 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN(CCO)CC1CC1)OCCO2 ZINC000611265547 360684038 /nfs/dbraw/zinc/68/40/38/360684038.db2.gz NOYMTJOKMJEQLM-UHFFFAOYSA-N 0 1 308.334 1.570 20 5 DDBDMN COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000611535132 360751265 /nfs/dbraw/zinc/75/12/65/360751265.db2.gz JERDXJIGDWGBAA-LLVKDONJSA-N 0 1 323.349 1.141 20 5 DDBDMN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000272048188 209417893 /nfs/dbraw/zinc/41/78/93/209417893.db2.gz PVNCZGVIPUACMQ-AMIZOPFISA-N 0 1 322.296 1.963 20 5 DDBDMN C[C@@H](c1ccncc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091990462 193138282 /nfs/dbraw/zinc/13/82/82/193138282.db2.gz HVYPQZMUUUXEHI-LBPRGKRZSA-N 0 1 302.334 1.845 20 5 DDBDMN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000275113835 212129433 /nfs/dbraw/zinc/12/94/33/212129433.db2.gz DQMLLZVEGSUEHY-ZCFIWIBFSA-N 0 1 310.232 1.012 20 5 DDBDMN COc1ccc(NC(=O)CN[C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])c1 ZINC000566425509 304153842 /nfs/dbraw/zinc/15/38/42/304153842.db2.gz ZLTMHORCDGDHLJ-CHWSQXEVSA-N 0 1 323.349 1.291 20 5 DDBDMN C[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000282935197 217336580 /nfs/dbraw/zinc/33/65/80/217336580.db2.gz GDHBTDUKGXGNMN-ONGXEEELSA-N 0 1 315.333 1.695 20 5 DDBDMN C[C@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000282935197 217336581 /nfs/dbraw/zinc/33/65/81/217336581.db2.gz GDHBTDUKGXGNMN-ONGXEEELSA-N 0 1 315.333 1.695 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000019775172 182146633 /nfs/dbraw/zinc/14/66/33/182146633.db2.gz YOODOSFWEIVOMK-NSHDSACASA-N 0 1 321.333 1.638 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000019775172 182146636 /nfs/dbraw/zinc/14/66/36/182146636.db2.gz YOODOSFWEIVOMK-NSHDSACASA-N 0 1 321.333 1.638 20 5 DDBDMN CCOC(=O)c1c(C)n[nH]c1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000566775687 304180325 /nfs/dbraw/zinc/18/03/25/304180325.db2.gz JGKOFFXEICITFE-UHFFFAOYSA-N 0 1 307.310 1.665 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086468896 291600932 /nfs/dbraw/zinc/60/09/32/291600932.db2.gz YKOOAPQPAYAPLN-ZJUUUORDSA-N 0 1 313.379 1.274 20 5 DDBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(F)c1 ZINC000284837649 218200540 /nfs/dbraw/zinc/20/05/40/218200540.db2.gz BSDWAFCFNXCJCZ-GFCCVEGCSA-N 0 1 321.312 1.490 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC3(CC2)OCCO3)c1 ZINC000062351199 184231625 /nfs/dbraw/zinc/23/16/25/184231625.db2.gz DCRVZGUGXDQJFQ-CQSZACIVSA-N 0 1 308.334 1.467 20 5 DDBDMN O=C1OCC[C@@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119986926 195075033 /nfs/dbraw/zinc/07/50/33/195075033.db2.gz ROMKRKPMMAGSMA-ZDUSSCGKSA-N 0 1 319.361 1.670 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155115220 197023470 /nfs/dbraw/zinc/02/34/70/197023470.db2.gz OYFPSVZFWGBIMF-QWRGUYRKSA-N 0 1 309.370 1.041 20 5 DDBDMN COc1cc(CNCCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000352849539 285334410 /nfs/dbraw/zinc/33/44/10/285334410.db2.gz POXXZXPITMRUEY-UHFFFAOYSA-N 0 1 306.265 1.329 20 5 DDBDMN CC(C)N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075635295 406938243 /nfs/dbraw/zinc/93/82/43/406938243.db2.gz UNCYKVVPTIBNFE-UHFFFAOYSA-N 0 1 320.393 1.584 20 5 DDBDMN O=C(CN1CCN(CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053237032 407165524 /nfs/dbraw/zinc/16/55/24/407165524.db2.gz SLXFYNXXZSJNLH-UHFFFAOYSA-N 0 1 318.377 1.561 20 5 DDBDMN CC(C)NC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196724 407208824 /nfs/dbraw/zinc/20/88/24/407208824.db2.gz HFFCFZRIZQLSFV-GHMZBOCLSA-N 0 1 322.365 1.868 20 5 DDBDMN COCCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000122984501 407316045 /nfs/dbraw/zinc/31/60/45/407316045.db2.gz JGQZWXLEGYIQDS-GQCTYLIASA-N 0 1 305.378 1.872 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000124704860 407367186 /nfs/dbraw/zinc/36/71/86/407367186.db2.gz DNSUTKAYVXEZRN-OAHLLOKOSA-N 0 1 317.349 1.212 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN(Cc2cccnc2)C2CC2)c1 ZINC000124704860 407367188 /nfs/dbraw/zinc/36/71/88/407367188.db2.gz DNSUTKAYVXEZRN-OAHLLOKOSA-N 0 1 317.349 1.212 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000271019495 407472556 /nfs/dbraw/zinc/47/25/56/407472556.db2.gz HTROCODJWSYIKZ-ZCFIWIBFSA-N 0 1 322.300 1.488 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCOC1 ZINC000178763741 407589093 /nfs/dbraw/zinc/58/90/93/407589093.db2.gz MZHMXAORDXUXKO-LLVKDONJSA-N 0 1 323.349 1.510 20 5 DDBDMN CC[C@@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000266397149 407538158 /nfs/dbraw/zinc/53/81/58/407538158.db2.gz OXUDAIOITGXYOQ-CHWSQXEVSA-N 0 1 323.393 1.885 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccnc1 ZINC000128547337 407546606 /nfs/dbraw/zinc/54/66/06/407546606.db2.gz QDZYYKBZUNERMX-UHFFFAOYSA-N 0 1 311.294 1.607 20 5 DDBDMN Cc1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1[N+](=O)[O-] ZINC000129509291 407615435 /nfs/dbraw/zinc/61/54/35/407615435.db2.gz XVWAXLUTSNPJFR-LLVKDONJSA-N 0 1 316.321 1.436 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000178894323 407644744 /nfs/dbraw/zinc/64/47/44/407644744.db2.gz DYHKWJIOMZADAH-UWVGGRQHSA-N 0 1 307.306 1.328 20 5 DDBDMN CC(C)(C)OC(=O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266935254 407683809 /nfs/dbraw/zinc/68/38/09/407683809.db2.gz UQFXJALGLWXVJR-UHFFFAOYSA-N 0 1 324.381 1.845 20 5 DDBDMN COc1ccc(OCC[N@H+]2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000262168537 407757467 /nfs/dbraw/zinc/75/74/67/407757467.db2.gz UROGYLLAKLUHBQ-LLVKDONJSA-N 0 1 310.306 1.531 20 5 DDBDMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1n[nH]c(C2CC2)n1 ZINC000179646362 407818475 /nfs/dbraw/zinc/81/84/75/407818475.db2.gz QZBFVBCUGMPIMV-UHFFFAOYSA-N 0 1 313.273 1.387 20 5 DDBDMN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[N@H+]1C1CC1 ZINC000133602281 407863247 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C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nnc[nH]1 ZINC000175934921 408243365 /nfs/dbraw/zinc/24/33/65/408243365.db2.gz QZHVAJPDUZEIEV-SSDOTTSWSA-N 0 1 309.713 1.786 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175775679 408200853 /nfs/dbraw/zinc/20/08/53/408200853.db2.gz ZJDCKBBZRMVTCU-PWSUYJOCSA-N 0 1 307.350 1.713 20 5 DDBDMN CCC[C@@H](NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])c1nn[nH]n1 ZINC000269468987 408320126 /nfs/dbraw/zinc/32/01/26/408320126.db2.gz IQFCBUDYGZBEHB-SSDOTTSWSA-N 0 1 322.329 1.226 20 5 DDBDMN CC[C@H](CO)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000269438933 408310461 /nfs/dbraw/zinc/31/04/61/408310461.db2.gz CZUXVKRZEGQURJ-CQSZACIVSA-N 0 1 321.377 1.052 20 5 DDBDMN CC[C@@H](CO)N1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645966 408373470 /nfs/dbraw/zinc/37/34/70/408373470.db2.gz KZSWYXZWCNFPMO-HOCLYGCPSA-N 0 1 323.393 1.017 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@](C)(C(=O)OC)C2)c1[N+](=O)[O-] ZINC000177202993 408552740 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CCc1[nH]nc(C(=O)N(CC2CCC2)[C@H](C)CO)c1[N+](=O)[O-] ZINC000280885562 408853952 /nfs/dbraw/zinc/85/39/52/408853952.db2.gz UOSGSPTZVGZHIT-SECBINFHSA-N 0 1 310.354 1.503 20 5 DDBDMN CCNC(=O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236885772 163365963 /nfs/dbraw/zinc/36/59/63/163365963.db2.gz QZAVHAIIKMIPCB-UHFFFAOYSA-N 0 1 317.349 1.221 20 5 DDBDMN CCOc1cc(CN(CC)CCOCCO)ccc1[N+](=O)[O-] ZINC000282185875 409007348 /nfs/dbraw/zinc/00/73/48/409007348.db2.gz WDSBZFIPXGASIR-UHFFFAOYSA-N 0 1 312.366 1.824 20 5 DDBDMN CN1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000285018801 409394462 /nfs/dbraw/zinc/39/44/62/409394462.db2.gz MRVRPDUFEFIHCA-RYUDHWBXSA-N 0 1 310.329 1.225 20 5 DDBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000295388439 409461694 /nfs/dbraw/zinc/46/16/94/409461694.db2.gz ITKMQNRJDVTHDB-UHFFFAOYSA-N 0 1 303.278 1.226 20 5 DDBDMN CC[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000316535487 164022598 /nfs/dbraw/zinc/02/25/98/164022598.db2.gz WWTFEBDLFOZVMC-OLZOCXBDSA-N 0 1 305.334 1.783 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000331575620 409653829 /nfs/dbraw/zinc/65/38/29/409653829.db2.gz KNSSTHMIJPCWGA-GFCCVEGCSA-N 0 1 322.365 1.912 20 5 DDBDMN CSc1ccc(C(=O)N2CCc3[nH]nnc3C2)cc1[N+](=O)[O-] ZINC000346058531 409746742 /nfs/dbraw/zinc/74/67/42/409746742.db2.gz MYNYVSLTKPWPFA-UHFFFAOYSA-N 0 1 319.346 1.633 20 5 DDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313353944 409806483 /nfs/dbraw/zinc/80/64/83/409806483.db2.gz MNIKOGGIGBCMBD-OAHLLOKOSA-N 0 1 314.345 1.720 20 5 DDBDMN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354450205 409863569 /nfs/dbraw/zinc/86/35/69/409863569.db2.gz JXTMVVOUERYFPW-ZDUSSCGKSA-N 0 1 312.391 1.504 20 5 DDBDMN COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000338368927 409943302 /nfs/dbraw/zinc/94/33/02/409943302.db2.gz HZMSIGDVENCBPZ-JTQLQIEISA-N 0 1 320.280 1.883 20 5 DDBDMN COc1ccc(OC)c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000343095128 410138418 /nfs/dbraw/zinc/13/84/18/410138418.db2.gz NEYHOPSPMDVVII-UHFFFAOYSA-N 0 1 306.278 1.265 20 5 DDBDMN CC(C)(C)C1=CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354920200 410172998 /nfs/dbraw/zinc/17/29/98/410172998.db2.gz XIOAKYIJVPREQO-UHFFFAOYSA-N 0 1 321.381 1.726 20 5 DDBDMN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339616196 410330628 /nfs/dbraw/zinc/33/06/28/410330628.db2.gz YRGMMGYWMMWTJV-CHWSQXEVSA-N 0 1 320.393 1.582 20 5 DDBDMN Cc1ccc(CNC(C)(C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358251512 410419371 /nfs/dbraw/zinc/41/93/71/410419371.db2.gz CBYFPYYYOSHWMN-UHFFFAOYSA-N 0 1 300.380 1.816 20 5 DDBDMN Cc1ccc([C@H](C)NC[C@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358261602 410425301 /nfs/dbraw/zinc/42/53/01/410425301.db2.gz YPNBANBJPROIGD-QWRGUYRKSA-N 0 1 300.380 1.987 20 5 DDBDMN O=C(NCc1nc2cc(F)ccc2o1)c1n[nH]cc1[N+](=O)[O-] ZINC000352026111 410429187 /nfs/dbraw/zinc/42/91/87/410429187.db2.gz DRKRIJFKECKXEC-UHFFFAOYSA-N 0 1 305.225 1.528 20 5 DDBDMN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352130537 410501159 /nfs/dbraw/zinc/50/11/59/410501159.db2.gz ZLBMMFCWXHZDBI-CABCVRRESA-N 0 1 314.297 1.689 20 5 DDBDMN CCOc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301507761 410731506 /nfs/dbraw/zinc/73/15/06/410731506.db2.gz HMLKTWVJQWVXJL-QWHCGFSZSA-N 0 1 323.393 1.885 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355824087 410688295 /nfs/dbraw/zinc/68/82/95/410688295.db2.gz GSTXLWVEXGRNQB-LLVKDONJSA-N 0 1 323.349 1.054 20 5 DDBDMN CCN(Cc1cn(C)nn1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359667557 410806399 /nfs/dbraw/zinc/80/63/99/410806399.db2.gz WRJIWYZXDRKSGD-UHFFFAOYSA-N 0 1 305.294 1.091 20 5 DDBDMN C[C@@H](C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000580084018 422885387 /nfs/dbraw/zinc/88/53/87/422885387.db2.gz KGEGWXITNMRGCW-VIFPVBQESA-N 0 1 320.305 1.797 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000287455872 418574087 /nfs/dbraw/zinc/57/40/87/418574087.db2.gz RTULUNHRJIYROU-KOLCDFICSA-N 0 1 310.354 1.782 20 5 DDBDMN Cc1cc(N2CCN(C(=O)CN(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000290902787 222006609 /nfs/dbraw/zinc/00/66/09/222006609.db2.gz FHKRPLGUAWMEAH-UHFFFAOYSA-N 0 1 324.356 1.253 20 5 DDBDMN Cn1nc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1C1CC1 ZINC000291146845 222173263 /nfs/dbraw/zinc/17/32/63/222173263.db2.gz OPAZFQGSZNJOHL-UHFFFAOYSA-N 0 1 302.294 1.443 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362055737 418745699 /nfs/dbraw/zinc/74/56/99/418745699.db2.gz NHJIIEZLYDTUFR-DRZSPHRISA-N 0 1 321.377 1.790 20 5 DDBDMN C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](C)CN1C ZINC000408106244 418788806 /nfs/dbraw/zinc/78/88/06/418788806.db2.gz XBISAYXQOTZOKR-ZJUUUORDSA-N 0 1 317.349 1.772 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000365798525 418910464 /nfs/dbraw/zinc/91/04/64/418910464.db2.gz SHEHTPVOXNNITE-GHYVTOPFSA-N 0 1 324.764 1.540 20 5 DDBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000424875451 228327892 /nfs/dbraw/zinc/32/78/92/228327892.db2.gz DPKUVAXJOYZIQC-UHFFFAOYSA-N 0 1 316.264 1.442 20 5 DDBDMN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425067074 228360113 /nfs/dbraw/zinc/36/01/13/228360113.db2.gz QMUHPSNKZPHADT-MRVPVSSYSA-N 0 1 321.724 1.996 20 5 DDBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1CCO ZINC000418118630 419545592 /nfs/dbraw/zinc/54/55/92/419545592.db2.gz TVCCGWBNOQIJHB-RYUDHWBXSA-N 0 1 311.357 1.621 20 5 DDBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1CCO ZINC000418118624 419548035 /nfs/dbraw/zinc/54/80/35/419548035.db2.gz TVCCGWBNOQIJHB-NEPJUHHUSA-N 0 1 311.357 1.621 20 5 DDBDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079904 419631444 /nfs/dbraw/zinc/63/14/44/419631444.db2.gz LKJRHFUZRYJXID-GWCFXTLKSA-N 0 1 307.350 1.287 20 5 DDBDMN C[NH+](C)C1(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000419001271 420042434 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DDBDMN COCCNC(=O)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000459759658 420866985 /nfs/dbraw/zinc/86/69/85/420866985.db2.gz RNLPLMDQEPHTOB-GQCTYLIASA-N 0 1 319.361 1.493 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000459784535 420872905 /nfs/dbraw/zinc/87/29/05/420872905.db2.gz ACAXREOGHXPCAM-OBJOEFQTSA-N 0 1 310.375 1.524 20 5 DDBDMN COC[C@@]1(CO)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449696755 421061573 /nfs/dbraw/zinc/06/15/73/421061573.db2.gz LDYWPVXYQBURSA-LEXSJLIMSA-N 0 1 306.362 1.939 20 5 DDBDMN O=C1OCC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CCN12 ZINC000495651817 421041014 /nfs/dbraw/zinc/04/10/14/421041014.db2.gz NRZDWJMUIRWEPE-NSHDSACASA-N 0 1 307.306 1.327 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000456362494 421149542 /nfs/dbraw/zinc/14/95/42/421149542.db2.gz WPZUVFKJQZKYPL-GFCCVEGCSA-N 0 1 309.370 1.124 20 5 DDBDMN C[C@@]1(CO)CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000545396209 421256257 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UABRMCUYWBKWFI-LBPRGKRZSA-N 0 1 323.740 1.940 20 5 DDBDMN CSCC[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342294591 271370025 /nfs/dbraw/zinc/37/00/25/271370025.db2.gz QJKPMNPPCFZNRR-ZDUSSCGKSA-N 0 1 311.407 1.894 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345933152 272369009 /nfs/dbraw/zinc/36/90/09/272369009.db2.gz AJOUXZLKUHILBL-VXGBXAGGSA-N 0 1 309.370 1.123 20 5 DDBDMN CSc1cccc(C(=O)N2CCc3[nH]nnc3C2)c1[N+](=O)[O-] ZINC000345941167 272370915 /nfs/dbraw/zinc/37/09/15/272370915.db2.gz HCGPSMIGJLSEDO-UHFFFAOYSA-N 0 1 319.346 1.633 20 5 DDBDMN COC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000178682092 277569959 /nfs/dbraw/zinc/56/99/59/277569959.db2.gz WXBDTTJGAPALCH-CQSZACIVSA-N 0 1 308.334 1.976 20 5 DDBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286828723 278239728 /nfs/dbraw/zinc/23/97/28/278239728.db2.gz VTCCTCGWYOBRPW-QMMMGPOBSA-N 0 1 321.786 1.477 20 5 DDBDMN Cc1nnc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[nH]1 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1.308 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CN(C)C ZINC000286534212 280259328 /nfs/dbraw/zinc/25/93/28/280259328.db2.gz BTYNMPVXGIWMRL-VIFPVBQESA-N 0 1 301.368 1.132 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1 ZINC000450790740 295254392 /nfs/dbraw/zinc/25/43/92/295254392.db2.gz HAUTWCKEKMGCEL-TXEJJXNPSA-N 0 1 309.366 1.495 20 5 DDBDMN O=C(NCC1(CCO)CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356757501 298866229 /nfs/dbraw/zinc/86/62/29/298866229.db2.gz ANBPMCJIIZLNRY-UHFFFAOYSA-N 0 1 308.334 1.973 20 5 DDBDMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000362087694 300002808 /nfs/dbraw/zinc/00/28/08/300002808.db2.gz SHARMROKHCCQIN-LERXQTSPSA-N 0 1 315.333 1.452 20 5 DDBDMN C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000362100561 300005708 /nfs/dbraw/zinc/00/57/08/300005708.db2.gz XSZMJBSKTGDBPE-CMPLNLGQSA-N 0 1 318.333 1.705 20 5 DDBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370307765 301313786 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Cc1noc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc2)n1 ZINC000369002239 307114084 /nfs/dbraw/zinc/11/40/84/307114084.db2.gz MYNDZLBUMJVFGT-GRYCIOLGSA-N 0 1 302.290 1.249 20 5 DDBDMN Cc1cc(C)nc(C2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000369806088 307128217 /nfs/dbraw/zinc/12/82/17/307128217.db2.gz SILRVSUIMVWDCB-QWHCGFSZSA-N 0 1 304.350 1.465 20 5 DDBDMN CCc1nnc(-c2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2)o1 ZINC000369817719 307128720 /nfs/dbraw/zinc/12/87/20/307128720.db2.gz PCKBMWIFVCHKPE-QWRGUYRKSA-N 0 1 302.290 1.903 20 5 DDBDMN COc1cccc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)c1 ZINC000370732221 307134464 /nfs/dbraw/zinc/13/44/64/307134464.db2.gz HSPZCZRSIRVESB-MJBXVCDLSA-N 0 1 306.318 1.260 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(O)(C2CC2)C1 ZINC000372693261 307173417 /nfs/dbraw/zinc/17/34/17/307173417.db2.gz VVZFGHROLYDWNZ-UHFFFAOYSA-N 0 1 302.290 1.068 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@](O)(C2CC2)C1 ZINC000373358939 307185320 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DDBDMN CCN1CCN(CC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452185044 529138271 /nfs/dbraw/zinc/13/82/71/529138271.db2.gz XGSUYZIFQNHYMG-ZDUSSCGKSA-N 0 1 320.393 1.410 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)ccc1Cn1cnc(-c2nn[nH]n2)n1 ZINC000738361708 599159806 /nfs/dbraw/zinc/15/98/06/599159806.db2.gz YYFWDSNTBQQSNJ-UHFFFAOYSA-N 0 1 306.673 1.068 20 5 DDBDMN Cc1cc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000818801299 597453935 /nfs/dbraw/zinc/45/39/35/597453935.db2.gz PPODKDASMDIKHW-LBPRGKRZSA-N 0 1 322.317 1.609 20 5 DDBDMN COCC[N@H+](CCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000737794625 600641886 /nfs/dbraw/zinc/64/18/86/600641886.db2.gz QGXFERZWIYYJBP-UHFFFAOYSA-N 0 1 300.286 1.657 20 5 DDBDMN COCC[N@@H+](CCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000737794625 600641887 /nfs/dbraw/zinc/64/18/87/600641887.db2.gz QGXFERZWIYYJBP-UHFFFAOYSA-N 0 1 300.286 1.657 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000826022197 601952702 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DDBDMN COc1cc(C(=O)NCCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000317474114 354511242 /nfs/dbraw/zinc/51/12/42/354511242.db2.gz BRPFYYWILKVVOG-UHFFFAOYSA-N 0 1 305.294 1.084 20 5 DDBDMN O=C(N[C@@H]1COc2c1cccc2Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000371303767 307146968 /nfs/dbraw/zinc/14/69/68/307146968.db2.gz PTLIAAXVZRNWBY-MRVPVSSYSA-N 0 1 308.681 1.835 20 5 DDBDMN CSc1ccc(C(=O)Nc2n[nH]c3ncnn23)cc1[N+](=O)[O-] ZINC000590378079 355078195 /nfs/dbraw/zinc/07/81/95/355078195.db2.gz ZJPALCSBTWYMNZ-UHFFFAOYSA-N 0 1 319.306 1.335 20 5 DDBDMN CC(C)OCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591760491 355379468 /nfs/dbraw/zinc/37/94/68/355379468.db2.gz MHEOEBRGEZLASQ-UHFFFAOYSA-N 0 1 316.379 1.383 20 5 DDBDMN [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000592336838 355561768 /nfs/dbraw/zinc/56/17/68/355561768.db2.gz NJBXJIKZRRGQCL-MGCOHNPYSA-N 0 1 308.338 1.190 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)OC3(CCC3)C2)c1[N+](=O)[O-] ZINC000592903053 355735255 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C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339191821 291130281 /nfs/dbraw/zinc/13/02/81/291130281.db2.gz ASNIXAZYIOXFNM-JSGCOSHPSA-N 0 1 321.377 1.595 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n[nH]1 ZINC000348022440 283340000 /nfs/dbraw/zinc/34/00/00/283340000.db2.gz RNZLWXFYTVKNEC-SSDOTTSWSA-N 0 1 306.326 1.029 20 5 DDBDMN CC(C)CC[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600307108 358191124 /nfs/dbraw/zinc/19/11/24/358191124.db2.gz NWVFZLCQWIKVQR-JTQLQIEISA-N 0 1 320.349 1.998 20 5 DDBDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000600700963 358287002 /nfs/dbraw/zinc/28/70/02/358287002.db2.gz OTBOUIPWLZBARP-YPMHNXCESA-N 0 1 322.365 1.975 20 5 DDBDMN NC(=O)c1ccc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264896335 283378777 /nfs/dbraw/zinc/37/87/77/283378777.db2.gz AQKTUIKBQLLURY-UHFFFAOYSA-N 0 1 304.350 1.368 20 5 DDBDMN C[C@H](CC(N)=O)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569166 359048618 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ZINC000597925917 357385361 /nfs/dbraw/zinc/38/53/61/357385361.db2.gz YEQHDPLILCGKNW-SNVBAGLBSA-N 0 1 308.338 1.298 20 5 DDBDMN COCc1nc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000598049278 357443363 /nfs/dbraw/zinc/44/33/63/357443363.db2.gz HTMWGOFKPZXMAN-UHFFFAOYSA-N 0 1 319.321 1.027 20 5 DDBDMN COCc1nnc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000598049278 357443364 /nfs/dbraw/zinc/44/33/64/357443364.db2.gz HTMWGOFKPZXMAN-UHFFFAOYSA-N 0 1 319.321 1.027 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C)[C@H]2CCO)c1[N+](=O)[O-] ZINC000598067377 357454188 /nfs/dbraw/zinc/45/41/88/357454188.db2.gz JWAMLFVHSBRVTI-GXSJLCMTSA-N 0 1 310.354 1.503 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598440853 357580191 /nfs/dbraw/zinc/58/01/91/357580191.db2.gz KZRZWCGEZPGRLY-YMTOWFKASA-N 0 1 310.354 1.532 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2Cc3cnn(C)c3C2)c1[N+](=O)[O-] ZINC000598936762 357763627 /nfs/dbraw/zinc/76/36/27/357763627.db2.gz RZRYBMJWGVJYSI-UHFFFAOYSA-N 0 1 304.310 1.160 20 5 DDBDMN C[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599228291 357856124 /nfs/dbraw/zinc/85/61/24/357856124.db2.gz CJYOOCJMWDMFTE-KYZUINATSA-N 0 1 302.356 1.185 20 5 DDBDMN C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599234445 357857505 /nfs/dbraw/zinc/85/75/05/357857505.db2.gz DAXGVIAXJRKHLG-KXUCPTDWSA-N 0 1 316.383 1.431 20 5 DDBDMN CCCC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599257395 357865176 /nfs/dbraw/zinc/86/51/76/357865176.db2.gz LYRVONJYDLHTRM-UHFFFAOYSA-N 0 1 302.356 1.187 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC23CCCCC3)n1 ZINC000599272011 357870172 /nfs/dbraw/zinc/87/01/72/357870172.db2.gz GMQCZQUMUDNNGT-SNVBAGLBSA-N 0 1 314.367 1.329 20 5 DDBDMN C[C@H]1CC[C@H](CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599294310 357879678 /nfs/dbraw/zinc/87/96/78/357879678.db2.gz FWUHFTJGDLKOOL-IUCAKERBSA-N 0 1 302.356 1.043 20 5 DDBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c2c(c1)COCO2 ZINC000599680513 358022636 /nfs/dbraw/zinc/02/26/36/358022636.db2.gz DMAGHPZHXICSHS-COLVAYQJSA-N 0 1 320.345 1.807 20 5 DDBDMN CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CCCN(C)C1 ZINC000601119850 358409894 /nfs/dbraw/zinc/40/98/94/358409894.db2.gz XQYMOFLRNWMYCT-QMMMGPOBSA-N 0 1 321.303 1.878 20 5 DDBDMN CN1CCC[C@@H]1C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601777815 358691413 /nfs/dbraw/zinc/69/14/13/358691413.db2.gz LMZMPZYIYWHGGL-HIFRSBDPSA-N 0 1 307.350 1.013 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1cccc(F)c1 ZINC000602805300 359203219 /nfs/dbraw/zinc/20/32/19/359203219.db2.gz JHRLJROMWZQMFQ-CYBMUJFWSA-N 0 1 308.313 1.562 20 5 DDBDMN Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000604227532 359728479 /nfs/dbraw/zinc/72/84/79/359728479.db2.gz NSABEUPHBJDGNU-LLVKDONJSA-N 0 1 320.349 1.052 20 5 DDBDMN Cc1c(NC(=O)C(=O)N[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000604227532 359728482 /nfs/dbraw/zinc/72/84/82/359728482.db2.gz NSABEUPHBJDGNU-LLVKDONJSA-N 0 1 320.349 1.052 20 5 DDBDMN Cc1cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1 ZINC000609594993 360330894 /nfs/dbraw/zinc/33/08/94/360330894.db2.gz KXNDWWNCJLRIKN-UHFFFAOYSA-N 0 1 318.289 1.328 20 5 DDBDMN CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCCN(C)C1 ZINC000610187912 360389522 /nfs/dbraw/zinc/38/95/22/360389522.db2.gz XBMCJZUORWAQMV-SNVBAGLBSA-N 0 1 321.333 1.490 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN(CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000611088490 360619573 /nfs/dbraw/zinc/61/95/73/360619573.db2.gz ZGJLAAPFXSAASL-SNVBAGLBSA-N 0 1 309.370 1.437 20 5 DDBDMN CN(Cc1nnc[nH]1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611272539 360687224 /nfs/dbraw/zinc/68/72/24/360687224.db2.gz UJXPMEUXDUTAGN-UHFFFAOYSA-N 0 1 305.294 1.116 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528148 360749153 /nfs/dbraw/zinc/74/91/53/360749153.db2.gz HSKNWXBCPKTFMS-LLVKDONJSA-N 0 1 322.365 1.018 20 5 DDBDMN Cc1ncc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000264744725 204122260 /nfs/dbraw/zinc/12/22/60/204122260.db2.gz RUYWCTDHKSTNMD-UHFFFAOYSA-N 0 1 315.333 1.589 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000282935184 217337156 /nfs/dbraw/zinc/33/71/56/217337156.db2.gz GDHBTDUKGXGNMN-GXSJLCMTSA-N 0 1 315.333 1.695 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000282935184 217337159 /nfs/dbraw/zinc/33/71/59/217337159.db2.gz GDHBTDUKGXGNMN-GXSJLCMTSA-N 0 1 315.333 1.695 20 5 DDBDMN O=[N+]([O-])c1cccc(N2CCN(CCC3OCCCO3)CC2)c1 ZINC000267977124 206371913 /nfs/dbraw/zinc/37/19/13/206371913.db2.gz XAOBNQNNUCKCIR-UHFFFAOYSA-N 0 1 321.377 1.870 20 5 DDBDMN COCCN(CCOC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046305462 248198286 /nfs/dbraw/zinc/19/82/86/248198286.db2.gz XKWGBAYDDYMZQU-UHFFFAOYSA-N 0 1 322.321 1.206 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273931279 211185988 /nfs/dbraw/zinc/18/59/88/211185988.db2.gz HZHFERYGZPXOLM-UHFFFAOYSA-N 0 1 321.312 1.788 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000285326943 218383107 /nfs/dbraw/zinc/38/31/07/218383107.db2.gz RWOZACUMANJVNN-CABCVRRESA-N 0 1 319.361 1.448 20 5 DDBDMN COC(=O)[C@H](CC(C)C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269155089 207281056 /nfs/dbraw/zinc/28/10/56/207281056.db2.gz ULTUHOUWDOWXPQ-LBPRGKRZSA-N 0 1 310.306 1.618 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)[C@H]1CCC[C@@H]1O ZINC000352659459 285203835 /nfs/dbraw/zinc/20/38/35/285203835.db2.gz JQPMKXHCGYSHGD-SWHYSGLUSA-N 0 1 307.350 1.767 20 5 DDBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155319722 197043825 /nfs/dbraw/zinc/04/38/25/197043825.db2.gz DKHJMEZFAGKRKW-CHWSQXEVSA-N 0 1 320.393 1.948 20 5 DDBDMN O=C(NC[C@H]1CCC[C@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360647600 299712942 /nfs/dbraw/zinc/71/29/42/299712942.db2.gz GMLRLDUBLIGSGN-QWRGUYRKSA-N 0 1 308.334 1.829 20 5 DDBDMN CC1(C)[C@@H](O)C[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000569544254 304361115 /nfs/dbraw/zinc/36/11/15/304361115.db2.gz SCIKBNCVFSMJHG-STQMWFEESA-N 0 1 308.334 1.710 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000050964926 407132891 /nfs/dbraw/zinc/13/28/91/407132891.db2.gz NXBQTDPVMFZCIU-ZDUSSCGKSA-N 0 1 319.361 1.389 20 5 DDBDMN Cc1nnc(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000053673698 407171935 /nfs/dbraw/zinc/17/19/35/407171935.db2.gz VVHLAJIUTBZRJU-MRVPVSSYSA-N 0 1 321.362 1.991 20 5 DDBDMN Cc1n[nH]c(SCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000053673698 407171938 /nfs/dbraw/zinc/17/19/38/407171938.db2.gz VVHLAJIUTBZRJU-MRVPVSSYSA-N 0 1 321.362 1.991 20 5 DDBDMN CN(C[C@@H]1CCCOC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000107646051 407377356 /nfs/dbraw/zinc/37/73/56/407377356.db2.gz MPDUALALSDQQCA-JTQLQIEISA-N 0 1 318.333 1.970 20 5 DDBDMN CC(C)CNC(=O)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426861 407889732 /nfs/dbraw/zinc/88/97/32/407889732.db2.gz SHCIRDNRSPZXPR-NSHDSACASA-N 0 1 322.365 1.727 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000262650836 407891605 /nfs/dbraw/zinc/89/16/05/407891605.db2.gz LHTXVJTWFHOEFZ-ZWNOBZJWSA-N 0 1 319.317 1.107 20 5 DDBDMN COc1cc(CN[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272384978 407894705 /nfs/dbraw/zinc/89/47/05/407894705.db2.gz IFYLXOOKZYIMJF-QMMMGPOBSA-N 0 1 320.292 1.718 20 5 DDBDMN CCN(Cc1cnn(C)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272544930 407975459 /nfs/dbraw/zinc/97/54/59/407975459.db2.gz JZWORIAKOSNXPT-UHFFFAOYSA-N 0 1 304.306 1.696 20 5 DDBDMN Cc1nn(CCC(=O)N2C[C@@H](C)N[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000154242803 408002953 /nfs/dbraw/zinc/00/29/53/408002953.db2.gz DYYGNPWHRFYZHN-AOOOYVTPSA-N 0 1 309.370 1.007 20 5 DDBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1nn[n-]n1 ZINC000136697824 408120463 /nfs/dbraw/zinc/12/04/63/408120463.db2.gz XRCOSCITOITRPS-SNVBAGLBSA-N 0 1 305.298 1.083 20 5 DDBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1C)c1nn[nH]n1 ZINC000136697824 408120468 /nfs/dbraw/zinc/12/04/68/408120468.db2.gz XRCOSCITOITRPS-SNVBAGLBSA-N 0 1 305.298 1.083 20 5 DDBDMN O=C(NC[C@@H](O)CCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000273274961 408134108 /nfs/dbraw/zinc/13/41/08/408134108.db2.gz QNWJQRPBNTUIFN-NSHDSACASA-N 0 1 304.306 1.041 20 5 DDBDMN C[C@H]1OCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121459192 408217769 /nfs/dbraw/zinc/21/77/69/408217769.db2.gz UOMOAHOXTUCHJK-APPZFPTMSA-N 0 1 304.299 1.190 20 5 DDBDMN C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190365696 408228818 /nfs/dbraw/zinc/22/88/18/408228818.db2.gz IXZDEASTPPHPHQ-SMDDNHRTSA-N 0 1 307.350 1.260 20 5 DDBDMN CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151202718 408274339 /nfs/dbraw/zinc/27/43/39/408274339.db2.gz BKBXLAJITTYLKI-LLVKDONJSA-N 0 1 309.370 1.079 20 5 DDBDMN COc1ccc(CN2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000171149362 162206293 /nfs/dbraw/zinc/20/62/93/162206293.db2.gz RVLAJZXIOCVNPZ-UHFFFAOYSA-N 0 1 323.393 1.492 20 5 DDBDMN COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)ccc1[N+](=O)[O-] ZINC000160679457 408513053 /nfs/dbraw/zinc/51/30/53/408513053.db2.gz IPNFDIQDVAZPQP-TXEJJXNPSA-N 0 1 305.334 1.570 20 5 DDBDMN CCc1nc([C@H](C)Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])n[nH]1 ZINC000270724162 408652725 /nfs/dbraw/zinc/65/27/25/408652725.db2.gz PBJRHTXBUDWFOR-QMMMGPOBSA-N 0 1 318.337 1.808 20 5 DDBDMN O=C1CCCN1[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000270872993 408719211 /nfs/dbraw/zinc/71/92/11/408719211.db2.gz JLEMJKCGSARHGN-CYBMUJFWSA-N 0 1 319.361 1.670 20 5 DDBDMN Cc1nccn1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000270805589 408688209 /nfs/dbraw/zinc/68/82/09/408688209.db2.gz GGMUYYHPQGLAJA-UHFFFAOYSA-N 0 1 315.377 1.922 20 5 DDBDMN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157000 408807465 /nfs/dbraw/zinc/80/74/65/408807465.db2.gz FNDACBRCNFJHLN-WFASDCNBSA-N 0 1 321.377 1.883 20 5 DDBDMN CCc1nc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000185182614 408777086 /nfs/dbraw/zinc/77/70/86/408777086.db2.gz UERLATNUNXGDRX-UHFFFAOYSA-N 0 1 316.365 1.598 20 5 DDBDMN COCCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195196193 408815478 /nfs/dbraw/zinc/81/54/78/408815478.db2.gz WWZSJJVZMJATNB-UHFFFAOYSA-N 0 1 309.366 1.238 20 5 DDBDMN C[C@@H](CN(C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000168940017 408819051 /nfs/dbraw/zinc/81/90/51/408819051.db2.gz JRQZXXLIIDIWBV-VIFPVBQESA-N 0 1 301.368 1.360 20 5 DDBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280865503 408848841 /nfs/dbraw/zinc/84/88/41/408848841.db2.gz DSTRVFWHOLWLGO-JTQLQIEISA-N 0 1 305.334 1.515 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285767960 408860194 /nfs/dbraw/zinc/86/01/94/408860194.db2.gz ZWVCYQSYRKDWIE-LLVKDONJSA-N 0 1 322.287 1.571 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000281965608 408962813 /nfs/dbraw/zinc/96/28/13/408962813.db2.gz IVOPFQVAAOFAGE-LLVKDONJSA-N 0 1 318.337 1.727 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](OCc3ccncc3)C2)c1 ZINC000287726290 409083316 /nfs/dbraw/zinc/08/33/16/409083316.db2.gz KJHLIVVVWZCAFS-HNNXBMFYSA-N 0 1 317.349 1.477 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[N+](=O)[O-] ZINC000279254327 409179111 /nfs/dbraw/zinc/17/91/11/409179111.db2.gz ICNAKNGHZBWBDD-QEVYDEPDSA-N 0 1 324.337 1.035 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000344998584 409590739 /nfs/dbraw/zinc/59/07/39/409590739.db2.gz JOHHYWKYJHAVOG-PJLCYMMNSA-N 0 1 322.346 1.546 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331536068 409611042 /nfs/dbraw/zinc/61/10/42/409611042.db2.gz PWWSKSKGHUIPHR-JTQLQIEISA-N 0 1 305.334 1.570 20 5 DDBDMN O=C(NCc1cccc(CO)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356994821 409775934 /nfs/dbraw/zinc/77/59/34/409775934.db2.gz FIGIYUUIKHYMBC-UHFFFAOYSA-N 0 1 302.286 1.723 20 5 DDBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[S@]1=O ZINC000352305052 410612016 /nfs/dbraw/zinc/61/20/16/410612016.db2.gz IRPIVFPMAKLCPH-QSIZCVBASA-N 0 1 322.346 1.064 20 5 DDBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)N(C)C1 ZINC000330515443 410743525 /nfs/dbraw/zinc/74/35/25/410743525.db2.gz FKGTWVYANKUJCM-STQMWFEESA-N 0 1 322.365 1.089 20 5 DDBDMN CC[N@H+]1CCC[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000359479022 410683104 /nfs/dbraw/zinc/68/31/04/410683104.db2.gz HYGBLYJDWXJYMD-GFCCVEGCSA-N 0 1 317.349 2.541 20 5 DDBDMN O=C(NC1(c2nn[nH]n2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000348298927 410907468 /nfs/dbraw/zinc/90/74/68/410907468.db2.gz UPIMCNQRQMQRCI-UHFFFAOYSA-N 0 1 308.685 1.180 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2cccn2)C1 ZINC000356502316 411060296 /nfs/dbraw/zinc/06/02/96/411060296.db2.gz CNLBFMPIICYLCM-GFCCVEGCSA-N 0 1 316.317 1.974 20 5 DDBDMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000579967328 422867656 /nfs/dbraw/zinc/86/76/56/422867656.db2.gz DAHSBSUHRHTYRJ-HNNXBMFYSA-N 0 1 324.333 1.397 20 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DDBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN[C@H](C)C1 ZINC000415667381 420142500 /nfs/dbraw/zinc/14/25/00/420142500.db2.gz YFCQMGGTEJEYJG-SNVBAGLBSA-N 0 1 308.338 1.819 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(CCO)[C@@H](C)C1 ZINC000430220352 420091932 /nfs/dbraw/zinc/09/19/32/420091932.db2.gz PONVLIBKROVKEB-LBPRGKRZSA-N 0 1 309.366 1.102 20 5 DDBDMN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420433280 420282226 /nfs/dbraw/zinc/28/22/26/420282226.db2.gz CMZBIWRMSKSDNY-MRVPVSSYSA-N 0 1 321.786 1.654 20 5 DDBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416296424 420312563 /nfs/dbraw/zinc/31/25/63/420312563.db2.gz NVKSLGUSTQTOLW-QWHCGFSZSA-N 0 1 321.377 1.051 20 5 DDBDMN C[C@H]1CN(CCO)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000450950243 420569026 /nfs/dbraw/zinc/56/90/26/420569026.db2.gz CHNONMDLMHPDDN-VIFPVBQESA-N 0 1 323.378 1.102 20 5 DDBDMN CC(C)C[C@@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440411658 420574663 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CCc1[nH]nc(C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1[N+](=O)[O-] ZINC000456429861 421166116 /nfs/dbraw/zinc/16/61/16/421166116.db2.gz ZUOOJOTZDKSBSU-VWYCJHECSA-N 0 1 322.365 1.503 20 5 DDBDMN C[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000560002324 421232726 /nfs/dbraw/zinc/23/27/26/421232726.db2.gz CLGXWSIKABQEAG-HZMBPMFUSA-N 0 1 312.391 1.995 20 5 DDBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCSCC1 ZINC000491867603 421204440 /nfs/dbraw/zinc/20/44/40/421204440.db2.gz NIIYRKYFRRFZEZ-UTCJRWHESA-N 0 1 321.402 1.773 20 5 DDBDMN Nc1nccc(C(=O)N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000547731129 421360615 /nfs/dbraw/zinc/36/06/15/421360615.db2.gz DYQBCILTTPRQPI-UHFFFAOYSA-N 0 1 319.365 1.272 20 5 DDBDMN CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000548120731 421402712 /nfs/dbraw/zinc/40/27/12/421402712.db2.gz BWZRYPZICUVBCZ-NSHDSACASA-N 0 1 307.350 1.761 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)c2ccnc(NC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000566689356 421608236 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CC[N@H+]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000574404522 422105488 /nfs/dbraw/zinc/10/54/88/422105488.db2.gz VJKVDGHTCDKJPL-UHFFFAOYSA-N 0 1 308.338 1.528 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000583997225 422235983 /nfs/dbraw/zinc/23/59/83/422235983.db2.gz ZBUXCMCQNDNZFX-VHSXEESVSA-N 0 1 308.338 1.891 20 5 DDBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000584239709 422291525 /nfs/dbraw/zinc/29/15/25/422291525.db2.gz JPPKYBMCJRXAON-INIZCTEOSA-N 0 1 305.378 1.891 20 5 DDBDMN CCCN(C(=O)c1ccnc(NC)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000594373842 422347679 /nfs/dbraw/zinc/34/76/79/422347679.db2.gz INSAVPVLOLSJBK-NSHDSACASA-N 0 1 321.381 1.588 20 5 DDBDMN CCCc1n[nH]c(C(=O)N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000345282721 272208289 /nfs/dbraw/zinc/20/82/89/272208289.db2.gz GQZPHLHXPBGOES-UWVGGRQHSA-N 0 1 309.370 1.483 20 5 DDBDMN C[C@@H]1CC[S@](=O)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432474750 287812407 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O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2noc(C3CC3)n2)CC1 ZINC000376358765 302067746 /nfs/dbraw/zinc/06/77/46/302067746.db2.gz IHAPUOPFAUHFKC-WDEREUQCSA-N 0 1 306.322 1.318 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2noc(C3CC3)n2)CC1 ZINC000376358762 302067844 /nfs/dbraw/zinc/06/78/44/302067844.db2.gz IHAPUOPFAUHFKC-GHMZBOCLSA-N 0 1 306.322 1.318 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000377172928 302151339 /nfs/dbraw/zinc/15/13/39/302151339.db2.gz YRDCMZIJBYPQKA-UHFFFAOYSA-N 0 1 308.338 1.523 20 5 DDBDMN O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000378309821 302310607 /nfs/dbraw/zinc/31/06/07/302310607.db2.gz IOHWFWITZWHJEW-SNVBAGLBSA-N 0 1 316.317 1.370 20 5 DDBDMN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443063 302384981 /nfs/dbraw/zinc/38/49/81/302384981.db2.gz ABKCXAYLASLLTK-JGVFFNPUSA-N 0 1 305.381 1.062 20 5 DDBDMN O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356795012 306863799 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CC(=O)N1CC[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000371086372 307142513 /nfs/dbraw/zinc/14/25/13/307142513.db2.gz LHDYONCKLJPDPD-OBJOEFQTSA-N 0 1 303.318 1.266 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000371936612 307160605 /nfs/dbraw/zinc/16/06/05/307160605.db2.gz JAKKGKQNKXWDED-GXTWGEPZSA-N 0 1 302.330 1.700 20 5 DDBDMN COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000566731964 308062349 /nfs/dbraw/zinc/06/23/49/308062349.db2.gz UQKLHUILXNFELE-CYBMUJFWSA-N 0 1 321.377 1.699 20 5 DDBDMN Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566799200 308064122 /nfs/dbraw/zinc/06/41/22/308064122.db2.gz BQHVPWLCBZLROI-PHIMTYICSA-N 0 1 305.334 1.599 20 5 DDBDMN CNC(=O)CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000579430650 308530113 /nfs/dbraw/zinc/53/01/13/308530113.db2.gz PATFYSMCNGXZIM-UHFFFAOYSA-N 0 1 306.366 1.243 20 5 DDBDMN CC1(C)CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCN1 ZINC000580639009 308619493 /nfs/dbraw/zinc/61/94/93/308619493.db2.gz BATXLAWYAPJZKK-UHFFFAOYSA-N 0 1 307.306 1.148 20 5 DDBDMN Cc1ccc(CN2CCC3(COC(=O)N3)CC2)cc1[N+](=O)[O-] ZINC000495048061 533919744 /nfs/dbraw/zinc/91/97/44/533919744.db2.gz MTLHPRJCNRZHRQ-UHFFFAOYSA-N 0 1 305.334 1.978 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCOC1 ZINC000299430702 534886607 /nfs/dbraw/zinc/88/66/07/534886607.db2.gz UYXQTHILHAODEF-MRVPVSSYSA-N 0 1 304.299 1.049 20 5 DDBDMN CC(C)(C)c1nc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000458033757 526843377 /nfs/dbraw/zinc/84/33/77/526843377.db2.gz MANXXPDXNCHZSO-UHFFFAOYSA-N 0 1 317.349 1.869 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000433847526 527999549 /nfs/dbraw/zinc/99/95/49/527999549.db2.gz RLIPBCYMNZPHCP-IUCAKERBSA-N 0 1 323.353 1.167 20 5 DDBDMN CCNC(=O)C(C)(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457307035 528034556 /nfs/dbraw/zinc/03/45/56/528034556.db2.gz VDSNBISUFKRPQQ-UHFFFAOYSA-N 0 1 319.321 1.116 20 5 DDBDMN Cc1nn(C[NH+]2CCC(CCC(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000833017030 601798471 /nfs/dbraw/zinc/79/84/71/601798471.db2.gz RZRGWDPXGWCYFH-UHFFFAOYSA-N 0 1 310.354 1.942 20 5 DDBDMN O=C([O-])NC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834225014 605817532 /nfs/dbraw/zinc/81/75/32/605817532.db2.gz MMSCIRPUTLEYCJ-GXFFZTMASA-N 0 1 309.322 1.218 20 5 DDBDMN CC(C)CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000054104975 696272699 /nfs/dbraw/zinc/27/26/99/696272699.db2.gz JKSXTNUKJLBFIT-UHFFFAOYSA-N 0 1 306.366 1.591 20 5 DDBDMN CC(C)N1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000747815152 700087575 /nfs/dbraw/zinc/08/75/75/700087575.db2.gz GIZBCLYQPFHWNH-UONOGXRCSA-N 0 1 307.350 1.227 20 5 DDBDMN C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]1 ZINC000235671090 697794179 /nfs/dbraw/zinc/79/41/79/697794179.db2.gz JFFYUFIRNHYFPD-DTWKUNHWSA-N 0 1 317.342 1.153 20 5 DDBDMN CC[C@H](CO)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589156 698123003 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O=[N+]([O-])c1cc(S(=O)(=O)NCC(F)(F)C(F)F)cs1 ZINC000792662665 699706662 /nfs/dbraw/zinc/70/66/62/699706662.db2.gz XHJGHAHUENBYQD-UHFFFAOYSA-N 0 1 322.261 1.835 20 5 DDBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000795333198 699859056 /nfs/dbraw/zinc/85/90/56/699859056.db2.gz JNPWTKCVNHKGRC-UHFFFAOYSA-N 0 1 321.249 1.595 20 5 DDBDMN COC(=O)CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839681635 701781518 /nfs/dbraw/zinc/78/15/18/701781518.db2.gz WYWXQZBMIYZPGU-CHWSQXEVSA-N 0 1 322.317 1.622 20 5 DDBDMN C[S@](=O)Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000839683928 701782869 /nfs/dbraw/zinc/78/28/69/701782869.db2.gz RNJIGHMHDYSXHU-MTTWPYTGSA-N 0 1 316.766 1.822 20 5 DDBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839687559 701784466 /nfs/dbraw/zinc/78/44/66/701784466.db2.gz CFCZYVNFWPYBSJ-CHWSQXEVSA-N 0 1 307.306 1.699 20 5 DDBDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697651 701788514 /nfs/dbraw/zinc/78/85/14/701788514.db2.gz YJUZIMFZEITVJD-KKCYSRDJSA-N 0 1 310.375 1.609 20 5 DDBDMN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839750076 701809481 /nfs/dbraw/zinc/80/94/81/701809481.db2.gz HWRMFCFYLMNXBX-AMDBMLIDSA-N 0 1 300.236 1.741 20 5 DDBDMN Cc1nc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])sc1Br ZINC000839780581 701824541 /nfs/dbraw/zinc/82/45/41/701824541.db2.gz BRUKDLQXVJITLH-PHDIDXHHSA-N 0 1 320.168 1.495 20 5 DDBDMN C[C@](N)(C(=O)NC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867984663 701874316 /nfs/dbraw/zinc/87/43/16/701874316.db2.gz MYWYKBUTQKZUJV-QWHCGFSZSA-N 0 1 313.304 1.930 20 5 DDBDMN COC[C@]1(C)CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000840104485 701970100 /nfs/dbraw/zinc/97/01/00/701970100.db2.gz MXELWQHNTFIAFV-OAHLLOKOSA-N 0 1 319.365 1.964 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)Cc1cccc(F)c1 ZINC000840672485 702196493 /nfs/dbraw/zinc/19/64/93/702196493.db2.gz RDJGATMNWJNJDX-OASPWFOLSA-N 0 1 324.308 1.381 20 5 DDBDMN O=C(NCC1CN(c2ncc([N+](=O)[O-])s2)C1)C(F)(F)F ZINC000866293745 706666990 /nfs/dbraw/zinc/66/69/90/706666990.db2.gz AXMLZXXEACPKNM-UHFFFAOYSA-N 0 1 310.257 1.166 20 5 DDBDMN Cc1nnsc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000813751158 702411321 /nfs/dbraw/zinc/41/13/21/702411321.db2.gz BSYGZLVIHXCTAQ-UHFFFAOYSA-N 0 1 320.377 1.295 20 5 DDBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CN1CCO ZINC000842046639 702663431 /nfs/dbraw/zinc/66/34/31/702663431.db2.gz FTNOBBLOPYTYCA-UWVGGRQHSA-N 0 1 321.337 1.022 20 5 DDBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000843937144 702942824 /nfs/dbraw/zinc/94/28/24/702942824.db2.gz XOEFWIBKETXXIH-WISYIIOYSA-N 0 1 312.366 1.478 20 5 DDBDMN CN1CCN(Cn2cc([N+](=O)[O-])cn2)[C@@H](Cc2ccccc2)C1 ZINC000844740157 703066601 /nfs/dbraw/zinc/06/66/01/703066601.db2.gz INNXDEZEDNUMSC-HNNXBMFYSA-N 0 1 315.377 1.608 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000846608705 703303103 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20 5 DDBDMN CN(C)c1cccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819188926 704083782 /nfs/dbraw/zinc/08/37/82/704083782.db2.gz BSTMLJBRYIWHSD-OAHLLOKOSA-N 0 1 316.361 1.879 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CC[C@H]2O)c1 ZINC000819906632 704184776 /nfs/dbraw/zinc/18/47/76/704184776.db2.gz HSNDDZMOVWOWKJ-HTQZYQBOSA-N 0 1 324.717 1.189 20 5 DDBDMN CC(=O)c1ccc(N2CC[C@@H](c3nc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000819948676 704190997 /nfs/dbraw/zinc/19/09/97/704190997.db2.gz MMCDOTPZHDHONV-LLVKDONJSA-N 0 1 301.306 1.909 20 5 DDBDMN CN(C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853501844 704251749 /nfs/dbraw/zinc/25/17/49/704251749.db2.gz LOFQJDJTPMISRR-LBPRGKRZSA-N 0 1 317.349 1.779 20 5 DDBDMN CC(=O)NC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000860176336 705123352 /nfs/dbraw/zinc/12/33/52/705123352.db2.gz CWPPCGXTUCIRBD-JKSUJKDBSA-N 0 1 321.377 1.619 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1Br ZINC000874635666 705123489 /nfs/dbraw/zinc/12/34/89/705123489.db2.gz QDULUDGANBMMKK-GTNGPMTGSA-N 0 1 314.139 1.687 20 5 DDBDMN C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000874829596 705188207 /nfs/dbraw/zinc/18/82/07/705188207.db2.gz MPNFDKCGXGVBQX-UONOGXRCSA-N 0 1 305.334 1.609 20 5 DDBDMN C[C@H]1CN(CCO)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825338834 705649488 /nfs/dbraw/zinc/64/94/88/705649488.db2.gz VEKDLSISGNKVHT-NSHDSACASA-N 0 1 313.785 1.747 20 5 DDBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827291835 705970057 /nfs/dbraw/zinc/97/00/57/705970057.db2.gz XHCAKBMPORNGPS-VXGBXAGGSA-N 0 1 305.334 1.467 20 5 DDBDMN C[N@H+]1CC[C@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827302699 705972158 /nfs/dbraw/zinc/97/21/58/705972158.db2.gz XCFPPVGHDJGRLB-IINYFYTJSA-N 0 1 305.334 1.467 20 5 DDBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](O)[C@@H](O)C2)o1 ZINC000877748515 706197740 /nfs/dbraw/zinc/19/77/40/706197740.db2.gz DHTBBFVJWPXXHM-CABCVRRESA-N 0 1 318.329 1.782 20 5 DDBDMN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829015417 706273633 /nfs/dbraw/zinc/27/36/33/706273633.db2.gz INIBNUVSZLCLKS-TXEJJXNPSA-N 0 1 319.365 1.134 20 5 DDBDMN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000829015417 706273636 /nfs/dbraw/zinc/27/36/36/706273636.db2.gz INIBNUVSZLCLKS-TXEJJXNPSA-N 0 1 319.365 1.134 20 5 DDBDMN O=C(OC[C@H]1CN(C2CCCCC2)C(=O)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000829278653 706312710 /nfs/dbraw/zinc/31/27/10/706312710.db2.gz NHTBXYGOQJYHCY-IJLUTSLNSA-N 0 1 312.322 1.348 20 5 DDBDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539153 706352722 /nfs/dbraw/zinc/35/27/22/706352722.db2.gz MXOCGPIHAFEPJC-HIFRSBDPSA-N 0 1 321.377 1.617 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CN(C(C)=O)C[C@@H]2C1 ZINC000880312618 706937950 /nfs/dbraw/zinc/93/79/50/706937950.db2.gz RLSRURLQPFRQII-OKILXGFUSA-N 0 1 319.361 1.514 20 5 DDBDMN O=C(Nc1ccccc1[C@H](O)c1ccccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000834836595 707134743 /nfs/dbraw/zinc/13/47/43/707134743.db2.gz MZAHIAAWLMPLEN-DFBGVHRSSA-N 0 1 313.313 1.767 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000836948106 707553139 /nfs/dbraw/zinc/55/31/39/707553139.db2.gz XYOZIVQWMZZCNK-GFCCVEGCSA-N 0 1 306.366 1.733 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000882484578 707655246 /nfs/dbraw/zinc/65/52/46/707655246.db2.gz HLJRZXVTMUKJNQ-NSHDSACASA-N 0 1 302.334 1.900 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C ZINC000873360995 707824618 /nfs/dbraw/zinc/82/46/18/707824618.db2.gz QOXJUIKWSRMXKM-TUAOUCFPSA-N 0 1 324.381 1.904 20 5 DDBDMN O=[N+]([O-])c1c(F)nccc1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897219639 708257233 /nfs/dbraw/zinc/25/72/33/708257233.db2.gz MFOKNTLWPWLAEH-MNOVXSKESA-N 0 1 310.329 1.164 20 5 DDBDMN O=[N+]([O-])c1ncccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000886220490 708717879 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DDBDMN CC[N@H+]1[C@H](C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000603145780 359434272 /nfs/dbraw/zinc/43/42/72/359434272.db2.gz POAGGNBRCMOASI-AOOOYVTPSA-N 0 1 308.338 1.250 20 5 DDBDMN C[C@H]1COCCN1C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000603401263 359617887 /nfs/dbraw/zinc/61/78/87/359617887.db2.gz KPMNSPJOJHQTOA-NSHDSACASA-N 0 1 324.356 1.818 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000603417408 359627021 /nfs/dbraw/zinc/62/70/21/359627021.db2.gz YWZCXFVUXJBQHM-KBPBESRZSA-N 0 1 313.361 1.791 20 5 DDBDMN C[C@@H](O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186963124 200038887 /nfs/dbraw/zinc/03/88/87/200038887.db2.gz UGLQOHGLRDBMOI-CHWSQXEVSA-N 0 1 321.377 1.051 20 5 DDBDMN C[C@@H](O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000189349296 200385685 /nfs/dbraw/zinc/38/56/85/200385685.db2.gz MCDVECOVRBUNRR-LLVKDONJSA-N 0 1 313.785 1.747 20 5 DDBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCOCC1 ZINC000609766439 360349705 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1.490 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419317803 533221343 /nfs/dbraw/zinc/22/13/43/533221343.db2.gz APMDUYWKCNIWBP-STQMWFEESA-N 0 1 323.393 1.490 20 5 DDBDMN C[C@@H](CC(C)(C)O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000295578492 533477751 /nfs/dbraw/zinc/47/77/51/533477751.db2.gz VKGMZPMNQMFHEE-QMMMGPOBSA-N 0 1 320.342 1.562 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000294835801 533662809 /nfs/dbraw/zinc/66/28/09/533662809.db2.gz MULGKVCJJNMPND-JSGCOSHPSA-N 0 1 306.322 1.410 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000568897700 304320577 /nfs/dbraw/zinc/32/05/77/304320577.db2.gz CSIDEBVWGQYKGG-QWHCGFSZSA-N 0 1 307.350 1.591 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000568897701 304320551 /nfs/dbraw/zinc/32/05/51/304320551.db2.gz CSIDEBVWGQYKGG-STQMWFEESA-N 0 1 307.350 1.591 20 5 DDBDMN C[C@@H](CC(=O)[O-])[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000569592750 304367355 /nfs/dbraw/zinc/36/73/55/304367355.db2.gz JHPHPXPEMQVADW-JQWIXIFHSA-N 0 1 312.322 1.130 20 5 DDBDMN COC(=O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000066832296 407260462 /nfs/dbraw/zinc/26/04/62/407260462.db2.gz DWCNBGDYVBCNCA-LBPRGKRZSA-N 0 1 308.334 1.859 20 5 DDBDMN CN(C)[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000122341900 407298835 /nfs/dbraw/zinc/29/88/35/407298835.db2.gz ANCFJHPGNSFOHC-JTQLQIEISA-N 0 1 313.379 1.139 20 5 DDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC[C@H]1C ZINC000125095146 407378428 /nfs/dbraw/zinc/37/84/28/407378428.db2.gz ANUZUVLFGFOMBW-MNOVXSKESA-N 0 1 309.391 1.896 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000185820261 407512399 /nfs/dbraw/zinc/51/23/99/407512399.db2.gz QTDXWVQKRDJVPU-WCBMZHEXSA-N 0 1 306.322 1.050 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000185820261 407512405 /nfs/dbraw/zinc/51/24/05/407512405.db2.gz QTDXWVQKRDJVPU-WCBMZHEXSA-N 0 1 306.322 1.050 20 5 DDBDMN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681762 407545104 /nfs/dbraw/zinc/54/51/04/407545104.db2.gz MSNIGJCLHUWQKQ-UWVGGRQHSA-N 0 1 308.338 1.398 20 5 DDBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000271262297 407603667 /nfs/dbraw/zinc/60/36/67/407603667.db2.gz MQRPVGGNBUXEPZ-BDAKNGLRSA-N 0 1 318.326 1.580 20 5 DDBDMN CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccnc1 ZINC000152445162 407637217 /nfs/dbraw/zinc/63/72/17/407637217.db2.gz BVQKLJYZJNUBHM-LLVKDONJSA-N 0 1 303.322 1.883 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)CCc2nccs2)c1[N+](=O)[O-] ZINC000179009586 407690841 /nfs/dbraw/zinc/69/08/41/407690841.db2.gz WOLUVPAZCMQLSJ-UHFFFAOYSA-N 0 1 309.351 1.652 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000272183045 407808587 /nfs/dbraw/zinc/80/85/87/407808587.db2.gz ISNPLCCUQBEHGP-GXSJLCMTSA-N 0 1 310.354 1.503 20 5 DDBDMN 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NZJGTOFKMPUWNL-SNVBAGLBSA-N 0 1 301.310 1.185 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCc3ccc(F)cc3C2)c1[N+](=O)[O-] ZINC000269498906 408331623 /nfs/dbraw/zinc/33/16/23/408331623.db2.gz DYCYOMHGCHNWDL-UHFFFAOYSA-N 0 1 304.281 1.964 20 5 DDBDMN CN1CCCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000264037778 408351970 /nfs/dbraw/zinc/35/19/70/408351970.db2.gz BFYGFRZCPLXPQT-UHFFFAOYSA-N 0 1 316.361 1.714 20 5 DDBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nn[nH]n1 ZINC000176759999 408435865 /nfs/dbraw/zinc/43/58/65/408435865.db2.gz FWHDYMHVOSLHEG-SNVBAGLBSA-N 0 1 304.310 1.688 20 5 DDBDMN Cc1cc(S(=O)(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000265186355 408573650 /nfs/dbraw/zinc/57/36/50/408573650.db2.gz GBDPJRBPPBUQKH-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270596331 408595634 /nfs/dbraw/zinc/59/56/34/408595634.db2.gz CEZKFNDOBXZEMK-SSDOTTSWSA-N 0 1 307.285 1.905 20 5 DDBDMN CN(Cc1nnc[nH]1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177154865 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Cn1ccnc1-c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000376812230 302106676 /nfs/dbraw/zinc/10/66/76/302106676.db2.gz VVIDOLKOWOHZCW-CHWSQXEVSA-N 0 1 300.318 1.369 20 5 DDBDMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377563188 302193204 /nfs/dbraw/zinc/19/32/04/302193204.db2.gz XAEUEFJGUBOAQY-KXUCPTDWSA-N 0 1 312.757 1.711 20 5 DDBDMN Cc1cn2c(n1)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000378306424 302309810 /nfs/dbraw/zinc/30/98/10/302309810.db2.gz OHJOKTQHXKNTOA-VIFPVBQESA-N 0 1 304.310 1.130 20 5 DDBDMN Cc1cn2c([nH+]1)[C@H](CNC(=O)c1[n-]ncc1[N+](=O)[O-])CCC2 ZINC000378306424 302309813 /nfs/dbraw/zinc/30/98/13/302309813.db2.gz OHJOKTQHXKNTOA-VIFPVBQESA-N 0 1 304.310 1.130 20 5 DDBDMN Cc1cc(N2CC[C@H](O)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000396825625 302349942 /nfs/dbraw/zinc/34/99/42/302349942.db2.gz BOZBDUUJFOXXOP-ZBEGNZNMSA-N 0 1 317.345 1.631 20 5 DDBDMN COC(=O)CCC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000531236587 303235720 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DDBDMN CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000377385574 307268777 /nfs/dbraw/zinc/26/87/77/307268777.db2.gz HSOCRSGNKZTBJI-AGIUHOORSA-N 0 1 306.366 1.835 20 5 DDBDMN C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000572169100 308214024 /nfs/dbraw/zinc/21/40/24/308214024.db2.gz ZVYBLEXZHOHLSF-LLVKDONJSA-N 0 1 312.322 1.130 20 5 DDBDMN O=C(NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226259611 490701655 /nfs/dbraw/zinc/70/16/55/490701655.db2.gz NWEQDQJWYZXPRU-UHFFFAOYSA-N 0 1 311.363 1.079 20 5 DDBDMN Cc1c(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425067895 533764660 /nfs/dbraw/zinc/76/46/60/533764660.db2.gz SGCGMQYOQGQFNA-SNVBAGLBSA-N 0 1 301.306 1.651 20 5 DDBDMN COc1cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419344559 533826898 /nfs/dbraw/zinc/82/68/98/533826898.db2.gz SAOSHEOHHYWYNH-OLZOCXBDSA-N 0 1 323.393 1.490 20 5 DDBDMN CC(C)(NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000492088544 527264575 /nfs/dbraw/zinc/26/45/75/527264575.db2.gz SXFFDTUQVQAGOS-XQRVVYSFSA-N 0 1 320.284 1.312 20 5 DDBDMN CCOc1cc(CN[C@@](C)(C(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000297627814 528283566 /nfs/dbraw/zinc/28/35/66/528283566.db2.gz LTDDIZSRPBCMAA-OAHLLOKOSA-N 0 1 309.366 1.983 20 5 DDBDMN CC(C)c1nc([C@H](C)NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000445133314 528313243 /nfs/dbraw/zinc/31/32/43/528313243.db2.gz GYHIRSARJBKPSJ-ZETCQYMHSA-N 0 1 320.309 1.428 20 5 DDBDMN CCOC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000452287808 528460975 /nfs/dbraw/zinc/46/09/75/528460975.db2.gz WBSZKMOHWKJUOA-UHFFFAOYSA-N 0 1 304.306 1.722 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000414024067 528544563 /nfs/dbraw/zinc/54/45/63/528544563.db2.gz CWLMECFPDSUFPX-VHSXEESVSA-N 0 1 310.354 1.503 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000821217287 597465159 /nfs/dbraw/zinc/46/51/59/597465159.db2.gz VXRVGLNXHFTEBL-SNVBAGLBSA-N 0 1 304.306 1.617 20 5 DDBDMN O=C([O-])[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000821510879 598172404 /nfs/dbraw/zinc/17/24/04/598172404.db2.gz MUFNEZOGFCQGAP-QMMMGPOBSA-N 0 1 324.724 1.962 20 5 DDBDMN O=C([O-])[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000821510879 598172405 /nfs/dbraw/zinc/17/24/05/598172405.db2.gz MUFNEZOGFCQGAP-QMMMGPOBSA-N 0 1 324.724 1.962 20 5 DDBDMN CC(C)[N@@H+](CCC(=O)NCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000736463614 600292354 /nfs/dbraw/zinc/29/23/54/600292354.db2.gz SFCGGQYQPSXSAW-UHFFFAOYSA-N 0 1 323.349 1.396 20 5 DDBDMN C[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736760798 600929312 /nfs/dbraw/zinc/92/93/12/600929312.db2.gz MYBPEUAFJXNWLJ-BXKDBHETSA-N 0 1 321.333 1.506 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425039 601501351 /nfs/dbraw/zinc/50/13/51/601501351.db2.gz WLEATDHJCVLURK-MXWKQRLJSA-N 0 1 321.333 1.574 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000826021294 601919276 /nfs/dbraw/zinc/91/92/76/601919276.db2.gz PLXYXTSLZBTFEA-MEBBXXQBSA-N 0 1 321.333 1.718 20 5 DDBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000828028777 601931686 /nfs/dbraw/zinc/93/16/86/601931686.db2.gz BNMHPGGXIBBNDV-HNNXBMFYSA-N 0 1 322.317 1.758 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000832958740 601932968 /nfs/dbraw/zinc/93/29/68/601932968.db2.gz QDJPTQJBHMPTOC-OAHLLOKOSA-N 0 1 321.333 1.638 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CNC(=O)[O-] ZINC000825924488 603710498 /nfs/dbraw/zinc/71/04/98/603710498.db2.gz INRWNVZSFKVBHC-JQWIXIFHSA-N 0 1 311.342 1.159 20 5 DDBDMN O=C([O-])N[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000740597435 604367304 /nfs/dbraw/zinc/36/73/04/604367304.db2.gz ZMQOXBWZKNKJCN-LLVKDONJSA-N 0 1 309.322 1.706 20 5 DDBDMN O=C([O-])NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834220694 605817481 /nfs/dbraw/zinc/81/74/81/605817481.db2.gz QMVAXNUHMVIEOT-UONOGXRCSA-N 0 1 323.349 1.750 20 5 DDBDMN Cc1nn(C[N@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000833921921 605957673 /nfs/dbraw/zinc/95/76/73/605957673.db2.gz MNWGNUNKZZUKNI-GZMMTYOYSA-N 0 1 311.342 1.344 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000833921921 605957676 /nfs/dbraw/zinc/95/76/76/605957676.db2.gz MNWGNUNKZZUKNI-GZMMTYOYSA-N 0 1 311.342 1.344 20 5 DDBDMN C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000824994181 608554791 /nfs/dbraw/zinc/55/47/91/608554791.db2.gz UBYRWGVADQRACN-UWVGGRQHSA-N 0 1 317.353 1.304 20 5 DDBDMN CC[N@@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000119693099 696683803 /nfs/dbraw/zinc/68/38/03/696683803.db2.gz CFJVFBZBBWPZAY-UHFFFAOYSA-N 0 1 319.408 1.419 20 5 DDBDMN CCN(CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000119693099 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DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329726 699206057 /nfs/dbraw/zinc/20/60/57/699206057.db2.gz DEYFIXNZNRPAFU-NGFQHRJXSA-N 0 1 319.361 1.214 20 5 DDBDMN O=C1C[C@]2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000788381824 699310355 /nfs/dbraw/zinc/31/03/55/699310355.db2.gz IFTHJMYXEBRBSU-OAHLLOKOSA-N 0 1 315.333 1.114 20 5 DDBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[nH]1 ZINC000733285759 699586441 /nfs/dbraw/zinc/58/64/41/699586441.db2.gz ILWFTMFBWMBFSG-UHFFFAOYSA-N 0 1 303.322 1.622 20 5 DDBDMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CC[N+](=O)[O-])CC1 ZINC000791054179 699608953 /nfs/dbraw/zinc/60/89/53/699608953.db2.gz YIFWYRHELRPCFA-NSHDSACASA-N 0 1 301.387 1.888 20 5 DDBDMN CCCc1[nH]nc(C(=O)OCc2nc(C(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000795578622 699876617 /nfs/dbraw/zinc/87/66/17/699876617.db2.gz VLYXYLXLPXEZOQ-UHFFFAOYSA-N 0 1 322.325 1.869 20 5 DDBDMN CCCc1[nH]nc(C(=O)OCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000795578622 699876619 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DDBDMN COc1cc(C)nc(-n2[n-]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001159293885 865206013 /nfs/dbraw/zinc/20/60/13/865206013.db2.gz RXFYZLSXRIYTLA-UHFFFAOYSA-N 0 1 307.310 1.008 20 5 DDBDMN CCOc1nc(-n2[n-]c(=O)c(CC[NH3+])c2C)ccc1[N+](=O)[O-] ZINC001159300002 865210011 /nfs/dbraw/zinc/21/00/11/865210011.db2.gz KLLCAGQDXOVPGW-UHFFFAOYSA-N 0 1 307.310 1.089 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001332724961 866099581 /nfs/dbraw/zinc/09/95/81/866099581.db2.gz ZMKNQFAZSDCNKI-DZGCQCFKSA-N 0 1 324.333 1.051 20 5 DDBDMN CC(C)[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])N1CCCC1 ZINC001333346701 866656692 /nfs/dbraw/zinc/65/66/92/866656692.db2.gz MGRYXXRLVMAXTR-GFCCVEGCSA-N 0 1 310.354 1.492 20 5 DDBDMN Cc1nnc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1C ZINC001321282526 867459722 /nfs/dbraw/zinc/45/97/22/867459722.db2.gz KFJMGKGBHCNKEN-RYUDHWBXSA-N 0 1 319.369 1.502 20 5 DDBDMN CCOC(=O)c1c(CN)ncn1-c1nc(C)ccc1[N+](=O)[O-] ZINC001162537526 867617557 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COC(=O)c1cccc(O[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001227891589 883217228 /nfs/dbraw/zinc/21/72/28/883217228.db2.gz CMMJJQNASPMBBO-ZDUSSCGKSA-N 0 1 306.318 1.854 20 5 DDBDMN CC(C)(C)N1CC(Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602895 883568044 /nfs/dbraw/zinc/56/80/44/883568044.db2.gz GXSKMIKHFWPVMT-UHFFFAOYSA-N 0 1 308.338 1.829 20 5 DDBDMN COc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001229137961 883839147 /nfs/dbraw/zinc/83/91/47/883839147.db2.gz QXMOEGBEQKXMEZ-LBPRGKRZSA-N 0 1 305.290 1.778 20 5 DDBDMN C[N@H+]1CCC[C@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])CC1 ZINC001231072091 885185548 /nfs/dbraw/zinc/18/55/48/885185548.db2.gz ROZQULRTHLFCKS-ZETCQYMHSA-N 0 1 302.718 1.607 20 5 DDBDMN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)c1 ZINC001234408463 887946746 /nfs/dbraw/zinc/94/67/46/887946746.db2.gz MSBUGPKDTXEPGK-GFCCVEGCSA-N 0 1 308.334 1.783 20 5 DDBDMN COC(=O)[C@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001254563641 896502986 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20 5 DDBDMN CC[C@]1(O)CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000495197631 529444570 /nfs/dbraw/zinc/44/45/70/529444570.db2.gz YJPOVWAXXCQHNF-ZBFHGGJFSA-N 0 1 319.361 1.547 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000331378739 529465576 /nfs/dbraw/zinc/46/55/76/529465576.db2.gz FMLMZFZLFFJROB-YUSALJHKSA-N 0 1 322.365 1.646 20 5 DDBDMN Cc1c(C(=O)NC[C@@H]2CCCCN2CCO)cccc1[N+](=O)[O-] ZINC000452391798 231375366 /nfs/dbraw/zinc/37/53/66/231375366.db2.gz QKEFCNSDQXJTLT-ZDUSSCGKSA-N 0 1 321.377 1.480 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1[N+](=O)[O-] ZINC000264711557 282297784 /nfs/dbraw/zinc/29/77/84/282297784.db2.gz ZDBPEHZCYSRHPX-SECBINFHSA-N 0 1 318.337 1.623 20 5 DDBDMN CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830067 199358431 /nfs/dbraw/zinc/35/84/31/199358431.db2.gz HIDWHYGGLLADSB-JTQLQIEISA-N 0 1 308.338 1.400 20 5 DDBDMN CCN1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000048418569 352538422 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CCOC(=O)C1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000315391158 354493328 /nfs/dbraw/zinc/49/33/28/354493328.db2.gz IOFRYGSYCDAXBA-UHFFFAOYSA-N 0 1 310.354 1.375 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000588838645 354941245 /nfs/dbraw/zinc/94/12/45/354941245.db2.gz XHSOQWCGNKXCOZ-RYUDHWBXSA-N 0 1 309.370 1.029 20 5 DDBDMN CCc1ccc(C(=O)N(C)Cc2n[nH]c(=O)o2)cc1[N+](=O)[O-] ZINC000588849385 354942472 /nfs/dbraw/zinc/94/24/72/354942472.db2.gz ZOMZCRCARRQHNW-UHFFFAOYSA-N 0 1 306.278 1.518 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCOC1 ZINC000494946034 235105884 /nfs/dbraw/zinc/10/58/84/235105884.db2.gz HFSZKYQSPVZLLK-LBPRGKRZSA-N 0 1 307.350 1.810 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3OCC[C@@H]3C1)OCCO2 ZINC000592520435 355611084 /nfs/dbraw/zinc/61/10/84/355611084.db2.gz MWCITIGWQHCEGE-RISCZKNCSA-N 0 1 320.345 1.977 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]nc(-c3nc([C@@H]4CCCN4)no3)c2c1 ZINC000592356639 355565669 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CCCc1[nH]nc(C(=O)N2CC[C@H](COCC)C2)c1[N+](=O)[O-] ZINC000081426861 192262357 /nfs/dbraw/zinc/26/23/57/192262357.db2.gz ZVYKUMCYKCHGDF-JTQLQIEISA-N 0 1 310.354 1.769 20 5 DDBDMN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3onc(C)c3[N+](=O)[O-])[C@@H]2C1 ZINC000595489277 356514698 /nfs/dbraw/zinc/51/46/98/356514698.db2.gz LQCWKDHTAMQVLL-YNEHKIRRSA-N 0 1 322.365 1.628 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2noc(CN[C@H](CO)C3CCC3)n2)cc1 ZINC000595615491 356577862 /nfs/dbraw/zinc/57/78/62/356577862.db2.gz HOMRRJRIWGJKPL-CYBMUJFWSA-N 0 1 318.333 1.895 20 5 DDBDMN COCc1nc(CNc2ncnc3sc([N+](=O)[O-])cc32)n[nH]1 ZINC000596435113 356880575 /nfs/dbraw/zinc/88/05/75/356880575.db2.gz AZHKGFIEJRBUEN-UHFFFAOYSA-N 0 1 321.322 1.476 20 5 DDBDMN COCc1nnc(CNc2ncnc3sc([N+](=O)[O-])cc32)[nH]1 ZINC000596435113 356880576 /nfs/dbraw/zinc/88/05/76/356880576.db2.gz AZHKGFIEJRBUEN-UHFFFAOYSA-N 0 1 321.322 1.476 20 5 DDBDMN CC(C)NC(=O)c1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC000596453018 356884344 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/nfs/dbraw/zinc/28/17/72/701281772.db2.gz UWLCSSIWGRMMOC-UHFFFAOYSA-N 0 1 311.275 1.518 20 5 DDBDMN O=C(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000839680440 701781663 /nfs/dbraw/zinc/78/16/63/701781663.db2.gz LQUYDKDXKBTFPX-ZIAGYGMSSA-N 0 1 317.345 1.090 20 5 DDBDMN CC(=O)N(Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1)C1CC1 ZINC000839686181 701783850 /nfs/dbraw/zinc/78/38/50/701783850.db2.gz MIHRTMZOIGZBCM-HUUCEWRRSA-N 0 1 317.345 1.801 20 5 DDBDMN Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)CO1 ZINC000839692292 701786123 /nfs/dbraw/zinc/78/61/23/701786123.db2.gz KLTKBWSWTMDNFK-NMFUWQPSSA-N 0 1 304.346 1.949 20 5 DDBDMN Cc1ccnc(OC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000839723186 701797321 /nfs/dbraw/zinc/79/73/21/701797321.db2.gz PVMSQAPENCCFIO-CHWSQXEVSA-N 0 1 305.334 1.425 20 5 DDBDMN O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839743222 701806230 /nfs/dbraw/zinc/80/62/30/701806230.db2.gz OIZWPYOJENDNNP-QVHKTLOISA-N 0 1 308.309 1.073 20 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/nfs/dbraw/zinc/19/40/48/702194048.db2.gz TXQROABPNOUGHM-CHWSQXEVSA-N 0 1 315.285 1.977 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCCc1ccc(F)cc1 ZINC000840672482 702196924 /nfs/dbraw/zinc/19/69/24/702196924.db2.gz QQFDQZUWHNHJMC-OASPWFOLSA-N 0 1 324.308 1.081 20 5 DDBDMN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000843060021 702810458 /nfs/dbraw/zinc/81/04/58/702810458.db2.gz QSJZRVXVQATLRC-XROYCOCOSA-N 0 1 308.256 1.530 20 5 DDBDMN COc1ccccc1[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000870107312 703917347 /nfs/dbraw/zinc/91/73/47/703917347.db2.gz LBGNKGGPYIIDRE-YRGRVCCFSA-N 0 1 306.318 1.260 20 5 DDBDMN CN(C)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000854200608 704366225 /nfs/dbraw/zinc/36/62/25/704366225.db2.gz KMUGLHNBHUBGPP-UHFFFAOYSA-N 0 1 318.377 1.338 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000821782350 704806244 /nfs/dbraw/zinc/80/62/44/704806244.db2.gz XIOQGUOYTKPXFP-LBPRGKRZSA-N 0 1 309.370 1.042 20 5 DDBDMN CC(=O)Nc1ccc2c(c1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000874517912 705091869 /nfs/dbraw/zinc/09/18/69/705091869.db2.gz FZJSVVVSWFGYML-ZIAGYGMSSA-N 0 1 303.318 1.195 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCCN3C)n1 ZINC000874827016 705185543 /nfs/dbraw/zinc/18/55/43/705185543.db2.gz AGNBGIWHFWJHRN-QWRGUYRKSA-N 0 1 307.354 1.120 20 5 DDBDMN COc1cccc([C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C(F)(F)F)n1 ZINC000861104093 705371339 /nfs/dbraw/zinc/37/13/39/705371339.db2.gz ATDRIUUPAZRNGC-GTNGPMTGSA-N 0 1 320.223 1.902 20 5 DDBDMN O=C(OCCn1ccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])[nH]1 ZINC000861410105 705459665 /nfs/dbraw/zinc/45/96/65/705459665.db2.gz IMRGCNRUOUIQKI-UHFFFAOYSA-N 0 1 318.211 1.995 20 5 DDBDMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827238439 705957697 /nfs/dbraw/zinc/95/76/97/705957697.db2.gz PHSYHRYQESWJFE-JSGCOSHPSA-N 0 1 316.317 1.545 20 5 DDBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC000827267591 705964339 /nfs/dbraw/zinc/96/43/39/705964339.db2.gz NRYAKBXMZHIGDT-ZWNOBZJWSA-N 0 1 305.334 1.467 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000827490929 706013253 /nfs/dbraw/zinc/01/32/53/706013253.db2.gz JHPDJJNHUFAHQB-HUUCEWRRSA-N 0 1 321.377 1.427 20 5 DDBDMN O=C(CCNC(=O)C(F)(F)F)COc1ccc([N+](=O)[O-])cc1 ZINC000865341532 706409253 /nfs/dbraw/zinc/40/92/53/706409253.db2.gz RWTASTWFUQOAOC-UHFFFAOYSA-N 0 1 320.223 1.611 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880614811 707042757 /nfs/dbraw/zinc/04/27/57/707042757.db2.gz ZWFUFXPFYOBTCX-LBPRGKRZSA-N 0 1 323.397 1.288 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](c2ncccn2)C1 ZINC000886689775 708814481 /nfs/dbraw/zinc/81/44/81/708814481.db2.gz HNFJTXSIDPWHQV-ZDUSSCGKSA-N 0 1 316.365 1.769 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCSC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000888494832 709324673 /nfs/dbraw/zinc/32/46/73/709324673.db2.gz HLBCPWWMCHGYBD-SNVBAGLBSA-N 0 1 310.379 1.984 20 5 DDBDMN O=C(NC1(c2ccc3c(c2)OCCO3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000889004897 709430239 /nfs/dbraw/zinc/43/02/39/709430239.db2.gz UJORTSKLPXBFCD-GHMZBOCLSA-N 0 1 304.302 1.228 20 5 DDBDMN CC(C)N(Cc1cn(CCn2ccc([N+](=O)[O-])n2)nn1)C(C)C ZINC000900536335 709641252 /nfs/dbraw/zinc/64/12/52/709641252.db2.gz GGEGMXQJKDPPLZ-UHFFFAOYSA-N 0 1 321.385 1.702 20 5 DDBDMN CNc1c(C(=O)N2CC[C@@H](N3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912909966 713121125 /nfs/dbraw/zinc/12/11/25/713121125.db2.gz KWPGFMKIUYRUBR-LLVKDONJSA-N 0 1 304.350 1.557 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CN3CCC2CC3)n1 ZINC000892773963 710496577 /nfs/dbraw/zinc/49/65/77/710496577.db2.gz LZUBVZYXPKZCJP-AWEZNQCLSA-N 0 1 307.354 1.025 20 5 DDBDMN C[C@@H]1[C@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CCN1C ZINC000895737553 711590758 /nfs/dbraw/zinc/59/07/58/711590758.db2.gz BJCXSFDWTZCKML-ZYHUDNBSSA-N 0 1 316.361 1.951 20 5 DDBDMN CN(CC(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000913660237 713276800 /nfs/dbraw/zinc/27/68/00/713276800.db2.gz SAQZRWNBKYIWDX-INIZCTEOSA-N 0 1 321.377 1.403 20 5 DDBDMN CSc1ccc(C(=O)NC23CCN(CC2)C3)cc1[N+](=O)[O-] ZINC000913625293 713271503 /nfs/dbraw/zinc/27/15/03/713271503.db2.gz IQQKQFFALHAPNJ-UHFFFAOYSA-N 0 1 307.375 1.895 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c1 ZINC000896558122 711751665 /nfs/dbraw/zinc/75/16/65/711751665.db2.gz YDZHAUNCFOVBHJ-IUODEOHRSA-N 0 1 320.393 1.267 20 5 DDBDMN COC[C@H]1CNCCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000904406413 711853576 /nfs/dbraw/zinc/85/35/76/711853576.db2.gz SMFCXMMIDFMKLK-GFCCVEGCSA-N 0 1 308.338 1.355 20 5 DDBDMN CCOc1cc(N2CCN(C)CC2)ccc1NCC[N+](=O)[O-] ZINC000905328455 712003725 /nfs/dbraw/zinc/00/37/25/712003725.db2.gz LODJOWMNNBFNOE-UHFFFAOYSA-N 0 1 308.382 1.526 20 5 DDBDMN C[NH+](C)C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000916956593 713475821 /nfs/dbraw/zinc/47/58/21/713475821.db2.gz UWDZBNBJEGTXIC-UHFFFAOYSA-N 0 1 305.381 1.027 20 5 DDBDMN O=C1OCCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000933616721 714632284 /nfs/dbraw/zinc/63/22/84/714632284.db2.gz LNIRJPSZNJBKTK-UHFFFAOYSA-N 0 1 323.353 1.098 20 5 DDBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CCC2CC2)CC1 ZINC000956368633 715419279 /nfs/dbraw/zinc/41/92/79/715419279.db2.gz MOFLTIDOZSPPLY-CHWSQXEVSA-N 0 1 323.393 1.339 20 5 DDBDMN CN1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC001164669125 719379306 /nfs/dbraw/zinc/37/93/06/719379306.db2.gz QBKCUQXSDZXWPF-KGLIPLIRSA-N 0 1 315.333 1.057 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C=C2CCC2)CC1 ZINC000953926692 721679691 /nfs/dbraw/zinc/67/96/91/721679691.db2.gz BMJNADIJANYDKG-ZIAGYGMSSA-N 0 1 321.377 1.211 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2nc[nH]n2)c1[N+](=O)[O-] ZINC001167526904 734662470 /nfs/dbraw/zinc/66/24/70/734662470.db2.gz GRBHMAYGCUAQNA-QMMMGPOBSA-N 0 1 319.325 1.537 20 5 DDBDMN O=C(NC1CCN(C/C(Cl)=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788238 743430910 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O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1)c1[nH]ncc1F ZINC001107492392 750048540 /nfs/dbraw/zinc/04/85/40/750048540.db2.gz KENMPBPIDJXWDK-UPHRSURJSA-N 0 1 319.296 1.855 20 5 DDBDMN O=C(NCC=CCNc1ccccc1[N+](=O)[O-])c1[nH]ncc1F ZINC001107492709 750049118 /nfs/dbraw/zinc/04/91/18/750049118.db2.gz REZXSDFVFUGZCF-ARJAWSKDSA-N 0 1 319.296 1.855 20 5 DDBDMN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncc(Br)cn2)C1 ZINC001168979936 762148816 /nfs/dbraw/zinc/14/88/16/762148816.db2.gz CHVUXHMQJTWHHQ-SCZZXKLOSA-N 0 1 315.171 1.774 20 5 DDBDMN COc1cccc(C2(N[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168997070 762169683 /nfs/dbraw/zinc/16/96/83/762169683.db2.gz XEWQXJSPZZLDCW-TZMCWYRMSA-N 0 1 306.362 1.956 20 5 DDBDMN C/C(=C/C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)C1CC1 ZINC001062989696 753901149 /nfs/dbraw/zinc/90/11/49/753901149.db2.gz NTOCRZSYGBSZMW-ZBKFBRRISA-N 0 1 321.377 1.163 20 5 DDBDMN CC1(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCCCC1 ZINC001011115405 754361353 /nfs/dbraw/zinc/36/13/53/754361353.db2.gz CCLIWELYFOHZBR-CHWSQXEVSA-N 0 1 323.393 1.293 20 5 DDBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CN(C)CCN1C ZINC000829037764 759864832 /nfs/dbraw/zinc/86/48/32/759864832.db2.gz MIXZTHJYWZHKFB-IINYFYTJSA-N 0 1 324.356 1.098 20 5 DDBDMN CCc1cccc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001042705637 764373245 /nfs/dbraw/zinc/37/32/45/764373245.db2.gz VTOTURYKLSPNTL-HZPDHXFCSA-N 0 1 317.389 1.557 20 5 DDBDMN COc1ccc(C[C@H](C)N2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334314 766256830 /nfs/dbraw/zinc/25/68/30/766256830.db2.gz CAJBUYDAPHSDCN-RBOXIYTFSA-N 0 1 324.377 1.210 20 5 DDBDMN Cc1nc(C(=O)NCCNCc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001135669289 771643271 /nfs/dbraw/zinc/64/32/71/771643271.db2.gz HYBIXELTGJIJAA-UHFFFAOYSA-N 0 1 324.362 1.781 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C2=NC(=O)N(C)C2)c1 ZINC001094091482 775424440 /nfs/dbraw/zinc/42/44/40/775424440.db2.gz RTRYAMDKYJDLSQ-UHFFFAOYSA-N 0 1 319.321 1.184 20 5 DDBDMN Cc1cc(N(C)CCNC(=O)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001100354321 776044151 /nfs/dbraw/zinc/04/41/51/776044151.db2.gz WQHHIQWSIBJCNP-UHFFFAOYSA-N 0 1 317.349 1.421 20 5 DDBDMN CN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001101535247 777225360 /nfs/dbraw/zinc/22/53/60/777225360.db2.gz YXHIOUIWTIPALW-UHFFFAOYSA-N 0 1 303.322 1.431 20 5 DDBDMN C[C@](CO)(NC[C@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001175324027 777751234 /nfs/dbraw/zinc/75/12/34/777751234.db2.gz ROUYJTCSAVZIPI-HUUCEWRRSA-N 0 1 324.377 1.058 20 5 DDBDMN C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC001118221716 781065457 /nfs/dbraw/zinc/06/54/57/781065457.db2.gz JBNHDJBQKGIXOX-LLVKDONJSA-N 0 1 322.365 1.341 20 5 DDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1N1CCCC1=O ZINC001327313302 862053467 /nfs/dbraw/zinc/05/34/67/862053467.db2.gz QDPOYNMLIURJCV-DGCLKSJQSA-N 0 1 303.318 1.726 20 5 DDBDMN O=C(NCCNCc1csc([N+](=O)[O-])c1)c1ccncc1 ZINC001122590932 858901439 /nfs/dbraw/zinc/90/14/39/858901439.db2.gz YKRWOUROCJUYAS-UHFFFAOYSA-N 0 1 306.347 1.571 20 5 DDBDMN CCCCOCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125077885 859890197 /nfs/dbraw/zinc/89/01/97/859890197.db2.gz HTGYHTXUVCSLNV-UHFFFAOYSA-N 0 1 315.395 1.679 20 5 DDBDMN C[C@@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001156664755 863245132 /nfs/dbraw/zinc/24/51/32/863245132.db2.gz RXRINYHJPADWBM-CQSZACIVSA-N 0 1 302.290 1.746 20 5 DDBDMN CC(C)(C)c1cnc(CNCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001157775629 864130943 /nfs/dbraw/zinc/13/09/43/864130943.db2.gz SNENOHRQDORGGT-GHMZBOCLSA-N 0 1 324.381 1.233 20 5 DDBDMN CN(C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1)[C@H]1CCOC1 ZINC001158736465 864871025 /nfs/dbraw/zinc/87/10/25/864871025.db2.gz NBWQIINVNBNXDG-JTQLQIEISA-N 0 1 317.349 1.380 20 5 DDBDMN Cc1nn(CN2C[C@@H]3COC[C@]3(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC001333721525 866962428 /nfs/dbraw/zinc/96/24/28/866962428.db2.gz IKMANHXZMYLWKT-ABAIWWIYSA-N 0 1 317.349 1.574 20 5 DDBDMN Cc1nnc(CN)n1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163351219 868386344 /nfs/dbraw/zinc/38/63/44/868386344.db2.gz MTPHMJTZPQAHND-UHFFFAOYSA-N 0 1 311.305 1.400 20 5 DDBDMN CCc1nn(C)c(NCc2nc(CSC)n[nH]2)c1[N+](=O)[O-] ZINC001164158649 868979137 /nfs/dbraw/zinc/97/91/37/868979137.db2.gz SIZVMTLTGLJVBT-UHFFFAOYSA-N 0 1 311.371 1.484 20 5 DDBDMN CCc1nn(C)c(NCc2nnc(CSC)[nH]2)c1[N+](=O)[O-] ZINC001164158649 868979142 /nfs/dbraw/zinc/97/91/42/868979142.db2.gz SIZVMTLTGLJVBT-UHFFFAOYSA-N 0 1 311.371 1.484 20 5 DDBDMN O=C(CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC001338408579 869964935 /nfs/dbraw/zinc/96/49/35/869964935.db2.gz QZLIMGZTQMZGOC-AWEZNQCLSA-N 0 1 319.317 1.127 20 5 DDBDMN N[C@H]1CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1(F)F ZINC001166960327 870422342 /nfs/dbraw/zinc/42/23/42/870422342.db2.gz OPZPKNJQSOCMDH-NSHDSACASA-N 0 1 309.276 1.711 20 5 DDBDMN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])c(C(=O)OC)cc2OC)C1 ZINC001226431668 882426516 /nfs/dbraw/zinc/42/65/16/882426516.db2.gz QAKZBNILOSUARI-SNVBAGLBSA-N 0 1 324.333 1.863 20 5 DDBDMN CCCOC(=O)[C@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096667 882831757 /nfs/dbraw/zinc/83/17/57/882831757.db2.gz RHFAPRQTGCEPNX-QMMMGPOBSA-N 0 1 321.289 1.964 20 5 DDBDMN C[C@H](C(=O)OCc1cn(C)nc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC001349972668 875483092 /nfs/dbraw/zinc/48/30/92/875483092.db2.gz WZADWBDAQNETCY-GMTAPVOTSA-N 0 1 310.354 1.633 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001223103957 880831385 /nfs/dbraw/zinc/83/13/85/880831385.db2.gz ISTDGUCOHHKEAT-BJJXKVORSA-N 0 1 320.345 1.924 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CO[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001223103957 880831400 /nfs/dbraw/zinc/83/14/00/880831400.db2.gz ISTDGUCOHHKEAT-BJJXKVORSA-N 0 1 320.345 1.924 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2[nH]nnc2c1 ZINC001228663396 883604386 /nfs/dbraw/zinc/60/43/86/883604386.db2.gz CIBLDTMRWQWIQZ-QMMMGPOBSA-N 0 1 302.294 1.839 20 5 DDBDMN COC(=O)C[C@@H](C)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228810356 883682240 /nfs/dbraw/zinc/68/22/40/883682240.db2.gz JNVSQKFPTQQJNI-SSDOTTSWSA-N 0 1 313.262 1.417 20 5 DDBDMN COC(=O)c1cnc(N(C)Cc2cn[nH]c2C)c([N+](=O)[O-])c1 ZINC001307149341 913764063 /nfs/dbraw/zinc/76/40/63/913764063.db2.gz GQKGANDFMCCIHT-UHFFFAOYSA-N 0 1 305.294 1.444 20 5 DDBDMN Cc1nc(CNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001251440958 894707063 /nfs/dbraw/zinc/70/70/63/894707063.db2.gz BGTJJTLDCHSXOS-UHFFFAOYSA-N 0 1 318.337 1.405 20 5 DDBDMN CC(C)(C(=O)NCCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC001293307442 914406651 /nfs/dbraw/zinc/40/66/51/914406651.db2.gz RRMOTVKROLCUBT-VXGBXAGGSA-N 0 1 311.382 1.100 20 5 DDBDMN Cc1cc(C)c(C(=O)N(C)CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001283539284 907568450 /nfs/dbraw/zinc/56/84/50/907568450.db2.gz MTVSCCZFSHSFPK-VXGBXAGGSA-N 0 1 323.349 1.140 20 5 DDBDMN CCCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001284053024 908399695 /nfs/dbraw/zinc/39/96/95/908399695.db2.gz QGSZANRDSINVED-DDHJBXDOSA-N 0 1 311.382 1.241 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000278361394 214115910 /nfs/dbraw/zinc/11/59/10/214115910.db2.gz AWAZFSUSKFNMHZ-CQSZACIVSA-N 0 1 319.361 1.846 20 5 DDBDMN O=C(NC[C@H]1CCCCN1CCO)c1ccccc1[N+](=O)[O-] ZINC000452391451 231375618 /nfs/dbraw/zinc/37/56/18/231375618.db2.gz QBKHTUIDYDBQRK-GFCCVEGCSA-N 0 1 307.350 1.171 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](O)CC(F)(F)C1 ZINC000615908602 362483299 /nfs/dbraw/zinc/48/32/99/362483299.db2.gz RFHOPHXSKPJXLL-JTQLQIEISA-N 0 1 302.233 1.143 20 5 DDBDMN COC[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000272639975 210043949 /nfs/dbraw/zinc/04/39/49/210043949.db2.gz CKKKPUPSEDPZTQ-LLVKDONJSA-N 0 1 320.292 1.947 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000269558765 186384509 /nfs/dbraw/zinc/38/45/09/186384509.db2.gz ZSQXDNIFDWNKOO-SECBINFHSA-N 0 1 323.353 1.169 20 5 DDBDMN Cc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000054126067 352679599 /nfs/dbraw/zinc/67/95/99/352679599.db2.gz AUBHFKCRLNPNSI-UHFFFAOYSA-N 0 1 315.333 1.589 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000056458487 352774009 /nfs/dbraw/zinc/77/40/09/352774009.db2.gz JXBBOQGNAGDTSA-UTUOFQBUSA-N 0 1 319.365 1.333 20 5 DDBDMN C[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491577356 234207362 /nfs/dbraw/zinc/20/73/62/234207362.db2.gz VRKSHLLSOWRYBQ-MALLOTDXSA-N 0 1 307.325 1.910 20 5 DDBDMN CCOc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000067703310 353063759 /nfs/dbraw/zinc/06/37/59/353063759.db2.gz DPLVMRLCLLUMMM-GFCCVEGCSA-N 0 1 319.361 1.960 20 5 DDBDMN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000068004409 353079693 /nfs/dbraw/zinc/07/96/93/353079693.db2.gz OHLCWOQEESJDBV-BPNCWPANSA-N 0 1 314.345 1.902 20 5 DDBDMN COc1c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000332012028 234386678 /nfs/dbraw/zinc/38/66/78/234386678.db2.gz SGHRPCRYVRAJPQ-RISCZKNCSA-N 0 1 319.361 1.770 20 5 DDBDMN NS(=O)(=O)C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000074288475 353304987 /nfs/dbraw/zinc/30/49/87/353304987.db2.gz LXODERJXTFFJAO-LBPRGKRZSA-N 0 1 313.379 1.095 20 5 DDBDMN C[C@@H](O)C[C@@H](C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000077117289 353452893 /nfs/dbraw/zinc/45/28/93/353452893.db2.gz PLBCVJZYGJTSCG-RKDXNWHRSA-N 0 1 306.322 1.608 20 5 DDBDMN C[C@@H]1CN(C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CCO1 ZINC000079427309 353560632 /nfs/dbraw/zinc/56/06/32/353560632.db2.gz DRTZLMWKWCLPDI-LLVKDONJSA-N 0 1 322.365 1.248 20 5 DDBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@@H]1O ZINC000080466981 353609517 /nfs/dbraw/zinc/60/95/17/353609517.db2.gz MJJOEPKTTUQPIO-HIFRSBDPSA-N 0 1 319.361 1.329 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C[C@H](O)C1CC1 ZINC000305730642 354471196 /nfs/dbraw/zinc/47/11/96/354471196.db2.gz KIYQMCRENGQLKC-HZMBPMFUSA-N 0 1 307.350 1.625 20 5 DDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2n[nH]c(=O)o2)c1 ZINC000588849324 354942192 /nfs/dbraw/zinc/94/21/92/354942192.db2.gz VXTKAOPMSHWERM-UHFFFAOYSA-N 0 1 324.318 1.678 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000592826978 355704799 /nfs/dbraw/zinc/70/47/99/355704799.db2.gz HZTDZBVYXHGXKC-NSHDSACASA-N 0 1 301.306 1.651 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000593019056 355771484 /nfs/dbraw/zinc/77/14/84/355771484.db2.gz DGQLKQOJIFOPFB-NEPJUHHUSA-N 0 1 321.377 1.906 20 5 DDBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@]1(O)CCOC1 ZINC000592874537 355727254 /nfs/dbraw/zinc/72/72/54/355727254.db2.gz LPAVTSFBTYZMIX-OAHLLOKOSA-N 0 1 324.333 1.208 20 5 DDBDMN CC[C@H]1CN(C)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593032353 355775187 /nfs/dbraw/zinc/77/51/87/355775187.db2.gz YVZCVTSPRQAEBC-AWEZNQCLSA-N 0 1 321.377 1.907 20 5 DDBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000593187718 355820074 /nfs/dbraw/zinc/82/00/74/355820074.db2.gz OIVRHKYZESLSSV-JHJVBQTASA-N 0 1 321.377 1.913 20 5 DDBDMN C[C@H]1CN(CCO)CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593483545 355899768 /nfs/dbraw/zinc/89/97/68/355899768.db2.gz ZWHRDRQQQKASHO-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593750768 355986425 /nfs/dbraw/zinc/98/64/25/355986425.db2.gz RNXUBLMDMDSIJU-MPKXVKKWSA-N 0 1 324.333 1.130 20 5 DDBDMN CN(C[C@H]1CCOC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000177233088 198691825 /nfs/dbraw/zinc/69/18/25/198691825.db2.gz JWROPQCZZCPJHT-SECBINFHSA-N 0 1 304.306 1.580 20 5 DDBDMN C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CC(C)C1 ZINC000594346434 356179730 /nfs/dbraw/zinc/17/97/30/356179730.db2.gz MEBOPBYEGKTXHV-LBPRGKRZSA-N 0 1 321.381 1.295 20 5 DDBDMN CCc1nc([C@H](C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000594685855 356284052 /nfs/dbraw/zinc/28/40/52/356284052.db2.gz ZQFJIDVXPRZANX-QMMMGPOBSA-N 0 1 310.335 1.810 20 5 DDBDMN CO[C@H]([C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC1 ZINC000594780407 356315113 /nfs/dbraw/zinc/31/51/13/356315113.db2.gz IRMWTDUFLVECFT-GZMMTYOYSA-N 0 1 315.351 1.082 20 5 DDBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594826089 356328965 /nfs/dbraw/zinc/32/89/65/356328965.db2.gz DHQVFAVFPSLGOR-MRVPVSSYSA-N 0 1 318.326 1.173 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000594973952 356366957 /nfs/dbraw/zinc/36/69/57/356366957.db2.gz IANVZVCVBCLAKB-AAEUAGOBSA-N 0 1 312.391 1.959 20 5 DDBDMN Cc1cc(=O)[nH]c(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)n1 ZINC000595516689 356528705 /nfs/dbraw/zinc/52/87/05/356528705.db2.gz AEKUXGRFQSPGOI-UHFFFAOYSA-N 0 1 306.326 1.120 20 5 DDBDMN C[C@@H]1C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000595524666 356532983 /nfs/dbraw/zinc/53/29/83/356532983.db2.gz ZWQMZVNLEVZGNJ-CHWSQXEVSA-N 0 1 306.366 1.679 20 5 DDBDMN CNC(=O)[C@@H](C)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081555455 192291071 /nfs/dbraw/zinc/29/10/71/192291071.db2.gz UDQQFZHOAYQJST-NSHDSACASA-N 0 1 322.365 1.156 20 5 DDBDMN 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DDBDMN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000123244098 281167975 /nfs/dbraw/zinc/16/79/75/281167975.db2.gz NYNUZLQKAIOHSS-HTQZYQBOSA-N 0 1 305.381 1.205 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCOC[C@@H]2CC(F)F)c1[N+](=O)[O-] ZINC000286388331 281363183 /nfs/dbraw/zinc/36/31/83/281363183.db2.gz FHAUXQBNXNRKEN-ZETCQYMHSA-N 0 1 318.280 1.377 20 5 DDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000363254781 300239497 /nfs/dbraw/zinc/23/94/97/300239497.db2.gz LVCPCFPVEPRGOV-QQUHWDOBSA-N 0 1 308.309 1.779 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](CC(N)=O)C1 ZINC000368579787 301056468 /nfs/dbraw/zinc/05/64/68/301056468.db2.gz UIIKPGDLXUFWMH-MNOVXSKESA-N 0 1 320.349 1.119 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368957645 301109983 /nfs/dbraw/zinc/10/99/83/301109983.db2.gz FAFWREAWUAHILJ-DFBGVHRSSA-N 0 1 319.361 1.559 20 5 DDBDMN NC(=O)c1ccc(CN2CCCO[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 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CCC[C@@H](C)[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000565115929 308021505 /nfs/dbraw/zinc/02/15/05/308021505.db2.gz OQPAQTAINJJUMB-NOZJJQNGSA-N 0 1 320.349 1.998 20 5 DDBDMN Cc1cc(NCCC[NH+]2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567169849 308073928 /nfs/dbraw/zinc/07/39/28/308073928.db2.gz CDYLZIBNWGLVGO-UHFFFAOYSA-N 0 1 323.349 1.736 20 5 DDBDMN O=C(N[C@@H]1CN2CCC1CC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001120690956 782094989 /nfs/dbraw/zinc/09/49/89/782094989.db2.gz JUORJCVUXOHGIK-CYBMUJFWSA-N 0 1 314.345 1.900 20 5 DDBDMN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252654 533960325 /nfs/dbraw/zinc/96/03/25/533960325.db2.gz SIOJVNDIUXRVSU-HTQZYQBOSA-N 0 1 305.381 1.075 20 5 DDBDMN NC(=O)c1cnccc1NCCNc1ccccc1[N+](=O)[O-] ZINC000302028040 534510538 /nfs/dbraw/zinc/51/05/38/534510538.db2.gz LYDLPYDDVKDICU-UHFFFAOYSA-N 0 1 301.306 1.613 20 5 DDBDMN C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000156193674 525047283 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CC[C@H](C(=O)OCCn1c(C)ncc1[N+](=O)[O-])N(CC)CC ZINC000765968361 701032618 /nfs/dbraw/zinc/03/26/18/701032618.db2.gz XRLIHRNXGXJIPG-GFCCVEGCSA-N 0 1 312.370 1.763 20 5 DDBDMN Cc1csc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000768803938 701203785 /nfs/dbraw/zinc/20/37/85/701203785.db2.gz RZGJJLRYERTFOP-UHFFFAOYSA-N 0 1 319.389 1.900 20 5 DDBDMN O=C(NCCc1ccc(Br)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839685648 701783372 /nfs/dbraw/zinc/78/33/72/701783372.db2.gz GUFNHIVWOFPDGA-GHMZBOCLSA-N 0 1 313.151 1.773 20 5 DDBDMN CC(C)(C)OC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839692346 701786031 /nfs/dbraw/zinc/78/60/31/701786031.db2.gz SPUAAVFNPJBISE-CHWSQXEVSA-N 0 1 320.345 1.923 20 5 DDBDMN O=C(NCCCc1ccc2c(c1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC000839700996 701789492 /nfs/dbraw/zinc/78/94/92/701789492.db2.gz IURCAVNZJDTKEJ-VXGBXAGGSA-N 0 1 306.318 1.172 20 5 DDBDMN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839706600 701791021 /nfs/dbraw/zinc/79/10/21/701791021.db2.gz 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COCCC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001337580346 869548621 /nfs/dbraw/zinc/54/86/21/869548621.db2.gz OKDUUGHBRXRGAI-UHFFFAOYSA-N 0 1 322.365 1.322 20 5 DDBDMN N[C@H]1CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1(F)F ZINC001166962820 870427575 /nfs/dbraw/zinc/42/75/75/870427575.db2.gz YMGFEVCTGPREJE-QMMMGPOBSA-N 0 1 303.225 1.071 20 5 DDBDMN CN(CCCNC(=O)c1cnon1)Cc1ccccc1[N+](=O)[O-] ZINC001316856037 871356313 /nfs/dbraw/zinc/35/63/13/871356313.db2.gz YTUPVGANODEGRE-UHFFFAOYSA-N 0 1 319.321 1.230 20 5 DDBDMN CCC(=CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC ZINC001344204983 872938045 /nfs/dbraw/zinc/93/80/45/872938045.db2.gz FGPNGIGOCMHOPR-XJFOESAGSA-N 0 1 323.393 1.409 20 5 DDBDMN CC[C@@H](Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC001227097208 882831060 /nfs/dbraw/zinc/83/10/60/882831060.db2.gz WYDYICBMNQEYCJ-SNVBAGLBSA-N 0 1 307.262 1.574 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC001349920773 875457451 /nfs/dbraw/zinc/45/74/51/875457451.db2.gz KODXTBOHCLHUTD-JTQLQIEISA-N 0 1 308.338 1.819 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCN(C(C)=O)C2)cc1O ZINC001228811281 883682498 /nfs/dbraw/zinc/68/24/98/883682498.db2.gz OKQKUUFEZLXYNS-SECBINFHSA-N 0 1 324.289 1.087 20 5 DDBDMN O=C1OCC[C@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228862007 883702688 /nfs/dbraw/zinc/70/26/88/883702688.db2.gz JQEISYWKJOKMGA-RXMQYKEDSA-N 0 1 308.168 1.409 20 5 DDBDMN C[N@H+]1CCC[C@@H](Oc2nc(=O)[n-]c(Cl)c2[N+](=O)[O-])CC1 ZINC001231072090 885186990 /nfs/dbraw/zinc/18/69/90/885186990.db2.gz ROZQULRTHLFCKS-SSDOTTSWSA-N 0 1 302.718 1.607 20 5 DDBDMN C[C@H](CNC(=O)C1=NC(=O)N(C)C1)c1ccccc1[N+](=O)[O-] ZINC001289346874 913187021 /nfs/dbraw/zinc/18/70/21/913187021.db2.gz FZRQHOWNVHCYIN-SECBINFHSA-N 0 1 304.306 1.567 20 5 DDBDMN Cc1ccc(CNC(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC001234583685 888118701 /nfs/dbraw/zinc/11/87/01/888118701.db2.gz ZDQSMRDPTCVWSZ-UHFFFAOYSA-N 0 1 304.310 1.363 20 5 DDBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]2(F)CCCNC2)n1 ZINC001247880724 893457601 /nfs/dbraw/zinc/45/76/01/893457601.db2.gz VYYHGBUDYDLYGR-LBPRGKRZSA-N 0 1 311.248 1.727 20 5 DDBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCCN1CC=CC1 ZINC001252482138 895199898 /nfs/dbraw/zinc/19/98/98/895199898.db2.gz LFAQVXISJPADBO-UHFFFAOYSA-N 0 1 305.334 1.352 20 5 DDBDMN COC(=O)[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC001254563640 896501533 /nfs/dbraw/zinc/50/15/33/896501533.db2.gz ABAOWLRLQWYDOQ-DOMZBBRYSA-N 0 1 322.361 1.790 20 5 DDBDMN COCc1nn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c2c1CNC2 ZINC001254597485 896524081 /nfs/dbraw/zinc/52/40/81/896524081.db2.gz SNTMLDBCJNOZOR-CYBMUJFWSA-N 0 1 314.345 1.881 20 5 DDBDMN C[C@@H](CNC(=O)N(C)Cc1nnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001255913276 897157540 /nfs/dbraw/zinc/15/75/40/897157540.db2.gz ALWAPLHLEVXOMP-JTQLQIEISA-N 0 1 318.337 1.658 20 5 DDBDMN CCc1cc(C)c(C(=O)NCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001283246625 906987806 /nfs/dbraw/zinc/98/78/06/906987806.db2.gz MBJWLRLBBJWMEM-VXGBXAGGSA-N 0 1 323.349 1.052 20 5 DDBDMN CC(C)=CC(=O)NC[C@H]1C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1 ZINC001316627413 907416889 /nfs/dbraw/zinc/41/68/89/907416889.db2.gz WUXWGUXCKPMHJH-HAQNSBGRSA-N 0 1 321.381 1.279 20 5 DDBDMN CC/C(C)=C/C(=O)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001283788307 907962251 /nfs/dbraw/zinc/96/22/51/907962251.db2.gz KDZWXIVDJYZRHV-LLVNNSLESA-N 0 1 323.393 1.505 20 5 DDBDMN O=C(CC1CCC1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001285114742 910086723 /nfs/dbraw/zinc/08/67/23/910086723.db2.gz ADXYNRKTDHFTNW-CHWSQXEVSA-N 0 1 323.393 1.387 20 5 DDBDMN Cc1ccc([C@H](C)N[C@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000081902069 192337042 /nfs/dbraw/zinc/33/70/42/192337042.db2.gz KNUZDDZCJKMIJF-MNOVXSKESA-N 0 1 300.380 1.987 20 5 DDBDMN C[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000614529947 361909645 /nfs/dbraw/zinc/90/96/45/361909645.db2.gz CVKUUXSOYXPAOS-NSHDSACASA-N 0 1 317.349 1.041 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1COCC1(C)C ZINC000451805031 231198779 /nfs/dbraw/zinc/19/87/79/231198779.db2.gz AMDGBOYZIMWPDR-ZDUSSCGKSA-N 0 1 307.350 1.856 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000292575026 529465726 /nfs/dbraw/zinc/46/57/26/529465726.db2.gz GDZGUAHXIWSARQ-ZWNOBZJWSA-N 0 1 322.365 1.910 20 5 DDBDMN CN1CCC[C@H]1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294909803 530063077 /nfs/dbraw/zinc/06/30/77/530063077.db2.gz ISZNDJHFPILPBG-AWEZNQCLSA-N 0 1 319.361 1.768 20 5 DDBDMN CCOC(=O)C[C@@H](C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272718946 210124965 /nfs/dbraw/zinc/12/49/65/210124965.db2.gz ZNFHFBWBLWLXQM-SECBINFHSA-N 0 1 310.306 1.620 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC2(C1)OCCO2 ZINC000272715731 210121514 /nfs/dbraw/zinc/12/15/14/210121514.db2.gz YRXZLEPYNLYBDR-UHFFFAOYSA-N 0 1 308.290 1.280 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(C2CCCCC2)CC1 ZINC000286872865 219203350 /nfs/dbraw/zinc/20/33/50/219203350.db2.gz ZBPXHPCCQVWDQA-UHFFFAOYSA-N 0 1 307.354 1.408 20 5 DDBDMN C[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000272631449 210033260 /nfs/dbraw/zinc/03/32/60/210033260.db2.gz WSUMTAIUPFEJHT-SECBINFHSA-N 0 1 304.310 1.316 20 5 DDBDMN Cc1c(C(=O)Nc2nc(SCCO)n[nH]2)cccc1[N+](=O)[O-] ZINC000268758936 186381453 /nfs/dbraw/zinc/38/14/53/186381453.db2.gz UYLSTURKPKLJBP-UHFFFAOYSA-N 0 1 323.334 1.358 20 5 DDBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nnc[nH]1 ZINC000172619921 198125293 /nfs/dbraw/zinc/12/52/93/198125293.db2.gz CQZVQDDCCIYNJK-SECBINFHSA-N 0 1 321.362 1.852 20 5 DDBDMN C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000042811742 352352861 /nfs/dbraw/zinc/35/28/61/352352861.db2.gz FDKCRWQXRKBTMK-QWRGUYRKSA-N 0 1 310.354 1.152 20 5 DDBDMN Cn1nccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047458346 352497722 /nfs/dbraw/zinc/49/77/22/352497722.db2.gz YDPJPWUJIACISI-UHFFFAOYSA-N 0 1 300.278 1.135 20 5 DDBDMN O=C(NC1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1)c1cccs1 ZINC000056447387 352772937 /nfs/dbraw/zinc/77/29/37/352772937.db2.gz KDXDZYMNFBWCBP-WDEREUQCSA-N 0 1 323.374 1.134 20 5 DDBDMN CC(C)CN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065962278 352972863 /nfs/dbraw/zinc/97/28/63/352972863.db2.gz DFGWXAWSBTTXJM-UHFFFAOYSA-N 0 1 309.322 1.850 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000067592955 353056848 /nfs/dbraw/zinc/05/68/48/353056848.db2.gz NJILLLIRDVSBIN-KBPBESRZSA-N 0 1 307.325 1.894 20 5 DDBDMN CC[C@@H](CO)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000075960329 353388050 /nfs/dbraw/zinc/38/80/50/353388050.db2.gz LXIJQPGZXIPSTH-LBPRGKRZSA-N 0 1 311.357 1.622 20 5 DDBDMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093420125 353900851 /nfs/dbraw/zinc/90/08/51/353900851.db2.gz SWFHMJNOARDWAO-NXEZZACHSA-N 0 1 316.379 1.554 20 5 DDBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586779352 354864590 /nfs/dbraw/zinc/86/45/90/354864590.db2.gz CKPNEIADOGUPTM-UHFFFAOYSA-N 0 1 320.696 1.778 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000589510903 354997909 /nfs/dbraw/zinc/99/79/09/354997909.db2.gz UNJXPNISUIDLIX-ZYHUDNBSSA-N 0 1 308.334 1.584 20 5 DDBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000591785467 355385566 /nfs/dbraw/zinc/38/55/66/355385566.db2.gz NGERCHNZVVAVLH-ANLVUFKYSA-N 0 1 308.212 1.342 20 5 DDBDMN C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000592977181 355760186 /nfs/dbraw/zinc/76/01/86/355760186.db2.gz NUIOWDAGRWOYRN-PSASIEDQSA-N 0 1 306.322 1.725 20 5 DDBDMN Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593494707 355902545 /nfs/dbraw/zinc/90/25/45/355902545.db2.gz HBPLJIVNZUWVJS-AOOOYVTPSA-N 0 1 300.318 1.549 20 5 DDBDMN Cc1cnc(NCc2n[nH]c([C@@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000594590525 356258508 /nfs/dbraw/zinc/25/85/08/356258508.db2.gz XTLOBWYGEWGIBZ-JTQLQIEISA-N 0 1 304.310 1.880 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC000286397605 283150219 /nfs/dbraw/zinc/15/02/19/283150219.db2.gz NMNACGXAJQERBM-JQWIXIFHSA-N 0 1 305.334 1.467 20 5 DDBDMN COCCC(C)(C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759308 356309830 /nfs/dbraw/zinc/30/98/30/356309830.db2.gz HCTBATGETPSZPP-UHFFFAOYSA-N 0 1 303.340 1.083 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCOCC1CCC1 ZINC000594768319 356311511 /nfs/dbraw/zinc/31/15/11/356311511.db2.gz JTVMAKLCMSFNNF-UHFFFAOYSA-N 0 1 315.351 1.085 20 5 DDBDMN CO[C@@H]([C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC1 ZINC000594780409 356315127 /nfs/dbraw/zinc/31/51/27/356315127.db2.gz IRMWTDUFLVECFT-KWQFWETISA-N 0 1 315.351 1.082 20 5 DDBDMN NC(=O)c1ccc(CN(C2CC2)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000595533895 356536861 /nfs/dbraw/zinc/53/68/61/356536861.db2.gz PPHJLETVCDFYPZ-UHFFFAOYSA-N 0 1 319.361 1.573 20 5 DDBDMN C[C@@]12COC[C@H]1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761675 356642298 /nfs/dbraw/zinc/64/22/98/356642298.db2.gz ZBHXHELHKJDLTN-IUODEOHRSA-N 0 1 305.334 1.162 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000595785036 356651499 /nfs/dbraw/zinc/65/14/99/356651499.db2.gz VVVUHBVZNJFYME-UONOGXRCSA-N 0 1 320.345 1.775 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H]1C ZINC000347202616 283207059 /nfs/dbraw/zinc/20/70/59/283207059.db2.gz KTMUWLZPDKJMIW-ZYHUDNBSSA-N 0 1 308.334 1.987 20 5 DDBDMN CC(C)(N)c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000595930637 356709057 /nfs/dbraw/zinc/70/90/57/356709057.db2.gz BDVSXYORSJPAIU-UHFFFAOYSA-N 0 1 318.333 1.749 20 5 DDBDMN C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000596104796 356772913 /nfs/dbraw/zinc/77/29/13/356772913.db2.gz NKWGVFNMWBWDLN-JTQLQIEISA-N 0 1 313.789 1.113 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3COC[C@@H]3C1)OCCO2 ZINC000597231768 357103592 /nfs/dbraw/zinc/10/35/92/357103592.db2.gz QPCOVUIOGUDPJM-AAEUAGOBSA-N 0 1 320.345 1.834 20 5 DDBDMN CCOc1cc(CN2CC[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000276854796 213135622 /nfs/dbraw/zinc/13/56/22/213135622.db2.gz FIEIYECCZRHPFC-LBPRGKRZSA-N 0 1 308.334 1.988 20 5 DDBDMN CCc1n[nH]c(C(=O)NC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858575 357360728 /nfs/dbraw/zinc/36/07/28/357360728.db2.gz NMNLIYCAWSXPGD-SECBINFHSA-N 0 1 309.370 1.483 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000597858162 357360756 /nfs/dbraw/zinc/36/07/56/357360756.db2.gz KZZCFBBTMSWKDR-LLVKDONJSA-N 0 1 307.350 1.903 20 5 DDBDMN C[C@@]12COC[C@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000598226896 357500077 /nfs/dbraw/zinc/50/00/77/357500077.db2.gz FMKNBAWMJQAHOT-RFAUZJTJSA-N 0 1 316.317 1.580 20 5 DDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CN(C)C2)c1 ZINC000598162992 357478767 /nfs/dbraw/zinc/47/87/67/357478767.db2.gz LWGSLURUNGTWKX-UHFFFAOYSA-N 0 1 309.391 1.950 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC2CCCC2)n1 ZINC000599209413 357851192 /nfs/dbraw/zinc/85/11/92/357851192.db2.gz LWEPOUSHGWEFMA-UHFFFAOYSA-N 0 1 316.383 1.577 20 5 DDBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179444225 199036113 /nfs/dbraw/zinc/03/61/13/199036113.db2.gz SCAJCNODYHQNLK-JTQLQIEISA-N 0 1 305.334 1.515 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1nnc[nH]1 ZINC000179596111 199061815 /nfs/dbraw/zinc/06/18/15/199061815.db2.gz HMOFTGUGMWIKRD-UHFFFAOYSA-N 0 1 303.322 1.910 20 5 DDBDMN O=C(CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000599472420 357948672 /nfs/dbraw/zinc/94/86/72/357948672.db2.gz VVFSNPBHAVBZLG-UHFFFAOYSA-N 0 1 313.335 1.027 20 5 DDBDMN CN(Cc1nnc[nH]1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179798741 199081813 /nfs/dbraw/zinc/08/18/13/199081813.db2.gz LMGGTMPJOYAMDQ-UHFFFAOYSA-N 0 1 313.264 1.946 20 5 DDBDMN CC(C)(CN1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602026924 358782580 /nfs/dbraw/zinc/78/25/80/358782580.db2.gz PPTDEBJVGIVOCO-UHFFFAOYSA-N 0 1 307.350 1.892 20 5 DDBDMN C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@]1(C)C(=O)NC2=O ZINC000602723865 359150573 /nfs/dbraw/zinc/15/05/73/359150573.db2.gz HQZFBZJCIZSPEC-GASCZTMLSA-N 0 1 321.308 1.219 20 5 DDBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(Cc2nnc[nH]2)CC1 ZINC000602867172 359251720 /nfs/dbraw/zinc/25/17/20/359251720.db2.gz QTOGXOPNFBQECA-GFCCVEGCSA-N 0 1 316.365 1.592 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000602953292 359318278 /nfs/dbraw/zinc/31/82/78/359318278.db2.gz RYHVPARUNMUBBW-ZDUSSCGKSA-N 0 1 321.381 1.524 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](OC)C[C@@]1(C)CO ZINC000602965140 359329269 /nfs/dbraw/zinc/32/92/69/359329269.db2.gz ZRSBCKOQALTQTI-ZFWWWQNUSA-N 0 1 310.350 1.575 20 5 DDBDMN CCOC(=O)C[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000187599619 200133027 /nfs/dbraw/zinc/13/30/27/200133027.db2.gz PKEUHTMBHYIXAH-CYBMUJFWSA-N 0 1 312.326 1.416 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604229147 359728694 /nfs/dbraw/zinc/72/86/94/359728694.db2.gz DRQVBEICLPUGJU-SNVBAGLBSA-N 0 1 308.338 1.819 20 5 DDBDMN CCOC(=O)CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000609167041 360268972 /nfs/dbraw/zinc/26/89/72/360268972.db2.gz MQAYNZYEOCNAPP-UHFFFAOYSA-N 0 1 310.310 1.184 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000609269713 360286129 /nfs/dbraw/zinc/28/61/29/360286129.db2.gz VXNSBHDCOFPKOV-ZDUSSCGKSA-N 0 1 321.377 1.744 20 5 DDBDMN COc1ccc(CNC(=O)[C@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000609547383 360323021 /nfs/dbraw/zinc/32/30/21/360323021.db2.gz BNJDYCAMEJLDJG-GFCCVEGCSA-N 0 1 307.350 1.704 20 5 DDBDMN CCOc1cc(C(=O)NCc2c[nH]nn2)c([N+](=O)[O-])cc1OC ZINC000610486825 360448135 /nfs/dbraw/zinc/44/81/35/360448135.db2.gz FSHBLPXTVIZASG-UHFFFAOYSA-N 0 1 321.293 1.050 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000281245626 216180493 /nfs/dbraw/zinc/18/04/93/216180493.db2.gz NVPMDFWETHUPFB-QMMMGPOBSA-N 0 1 305.294 1.603 20 5 DDBDMN C[C@H]1COCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612104200 360921180 /nfs/dbraw/zinc/92/11/80/360921180.db2.gz QTMCVEQIGXTUJV-QWHCGFSZSA-N 0 1 310.350 1.445 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000619868256 364167636 /nfs/dbraw/zinc/16/76/36/364167636.db2.gz FYSCVXHEJQUDBL-ZETCQYMHSA-N 0 1 308.250 1.296 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(C2N=NC(=O)O2)CC1 ZINC000619872459 364170346 /nfs/dbraw/zinc/17/03/46/364170346.db2.gz ORJPNOPCVJZDHT-UHFFFAOYSA-N 0 1 308.250 1.296 20 5 DDBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000275152049 212153534 /nfs/dbraw/zinc/15/35/34/212153534.db2.gz GYDRHMQVTUXUPW-SNVBAGLBSA-N 0 1 315.333 1.558 20 5 DDBDMN O=C(NC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1)C1CCC1 ZINC000274985525 212058502 /nfs/dbraw/zinc/05/85/02/212058502.db2.gz LFVPGHAXJOAXCM-UHFFFAOYSA-N 0 1 319.317 1.041 20 5 DDBDMN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C2CCC2)CC1 ZINC000264965015 204308910 /nfs/dbraw/zinc/30/89/10/204308910.db2.gz MVIKPDPQCKERJX-UHFFFAOYSA-N 0 1 319.361 1.670 20 5 DDBDMN CNC(=O)c1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000266206661 205183179 /nfs/dbraw/zinc/18/31/79/205183179.db2.gz FGBURIHPYPQFGD-ZDUSSCGKSA-N 0 1 316.361 1.405 20 5 DDBDMN CC(C)[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336833727 249242219 /nfs/dbraw/zinc/24/22/19/249242219.db2.gz GWUAVHSCJNWJSR-VIFPVBQESA-N 0 1 306.315 1.029 20 5 DDBDMN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000110815578 194360572 /nfs/dbraw/zinc/36/05/72/194360572.db2.gz VOXFRBIDUQPLND-UHFFFAOYSA-N 0 1 307.350 1.771 20 5 DDBDMN O=C(N[C@@H]1CCCC[C@@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000269468080 207565419 /nfs/dbraw/zinc/56/54/19/207565419.db2.gz WOHUWXILVFELOA-NEPJUHHUSA-N 0 1 304.306 1.504 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155115328 197023652 /nfs/dbraw/zinc/02/36/52/197023652.db2.gz OYFPSVZFWGBIMF-GHMZBOCLSA-N 0 1 309.370 1.041 20 5 DDBDMN COC[C@@]1(C(=O)OC)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000294923312 224313708 /nfs/dbraw/zinc/31/37/08/224313708.db2.gz BBTMVMZGDDWETL-OAHLLOKOSA-N 0 1 308.334 1.606 20 5 DDBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCNC[C@H]1C ZINC000125094933 195711553 /nfs/dbraw/zinc/71/15/53/195711553.db2.gz ANUZUVLFGFOMBW-GHMZBOCLSA-N 0 1 309.391 1.896 20 5 DDBDMN CCO[C@H]1C[C@H]1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000568588007 304299623 /nfs/dbraw/zinc/29/96/23/304299623.db2.gz FRRGOUAWZDBFKN-RISCZKNCSA-N 0 1 324.333 1.414 20 5 DDBDMN CCN1CCN(CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000076425108 406967524 /nfs/dbraw/zinc/96/75/24/406967524.db2.gz AHLYSXXTWKWDJN-CYBMUJFWSA-N 0 1 320.393 1.410 20 5 DDBDMN CN(C)C(C)(C)CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620064 407141710 /nfs/dbraw/zinc/14/17/10/407141710.db2.gz VLHOFZBSTKUYCV-UHFFFAOYSA-N 0 1 315.395 1.750 20 5 DDBDMN CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000124696605 407366277 /nfs/dbraw/zinc/36/62/77/407366277.db2.gz BQBKKBGKQQEUEE-CHWSQXEVSA-N 0 1 308.382 1.580 20 5 DDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107691356 407378451 /nfs/dbraw/zinc/37/84/51/407378451.db2.gz SHGDFBZQJXMXSR-NSHDSACASA-N 0 1 307.350 1.552 20 5 DDBDMN COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265950218 407521699 /nfs/dbraw/zinc/52/16/99/407521699.db2.gz MGSWJNOHXVJWLC-SNVBAGLBSA-N 0 1 323.349 1.294 20 5 DDBDMN C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000261944519 407686568 /nfs/dbraw/zinc/68/65/68/407686568.db2.gz VHXVFQMLHVXIEK-ZANVPECISA-N 0 1 321.333 1.379 20 5 DDBDMN CC(C)C[C@H](CO)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186649936 407730098 /nfs/dbraw/zinc/73/00/98/407730098.db2.gz WKNFLAODOSAISA-LLVKDONJSA-N 0 1 320.349 1.950 20 5 DDBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1nnc[nH]1 ZINC000179216818 407758135 /nfs/dbraw/zinc/75/81/35/407758135.db2.gz ZYIJNTIWJHBWMC-UHFFFAOYSA-N 0 1 314.305 2.000 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272323168 407867537 /nfs/dbraw/zinc/86/75/37/407867537.db2.gz KDIWAVHTDICUHT-UHFFFAOYSA-N 0 1 311.248 1.463 20 5 DDBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2c1cnn2C ZINC000135560702 408030646 /nfs/dbraw/zinc/03/06/46/408030646.db2.gz WFJNOHUDNMQRMV-CYBMUJFWSA-N 0 1 304.354 1.534 20 5 DDBDMN COCC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181726442 408031143 /nfs/dbraw/zinc/03/11/43/408031143.db2.gz HVGUAIYVMZEJJF-UHFFFAOYSA-N 0 1 316.379 1.383 20 5 DDBDMN Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272598502 408000617 /nfs/dbraw/zinc/00/06/17/408000617.db2.gz XDOFZHQXCYPWHZ-QMMMGPOBSA-N 0 1 304.306 1.833 20 5 DDBDMN CC[C@@H](N[C@@H](C)C(=O)NCC(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000181540047 408007814 /nfs/dbraw/zinc/00/78/14/408007814.db2.gz QBVYPUYIAJSENU-GXFFZTMASA-N 0 1 323.349 1.313 20 5 DDBDMN CCN(CC)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cn1 ZINC000136216953 408089103 /nfs/dbraw/zinc/08/91/03/408089103.db2.gz RSXZNYODXCJQAQ-UHFFFAOYSA-N 0 1 318.337 1.489 20 5 DDBDMN CCN(CC)c1ccc(CNC(=O)c2[n-]ncc2[N+](=O)[O-])c[nH+]1 ZINC000136216953 408089108 /nfs/dbraw/zinc/08/91/08/408089108.db2.gz RSXZNYODXCJQAQ-UHFFFAOYSA-N 0 1 318.337 1.489 20 5 DDBDMN C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121459333 408216711 /nfs/dbraw/zinc/21/67/11/408216711.db2.gz UOMOAHOXTUCHJK-CBAPKCEASA-N 0 1 304.299 1.190 20 5 DDBDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182671669 408217403 /nfs/dbraw/zinc/21/74/03/408217403.db2.gz SLBYCEBCTTZCBM-SNVBAGLBSA-N 0 1 323.349 1.467 20 5 DDBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151263306 408286839 /nfs/dbraw/zinc/28/68/39/408286839.db2.gz YKOPIYRYUANKRR-HNNXBMFYSA-N 0 1 320.393 1.805 20 5 DDBDMN CC[C@@H](CO)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000269438930 408310377 /nfs/dbraw/zinc/31/03/77/408310377.db2.gz CZUXVKRZEGQURJ-AWEZNQCLSA-N 0 1 321.377 1.052 20 5 DDBDMN COc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1O ZINC000177215241 408555621 /nfs/dbraw/zinc/55/56/21/408555621.db2.gz JFCZYNDWRPGUJD-UHFFFAOYSA-N 0 1 306.322 1.638 20 5 DDBDMN COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184641385 408659936 /nfs/dbraw/zinc/65/99/36/408659936.db2.gz PXIJZLONADHUBA-OLZOCXBDSA-N 0 1 324.337 1.031 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCN(C)CC1 ZINC000162084155 408669773 /nfs/dbraw/zinc/66/97/73/408669773.db2.gz XQRACQGORZGOBV-UHFFFAOYSA-N 0 1 320.349 1.006 20 5 DDBDMN C[C@H](C[S@](C)=O)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126357 408765153 /nfs/dbraw/zinc/76/51/53/408765153.db2.gz NDDLCHFPWBEEST-GIPWTMENSA-N 0 1 300.380 1.672 20 5 DDBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000178106823 408775493 /nfs/dbraw/zinc/77/54/93/408775493.db2.gz SKEFTMPORJEMPY-CYBMUJFWSA-N 0 1 319.361 1.389 20 5 DDBDMN CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276134217 408822179 /nfs/dbraw/zinc/82/21/79/408822179.db2.gz BQFQEEXKUPHLOA-JTQLQIEISA-N 0 1 313.379 1.362 20 5 DDBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)C1=CC[N@@H+](C)CC1 ZINC000276297587 408830930 /nfs/dbraw/zinc/83/09/30/408830930.db2.gz WPCZZJZFXJHZOQ-SNVBAGLBSA-N 0 1 304.350 1.557 20 5 DDBDMN O=C(NCCC1(O)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000285722640 408851230 /nfs/dbraw/zinc/85/12/30/408851230.db2.gz ULTUXGNPRWGFCY-UHFFFAOYSA-N 0 1 304.306 1.506 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N(C)CCCCO)cccc1[N+](=O)[O-] ZINC000276460247 408863227 /nfs/dbraw/zinc/86/32/27/408863227.db2.gz XINHBMSGMLQHOB-LBPRGKRZSA-N 0 1 309.366 1.935 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2n[nH]c(C)n2)c1 ZINC000286217844 408944374 /nfs/dbraw/zinc/94/43/74/408944374.db2.gz BXRWCGVUYRWSRC-SSDOTTSWSA-N 0 1 305.294 1.521 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C2CC2)n1 ZINC000277598568 408974459 /nfs/dbraw/zinc/97/44/59/408974459.db2.gz TYSQBFBYEIGVPS-LLVKDONJSA-N 0 1 307.354 1.075 20 5 DDBDMN CCN1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286428182 408982907 /nfs/dbraw/zinc/98/29/07/408982907.db2.gz IRGUNVOBFGSNHB-CYBMUJFWSA-N 0 1 320.393 1.584 20 5 DDBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000277814853 409016380 /nfs/dbraw/zinc/01/63/80/409016380.db2.gz LICMHLRFJFWOJL-IUCAKERBSA-N 0 1 321.341 1.300 20 5 DDBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3cccnc3)CC2)nc1 ZINC000287822860 409098656 /nfs/dbraw/zinc/09/86/56/409098656.db2.gz QMFMURPMKZQGKA-UHFFFAOYSA-N 0 1 314.349 1.856 20 5 DDBDMN CCc1nn(C)c(N2CCC[C@H](c3n[nH]c(C)n3)C2)c1[N+](=O)[O-] ZINC000288907629 409195006 /nfs/dbraw/zinc/19/50/06/409195006.db2.gz OHZVHNBXUXNLMY-JTQLQIEISA-N 0 1 319.369 1.701 20 5 DDBDMN CCc1nn(C)c(N2CCC[C@H](c3nnc(C)[nH]3)C2)c1[N+](=O)[O-] ZINC000288907629 409195010 /nfs/dbraw/zinc/19/50/10/409195010.db2.gz OHZVHNBXUXNLMY-JTQLQIEISA-N 0 1 319.369 1.701 20 5 DDBDMN Cc1nc(CCNc2ncnc3sc([N+](=O)[O-])cc32)n[nH]1 ZINC000288076612 409141452 /nfs/dbraw/zinc/14/14/52/409141452.db2.gz ZAMRCJIDXYQQAZ-UHFFFAOYSA-N 0 1 305.323 1.681 20 5 DDBDMN Cc1nnc(CCNc2ncnc3sc([N+](=O)[O-])cc32)[nH]1 ZINC000288076612 409141453 /nfs/dbraw/zinc/14/14/53/409141453.db2.gz ZAMRCJIDXYQQAZ-UHFFFAOYSA-N 0 1 305.323 1.681 20 5 DDBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000294139009 409246495 /nfs/dbraw/zinc/24/64/95/409246495.db2.gz OFNBZZPUDGMWNM-LLVKDONJSA-N 0 1 306.322 1.750 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000290500554 409424882 /nfs/dbraw/zinc/42/48/82/409424882.db2.gz FXWFUZWUWCLWTE-BXKDBHETSA-N 0 1 308.338 1.656 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@H]1CCOC1 ZINC000315357614 164019345 /nfs/dbraw/zinc/01/93/45/164019345.db2.gz QBOHRTBQFHSDJX-VIFPVBQESA-N 0 1 318.326 1.439 20 5 DDBDMN CC1CCC(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000408069538 164216758 /nfs/dbraw/zinc/21/67/58/164216758.db2.gz CEHMIAGEPLJUOA-UHFFFAOYSA-N 0 1 321.381 1.654 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)S1=O ZINC000408341614 164301622 /nfs/dbraw/zinc/30/16/22/164301622.db2.gz HVFXKJLUTWKOEL-RKDXNWHRSA-N 0 1 312.347 1.282 20 5 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CC1CCN(CC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531628848 307620628 /nfs/dbraw/zinc/62/06/28/307620628.db2.gz TWWRQFCLFWTTHC-UHFFFAOYSA-N 0 1 321.377 1.822 20 5 DDBDMN O=C([O-])c1cnc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000567170370 308074165 /nfs/dbraw/zinc/07/41/65/308074165.db2.gz ZIJOGNZMMUHOEL-SECBINFHSA-N 0 1 317.305 1.795 20 5 DDBDMN COc1ccc(CC(=O)NCCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000567284663 308076126 /nfs/dbraw/zinc/07/61/26/308076126.db2.gz ZHMISYNHCUCWAJ-UHFFFAOYSA-N 0 1 319.321 1.013 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000576162962 308293343 /nfs/dbraw/zinc/29/33/43/308293343.db2.gz YIRXHYJCLUSDDJ-KOLCDFICSA-N 0 1 322.365 1.767 20 5 DDBDMN O=C([O-])Cc1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000576994482 308355184 /nfs/dbraw/zinc/35/51/84/308355184.db2.gz PQEVKLUKKBXWMA-NSHDSACASA-N 0 1 316.317 1.845 20 5 DDBDMN COc1ccc(NS(=O)(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000360032014 490763468 /nfs/dbraw/zinc/76/34/68/490763468.db2.gz RLFVRANQDDEMIH-UHFFFAOYSA-N 0 1 309.303 1.799 20 5 DDBDMN C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000451927770 534070008 /nfs/dbraw/zinc/07/00/08/534070008.db2.gz JTEGTDITPRCCBI-NSHDSACASA-N 0 1 315.395 1.007 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425066806 534334028 /nfs/dbraw/zinc/33/40/28/534334028.db2.gz PTGJAGCUSPVNJV-SNVBAGLBSA-N 0 1 301.306 1.651 20 5 DDBDMN Cn1c(C(=O)Nc2nc(-c3ccncc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000433102428 534679150 /nfs/dbraw/zinc/67/91/50/534679150.db2.gz GSRMSFZRBQQBQK-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN CSCC[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154702190 525537891 /nfs/dbraw/zinc/53/78/91/525537891.db2.gz TWKOJHBUFCUGOT-QMMMGPOBSA-N 0 1 324.362 1.315 20 5 DDBDMN CC(C)c1nc(CNC(=O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000295748542 528431017 /nfs/dbraw/zinc/43/10/17/528431017.db2.gz NYZAVKYZJVPHFU-UHFFFAOYSA-N 0 1 319.321 1.532 20 5 DDBDMN CCCNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000299584632 528440098 /nfs/dbraw/zinc/44/00/98/528440098.db2.gz PESBIYHIGKEGNM-JTQLQIEISA-N 0 1 323.353 1.005 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000330743932 528543570 /nfs/dbraw/zinc/54/35/70/528543570.db2.gz RQQVMQCEPDNSIC-LLVKDONJSA-N 0 1 310.354 1.767 20 5 DDBDMN CCOC[C@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000458060139 529014443 /nfs/dbraw/zinc/01/44/43/529014443.db2.gz DHMRINCOEUKGQG-SNVBAGLBSA-N 0 1 310.354 1.912 20 5 DDBDMN C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000736600781 599749802 /nfs/dbraw/zinc/74/98/02/599749802.db2.gz ZZHKMYVPHJLNHV-SECBINFHSA-N 0 1 321.333 1.506 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832905770 601521711 /nfs/dbraw/zinc/52/17/11/601521711.db2.gz UWPLQEOYLFIBEH-CMPLNLGQSA-N 0 1 321.333 1.494 20 5 DDBDMN C[N@@H+](CCCNC(=O)[O-])Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739678623 603198418 /nfs/dbraw/zinc/19/84/18/603198418.db2.gz HRGADJHBYKBHIV-UHFFFAOYSA-N 0 1 307.310 1.492 20 5 DDBDMN C[N@@H+](CCCNC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000828301603 603569254 /nfs/dbraw/zinc/56/92/54/603569254.db2.gz AHRHOLCDZVEXRK-UHFFFAOYSA-N 0 1 308.294 1.826 20 5 DDBDMN CN(C(=O)[O-])[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000827893662 603919518 /nfs/dbraw/zinc/91/95/18/603919518.db2.gz ALRWAVVMKGHALE-LBPRGKRZSA-N 0 1 319.321 1.586 20 5 DDBDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000827893662 603919521 /nfs/dbraw/zinc/91/95/21/603919521.db2.gz ALRWAVVMKGHALE-LBPRGKRZSA-N 0 1 319.321 1.586 20 5 DDBDMN Cc1nc(NCCC[NH+]2CCN(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000830775184 604441293 /nfs/dbraw/zinc/44/12/93/604441293.db2.gz NCHQZRYOZQOMEG-UHFFFAOYSA-N 0 1 323.353 1.396 20 5 DDBDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000833834382 605897967 /nfs/dbraw/zinc/89/79/67/605897967.db2.gz NVYAPIYGHJPPPC-JTNHKYCSSA-N 0 1 323.349 1.606 20 5 DDBDMN Cc1nn(C[N@H+]2C[C@H](CNC(=O)[O-])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000833921922 605957444 /nfs/dbraw/zinc/95/74/44/605957444.db2.gz MNWGNUNKZZUKNI-KCJUWKMLSA-N 0 1 311.342 1.344 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000833921922 605957446 /nfs/dbraw/zinc/95/74/46/605957446.db2.gz MNWGNUNKZZUKNI-KCJUWKMLSA-N 0 1 311.342 1.344 20 5 DDBDMN C[C@H]1CCC[N@@H+]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820717103 606713723 /nfs/dbraw/zinc/71/37/23/606713723.db2.gz NWDGKZDQGZWYJG-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN C[C@H]1CCC[N@H+]1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820717103 606713725 /nfs/dbraw/zinc/71/37/25/606713725.db2.gz NWDGKZDQGZWYJG-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN C[C@H]1CCC[N@@H+]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820717103 606713727 /nfs/dbraw/zinc/71/37/27/606713727.db2.gz NWDGKZDQGZWYJG-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN C[C@H]1CCC[N@H+]1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820717103 606713729 /nfs/dbraw/zinc/71/37/29/606713729.db2.gz NWDGKZDQGZWYJG-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN CN(C)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c[nH]cn2)c1 ZINC000748654167 700130335 /nfs/dbraw/zinc/13/03/35/700130335.db2.gz SWTNFMKZQPVREA-UHFFFAOYSA-N 0 1 312.307 1.152 20 5 DDBDMN C[C@H](NCC(=O)N1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442050 697448828 /nfs/dbraw/zinc/44/88/28/697448828.db2.gz DXPITZARENTOPK-RYUDHWBXSA-N 0 1 307.350 1.493 20 5 DDBDMN O=C(Cc1n[nH]c2c1CCCC2)OCCn1cc([N+](=O)[O-])cn1 ZINC000777086001 698162977 /nfs/dbraw/zinc/16/29/77/698162977.db2.gz OLWPCFKVRPSTIR-UHFFFAOYSA-N 0 1 319.321 1.179 20 5 DDBDMN COc1cc(COC(=O)Cc2cc(C)[nH]n2)ccc1[N+](=O)[O-] ZINC000778821925 698371880 /nfs/dbraw/zinc/37/18/80/698371880.db2.gz KIBAFUBKLIUSDS-UHFFFAOYSA-N 0 1 305.290 1.921 20 5 DDBDMN C[C@H]1CC[C@H](C)N1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000785728511 699095934 /nfs/dbraw/zinc/09/59/34/699095934.db2.gz IDNPGBUMOUGYRG-RYUDHWBXSA-N 0 1 323.349 1.173 20 5 DDBDMN CN(C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000754870181 700534619 /nfs/dbraw/zinc/53/46/19/700534619.db2.gz AMRDVOLSHXZBMM-UHFFFAOYSA-N 0 1 321.312 1.631 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076319 700840363 /nfs/dbraw/zinc/84/03/63/700840363.db2.gz NRRLOSOLCXRHFT-DGCLKSJQSA-N 0 1 320.393 1.866 20 5 DDBDMN O=C(N[C@H](CCO)C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000768851430 701210142 /nfs/dbraw/zinc/21/01/42/701210142.db2.gz HMHIKOPAPHXZNT-LLVKDONJSA-N 0 1 304.306 1.362 20 5 DDBDMN Cc1nc(COC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000770640215 701287858 /nfs/dbraw/zinc/28/78/58/701287858.db2.gz YPIDDZCEQYSKEV-UHFFFAOYSA-N 0 1 305.294 1.567 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(CCCCO)CC1 ZINC000807986385 701493287 /nfs/dbraw/zinc/49/32/87/701493287.db2.gz WUSXEOKBGAOFTR-UHFFFAOYSA-N 0 1 311.386 1.014 20 5 DDBDMN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685252 701783704 /nfs/dbraw/zinc/78/37/04/701783704.db2.gz BHQNHLBTHRQRMU-IACUBPJLSA-N 0 1 320.345 1.490 20 5 DDBDMN COC(=O)[C@@H]1CN(C)CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000840357418 702082252 /nfs/dbraw/zinc/08/22/52/702082252.db2.gz DSRUGQIBLKGFCK-SNVBAGLBSA-N 0 1 311.313 1.275 20 5 DDBDMN COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672066 702195902 /nfs/dbraw/zinc/19/59/02/702195902.db2.gz CLIDRGURCMJTBN-IQJOONFLSA-N 0 1 308.290 1.231 20 5 DDBDMN Cc1c(-c2cc(COC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cnn1C ZINC000840672959 702196524 /nfs/dbraw/zinc/19/65/24/702196524.db2.gz GYFLJWRULZDRMF-BXKDBHETSA-N 0 1 306.278 1.092 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NC[C@@H](C)c1ccccc1 ZINC000840673023 702197495 /nfs/dbraw/zinc/19/74/95/702197495.db2.gz VZKNINVGTZTZBK-HBJVGIJOSA-N 0 1 320.345 1.503 20 5 DDBDMN O=C(OCc1ccn(CCc2ccccc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674051 702198608 /nfs/dbraw/zinc/19/86/08/702198608.db2.gz FKEBMCQUUFYYKQ-HUUCEWRRSA-N 0 1 315.329 1.834 20 5 DDBDMN O=C(OCc1ccnc(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675226 702199574 /nfs/dbraw/zinc/19/95/74/702199574.db2.gz VCFDXHHSSHTEQG-HTQZYQBOSA-N 0 1 301.096 1.553 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831175543 706650626 /nfs/dbraw/zinc/65/06/26/706650626.db2.gz LMYQXBGVAGAOLT-DGCLKSJQSA-N 0 1 302.277 1.330 20 5 DDBDMN O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842337491 702705649 /nfs/dbraw/zinc/70/56/49/702705649.db2.gz CHQFGCJUMZERIN-JHJVBQTASA-N 0 1 321.289 1.382 20 5 DDBDMN Cc1c(Cc2noc([C@@H]3CNCCO3)n2)cccc1[N+](=O)[O-] ZINC000843191319 702838000 /nfs/dbraw/zinc/83/80/00/702838000.db2.gz DFFTWRZDZFSHPE-LBPRGKRZSA-N 0 1 304.306 1.538 20 5 DDBDMN CCc1nc(CNC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n[nH]1 ZINC000843896891 702939251 /nfs/dbraw/zinc/93/92/51/702939251.db2.gz GSHHRSGTOXRPLQ-UHFFFAOYSA-N 0 1 307.285 1.653 20 5 DDBDMN CC(=O)c1ccc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844218045 702994519 /nfs/dbraw/zinc/99/45/19/702994519.db2.gz LOKXUSGMEUZLOQ-LBPRGKRZSA-N 0 1 321.333 1.250 20 5 DDBDMN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846277309 703259794 /nfs/dbraw/zinc/25/97/94/703259794.db2.gz FQHRHAXRNOZTBH-NGFQHRJXSA-N 0 1 320.345 1.813 20 5 DDBDMN O=C([O-])[C@]12C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000846281570 703260903 /nfs/dbraw/zinc/26/09/03/703260903.db2.gz FMBDELLIVOSWKM-GXFFZTMASA-N 0 1 312.347 1.579 20 5 DDBDMN CC1(C)C[C@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622168 706741954 /nfs/dbraw/zinc/74/19/54/706741954.db2.gz IHNSPQZQNGNIAU-QWHCGFSZSA-N 0 1 324.377 1.427 20 5 DDBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc[nH]n1 ZINC000848376571 703544599 /nfs/dbraw/zinc/54/45/99/703544599.db2.gz CNEJJMDXXAFYMA-LUAWRHEFSA-N 0 1 315.333 1.865 20 5 DDBDMN C[C@@H](C(=O)[O-])[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000851708195 703833882 /nfs/dbraw/zinc/83/38/82/703833882.db2.gz SWIPRCAWSINOAP-HZMBPMFUSA-N 0 1 308.334 1.956 20 5 DDBDMN COC[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000851714167 703835379 /nfs/dbraw/zinc/83/53/79/703835379.db2.gz FTKLSCUBPRXRJK-HNNXBMFYSA-N 0 1 309.366 1.378 20 5 DDBDMN O=C1[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000819359056 704112827 /nfs/dbraw/zinc/11/28/27/704112827.db2.gz SSAQMTYEPHMMDG-CFVMTHIKSA-N 0 1 319.361 1.371 20 5 DDBDMN COC(=O)NC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000852767037 704119141 /nfs/dbraw/zinc/11/91/41/704119141.db2.gz IVHPMCNHRTWWPD-AWEZNQCLSA-N 0 1 323.349 1.449 20 5 DDBDMN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819720270 704164317 /nfs/dbraw/zinc/16/43/17/704164317.db2.gz NIXRBKWWDXJUBH-MRVPVSSYSA-N 0 1 321.724 1.996 20 5 DDBDMN Cc1nn(CN2CC[C@H]3COC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC000853587165 704276879 /nfs/dbraw/zinc/27/68/79/704276879.db2.gz FZHUKHOJHPWXHH-RYUDHWBXSA-N 0 1 317.349 1.574 20 5 DDBDMN COC(=O)NC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000856447854 704529212 /nfs/dbraw/zinc/52/92/12/704529212.db2.gz VELBORKVESUPLN-UHFFFAOYSA-N 0 1 323.305 1.261 20 5 DDBDMN CON(C)C(=O)[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000858579951 704729636 /nfs/dbraw/zinc/72/96/36/704729636.db2.gz IXYBCYBQQSBNKT-IINYFYTJSA-N 0 1 307.350 1.970 20 5 DDBDMN CCN1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000823975091 705348227 /nfs/dbraw/zinc/34/82/27/705348227.db2.gz ZTUHSIBGFWBXCX-SNVBAGLBSA-N 0 1 307.354 1.735 20 5 DDBDMN O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(CC2CC2)CC1 ZINC000825363709 705654985 /nfs/dbraw/zinc/65/49/85/705654985.db2.gz AKXPOGWTZXAMAH-HNNXBMFYSA-N 0 1 319.361 1.182 20 5 DDBDMN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CC(N(C)C)C1 ZINC000828012174 706103422 /nfs/dbraw/zinc/10/34/22/706103422.db2.gz IVXCAMAKGGIWDC-UHFFFAOYSA-N 0 1 324.312 1.078 20 5 DDBDMN 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CCCc1[nH]nc(C(=O)N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000109231911 407396245 /nfs/dbraw/zinc/39/62/45/407396245.db2.gz WTZDYLZVYGGMHL-UHFFFAOYSA-N 0 1 323.397 1.684 20 5 DDBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1CCOC1 ZINC000178778208 407599303 /nfs/dbraw/zinc/59/93/03/407599303.db2.gz CFNWXVIPWOQQDO-GFCCVEGCSA-N 0 1 319.361 1.452 20 5 DDBDMN O=[N+]([O-])c1cccc(OCCN(CCO)Cc2cccnc2)c1 ZINC000152330770 407612529 /nfs/dbraw/zinc/61/25/29/407612529.db2.gz ZHEXFYRGJTXZTK-UHFFFAOYSA-N 0 1 317.345 1.863 20 5 DDBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)Cn1cccn1)C1CC1 ZINC000179241507 407762650 /nfs/dbraw/zinc/76/26/50/407762650.db2.gz SXTLWBTXCUOJAA-OAHLLOKOSA-N 0 1 316.361 1.817 20 5 DDBDMN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000272355387 407880312 /nfs/dbraw/zinc/88/03/12/407880312.db2.gz AWARCMREKJHWEZ-SNVBAGLBSA-N 0 1 301.306 1.708 20 5 DDBDMN O=C([O-])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000262695859 407905007 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C[C@H]1Cc2ccccc2N1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121475311 408219930 /nfs/dbraw/zinc/21/99/30/408219930.db2.gz ZBSBDGLGECKOPS-JTQLQIEISA-N 0 1 315.333 1.499 20 5 DDBDMN CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000176247560 408321714 /nfs/dbraw/zinc/32/17/14/408321714.db2.gz NOPCIIIVLUQLOQ-UHFFFAOYSA-N 0 1 321.381 1.268 20 5 DDBDMN CCOC[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269332135 408270371 /nfs/dbraw/zinc/27/03/71/408270371.db2.gz ALRDPYLDYCVEQI-JTQLQIEISA-N 0 1 310.354 1.940 20 5 DDBDMN COc1ccnc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000264172220 408391265 /nfs/dbraw/zinc/39/12/65/408391265.db2.gz WWONMMKSAWOAHB-UHFFFAOYSA-N 0 1 318.337 1.059 20 5 DDBDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191282790 408399236 /nfs/dbraw/zinc/39/92/36/408399236.db2.gz AIDGIAZWFVAULW-UWVGGRQHSA-N 0 1 307.350 1.427 20 5 DDBDMN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000247268738 408443282 /nfs/dbraw/zinc/44/32/82/408443282.db2.gz KJPITZOMOAJOEU-GGZOMVNGSA-N 0 1 306.322 1.395 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000264472603 408503978 /nfs/dbraw/zinc/50/39/78/408503978.db2.gz GPGXIZHKFAEZRL-NSHDSACASA-N 0 1 311.313 1.184 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2CO)c1[N+](=O)[O-] ZINC000274829823 408547466 /nfs/dbraw/zinc/54/74/66/408547466.db2.gz RNZURSZPFHDTHM-LBPRGKRZSA-N 0 1 316.317 1.358 20 5 DDBDMN CCN1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192660809 408626268 /nfs/dbraw/zinc/62/62/68/408626268.db2.gz VVUVFHFFIKGMSZ-LBPRGKRZSA-N 0 1 313.379 1.357 20 5 DDBDMN COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000184641369 408660978 /nfs/dbraw/zinc/66/09/78/408660978.db2.gz PXIJZLONADHUBA-CHWSQXEVSA-N 0 1 324.337 1.031 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCC(C)(C)C)CC2)n1 ZINC000270904827 408734879 /nfs/dbraw/zinc/73/48/79/408734879.db2.gz ALBJBUHRTBYRNP-UHFFFAOYSA-N 0 1 323.397 1.522 20 5 DDBDMN C[C@H](O)CN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000251950772 408791228 /nfs/dbraw/zinc/79/12/28/408791228.db2.gz VCEOYVBCGKHQMJ-STQMWFEESA-N 0 1 321.377 1.051 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164607312 408800731 /nfs/dbraw/zinc/80/07/31/408800731.db2.gz JWIUPOGTXLJJPC-MNOVXSKESA-N 0 1 321.333 1.718 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164607312 408800734 /nfs/dbraw/zinc/80/07/34/408800734.db2.gz JWIUPOGTXLJJPC-MNOVXSKESA-N 0 1 321.333 1.718 20 5 DDBDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000276305802 408833364 /nfs/dbraw/zinc/83/33/64/408833364.db2.gz WMTAHRVMDKLNQP-AUTRQRHGSA-N 0 1 322.321 1.040 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000285995003 408904326 /nfs/dbraw/zinc/90/43/26/408904326.db2.gz MBYLMVGIPUHNPE-NSHDSACASA-N 0 1 318.337 1.971 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000291672897 408905569 /nfs/dbraw/zinc/90/55/69/408905569.db2.gz YQCIBQOPJDJLEG-VIFPVBQESA-N 0 1 324.728 1.563 20 5 DDBDMN C[C@H](O)CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286773373 408999490 /nfs/dbraw/zinc/99/94/90/408999490.db2.gz IIWRXJOQOLPZHQ-VIFPVBQESA-N 0 1 323.378 1.102 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000278023596 409052955 /nfs/dbraw/zinc/05/29/55/409052955.db2.gz UBMDVIZEXYMBOV-WPRPVWTQSA-N 0 1 324.337 1.294 20 5 DDBDMN CC1(C)C[C@@H](NCCS(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279008977 409130204 /nfs/dbraw/zinc/13/02/04/409130204.db2.gz GSFHKPGKJWHJCA-CYBMUJFWSA-N 0 1 312.391 1.951 20 5 DDBDMN O=C(N[C@H](CO)CC1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000280324814 409292468 /nfs/dbraw/zinc/29/24/68/409292468.db2.gz USTGPTHQNCJHGF-JTQLQIEISA-N 0 1 318.333 1.752 20 5 DDBDMN CC(C)(C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)C(N)=O ZINC000295078595 409315306 /nfs/dbraw/zinc/31/53/06/409315306.db2.gz AXUBFDFPBBYUQA-LBPRGKRZSA-N 0 1 323.397 1.405 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCOCC(F)(F)C2)c1[N+](=O)[O-] ZINC000290326543 409360484 /nfs/dbraw/zinc/36/04/84/409360484.db2.gz AGYLXHBCUGASPA-UHFFFAOYSA-N 0 1 318.280 1.378 20 5 DDBDMN CC1(C)OCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295956520 409381021 /nfs/dbraw/zinc/38/10/21/409381021.db2.gz RIIMNVDXXJFTII-LLVKDONJSA-N 0 1 304.306 1.768 20 5 DDBDMN CNC(=O)c1ccc(NCCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000280663440 409398923 /nfs/dbraw/zinc/39/89/23/409398923.db2.gz BRRNWVSOYCCPRC-UHFFFAOYSA-N 0 1 304.310 1.117 20 5 DDBDMN C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295263053 409403242 /nfs/dbraw/zinc/40/32/42/409403242.db2.gz GFCGBOULTJHXRS-NSHDSACASA-N 0 1 319.361 1.857 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(C3CC3)C2)c1 ZINC000347020224 164098253 /nfs/dbraw/zinc/09/82/53/164098253.db2.gz SXRZVVPNQMEPHY-LBPRGKRZSA-N 0 1 319.361 1.912 20 5 DDBDMN C[C@@H]1[C@@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000357033735 164136867 /nfs/dbraw/zinc/13/68/67/164136867.db2.gz IAPOWWFQHOFVHW-VXGBXAGGSA-N 0 1 306.366 1.558 20 5 DDBDMN CN(C)CCN(C)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295444327 409485267 /nfs/dbraw/zinc/48/52/67/409485267.db2.gz XLMKERTWGUUJEE-UHFFFAOYSA-N 0 1 307.350 1.578 20 5 DDBDMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331513504 409588230 /nfs/dbraw/zinc/58/82/30/409588230.db2.gz NEDLVYIHIDEJJT-ZANVPECISA-N 0 1 305.334 1.513 20 5 DDBDMN O=C(N[C@H](CO)c1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356778963 409600734 /nfs/dbraw/zinc/60/07/34/409600734.db2.gz LZHMBRXOWUQUPU-CQSZACIVSA-N 0 1 320.276 1.903 20 5 DDBDMN CCN1C[C@@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345170678 409656357 /nfs/dbraw/zinc/65/63/57/409656357.db2.gz IVKJNMOZGWWJKW-WDEREUQCSA-N 0 1 306.366 1.613 20 5 DDBDMN C[C@@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCOC1 ZINC000332224319 409991597 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CCN(CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000359624972 410778383 /nfs/dbraw/zinc/77/83/83/410778383.db2.gz OSVBKCFUNAYEEZ-UHFFFAOYSA-N 0 1 319.361 1.800 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000330575854 410791037 /nfs/dbraw/zinc/79/10/37/410791037.db2.gz GEEHLZVIRMOIPO-STQMWFEESA-N 0 1 320.393 1.866 20 5 DDBDMN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330579870 410795168 /nfs/dbraw/zinc/79/51/68/410795168.db2.gz IHOMCXCZHJJCMT-OLZOCXBDSA-N 0 1 320.393 1.948 20 5 DDBDMN C[C@H]1[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330647657 410847223 /nfs/dbraw/zinc/84/72/23/410847223.db2.gz ZRWQHQLOOIBENL-RYUDHWBXSA-N 0 1 307.350 1.525 20 5 DDBDMN O=C(NCc1cn2ccccc2n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356358557 410985195 /nfs/dbraw/zinc/98/51/95/410985195.db2.gz KCABVTBQOGTHCK-UHFFFAOYSA-N 0 1 312.285 1.878 20 5 DDBDMN Cc1cc(OCC(=O)N2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331208984 411020556 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DDBDMN CC(C)(N)c1noc(COc2ccc([N+](=O)[O-])c(CO)c2)n1 ZINC000574200343 422075875 /nfs/dbraw/zinc/07/58/75/422075875.db2.gz RCXWSVROXRDKOV-UHFFFAOYSA-N 0 1 308.294 1.243 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)n1 ZINC000578326420 422546925 /nfs/dbraw/zinc/54/69/25/422546925.db2.gz VQRNPHUEOAHVCY-UHFFFAOYSA-N 0 1 322.365 2.283 20 5 DDBDMN C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000341533593 271109755 /nfs/dbraw/zinc/10/97/55/271109755.db2.gz WMKDGVCULIRIQB-SECBINFHSA-N 0 1 303.322 1.868 20 5 DDBDMN COc1ccc(NC(=O)[C@@H](C)Sc2c[nH]nn2)c([N+](=O)[O-])c1 ZINC000342107369 271298223 /nfs/dbraw/zinc/29/82/23/271298223.db2.gz BYUZAEPNCLPRAX-SSDOTTSWSA-N 0 1 323.334 1.841 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000345916002 272364905 /nfs/dbraw/zinc/36/49/05/272364905.db2.gz YZAZCAXIQRZOND-OLZOCXBDSA-N 0 1 320.393 1.948 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345995708 272385179 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Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601342811 358507893 /nfs/dbraw/zinc/50/78/93/358507893.db2.gz GDCMRTJYLAAHLD-BDAKNGLRSA-N 0 1 319.408 1.336 20 5 DDBDMN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000595780021 356649626 /nfs/dbraw/zinc/64/96/26/356649626.db2.gz BPKBXBNZYIBNQE-UHFFFAOYSA-N 0 1 307.350 1.528 20 5 DDBDMN CN(C(=O)CN[C@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595782208 356650813 /nfs/dbraw/zinc/65/08/13/356650813.db2.gz OPQDLZMFNXERAT-KBPBESRZSA-N 0 1 319.361 1.451 20 5 DDBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H]1C ZINC000347202610 283207225 /nfs/dbraw/zinc/20/72/25/283207225.db2.gz KTMUWLZPDKJMIW-JQWIXIFHSA-N 0 1 308.334 1.987 20 5 DDBDMN COCC(C)(C)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596282002 356843834 /nfs/dbraw/zinc/84/38/34/356843834.db2.gz YAWJTRXMRWQSBR-UHFFFAOYSA-N 0 1 309.370 1.119 20 5 DDBDMN COCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000596460040 356887654 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CC1 ZINC000601448840 358558074 /nfs/dbraw/zinc/55/80/74/358558074.db2.gz PTCDZINMAPFIFV-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000609269455 360286200 /nfs/dbraw/zinc/28/62/00/360286200.db2.gz QZNBVVCFFCBFAW-LLVKDONJSA-N 0 1 313.379 1.497 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000610240010 360395805 /nfs/dbraw/zinc/39/58/05/360395805.db2.gz VBYPZTSXGDZLIX-CYBMUJFWSA-N 0 1 321.377 1.744 20 5 DDBDMN CNC(=O)c1ccc(N2CCc3cn[nH]c3C2)c([N+](=O)[O-])c1 ZINC000611006255 360598449 /nfs/dbraw/zinc/59/84/49/360598449.db2.gz BUIJKNAGSULABN-UHFFFAOYSA-N 0 1 301.306 1.240 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c[nH]nc3C2)c1[N+](=O)[O-] ZINC000611011634 360602020 /nfs/dbraw/zinc/60/20/20/360602020.db2.gz DJDZUHGLZHALKJ-UHFFFAOYSA-N 0 1 304.310 1.363 20 5 DDBDMN CN1CCC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000611513694 360742685 /nfs/dbraw/zinc/74/26/85/360742685.db2.gz WGFKQGQMDFWOSL-JTQLQIEISA-N 0 1 307.306 1.148 20 5 DDBDMN CCOC(=O)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000611559025 360760048 /nfs/dbraw/zinc/76/00/48/360760048.db2.gz WSXRVXKNFMIVFT-UHFFFAOYSA-N 0 1 322.317 1.858 20 5 DDBDMN C[C@H](O)[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611561473 360760858 /nfs/dbraw/zinc/76/08/58/360760858.db2.gz JKYVDYALLWVJPW-QWRGUYRKSA-N 0 1 308.334 1.569 20 5 DDBDMN O=C(NN1CCCCC1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000263707884 284014211 /nfs/dbraw/zinc/01/42/11/284014211.db2.gz BKRUJWNDGVTBDK-UHFFFAOYSA-N 0 1 308.250 1.160 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@H]2C1 ZINC000274990530 212062280 /nfs/dbraw/zinc/06/22/80/212062280.db2.gz YVTSWQHEOJSUCI-MFKMUULPSA-N 0 1 305.334 1.467 20 5 DDBDMN Cc1c(NC(=O)NC[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000264599945 204021100 /nfs/dbraw/zinc/02/11/00/204021100.db2.gz BHGXGTJOXGTKNZ-LBPRGKRZSA-N 0 1 321.381 1.271 20 5 DDBDMN CCN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288285861 220064319 /nfs/dbraw/zinc/06/43/19/220064319.db2.gz GOGRYCBOZDYJQB-GFCCVEGCSA-N 0 1 306.366 1.559 20 5 DDBDMN O=C([O-])c1ccnc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000579479456 422777708 /nfs/dbraw/zinc/77/77/08/422777708.db2.gz RCSLQLLSGJHXJF-MRVPVSSYSA-N 0 1 303.278 1.311 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(C)CC1 ZINC000330746029 291601588 /nfs/dbraw/zinc/60/15/88/291601588.db2.gz FMXILAGMLCQADY-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN CNc1c(C(=O)N[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000336860617 249269241 /nfs/dbraw/zinc/26/92/41/249269241.db2.gz SOWXHAZUHRGCDQ-JTQLQIEISA-N 0 1 304.350 1.603 20 5 DDBDMN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000284018676 217850271 /nfs/dbraw/zinc/85/02/71/217850271.db2.gz JKENJJDDDDSVJZ-SNVBAGLBSA-N 0 1 318.337 1.924 20 5 DDBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284931016 218240495 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DDBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000120549035 195188354 /nfs/dbraw/zinc/18/83/54/195188354.db2.gz NFQPZUUGNMGDEL-OCCSQVGLSA-N 0 1 305.378 1.936 20 5 DDBDMN Cc1ccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)nc1 ZINC001120488251 781978786 /nfs/dbraw/zinc/97/87/86/781978786.db2.gz VNIYOZRNJKWABB-HNNXBMFYSA-N 0 1 317.345 1.828 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCN(CCO)C[C@@H]1C ZINC000452112975 533219539 /nfs/dbraw/zinc/21/95/39/533219539.db2.gz HSMUYODBAGPXBE-LBPRGKRZSA-N 0 1 309.366 1.102 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000568348041 304286643 /nfs/dbraw/zinc/28/66/43/304286643.db2.gz KGCCLERXUPLGGP-LBPRGKRZSA-N 0 1 321.312 1.490 20 5 DDBDMN Cc1ccc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000250920874 292179957 /nfs/dbraw/zinc/17/99/57/292179957.db2.gz NBGFUDNWZRUNMA-WDEREUQCSA-N 0 1 313.379 1.274 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C(C)C)CC1 ZINC000045772053 407048804 /nfs/dbraw/zinc/04/88/04/407048804.db2.gz JEBQDWFQXFJCAT-UHFFFAOYSA-N 0 1 320.393 1.868 20 5 DDBDMN Cc1[nH]ncc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000038012280 406997177 /nfs/dbraw/zinc/99/71/77/406997177.db2.gz TUHWXHROKQLFNH-UHFFFAOYSA-N 0 1 310.335 1.413 20 5 DDBDMN Nc1nc(NCCN2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000097474148 407298518 /nfs/dbraw/zinc/29/85/18/407298518.db2.gz RRPAIBJHGZHXLW-UHFFFAOYSA-N 0 1 314.349 1.437 20 5 DDBDMN Cn1ccnc1C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123722109 407336975 /nfs/dbraw/zinc/33/69/75/407336975.db2.gz GIWNPGBYNHRANB-CYBMUJFWSA-N 0 1 318.381 1.480 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(C)CC1(C)C ZINC000271076799 407503596 /nfs/dbraw/zinc/50/35/96/407503596.db2.gz XFDZWTCUAMUWNQ-UHFFFAOYSA-N 0 1 320.393 1.868 20 5 DDBDMN C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151487449 407445450 /nfs/dbraw/zinc/44/54/50/407445450.db2.gz ZZSZYPRCOVNPTF-LLVKDONJSA-N 0 1 323.349 1.141 20 5 DDBDMN C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000171010736 407573731 /nfs/dbraw/zinc/57/37/31/407573731.db2.gz FINBCMUNIVSGCU-VIFPVBQESA-N 0 1 304.306 1.722 20 5 DDBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCNC2=O)cc1[N+](=O)[O-] ZINC000178689487 407549156 /nfs/dbraw/zinc/54/91/56/407549156.db2.gz OCOGTYXTYYDQTQ-MNOVXSKESA-N 0 1 320.349 1.494 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186687444 407743772 /nfs/dbraw/zinc/74/37/72/407743772.db2.gz BPXUSMKUXCGTKN-INIZCTEOSA-N 0 1 314.345 1.923 20 5 DDBDMN CN(CC1(CO)CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186785031 407768328 /nfs/dbraw/zinc/76/83/28/407768328.db2.gz XPZOUEPNCITEKX-AWEZNQCLSA-N 0 1 319.361 1.404 20 5 DDBDMN CN(CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccc(F)cc1 ZINC000267310731 407830643 /nfs/dbraw/zinc/83/06/43/407830643.db2.gz ZULYRODSMPJVGF-UHFFFAOYSA-N 0 1 320.324 1.924 20 5 DDBDMN COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1C ZINC000117424941 407835027 /nfs/dbraw/zinc/83/50/27/407835027.db2.gz BSFONNNAGBKJQK-NSHDSACASA-N 0 1 323.349 1.093 20 5 DDBDMN COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1C ZINC000117424941 407835033 /nfs/dbraw/zinc/83/50/33/407835033.db2.gz BSFONNNAGBKJQK-NSHDSACASA-N 0 1 323.349 1.093 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000262695860 407903240 /nfs/dbraw/zinc/90/32/40/407903240.db2.gz XNBUPOKQNVLPEH-NSHDSACASA-N 0 1 321.333 1.720 20 5 DDBDMN CCOc1cc(N2CCN(C[C@@H](O)CC)CC2)ccc1[N+](=O)[O-] ZINC000174916008 408004906 /nfs/dbraw/zinc/00/49/06/408004906.db2.gz NEZOUEJQNGRPSI-AWEZNQCLSA-N 0 1 323.393 1.886 20 5 DDBDMN COCCN(Cc1ccc(C)o1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000268358502 408010009 /nfs/dbraw/zinc/01/00/09/408010009.db2.gz LDWLBHMEHBAYKX-UHFFFAOYSA-N 0 1 322.321 1.817 20 5 DDBDMN C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1CO ZINC000189438408 408017256 /nfs/dbraw/zinc/01/72/56/408017256.db2.gz YIZPODIXTZOFQZ-QPUJVOFHSA-N 0 1 304.306 1.314 20 5 DDBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000136006982 408067579 /nfs/dbraw/zinc/06/75/79/408067579.db2.gz IPTCHTQBXGIIKE-JTQLQIEISA-N 0 1 303.322 1.573 20 5 DDBDMN CNC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000246253234 408194351 /nfs/dbraw/zinc/19/43/51/408194351.db2.gz TXNAAEADHMYQQJ-GHMZBOCLSA-N 0 1 322.365 1.236 20 5 DDBDMN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000121334978 408186966 /nfs/dbraw/zinc/18/69/66/408186966.db2.gz BQMVFNVKWDTKBD-QMMMGPOBSA-N 0 1 308.269 1.654 20 5 DDBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCSc1cn[nH]n1 ZINC000155986486 408229849 /nfs/dbraw/zinc/22/98/49/408229849.db2.gz OJYDXJWPNCJFJJ-UHFFFAOYSA-N 0 1 321.318 1.803 20 5 DDBDMN Cc1ccc(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000273643142 408277460 /nfs/dbraw/zinc/27/74/60/408277460.db2.gz YHZHHKYAFAMTBY-UHFFFAOYSA-N 0 1 315.377 1.922 20 5 DDBDMN CN(C)[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264030245 408349784 /nfs/dbraw/zinc/34/97/84/408349784.db2.gz RYTZDPNNIDMOCS-JTQLQIEISA-N 0 1 313.379 1.139 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000269601107 408356331 /nfs/dbraw/zinc/35/63/31/408356331.db2.gz LAJXGRCMKSCTSW-HZGVNTEJSA-N 0 1 322.243 1.154 20 5 DDBDMN Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000183425006 408408196 /nfs/dbraw/zinc/40/81/96/408408196.db2.gz CYKFEFCDUQKEJZ-VIFPVBQESA-N 0 1 304.310 1.292 20 5 DDBDMN Cc1c(CC(=O)N2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000161111865 408562416 /nfs/dbraw/zinc/56/24/16/408562416.db2.gz BGXBPJRKYDMNMU-UHFFFAOYSA-N 0 1 305.378 1.998 20 5 DDBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000248612214 408598174 /nfs/dbraw/zinc/59/81/74/408598174.db2.gz XRUSATMTVTWWKQ-DRZSPHRISA-N 0 1 308.338 1.509 20 5 DDBDMN CCOc1cccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000161470639 408604267 /nfs/dbraw/zinc/60/42/67/408604267.db2.gz SUIIYANQNBCRGL-UHFFFAOYSA-N 0 1 304.306 1.689 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270722756 408653437 /nfs/dbraw/zinc/65/34/37/408653437.db2.gz IFZFABWKLBWVSK-MRVPVSSYSA-N 0 1 321.341 1.219 20 5 DDBDMN COc1cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1[N+](=O)[O-] ZINC000162052342 408666359 /nfs/dbraw/zinc/66/63/59/408666359.db2.gz CQEJCRWBBJPFSP-VIFPVBQESA-N 0 1 318.333 1.996 20 5 DDBDMN COC[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000275978419 408738581 /nfs/dbraw/zinc/73/85/81/408738581.db2.gz LWWKKOXIZOCKBJ-NOZJJQNGSA-N 0 1 310.306 1.176 20 5 DDBDMN CC(C)C[C@@H](CO)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000185311917 408794194 /nfs/dbraw/zinc/79/41/94/408794194.db2.gz RSTQQFAUUHFCAQ-HNNXBMFYSA-N 0 1 323.393 1.896 20 5 DDBDMN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000249737610 408758740 /nfs/dbraw/zinc/75/87/40/408758740.db2.gz GDHHXCFIRXVDHA-MNOVXSKESA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000249737610 408758743 /nfs/dbraw/zinc/75/87/43/408758743.db2.gz GDHHXCFIRXVDHA-MNOVXSKESA-N 0 1 322.365 1.546 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C[NH+]1CCCCC1)C(=O)[O-] ZINC000277412983 408935495 /nfs/dbraw/zinc/93/54/95/408935495.db2.gz SMKQKIFFAUITLC-HNNXBMFYSA-N 0 1 321.377 1.932 20 5 DDBDMN Cc1csc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000184281732 306713649 /nfs/dbraw/zinc/71/36/49/306713649.db2.gz SIMKEBURZGWMCS-SNVBAGLBSA-N 0 1 308.363 1.872 20 5 DDBDMN CCCc1n[nH]c(C(=O)N[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000286333933 408965934 /nfs/dbraw/zinc/96/59/34/408965934.db2.gz KKHUPFLFXVXZER-ZCFIWIBFSA-N 0 1 307.314 1.188 20 5 DDBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000292247478 409009717 /nfs/dbraw/zinc/00/97/17/409009717.db2.gz XKWDKKCJAABYRE-UHFFFAOYSA-N 0 1 319.361 1.331 20 5 DDBDMN CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000287492326 409044511 /nfs/dbraw/zinc/04/45/11/409044511.db2.gz SUVKTXNUCBYASP-GFCCVEGCSA-N 0 1 321.377 1.577 20 5 DDBDMN CC[C@@H](C)N(CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000287492326 409044513 /nfs/dbraw/zinc/04/45/13/409044513.db2.gz SUVKTXNUCBYASP-GFCCVEGCSA-N 0 1 321.377 1.577 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)OC)c1[N+](=O)[O-] ZINC000278023585 409052948 /nfs/dbraw/zinc/05/29/48/409052948.db2.gz UBMDVIZEXYMBOV-PSASIEDQSA-N 0 1 324.337 1.294 20 5 DDBDMN C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000279303761 409188441 /nfs/dbraw/zinc/18/84/41/409188441.db2.gz MREQZMWTPVCHBO-NSHDSACASA-N 0 1 323.349 1.093 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](CN3CCOCC3)C2)nc1 ZINC000283364357 409144636 /nfs/dbraw/zinc/14/46/36/409144636.db2.gz CEIRGMNLNDSMBU-ZDUSSCGKSA-N 0 1 306.366 1.538 20 5 DDBDMN Cc1c(C[N@@H+]2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466457 409277539 /nfs/dbraw/zinc/27/75/39/409277539.db2.gz QPLPLBSECSBTNL-GFCCVEGCSA-N 0 1 317.349 1.694 20 5 DDBDMN Cc1c(C[N@H+]2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cccc1[N+](=O)[O-] ZINC000289466457 409277543 /nfs/dbraw/zinc/27/75/43/409277543.db2.gz QPLPLBSECSBTNL-GFCCVEGCSA-N 0 1 317.349 1.694 20 5 DDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000284417019 409341916 /nfs/dbraw/zinc/34/19/16/409341916.db2.gz OGAWNJMALYZFLG-NSHDSACASA-N 0 1 319.296 1.847 20 5 DDBDMN CN1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000284571797 409351713 /nfs/dbraw/zinc/35/17/13/409351713.db2.gz OKWSUCKTVFRBON-NEPJUHHUSA-N 0 1 312.757 1.553 20 5 DDBDMN CN1CCN(C)[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000320812487 164043117 /nfs/dbraw/zinc/04/31/17/164043117.db2.gz LEFNVMALUGXGOS-GFCCVEGCSA-N 0 1 315.377 1.801 20 5 DDBDMN O=C(NCCc1ccc2c[nH]nc2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000356691573 409526892 /nfs/dbraw/zinc/52/68/92/409526892.db2.gz QUOWRSOTDIMNSF-UHFFFAOYSA-N 0 1 300.278 1.167 20 5 DDBDMN O=C(NCc1ccnc(OC(F)F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000356977910 409761808 /nfs/dbraw/zinc/76/18/08/409761808.db2.gz IATFMBBTRKGTCI-UHFFFAOYSA-N 0 1 313.220 1.244 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000331691109 409771990 /nfs/dbraw/zinc/77/19/90/409771990.db2.gz YEICJHFQVYKQMA-NWDGAFQWSA-N 0 1 316.317 1.574 20 5 DDBDMN CN1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342874088 409966247 /nfs/dbraw/zinc/96/62/47/409966247.db2.gz LBCQJIIGJRFUDP-UHFFFAOYSA-N 0 1 302.334 1.854 20 5 DDBDMN C[C@@]1(CO)CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354865297 410136303 /nfs/dbraw/zinc/13/63/03/410136303.db2.gz ZKRDSGIVGDFKJQ-WFASDCNBSA-N 0 1 318.333 1.752 20 5 DDBDMN CC(C)C[C@H](N)c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000339395630 410156510 /nfs/dbraw/zinc/15/65/10/410156510.db2.gz LMQUMBPEZSEIQV-JTQLQIEISA-N 0 1 307.310 1.234 20 5 DDBDMN CCN(C)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351973973 410382555 /nfs/dbraw/zinc/38/25/55/410382555.db2.gz FLGUUQALNLZDME-UHFFFAOYSA-N 0 1 315.395 1.442 20 5 DDBDMN CC(C)N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299123309 410533415 /nfs/dbraw/zinc/53/34/15/410533415.db2.gz WITNMEHMDIOIBD-UHFFFAOYSA-N 0 1 320.393 1.873 20 5 DDBDMN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000343564099 410535320 /nfs/dbraw/zinc/53/53/20/410535320.db2.gz GYRQCJLANSYZLP-NSHDSACASA-N 0 1 308.338 1.300 20 5 DDBDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000343564099 410535323 /nfs/dbraw/zinc/53/53/23/410535323.db2.gz GYRQCJLANSYZLP-NSHDSACASA-N 0 1 308.338 1.300 20 5 DDBDMN Cc1nn(C)c(NC[C@H]2CN(CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000301301613 410695604 /nfs/dbraw/zinc/69/56/04/410695604.db2.gz VMOVOTXSQLLLGR-LBPRGKRZSA-N 0 1 311.386 1.405 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](CO)c1cccc(F)c1 ZINC000359529891 410710648 /nfs/dbraw/zinc/71/06/48/410710648.db2.gz LLFSZBFHOVZPHU-AWEZNQCLSA-N 0 1 321.308 1.219 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337377693 410744758 /nfs/dbraw/zinc/74/47/58/410744758.db2.gz BVACXJHVOZRRKW-WPRPVWTQSA-N 0 1 304.297 1.968 20 5 DDBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)Nc1cccnc1 ZINC000356505495 411062078 /nfs/dbraw/zinc/06/20/78/411062078.db2.gz PCBRMUWCJLLMKW-UHFFFAOYSA-N 0 1 316.273 1.064 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)Nc2nn3cnnc3s2)c1[N+](=O)[O-] ZINC000610924015 416661343 /nfs/dbraw/zinc/66/13/43/416661343.db2.gz PRGHPJFHHHNGQD-UHFFFAOYSA-N 0 1 322.310 1.193 20 5 DDBDMN Cc1cnccc1OC1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000373918692 418471604 /nfs/dbraw/zinc/47/16/04/418471604.db2.gz RTBYDQNLHSCXBS-STQMWFEESA-N 0 1 305.334 1.425 20 5 DDBDMN COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000360665150 418487615 /nfs/dbraw/zinc/48/76/15/418487615.db2.gz WEYSHGWLGDVUAK-VCTAVGKDSA-N 0 1 320.345 1.685 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CN1CCN(C)CC1 ZINC000360897598 418544115 /nfs/dbraw/zinc/54/41/15/418544115.db2.gz TZCXVDBORHNYHS-LLVKDONJSA-N 0 1 310.402 1.167 20 5 DDBDMN C[C@H]1CN(CCN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000367049122 418554974 /nfs/dbraw/zinc/55/49/74/418554974.db2.gz CDRHCSVDMYKJBM-KBPBESRZSA-N 0 1 323.397 1.149 20 5 DDBDMN COCC[C@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291126147 222156884 /nfs/dbraw/zinc/15/68/84/222156884.db2.gz DNCKPECFYRANBX-NSHDSACASA-N 0 1 310.306 1.178 20 5 DDBDMN COc1ccc(CN(CCO)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000361563855 418678389 /nfs/dbraw/zinc/67/83/89/418678389.db2.gz LMIMPQYUSNQCTM-AAEUAGOBSA-N 0 1 310.350 1.575 20 5 DDBDMN O=C(CN1CC[C@H]([C@H]2CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371232285 418770750 /nfs/dbraw/zinc/77/07/50/418770750.db2.gz ROBIQQXDXUMAES-STQMWFEESA-N 0 1 319.361 1.892 20 5 DDBDMN Cc1ccc(F)c(N2CCC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000364732493 418805446 /nfs/dbraw/zinc/80/54/46/418805446.db2.gz YSLLDOPBONLAJV-OBJOEFQTSA-N 0 1 321.352 1.884 20 5 DDBDMN Cc1ccc(N2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000364792177 418811225 /nfs/dbraw/zinc/81/12/25/418811225.db2.gz CRSKZCUNBBWHSF-QWHCGFSZSA-N 0 1 304.350 1.140 20 5 DDBDMN CCc1ccc([C@@H]2CN(C(=O)[C@H]3CC3[N+](=O)[O-])CCO2)cc1 ZINC000365143214 418838700 /nfs/dbraw/zinc/83/87/00/418838700.db2.gz VCEULSUPUFOXMS-ZNMIVQPWSA-N 0 1 304.346 1.814 20 5 DDBDMN COc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000411947661 419513662 /nfs/dbraw/zinc/51/36/62/419513662.db2.gz UFBRCDAFXYVBLN-LBPRGKRZSA-N 0 1 307.350 1.514 20 5 DDBDMN O=C(NCCCOC[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428014649 419788657 /nfs/dbraw/zinc/78/86/57/419788657.db2.gz AQFDLNGMQPRNHY-LLVKDONJSA-N 0 1 324.333 1.473 20 5 DDBDMN Cc1[nH]nc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1[N+](=O)[O-] ZINC000428039304 419796309 /nfs/dbraw/zinc/79/63/09/419796309.db2.gz QYEQVTDJTUMWKT-UHFFFAOYSA-N 0 1 304.241 1.894 20 5 DDBDMN COCC1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000432733349 229124504 /nfs/dbraw/zinc/12/45/04/229124504.db2.gz CWGWVHDEQNYDHT-CYBMUJFWSA-N 0 1 310.350 1.303 20 5 DDBDMN COC[C@H](C)n1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000428771598 419930555 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O=C1OCCN1C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000497293698 421402629 /nfs/dbraw/zinc/40/26/29/421402629.db2.gz AMIBHPJJIUYUTH-LBPRGKRZSA-N 0 1 305.334 1.869 20 5 DDBDMN C[C@H]1CN(CCO)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000562705931 421402697 /nfs/dbraw/zinc/40/26/97/421402697.db2.gz CVANVLJFIBJGNR-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN O=C([O-])C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000514730081 421450703 /nfs/dbraw/zinc/45/07/03/421450703.db2.gz NSDQSXWQKZUUFU-WCQYABFASA-N 0 1 324.333 1.274 20 5 DDBDMN CO[C@@H]1C[C@@H](C(=O)[O-])[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570286751 421635227 /nfs/dbraw/zinc/63/52/27/421635227.db2.gz NQCDOGGESDMZGI-OLZOCXBDSA-N 0 1 310.306 1.148 20 5 DDBDMN CO[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570286751 421635230 /nfs/dbraw/zinc/63/52/30/421635230.db2.gz NQCDOGGESDMZGI-OLZOCXBDSA-N 0 1 310.306 1.148 20 5 DDBDMN C[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000518189695 421643551 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O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000370215772 301296178 /nfs/dbraw/zinc/29/61/78/301296178.db2.gz MEUFXRMNQUZUKZ-RTXFEEFZSA-N 0 1 309.753 1.700 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2noc(C(F)F)n2)CC1 ZINC000376033240 302027988 /nfs/dbraw/zinc/02/79/88/302027988.db2.gz CHQBTLAAVLSPNL-SFYZADRCSA-N 0 1 316.264 1.378 20 5 DDBDMN Nc1c(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc(F)cc1[N+](=O)[O-] ZINC000378202177 302292153 /nfs/dbraw/zinc/29/21/53/302292153.db2.gz OHJUDAXDGBDBEF-QMMMGPOBSA-N 0 1 319.296 1.327 20 5 DDBDMN CCN1CCN(CC(C)(C)Nc2ncccc2[N+](=O)[O-])CC1 ZINC000450923246 302398601 /nfs/dbraw/zinc/39/86/01/302398601.db2.gz QFZLSKPBRMZCPP-UHFFFAOYSA-N 0 1 307.398 1.818 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000533015682 303305320 /nfs/dbraw/zinc/30/53/20/303305320.db2.gz OGSVLWZBDRCCEM-VHSXEESVSA-N 0 1 310.354 1.674 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000539326543 303394913 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C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496133455 307327755 /nfs/dbraw/zinc/32/77/55/307327755.db2.gz MMCAIKRVSDJURC-GMTAPVOTSA-N 0 1 315.370 1.461 20 5 DDBDMN COC(=O)N1CCC(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000497019898 307376133 /nfs/dbraw/zinc/37/61/33/307376133.db2.gz UHRKYIRYBNOTAC-UHFFFAOYSA-N 0 1 311.294 1.558 20 5 DDBDMN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](C)OC ZINC000570044497 308157340 /nfs/dbraw/zinc/15/73/40/308157340.db2.gz NMQSZHNICWJOAW-MRVPVSSYSA-N 0 1 303.340 1.413 20 5 DDBDMN C[C@@](O)(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000576838258 308343965 /nfs/dbraw/zinc/34/39/65/308343965.db2.gz KTQFUSBKGDVAFZ-SWLSCSKDSA-N 0 1 308.334 1.610 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425067932 534631528 /nfs/dbraw/zinc/63/15/28/534631528.db2.gz SMSRSDPVBMZTFV-JTQLQIEISA-N 0 1 317.305 1.108 20 5 DDBDMN O=C(NC[C@H]1CCCN1CCCO)c1ccc([N+](=O)[O-])s1 ZINC000452348347 534641621 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O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](N2CCC2)C1 ZINC000912920374 713124630 /nfs/dbraw/zinc/12/46/30/713124630.db2.gz UQZRHTDTZWTZEK-LBPRGKRZSA-N 0 1 314.345 1.996 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000910362570 709909721 /nfs/dbraw/zinc/90/97/21/709909721.db2.gz INOVCDKTOHCEMN-CABZTGNLSA-N 0 1 322.365 1.773 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@H+](C)C(C)(C)C2)n1 ZINC000910378448 709915360 /nfs/dbraw/zinc/91/53/60/709915360.db2.gz OWCCPRNBRYRGBT-UHFFFAOYSA-N 0 1 308.338 1.527 20 5 DDBDMN C[N@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1CO ZINC000894880821 711306947 /nfs/dbraw/zinc/30/69/47/711306947.db2.gz GTIDVIWOVZCNSY-LLVKDONJSA-N 0 1 302.334 1.256 20 5 DDBDMN CN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C[C@@H]1CO ZINC000894880821 711306950 /nfs/dbraw/zinc/30/69/50/711306950.db2.gz GTIDVIWOVZCNSY-LLVKDONJSA-N 0 1 302.334 1.256 20 5 DDBDMN COc1c(O)ccc(CN2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000894940590 711330064 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CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1nccs1 ZINC000185122759 408760749 /nfs/dbraw/zinc/76/07/49/408760749.db2.gz FTHNJMOMPJZHOV-LLVKDONJSA-N 0 1 308.363 1.954 20 5 DDBDMN COC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756987 408771316 /nfs/dbraw/zinc/77/13/16/408771316.db2.gz GITOOJMKOJQUNZ-VXGBXAGGSA-N 0 1 307.350 1.890 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185156974 408771980 /nfs/dbraw/zinc/77/19/80/408771980.db2.gz HETOECIYCUCGND-INIZCTEOSA-N 0 1 322.361 1.855 20 5 DDBDMN CCCC[N@H+](C)C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290776147 408831324 /nfs/dbraw/zinc/83/13/24/408831324.db2.gz CBBFMGCYMLBKQR-JTQLQIEISA-N 0 1 310.354 1.546 20 5 DDBDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290776147 408831326 /nfs/dbraw/zinc/83/13/26/408831326.db2.gz CBBFMGCYMLBKQR-JTQLQIEISA-N 0 1 310.354 1.546 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194534720 163287019 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Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000284262837 409306549 /nfs/dbraw/zinc/30/65/49/409306549.db2.gz DJDJXLGOJRCAQZ-SSDOTTSWSA-N 0 1 321.312 1.709 20 5 DDBDMN C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)C1 ZINC000295642030 409359178 /nfs/dbraw/zinc/35/91/78/409359178.db2.gz QUZPNDQGUFOSSN-OAHLLOKOSA-N 0 1 320.349 1.253 20 5 DDBDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)C1 ZINC000295642030 409359184 /nfs/dbraw/zinc/35/91/84/409359184.db2.gz QUZPNDQGUFOSSN-OAHLLOKOSA-N 0 1 320.349 1.253 20 5 DDBDMN CCOc1cccc(N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284995657 409392234 /nfs/dbraw/zinc/39/22/34/409392234.db2.gz LREHYTSGIHXJDQ-KBPBESRZSA-N 0 1 321.377 1.903 20 5 DDBDMN CC(C)N(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1COC1 ZINC000295524769 409330199 /nfs/dbraw/zinc/33/01/99/409330199.db2.gz UXHVKJXAAKGJDT-CQSZACIVSA-N 0 1 310.350 1.444 20 5 DDBDMN O=C(Cc1ccccc1[N+](=O)[O-])NCc1n[nH]c(C2CC2)n1 ZINC000295323547 409435761 /nfs/dbraw/zinc/43/57/61/409435761.db2.gz DECAZTCSNLNQCL-UHFFFAOYSA-N 0 1 301.306 1.449 20 5 DDBDMN COCCOCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000290566359 409446194 /nfs/dbraw/zinc/44/61/94/409446194.db2.gz GEWWWABOFMVUMD-UHFFFAOYSA-N 0 1 322.321 1.206 20 5 DDBDMN Cc1cc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000285516455 409474525 /nfs/dbraw/zinc/47/45/25/409474525.db2.gz GIQXWQLZTHUQKO-JTQLQIEISA-N 0 1 304.306 1.964 20 5 DDBDMN C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408158927 164245709 /nfs/dbraw/zinc/24/57/09/164245709.db2.gz NGWVQAOBYQPVRY-WCQYABFASA-N 0 1 319.361 1.999 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000331486251 409565093 /nfs/dbraw/zinc/56/50/93/409565093.db2.gz OVCAISGISQCHNL-NSHDSACASA-N 0 1 318.337 1.727 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000356776752 409594242 /nfs/dbraw/zinc/59/42/42/409594242.db2.gz PWOYCUIKANAYFY-GHMZBOCLSA-N 0 1 306.318 1.799 20 5 DDBDMN CCN1C[C@H](C)N(c2ccc(C(=O)NC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345167196 409651903 /nfs/dbraw/zinc/65/19/03/409651903.db2.gz XVMKPUBDQJDZCV-RYUDHWBXSA-N 0 1 320.393 1.873 20 5 DDBDMN O=[N+]([O-])c1ncn(Cc2nc(-c3ccc4[nH]cnc4c3)no2)n1 ZINC000356967538 409753202 /nfs/dbraw/zinc/75/32/02/409753202.db2.gz CRLDRWNYQHODBC-UHFFFAOYSA-N 0 1 312.249 1.161 20 5 DDBDMN Cc1ccn(C)c(=O)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356991311 409773413 /nfs/dbraw/zinc/77/34/13/409773413.db2.gz WDUBISUEHWNBIC-UHFFFAOYSA-N 0 1 303.274 1.560 20 5 DDBDMN CC(C)c1nc(CNC(=O)Nc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000297818640 410012254 /nfs/dbraw/zinc/01/22/54/410012254.db2.gz QJWSMQGCYCTRTD-UHFFFAOYSA-N 0 1 305.298 1.553 20 5 DDBDMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350911927 410013624 /nfs/dbraw/zinc/01/36/24/410013624.db2.gz UZOVTCXTVZJMJV-RKDXNWHRSA-N 0 1 306.326 1.751 20 5 DDBDMN COc1nc(C)cc(C)c1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343298843 410328112 /nfs/dbraw/zinc/32/81/12/410328112.db2.gz AISTXTPLBUKHKH-UHFFFAOYSA-N 0 1 305.294 1.268 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1C ZINC000346997053 410300148 /nfs/dbraw/zinc/30/01/48/410300148.db2.gz CBNQOEATZXNIOC-ZYHUDNBSSA-N 0 1 308.334 1.987 20 5 DDBDMN C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])[n-]3)n1)OC2 ZINC000347343732 410484711 /nfs/dbraw/zinc/48/47/11/410484711.db2.gz SSYNBEYMYRCTFS-QMTHXVAHSA-N 0 1 319.321 1.899 20 5 DDBDMN C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc([N+](=O)[O-])[n-]3)n1)OC2 ZINC000347343732 410484718 /nfs/dbraw/zinc/48/47/18/410484718.db2.gz SSYNBEYMYRCTFS-QMTHXVAHSA-N 0 1 319.321 1.899 20 5 DDBDMN CCC[C@@]1(C)C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330445138 410695309 /nfs/dbraw/zinc/69/53/09/410695309.db2.gz CUGHHOOYDSTFFQ-HNNXBMFYSA-N 0 1 307.350 1.791 20 5 DDBDMN CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000355878099 410716251 /nfs/dbraw/zinc/71/62/51/410716251.db2.gz HKNDKCXSAQPTMX-GFCCVEGCSA-N 0 1 305.334 1.609 20 5 DDBDMN COC(=O)COc1ccc(CN2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000355762813 410683295 /nfs/dbraw/zinc/68/32/95/410683295.db2.gz TTZKHGGXFZLWHU-OAHLLOKOSA-N 0 1 324.333 1.103 20 5 DDBDMN CN(Cc1nnc[nH]1)c1ncc([N+](=O)[O-])cc1Br ZINC000301598800 410752273 /nfs/dbraw/zinc/75/22/73/410752273.db2.gz XVLKGIQORICCKD-UHFFFAOYSA-N 0 1 313.115 1.507 20 5 DDBDMN COc1ncccc1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359700425 410825580 /nfs/dbraw/zinc/82/55/80/410825580.db2.gz HERQWEOLWKPSJW-UHFFFAOYSA-N 0 1 317.301 1.677 20 5 DDBDMN C[C@H]1CN(C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330676362 410870524 /nfs/dbraw/zinc/87/05/24/410870524.db2.gz UHCPHSOIBNHLIM-NSHDSACASA-N 0 1 317.349 1.781 20 5 DDBDMN Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375130608 418608773 /nfs/dbraw/zinc/60/87/73/418608773.db2.gz JASDOPRWXWDSAK-QWRGUYRKSA-N 0 1 320.349 1.313 20 5 DDBDMN C[N@H+]1CCC[C@@H]2CN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC000391424872 418757048 /nfs/dbraw/zinc/75/70/48/418757048.db2.gz WXTTYUFSEKWULN-ZYHUDNBSSA-N 0 1 320.349 1.609 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(c2ccc(F)cc2)CC1 ZINC000371451576 418792678 /nfs/dbraw/zinc/79/26/78/418792678.db2.gz FYMTVHKJHWQHEW-ZIAGYGMSSA-N 0 1 307.325 1.530 20 5 DDBDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000371563654 418801408 /nfs/dbraw/zinc/80/14/08/418801408.db2.gz OXOXJARFKPXHCV-GFCCVEGCSA-N 0 1 313.273 1.825 20 5 DDBDMN Cc1ccc(F)c(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000364732495 418804843 /nfs/dbraw/zinc/80/48/43/418804843.db2.gz YSLLDOPBONLAJV-SCRDCRAPSA-N 0 1 321.352 1.884 20 5 DDBDMN Cc1nc([C@@H](C)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000411371934 418897522 /nfs/dbraw/zinc/89/75/22/418897522.db2.gz BFSSIRFHLNPMFR-MWLCHTKSSA-N 0 1 317.353 1.664 20 5 DDBDMN C[C@H]1C[C@H](CO)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000420952401 419380937 /nfs/dbraw/zinc/38/09/37/419380937.db2.gz XWDXCUIEEUJJLA-RYUDHWBXSA-N 0 1 322.361 1.912 20 5 DDBDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079913 419635405 /nfs/dbraw/zinc/63/54/05/419635405.db2.gz LKJRHFUZRYJXID-MFKMUULPSA-N 0 1 307.350 1.287 20 5 DDBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428046415 419800117 /nfs/dbraw/zinc/80/01/17/419800117.db2.gz APZZZTUNAOMBPK-UHFFFAOYSA-N 0 1 316.252 1.840 20 5 DDBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434419297 229294234 /nfs/dbraw/zinc/29/42/34/229294234.db2.gz KIHBQOVTGCKKCK-NSHDSACASA-N 0 1 319.365 1.319 20 5 DDBDMN CCC(=O)c1ccc(O)c(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000436831739 420373128 /nfs/dbraw/zinc/37/31/28/420373128.db2.gz GFDIPTKCFGHENU-UHFFFAOYSA-N 0 1 319.277 1.123 20 5 DDBDMN NC(=O)[C@@H]1CCCN1C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302042547 230057962 /nfs/dbraw/zinc/05/79/62/230057962.db2.gz WXOOLKDFBFPMRG-NSHDSACASA-N 0 1 324.406 1.575 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CCCCN1CCO ZINC000450619984 420499793 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O=C(NC1(c2nn[nH]n2)CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC001153872531 864185509 /nfs/dbraw/zinc/18/55/09/864185509.db2.gz QGWASOYYSJNNHX-UHFFFAOYSA-N 0 1 306.257 1.056 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCC(C)(C)N2CCN(C)CC2)n1 ZINC001319756411 866273574 /nfs/dbraw/zinc/27/35/74/866273574.db2.gz WSXPNSHGBDUYJO-UHFFFAOYSA-N 0 1 307.398 1.736 20 5 DDBDMN NCc1nc2cnccc2n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001162220538 867353177 /nfs/dbraw/zinc/35/31/77/867353177.db2.gz UTXTXDDAOYECLH-UHFFFAOYSA-N 0 1 321.300 1.731 20 5 DDBDMN CCOC(=O)c1c(CN)ncn1-c1c(C)cccc1[N+](=O)[O-] ZINC001162537806 867619594 /nfs/dbraw/zinc/61/95/94/867619594.db2.gz UQPGBNFTDFAASS-UHFFFAOYSA-N 0 1 304.306 1.724 20 5 DDBDMN C[C@@H]1COCCN1C1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC001335532540 868366336 /nfs/dbraw/zinc/36/63/36/868366336.db2.gz BRCXQDQUYFENLH-LLVKDONJSA-N 0 1 309.370 1.018 20 5 DDBDMN COCc1nn(-c2nc(Cl)c(C)cc2[N+](=O)[O-])c2c1CNC2 ZINC001165632110 869660363 /nfs/dbraw/zinc/66/03/63/869660363.db2.gz NIOCLAXLTLSATM-UHFFFAOYSA-N 0 1 323.740 1.887 20 5 DDBDMN O=c1ccnc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC001226327767 882355879 /nfs/dbraw/zinc/35/58/79/882355879.db2.gz ZHVJEVMGLOWYJE-VIFPVBQESA-N 0 1 320.280 1.887 20 5 DDBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC001338407682 869964322 /nfs/dbraw/zinc/96/43/22/869964322.db2.gz JKFSYWWCECMEFP-YPMHNXCESA-N 0 1 318.333 1.475 20 5 DDBDMN CC(C)CCC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001339902841 870773433 /nfs/dbraw/zinc/77/34/33/870773433.db2.gz OFIYKKGYQKALKC-CHWSQXEVSA-N 0 1 323.393 1.149 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1nnc[nH]1 ZINC001312363416 871744699 /nfs/dbraw/zinc/74/46/99/871744699.db2.gz ZMFNUEROTLVIAO-UHFFFAOYSA-N 0 1 320.309 1.063 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(c3ccc(F)cc3)C2)c1 ZINC001347926521 874309659 /nfs/dbraw/zinc/30/96/59/874309659.db2.gz KWVNOBCANZBZDB-HNNXBMFYSA-N 0 1 320.324 1.391 20 5 DDBDMN CCN1CCN(C2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC001348455463 874572010 /nfs/dbraw/zinc/57/20/10/874572010.db2.gz STWZHJHFWXSVTD-UHFFFAOYSA-N 0 1 318.377 1.057 20 5 DDBDMN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001349381678 875143424 /nfs/dbraw/zinc/14/34/24/875143424.db2.gz FEEVJXASTFLGNO-NSHDSACASA-N 0 1 321.381 1.417 20 5 DDBDMN C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1C1CCCC1 ZINC001349381678 875143433 /nfs/dbraw/zinc/14/34/33/875143433.db2.gz FEEVJXASTFLGNO-NSHDSACASA-N 0 1 321.381 1.417 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ncnc2nc[nH]c21 ZINC001227531272 883061315 /nfs/dbraw/zinc/06/13/15/883061315.db2.gz GVQMLAZGCCALCO-SSDOTTSWSA-N 0 1 303.282 1.234 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCNC[C@@H]1CO ZINC001358030597 880301969 /nfs/dbraw/zinc/30/19/69/880301969.db2.gz WQUAPCJQUOVVOX-CYBMUJFWSA-N 0 1 315.329 1.154 20 5 DDBDMN COc1cc(CO[C@@H]2C[C@@H]3CC(=O)C[C@H]2N3C)cc([N+](=O)[O-])c1 ZINC001223395736 880944450 /nfs/dbraw/zinc/94/44/50/880944450.db2.gz JKQPXBQCYCSAAD-IUIKQTSFSA-N 0 1 320.345 1.924 20 5 DDBDMN CN1[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])c4nc[nH]c43)[C@H]1CC(=O)C2 ZINC001227693218 883136140 /nfs/dbraw/zinc/13/61/40/883136140.db2.gz OZCVOZBHQGJMRE-JVUFJMBOSA-N 0 1 317.305 1.049 20 5 DDBDMN COC(=O)c1cccc(O[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001227891587 883217117 /nfs/dbraw/zinc/21/71/17/883217117.db2.gz CMMJJQNASPMBBO-CYBMUJFWSA-N 0 1 306.318 1.854 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc(C)nc2[nH]cnc21 ZINC001229438534 883984537 /nfs/dbraw/zinc/98/45/37/883984537.db2.gz OJVPZJDBTHBENC-ZETCQYMHSA-N 0 1 317.309 1.542 20 5 DDBDMN CCN1CCC[C@@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234911802 888246898 /nfs/dbraw/zinc/24/68/98/888246898.db2.gz QSDWWKMDKFECKM-LLVKDONJSA-N 0 1 323.353 1.515 20 5 DDBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CNC[C@@H](F)C2)n1 ZINC001247781521 893368356 /nfs/dbraw/zinc/36/83/56/893368356.db2.gz JSQNLGYTRVLYKI-BQBZGAKWSA-N 0 1 311.248 1.594 20 5 DDBDMN Cc1nc(N(C)CCN2CC3(C2)CCOCC3)ncc1[N+](=O)[O-] ZINC001261852836 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CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000155667307 186101111 /nfs/dbraw/zinc/10/11/11/186101111.db2.gz SMHJSAAFXPYIHT-LLVKDONJSA-N 0 1 322.365 1.403 20 5 DDBDMN CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000053775686 352666402 /nfs/dbraw/zinc/66/64/02/352666402.db2.gz KCVFRJGRUHZARG-GHMZBOCLSA-N 0 1 313.354 1.167 20 5 DDBDMN CC(C)CN1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000054375841 352690675 /nfs/dbraw/zinc/69/06/75/352690675.db2.gz PMVQBQCCURMVQR-LBPRGKRZSA-N 0 1 310.354 1.010 20 5 DDBDMN COc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000055668909 352740494 /nfs/dbraw/zinc/74/04/94/352740494.db2.gz JIAMLSKGGXRXJH-UHFFFAOYSA-N 0 1 319.361 1.771 20 5 DDBDMN O=C(NCc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000067523736 353054276 /nfs/dbraw/zinc/05/42/76/353054276.db2.gz ASJMZNUMIPDFKS-MFKMUULPSA-N 0 1 304.281 1.293 20 5 DDBDMN Cc1cc(C)c(S(=O)(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000344922681 282871305 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CN(CC(=O)NCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000154541287 408048465 /nfs/dbraw/zinc/04/84/65/408048465.db2.gz RNXGTYRKXNAAPA-LBPRGKRZSA-N 0 1 309.391 1.648 20 5 DDBDMN COc1ccc(OCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000119080448 407990505 /nfs/dbraw/zinc/99/05/05/407990505.db2.gz YNMCSPJDZGFXEY-UHFFFAOYSA-N 0 1 320.305 1.525 20 5 DDBDMN Cc1ccc2nc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000174899959 408000689 /nfs/dbraw/zinc/00/06/89/408000689.db2.gz JVXWLVQMXVFRJL-UHFFFAOYSA-N 0 1 314.305 1.292 20 5 DDBDMN CC1(C)CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CCN1 ZINC000182283021 408115171 /nfs/dbraw/zinc/11/51/71/408115171.db2.gz BWWCPKRJNXEMCH-UHFFFAOYSA-N 0 1 307.306 1.148 20 5 DDBDMN CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000246250968 408191891 /nfs/dbraw/zinc/19/18/91/408191891.db2.gz SXDVPVAYEIDZFY-WDEREUQCSA-N 0 1 322.365 1.236 20 5 DDBDMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269273243 408247017 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Cc1c(NC(=O)[C@@H](C)N(C)Cc2nnc[nH]2)cccc1[N+](=O)[O-] ZINC000177147070 408535108 /nfs/dbraw/zinc/53/51/08/408535108.db2.gz ONIJUCVGDHCYGK-SNVBAGLBSA-N 0 1 318.337 1.480 20 5 DDBDMN COc1cccc(NC[C@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185338386 408798037 /nfs/dbraw/zinc/79/80/37/408798037.db2.gz IVYOLURAXPWVNZ-LBPRGKRZSA-N 0 1 308.382 1.651 20 5 DDBDMN CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195085934 408810795 /nfs/dbraw/zinc/81/07/95/408810795.db2.gz JGXDKWKLDDBWBZ-LLVKDONJSA-N 0 1 324.381 1.936 20 5 DDBDMN O=[N+]([O-])c1cccc(S(=O)(=O)NC2(c3nnc[nH]3)CCC2)c1 ZINC000285797506 408866356 /nfs/dbraw/zinc/86/63/56/408866356.db2.gz YKDYRGNNINROAT-UHFFFAOYSA-N 0 1 323.334 1.071 20 5 DDBDMN CN1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286310633 408962358 /nfs/dbraw/zinc/96/23/58/408962358.db2.gz ZDTZSIXXZSCJIW-UHFFFAOYSA-N 0 1 322.394 1.259 20 5 DDBDMN COc1ccc(CN2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000278936452 409116947 /nfs/dbraw/zinc/11/69/47/409116947.db2.gz UCIHUUGKAPODCF-OAHLLOKOSA-N 0 1 305.334 1.315 20 5 DDBDMN Cc1cc([C@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000283689068 409197182 /nfs/dbraw/zinc/19/71/82/409197182.db2.gz WWRDTFZSNLOIQA-NSHDSACASA-N 0 1 318.337 1.229 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000279182103 409166038 /nfs/dbraw/zinc/16/60/38/409166038.db2.gz BTUNLXVISSNXFF-SNVBAGLBSA-N 0 1 310.354 1.767 20 5 DDBDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C2)C1 ZINC000294136176 409246770 /nfs/dbraw/zinc/24/67/70/409246770.db2.gz MOFIDKAKLHHQND-MRXNPFEDSA-N 0 1 319.361 1.858 20 5 DDBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+](C2CC2)C1 ZINC000295065026 409312261 /nfs/dbraw/zinc/31/22/61/409312261.db2.gz ZMCNUDVDDFHBEJ-JTQLQIEISA-N 0 1 319.365 1.009 20 5 DDBDMN CCS(=O)(=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301455 409314438 /nfs/dbraw/zinc/31/44/38/409314438.db2.gz YSEUYLYKAPJZBJ-VIFPVBQESA-N 0 1 301.368 1.262 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CC=CCC1 ZINC000280204454 409269220 /nfs/dbraw/zinc/26/92/20/409269220.db2.gz KDQPZRSWSYTQLI-UHFFFAOYSA-N 0 1 305.334 1.352 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000294300541 409274529 /nfs/dbraw/zinc/27/45/29/409274529.db2.gz SGTXTDOFEMCDIS-ZDUSSCGKSA-N 0 1 320.349 1.658 20 5 DDBDMN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290322957 409360499 /nfs/dbraw/zinc/36/04/99/409360499.db2.gz DOGUXVYCIQNGIN-JQWIXIFHSA-N 0 1 320.349 1.394 20 5 DDBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])[N@@H+](C)C1 ZINC000285357379 409412922 /nfs/dbraw/zinc/41/29/22/409412922.db2.gz XKHCHVVCENHCCY-RYUDHWBXSA-N 0 1 323.349 1.092 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+](C2CC2)C1 ZINC000295288996 409413287 /nfs/dbraw/zinc/41/32/87/409413287.db2.gz IJICRUBTZSLBKM-JTQLQIEISA-N 0 1 320.349 1.252 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+](C2CC2)C1 ZINC000295288996 409413290 /nfs/dbraw/zinc/41/32/90/409413290.db2.gz IJICRUBTZSLBKM-JTQLQIEISA-N 0 1 320.349 1.252 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280750021 409436348 /nfs/dbraw/zinc/43/63/48/409436348.db2.gz NFEPVVZUZCMBAC-ZUZCIYMTSA-N 0 1 320.349 1.119 20 5 DDBDMN C[C@@H]1CN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000296173976 409452942 /nfs/dbraw/zinc/45/29/42/409452942.db2.gz GCZLGSXAQKMBMO-TXEJJXNPSA-N 0 1 306.366 1.829 20 5 DDBDMN C[C@H]1[C@H](C)N(CC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000357033734 164136927 /nfs/dbraw/zinc/13/69/27/164136927.db2.gz IAPOWWFQHOFVHW-RYUDHWBXSA-N 0 1 306.366 1.558 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@]3(CCCOC3)C2)c1[N+](=O)[O-] ZINC000408298814 164289000 /nfs/dbraw/zinc/28/90/00/164289000.db2.gz QZPGBTSHBJYFLE-HNNXBMFYSA-N 0 1 322.365 1.913 20 5 DDBDMN Cc1ccc(S(=O)(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000344938419 409566674 /nfs/dbraw/zinc/56/66/74/409566674.db2.gz MDMAPNNCKQWSFO-SNVBAGLBSA-N 0 1 301.368 1.132 20 5 DDBDMN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000331464127 409536739 /nfs/dbraw/zinc/53/67/39/409536739.db2.gz HGTNUXYZTHXKSQ-DFAYQTQMSA-N 0 1 319.317 1.040 20 5 DDBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296475515 409577340 /nfs/dbraw/zinc/57/73/40/409577340.db2.gz WIFXFQSFDKCCOG-ZDUSSCGKSA-N 0 1 322.365 1.563 20 5 DDBDMN O=C(NCc1ccn2ccnc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356793996 409611144 /nfs/dbraw/zinc/61/11/44/409611144.db2.gz CXRPPPPICYPWLC-UHFFFAOYSA-N 0 1 312.285 1.878 20 5 DDBDMN C[C@H]1[C@H](C)N(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1C ZINC000356903497 409704558 /nfs/dbraw/zinc/70/45/58/409704558.db2.gz PRLJFEMSRQTCBL-RYUDHWBXSA-N 0 1 306.366 1.558 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000343001680 410065263 /nfs/dbraw/zinc/06/52/63/410065263.db2.gz OPPARJNUGVOKJP-VIFPVBQESA-N 0 1 303.322 1.695 20 5 DDBDMN CC(C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nn[nH]n1 ZINC000354758634 410066051 /nfs/dbraw/zinc/06/60/51/410066051.db2.gz GCTZQRKRSWFECW-UHFFFAOYSA-N 0 1 316.277 1.519 20 5 DDBDMN Cc1[nH]nc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1[N+](=O)[O-] ZINC000346872472 410212770 /nfs/dbraw/zinc/21/27/70/410212770.db2.gz BVMGKCDKNXGIML-UHFFFAOYSA-N 0 1 313.277 1.664 20 5 DDBDMN CC[NH+]1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000298373006 410199213 /nfs/dbraw/zinc/19/92/13/410199213.db2.gz KRDGPWVOAVLXEF-UHFFFAOYSA-N 0 1 317.349 1.685 20 5 DDBDMN Cn1c(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)ccc1[N+](=O)[O-] ZINC000351845750 410283026 /nfs/dbraw/zinc/28/30/26/410283026.db2.gz VNVQVMBYJQMNPW-UHFFFAOYSA-N 0 1 321.293 1.042 20 5 DDBDMN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343275126 410301160 /nfs/dbraw/zinc/30/11/60/410301160.db2.gz JUVPPVQTVMSVGY-SMDDNHRTSA-N 0 1 316.317 1.826 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCN1C ZINC000299213211 410571063 /nfs/dbraw/zinc/57/10/63/410571063.db2.gz FCXIBGVBDHIYRP-LLVKDONJSA-N 0 1 313.379 1.276 20 5 DDBDMN CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])n[n-]1)c1ccco1 ZINC000359554372 410727672 /nfs/dbraw/zinc/72/76/72/410727672.db2.gz IXPQKDSZFDGXOF-MWLCHTKSSA-N 0 1 321.337 1.770 20 5 DDBDMN CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000301692306 410773632 /nfs/dbraw/zinc/77/36/32/410773632.db2.gz ZDGNQSLMJRHHPY-HUUCEWRRSA-N 0 1 314.345 1.662 20 5 DDBDMN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000330582472 410796655 /nfs/dbraw/zinc/79/66/55/410796655.db2.gz USLWVPTWZJDQOT-UHFFFAOYSA-N 0 1 309.341 1.829 20 5 DDBDMN C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330586593 410801755 /nfs/dbraw/zinc/80/17/55/410801755.db2.gz LTWHXYXSZQRZMB-RYUDHWBXSA-N 0 1 306.366 1.558 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCN1CCC1 ZINC000337380073 410748330 /nfs/dbraw/zinc/74/83/30/410748330.db2.gz CRENYEVCPXJXDH-UHFFFAOYSA-N 0 1 308.338 1.108 20 5 DDBDMN COCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000331113428 410955679 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DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000375227829 418619531 /nfs/dbraw/zinc/61/95/31/418619531.db2.gz XGXYSWMNUXXCHX-KBPBESRZSA-N 0 1 322.336 1.387 20 5 DDBDMN C[C@H]1[C@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@@H+]1C ZINC000343497484 418631701 /nfs/dbraw/zinc/63/17/01/418631701.db2.gz DPTXECOQXSRXBH-GXFFZTMASA-N 0 1 317.349 2.539 20 5 DDBDMN C[C@H]1[C@H]([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@H+]1C ZINC000343497484 418631702 /nfs/dbraw/zinc/63/17/02/418631702.db2.gz DPTXECOQXSRXBH-GXFFZTMASA-N 0 1 317.349 2.539 20 5 DDBDMN Cn1cc([C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000375403642 418635104 /nfs/dbraw/zinc/63/51/04/418635104.db2.gz MEHSTFRLLLNZRN-BFHYXJOUSA-N 0 1 318.308 1.430 20 5 DDBDMN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000368158162 418697550 /nfs/dbraw/zinc/69/75/50/418697550.db2.gz GVDAHCUHRCQIEB-NTZNESFSSA-N 0 1 309.322 1.074 20 5 DDBDMN CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000370910394 418748673 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CCN(CCCO)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000270684896 408637124 /nfs/dbraw/zinc/63/71/24/408637124.db2.gz APVLWAYOKNWEDO-LBPRGKRZSA-N 0 1 309.366 1.935 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(SCCO)n[nH]2)c1 ZINC000270849329 408705638 /nfs/dbraw/zinc/70/56/38/408705638.db2.gz JOTSZIFKIZQXOB-UHFFFAOYSA-N 0 1 323.334 1.358 20 5 DDBDMN CN(C)C(=O)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193524712 408726146 /nfs/dbraw/zinc/72/61/46/408726146.db2.gz BPJXPYYPMIRFKS-UHFFFAOYSA-N 0 1 319.321 1.069 20 5 DDBDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164535458 408798127 /nfs/dbraw/zinc/79/81/27/408798127.db2.gz NEVTZASHBSSORM-GFCCVEGCSA-N 0 1 323.349 1.141 20 5 DDBDMN CC(C)C[C@H](CO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185371905 408801030 /nfs/dbraw/zinc/80/10/30/408801030.db2.gz SVDXINWJTKOVKD-CYBMUJFWSA-N 0 1 309.366 1.533 20 5 DDBDMN O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000163075339 408757356 /nfs/dbraw/zinc/75/73/56/408757356.db2.gz QQRIJAKCHOSSLN-JTQLQIEISA-N 0 1 305.334 1.515 20 5 DDBDMN C[C@H](C[S@@](C)=O)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126389 408763545 /nfs/dbraw/zinc/76/35/45/408763545.db2.gz NDDLCHFPWBEEST-BIBXISHDSA-N 0 1 300.380 1.672 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CCO)c2ccco2)c1 ZINC000185124715 408764299 /nfs/dbraw/zinc/76/42/99/408764299.db2.gz MQQJJFKFCHTZCQ-KGLIPLIRSA-N 0 1 306.318 1.935 20 5 DDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000249860316 408769405 /nfs/dbraw/zinc/76/94/05/408769405.db2.gz QGRODJJMIDXFSI-GHMZBOCLSA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000249860316 408769409 /nfs/dbraw/zinc/76/94/09/408769409.db2.gz QGRODJJMIDXFSI-GHMZBOCLSA-N 0 1 322.365 1.546 20 5 DDBDMN Cc1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000285872558 408880453 /nfs/dbraw/zinc/88/04/53/408880453.db2.gz RLCNJFFXPORUHD-CABCVRRESA-N 0 1 319.361 1.448 20 5 DDBDMN O=[N+]([O-])c1cncc(Br)c1NCCc1nc[nH]n1 ZINC000231630696 163350328 /nfs/dbraw/zinc/35/03/28/163350328.db2.gz GPULNZRHUNYRCU-UHFFFAOYSA-N 0 1 313.115 1.525 20 5 DDBDMN Cc1n[nH]c(C(=O)NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277456013 408943499 /nfs/dbraw/zinc/94/34/99/408943499.db2.gz GORMHWORVGJFFC-LLVKDONJSA-N 0 1 307.354 1.373 20 5 DDBDMN NC(=O)[C@H]1CCCN1CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286410660 408980507 /nfs/dbraw/zinc/98/05/07/408980507.db2.gz ASKCDFXAJYSORA-GFCCVEGCSA-N 0 1 310.329 1.486 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCc2occc2C1 ZINC000288775745 409177819 /nfs/dbraw/zinc/17/78/19/409177819.db2.gz JYJULMKTQULASR-UHFFFAOYSA-N 0 1 303.318 1.798 20 5 DDBDMN CN1CCO[C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@H]21 ZINC000284887887 409369137 /nfs/dbraw/zinc/36/91/37/409369137.db2.gz GWNNXUMCCNJIDR-ZIAGYGMSSA-N 0 1 317.349 1.380 20 5 DDBDMN CCc1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295373900 409454983 /nfs/dbraw/zinc/45/49/83/409454983.db2.gz OZUUXYOKCANJBM-UHFFFAOYSA-N 0 1 317.349 1.869 20 5 DDBDMN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000318657378 409879162 /nfs/dbraw/zinc/87/91/62/409879162.db2.gz HFLVJWPTPOCRHM-LLVKDONJSA-N 0 1 305.334 1.611 20 5 DDBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000354613086 409968341 /nfs/dbraw/zinc/96/83/41/409968341.db2.gz IMQDGQIITBGJAO-MNOVXSKESA-N 0 1 313.379 1.356 20 5 DDBDMN C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000354613086 409968348 /nfs/dbraw/zinc/96/83/48/409968348.db2.gz IMQDGQIITBGJAO-MNOVXSKESA-N 0 1 313.379 1.356 20 5 DDBDMN O=c1[nH]nc2n1CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000351987465 410392579 /nfs/dbraw/zinc/39/25/79/410392579.db2.gz VTHGRZHYPHVJHY-UHFFFAOYSA-N 0 1 311.248 1.186 20 5 DDBDMN Cc1ccc([C@@H](C)NC[C@@H](C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000358261574 410425226 /nfs/dbraw/zinc/42/52/26/410425226.db2.gz YPNBANBJPROIGD-GHMZBOCLSA-N 0 1 300.380 1.987 20 5 DDBDMN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352130538 410501584 /nfs/dbraw/zinc/50/15/84/410501584.db2.gz ZLBMMFCWXHZDBI-GJZGRUSLSA-N 0 1 314.297 1.689 20 5 DDBDMN C[C@@H]1[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@H+]1C ZINC000343497495 410494740 /nfs/dbraw/zinc/49/47/40/410494740.db2.gz DPTXECOQXSRXBH-MFKMUULPSA-N 0 1 317.349 2.539 20 5 DDBDMN CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000343613031 410570431 /nfs/dbraw/zinc/57/04/31/410570431.db2.gz QNMUYXFVRSHMGA-LLVKDONJSA-N 0 1 307.350 1.905 20 5 DDBDMN CCOc1ccc(C(=O)NCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000359748975 410851495 /nfs/dbraw/zinc/85/14/95/410851495.db2.gz FWBVPXASGFVULK-UHFFFAOYSA-N 0 1 305.294 1.084 20 5 DDBDMN Cc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000356154551 410867300 /nfs/dbraw/zinc/86/73/00/410867300.db2.gz AVSQAXBKYHSJPP-UHFFFAOYSA-N 0 1 314.305 1.443 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(O)(C(F)F)CC1 ZINC000331142360 410976211 /nfs/dbraw/zinc/97/62/11/410976211.db2.gz HGDHYSOWJRDHNM-UHFFFAOYSA-N 0 1 316.260 1.533 20 5 DDBDMN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000331164481 410991086 /nfs/dbraw/zinc/99/10/86/410991086.db2.gz GKYSQZRAGICHRZ-GFCCVEGCSA-N 0 1 307.350 1.649 20 5 DDBDMN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000331164481 410991090 /nfs/dbraw/zinc/99/10/90/410991090.db2.gz GKYSQZRAGICHRZ-GFCCVEGCSA-N 0 1 307.350 1.649 20 5 DDBDMN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000331192029 411008552 /nfs/dbraw/zinc/00/85/52/411008552.db2.gz KLVXZOFKDOPMHU-LLVKDONJSA-N 0 1 307.306 1.041 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356399681 411011312 /nfs/dbraw/zinc/01/13/12/411011312.db2.gz YMXCIWFECXCOBX-RYUDHWBXSA-N 0 1 305.334 1.657 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)C[C@H](O)Cc2ccccc2)c1[N+](=O)[O-] ZINC000356542671 411081432 /nfs/dbraw/zinc/08/14/32/411081432.db2.gz HMTXCXAISGHBHQ-GFCCVEGCSA-N 0 1 318.333 1.302 20 5 DDBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000131595509 196182632 /nfs/dbraw/zinc/18/26/32/196182632.db2.gz OHKFHIRPZZXHBC-TUAOUCFPSA-N 0 1 319.365 1.264 20 5 DDBDMN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000132553618 196265519 /nfs/dbraw/zinc/26/55/19/196265519.db2.gz AXBCZPWGFVGTFA-SNVBAGLBSA-N 0 1 305.334 1.515 20 5 DDBDMN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000133746589 196332779 /nfs/dbraw/zinc/33/27/79/196332779.db2.gz OCSRTRQFEWPVLW-URNOHEEXSA-N 0 1 314.367 1.128 20 5 DDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134430201 196390646 /nfs/dbraw/zinc/39/06/46/196390646.db2.gz KCHITKAVBHBWOQ-ZDUSSCGKSA-N 0 1 309.366 1.533 20 5 DDBDMN O=C(NC[C@H](CO)c1ccccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000360495393 418450530 /nfs/dbraw/zinc/45/05/30/418450530.db2.gz HNMJYTMEWODSFM-MRVPVSSYSA-N 0 1 324.724 1.477 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C[C@H](C)C(=O)OC)C2CC2)c1[N+](=O)[O-] ZINC000192492696 222127695 /nfs/dbraw/zinc/12/76/95/222127695.db2.gz DGJPFFOZIUAOKM-QMMMGPOBSA-N 0 1 324.337 1.294 20 5 DDBDMN COC[C@](C)(CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361259780 418614785 /nfs/dbraw/zinc/61/47/85/418614785.db2.gz NGRUOBCFWJWWMN-AWEZNQCLSA-N 0 1 308.338 1.348 20 5 DDBDMN C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)C1 ZINC000390709279 418755272 /nfs/dbraw/zinc/75/52/72/418755272.db2.gz HHLLQNWOSLUFMR-HNNXBMFYSA-N 0 1 305.334 1.825 20 5 DDBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000363503258 418766639 /nfs/dbraw/zinc/76/66/39/418766639.db2.gz BEDRIQKLVJNFEO-HIFRSBDPSA-N 0 1 320.393 2.211 20 5 DDBDMN O=[N+]([O-])c1cccc2c1CCN2CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000364666245 418798008 /nfs/dbraw/zinc/79/80/08/418798008.db2.gz ZMMLUCXUNGHDMJ-BETUJISGSA-N 0 1 303.362 1.821 20 5 DDBDMN C[C@@H](CO)N1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364933212 418825532 /nfs/dbraw/zinc/82/55/32/418825532.db2.gz LOBNYOKQEAERMX-LBPRGKRZSA-N 0 1 307.350 1.124 20 5 DDBDMN CCc1ccc([C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)cc1 ZINC000365143211 418839150 /nfs/dbraw/zinc/83/91/50/418839150.db2.gz VCEULSUPUFOXMS-ILXRZTDVSA-N 0 1 304.346 1.814 20 5 DDBDMN CNC(=O)[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000421395093 419597525 /nfs/dbraw/zinc/59/75/25/419597525.db2.gz YBZKIQBEKFOPRZ-JTQLQIEISA-N 0 1 323.349 1.180 20 5 DDBDMN C[C@@H]1CC[C@@H](O)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000422001113 419801607 /nfs/dbraw/zinc/80/16/07/419801607.db2.gz FKHGHRYFLXIFLE-PSASIEDQSA-N 0 1 304.306 1.457 20 5 DDBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000436970273 420388672 /nfs/dbraw/zinc/38/86/72/420388672.db2.gz COQVBLXCBOIGMC-LBPRGKRZSA-N 0 1 305.334 1.609 20 5 DDBDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000457084759 420606102 /nfs/dbraw/zinc/60/61/02/420606102.db2.gz GPSAVXNXFSVTOK-LLVKDONJSA-N 0 1 307.350 1.855 20 5 DDBDMN C[C@H]1CN(C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443434347 420752131 /nfs/dbraw/zinc/75/21/31/420752131.db2.gz HSXQHRLMSDOOFJ-JTQLQIEISA-N 0 1 303.322 1.785 20 5 DDBDMN C[C@H](N[C@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447920126 420819249 /nfs/dbraw/zinc/81/92/49/420819249.db2.gz GTNKNGKYGQVAOI-ZLKJLUDKSA-N 0 1 323.349 1.051 20 5 DDBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCOCC1 ZINC000448820610 420901843 /nfs/dbraw/zinc/90/18/43/420901843.db2.gz CFNTYFUJRWHZAW-UHFFFAOYSA-N 0 1 316.317 1.847 20 5 DDBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000449430586 421011163 /nfs/dbraw/zinc/01/11/63/421011163.db2.gz BZKNDTNBZYKUSW-XFJVYGCCSA-N 0 1 322.361 1.662 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000560563343 421280849 /nfs/dbraw/zinc/28/08/49/421280849.db2.gz VXLKPEJLPBYFGK-GFCCVEGCSA-N 0 1 318.337 1.583 20 5 DDBDMN Cc1[nH]ncc1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000552395697 421586377 /nfs/dbraw/zinc/58/63/77/421586377.db2.gz PVTNRMOVQXTTEY-UHFFFAOYSA-N 0 1 318.337 1.380 20 5 DDBDMN CC[N@H+]1CCCC[C@H]1CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034735 421595430 /nfs/dbraw/zinc/59/54/30/421595430.db2.gz FNLZGGXWPNQEAW-NSHDSACASA-N 0 1 322.365 2.283 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC(=O)N(C)C1=O ZINC000570793329 421669040 /nfs/dbraw/zinc/66/90/40/421669040.db2.gz SGAUGILOCLGGPY-GWCFXTLKSA-N 0 1 305.334 1.701 20 5 DDBDMN Cc1nccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000559072181 421829769 /nfs/dbraw/zinc/82/97/69/421829769.db2.gz WORRUZIZEZMPFX-CQSZACIVSA-N 0 1 318.333 1.223 20 5 DDBDMN Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572884364 421877345 /nfs/dbraw/zinc/87/73/45/421877345.db2.gz BMEWMAJADXMFHT-LLVKDONJSA-N 0 1 321.333 1.122 20 5 DDBDMN Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572884364 421877351 /nfs/dbraw/zinc/87/73/51/421877351.db2.gz BMEWMAJADXMFHT-LLVKDONJSA-N 0 1 321.333 1.122 20 5 DDBDMN O=[N+]([O-])c1cnc2ccc(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)nn21 ZINC000594602479 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ZINC000749110779 700147930 /nfs/dbraw/zinc/14/79/30/700147930.db2.gz FUFWLDPICSQKMZ-UHFFFAOYSA-N 0 1 315.264 1.935 20 5 DDBDMN COC(=O)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177923959 697419315 /nfs/dbraw/zinc/41/93/15/697419315.db2.gz BXMYLNRTEMYSDJ-UHFFFAOYSA-N 0 1 309.322 1.125 20 5 DDBDMN CCn1cc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749691065 700177684 /nfs/dbraw/zinc/17/76/84/700177684.db2.gz PCELMWDULYIJQR-HNNXBMFYSA-N 0 1 304.350 1.977 20 5 DDBDMN CC(=O)OC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776590869 698123507 /nfs/dbraw/zinc/12/35/07/698123507.db2.gz LURFVDHHLDWHBH-OAHLLOKOSA-N 0 1 308.334 1.656 20 5 DDBDMN O=C1C[C@@]2(CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CN1 ZINC000788381823 699310040 /nfs/dbraw/zinc/31/00/40/699310040.db2.gz IFTHJMYXEBRBSU-HNNXBMFYSA-N 0 1 315.333 1.114 20 5 DDBDMN C[C@H](NCC(=O)NC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638899 699329749 /nfs/dbraw/zinc/32/97/49/699329749.db2.gz JWIWBMXKTGZSFB-JTQLQIEISA-N 0 1 306.366 1.886 20 5 DDBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000733366549 699590552 /nfs/dbraw/zinc/59/05/52/699590552.db2.gz JUXLTWOGFRRVMS-UHFFFAOYSA-N 0 1 319.277 1.773 20 5 DDBDMN CC(C)(C(=O)OCCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 ZINC000734384023 699648886 /nfs/dbraw/zinc/64/88/86/699648886.db2.gz DRIBSYTYJOIIRZ-UHFFFAOYSA-N 0 1 304.306 1.776 20 5 DDBDMN CC(C)(C(=O)OCCc1cnn[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000734384023 699648888 /nfs/dbraw/zinc/64/88/88/699648888.db2.gz DRIBSYTYJOIIRZ-UHFFFAOYSA-N 0 1 304.306 1.776 20 5 DDBDMN Cc1nn(C)c(C(=O)OCc2nc(C(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000795351549 699860808 /nfs/dbraw/zinc/86/08/08/699860808.db2.gz HOWYXJJBPMZGLR-UHFFFAOYSA-N 0 1 308.298 1.235 20 5 DDBDMN Cc1nn(C)c(C(=O)OCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000795351549 699860811 /nfs/dbraw/zinc/86/08/11/699860811.db2.gz HOWYXJJBPMZGLR-UHFFFAOYSA-N 0 1 308.298 1.235 20 5 DDBDMN CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000752215883 700349496 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CN(C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000136440074 408106848 /nfs/dbraw/zinc/10/68/48/408106848.db2.gz MEVLKLQPBYPYBO-UHFFFAOYSA-N 0 1 307.759 1.088 20 5 DDBDMN C[S@](=O)C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000183070293 408320885 /nfs/dbraw/zinc/32/08/85/408320885.db2.gz YWCSDEPRPOBRGM-FPTDNZKUSA-N 0 1 322.390 1.501 20 5 DDBDMN CCOC[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269332136 408269851 /nfs/dbraw/zinc/26/98/51/408269851.db2.gz ALRDPYLDYCVEQI-SNVBAGLBSA-N 0 1 310.354 1.940 20 5 DDBDMN CC(C)(C(=O)NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000273822518 408298339 /nfs/dbraw/zinc/29/83/39/408298339.db2.gz GDVBAJFKKCVBSR-UHFFFAOYSA-N 0 1 321.312 1.489 20 5 DDBDMN CN(C)c1ccncc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000183519802 408432348 /nfs/dbraw/zinc/43/23/48/408432348.db2.gz WSYBJSQQUNYCED-UHFFFAOYSA-N 0 1 300.318 1.986 20 5 DDBDMN CCOCCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000264320706 408443218 /nfs/dbraw/zinc/44/32/18/408443218.db2.gz KBKKAPXHNYWJBK-UHFFFAOYSA-N 0 1 321.337 1.290 20 5 DDBDMN CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)O1 ZINC000269931071 408473705 /nfs/dbraw/zinc/47/37/05/408473705.db2.gz PDALJEAZDWDPFR-SNVBAGLBSA-N 0 1 318.289 1.295 20 5 DDBDMN C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274827133 408548081 /nfs/dbraw/zinc/54/80/81/408548081.db2.gz YLIALBOWWZEFNV-FHZGZLOMSA-N 0 1 300.336 1.139 20 5 DDBDMN COC(=O)[C@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177445643 408620659 /nfs/dbraw/zinc/62/06/59/408620659.db2.gz AQOGHTZVQQJTKV-OAHLLOKOSA-N 0 1 308.334 1.988 20 5 DDBDMN CC(C)(O)C1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000275702431 408651325 /nfs/dbraw/zinc/65/13/25/408651325.db2.gz VEIKGDBAWOSINT-UHFFFAOYSA-N 0 1 304.306 1.314 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000270720579 408651319 /nfs/dbraw/zinc/65/13/19/408651319.db2.gz HYVICWIMVNHIIQ-ZETCQYMHSA-N 0 1 304.310 1.349 20 5 DDBDMN COc1cccc(NC[C@@H](C)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC000185338401 408797419 /nfs/dbraw/zinc/79/74/19/408797419.db2.gz IVYOLURAXPWVNZ-GFCCVEGCSA-N 0 1 308.382 1.651 20 5 DDBDMN COc1cc(C(=O)N[C@H](C)c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000286321923 408962830 /nfs/dbraw/zinc/96/28/30/408962830.db2.gz JVTPBPPHYCOAOL-SSDOTTSWSA-N 0 1 305.294 1.521 20 5 DDBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 ZINC000277852397 409024213 /nfs/dbraw/zinc/02/42/13/409024213.db2.gz NORPMDFANXDZCX-XPUUQOCRSA-N 0 1 321.341 1.749 20 5 DDBDMN O=[N+]([O-])c1cnc(N[C@H](CO)CN2CCCCC2)c(Cl)c1 ZINC000289189711 409230724 /nfs/dbraw/zinc/23/07/24/409230724.db2.gz SWDLMLAOMKXGJK-JTQLQIEISA-N 0 1 314.773 1.902 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1n[nH]c(CC)n1 ZINC000295546417 409341804 /nfs/dbraw/zinc/34/18/04/409341804.db2.gz LFTFFZYVPILWQA-UHFFFAOYSA-N 0 1 319.321 1.604 20 5 DDBDMN Nc1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000295562620 409348827 /nfs/dbraw/zinc/34/88/27/409348827.db2.gz YVKCCULRLAPFOZ-UHFFFAOYSA-N 0 1 302.294 1.103 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000290500561 409424587 /nfs/dbraw/zinc/42/45/87/409424587.db2.gz FXWFUZWUWCLWTE-JOYOIKCWSA-N 0 1 308.338 1.656 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280750019 409437087 /nfs/dbraw/zinc/43/70/87/409437087.db2.gz NFEPVVZUZCMBAC-MEBBXXQBSA-N 0 1 320.349 1.119 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000408206557 164260342 /nfs/dbraw/zinc/26/03/42/164260342.db2.gz OTZOVLIMLQKRKV-JTQLQIEISA-N 0 1 308.338 1.658 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2CCO)c1[N+](=O)[O-] ZINC000356745841 409567524 /nfs/dbraw/zinc/56/75/24/409567524.db2.gz PXQKRDRMKQEZPV-SNVBAGLBSA-N 0 1 310.354 1.648 20 5 DDBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000348971463 409620133 /nfs/dbraw/zinc/62/01/33/409620133.db2.gz RHNUJKRSWHKLFI-HJIKLVIJSA-N 0 1 319.317 1.026 20 5 DDBDMN CCN(CC(C)(C)O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000304467483 409628208 /nfs/dbraw/zinc/62/82/08/409628208.db2.gz BZQGRPSESVMDRP-UHFFFAOYSA-N 0 1 306.322 1.704 20 5 DDBDMN Cc1n[nH]c([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000349372598 409813253 /nfs/dbraw/zinc/81/32/53/409813253.db2.gz MWBFIJVSYGSFIE-NSHDSACASA-N 0 1 305.342 1.097 20 5 DDBDMN CCN1CCN(CC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000346252170 409880459 /nfs/dbraw/zinc/88/04/59/409880459.db2.gz CLYFXZCQQSGHLI-UHFFFAOYSA-N 0 1 320.393 1.788 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000318779455 409881255 /nfs/dbraw/zinc/88/12/55/409881255.db2.gz OFYQTLKSUCOBDQ-MNOVXSKESA-N 0 1 305.334 1.657 20 5 DDBDMN COC(=O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000346691744 410085715 /nfs/dbraw/zinc/08/57/15/410085715.db2.gz WAZSXXSPSZRMFJ-SKDRFNHKSA-N 0 1 321.333 1.077 20 5 DDBDMN C[C@]1(CO)CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354865295 410136113 /nfs/dbraw/zinc/13/61/13/410136113.db2.gz ZKRDSGIVGDFKJQ-IUODEOHRSA-N 0 1 318.333 1.752 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000346759155 410136679 /nfs/dbraw/zinc/13/66/79/410136679.db2.gz APHFVAVIVLZCLM-RYUDHWBXSA-N 0 1 323.397 1.468 20 5 DDBDMN COc1cccc(C(=O)NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000357637911 410154012 /nfs/dbraw/zinc/15/40/12/410154012.db2.gz TWWQRDRUYBYKSI-UHFFFAOYSA-N 0 1 305.334 1.595 20 5 DDBDMN CC[N@H+]1CC[C@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339393611 410154405 /nfs/dbraw/zinc/15/44/05/410154405.db2.gz KQKNBXFHDKXJQD-HZPDHXFCSA-N 0 1 321.377 1.595 20 5 DDBDMN CC(C)C[C@@H](N)c1noc(Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000339395631 410156833 /nfs/dbraw/zinc/15/68/33/410156833.db2.gz LMQUMBPEZSEIQV-SNVBAGLBSA-N 0 1 307.310 1.234 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339614065 410331197 /nfs/dbraw/zinc/33/11/97/410331197.db2.gz JIIXDRMVULFSSF-JHJVBQTASA-N 0 1 320.393 1.946 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1NC1CCN(Cc2ccccn2)CC1 ZINC000298702729 410357381 /nfs/dbraw/zinc/35/73/81/410357381.db2.gz HWKCHSMVXKHRIX-UHFFFAOYSA-N 0 1 316.365 1.800 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCN2CCSC[C@H]2CCO)cc1 ZINC000347365394 410498561 /nfs/dbraw/zinc/49/85/61/410498561.db2.gz HHYXYJZJVPNADN-CYBMUJFWSA-N 0 1 312.391 1.773 20 5 DDBDMN CCN(C[C@H](C)O)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202910 410545140 /nfs/dbraw/zinc/54/51/40/410545140.db2.gz NLQALLCWHRECLO-JQWIXIFHSA-N 0 1 309.366 1.933 20 5 DDBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCN1CCC1 ZINC000337322215 410714616 /nfs/dbraw/zinc/71/46/16/410714616.db2.gz QXWMQBWAOFXGTA-UHFFFAOYSA-N 0 1 302.334 1.371 20 5 DDBDMN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330579869 410794950 /nfs/dbraw/zinc/79/49/50/410794950.db2.gz IHOMCXCZHJJCMT-CHWSQXEVSA-N 0 1 320.393 1.948 20 5 DDBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000330645024 410846205 /nfs/dbraw/zinc/84/62/05/410846205.db2.gz GGRKIDDFYWIEAR-JQWIXIFHSA-N 0 1 323.349 1.092 20 5 DDBDMN O=[N+]([O-])c1cccnc1NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000360230049 411107734 /nfs/dbraw/zinc/10/77/34/411107734.db2.gz LWPNGCKTUZAONB-OLZOCXBDSA-N 0 1 306.366 1.903 20 5 DDBDMN O=C(NCCc1nc2c(s1)CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000130508946 196086188 /nfs/dbraw/zinc/08/61/88/196086188.db2.gz SSCSQFMTSSNIEP-UHFFFAOYSA-N 0 1 321.362 1.626 20 5 DDBDMN COC1(C(F)(F)F)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000419363071 226131035 /nfs/dbraw/zinc/13/10/35/226131035.db2.gz YVPDQMNWNAAFRR-UHFFFAOYSA-N 0 1 322.287 1.835 20 5 DDBDMN Cc1cc(C(=O)NCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000296734553 226174569 /nfs/dbraw/zinc/17/45/69/226174569.db2.gz AEBYZLCTFWKASG-UHFFFAOYSA-N 0 1 307.350 1.090 20 5 DDBDMN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000366087543 418429094 /nfs/dbraw/zinc/42/90/94/418429094.db2.gz KILXKCJMBBNWOA-WDMOLILDSA-N 0 1 307.325 1.433 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000360417849 418429265 /nfs/dbraw/zinc/42/92/65/418429265.db2.gz FYYLTBIVQPGCLQ-LLVKDONJSA-N 0 1 301.306 1.733 20 5 DDBDMN O=[N+]([O-])c1cnc(N2CCN(CC3CCOCC3)CC2)s1 ZINC000192459047 222128824 /nfs/dbraw/zinc/12/88/24/222128824.db2.gz ABASFBUEIHRUPC-UHFFFAOYSA-N 0 1 312.395 1.600 20 5 DDBDMN COc1ccc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000422936395 227268317 /nfs/dbraw/zinc/26/83/17/227268317.db2.gz BNIXBNRPQNYNGA-JKSUJKDBSA-N 0 1 321.377 1.460 20 5 DDBDMN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000372091386 418836134 /nfs/dbraw/zinc/83/61/34/418836134.db2.gz BWRIPUZKQKUEBK-NOZJJQNGSA-N 0 1 304.281 1.924 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425069930 228361229 /nfs/dbraw/zinc/36/12/29/228361229.db2.gz WBPAWGKUNUHECP-JTQLQIEISA-N 0 1 301.306 1.651 20 5 DDBDMN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1COC1 ZINC000411775664 419404652 /nfs/dbraw/zinc/40/46/52/419404652.db2.gz SKJSXZQXVTWXIV-UHFFFAOYSA-N 0 1 323.349 1.653 20 5 DDBDMN CN(C(=O)CN1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000426220769 419411772 /nfs/dbraw/zinc/41/17/72/419411772.db2.gz SZQQOKRWRSKUSJ-CYBMUJFWSA-N 0 1 307.350 1.404 20 5 DDBDMN COC(=O)[C@@H]1CSCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412088474 419644470 /nfs/dbraw/zinc/64/44/70/419644470.db2.gz WSENGSQXTKWRBH-LBPRGKRZSA-N 0 1 310.375 1.933 20 5 DDBDMN CC(C)[C@@](C)(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000427373292 419645634 /nfs/dbraw/zinc/64/56/34/419645634.db2.gz WVVUFVCUSBXBOC-CQSZACIVSA-N 0 1 306.322 1.608 20 5 DDBDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436706256 420359472 /nfs/dbraw/zinc/35/94/72/420359472.db2.gz OZAYHNADKLTWEO-LBPRGKRZSA-N 0 1 307.350 1.905 20 5 DDBDMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420741558 420374618 /nfs/dbraw/zinc/37/46/18/420374618.db2.gz STYGWEXVPBHEDW-LLVKDONJSA-N 0 1 313.379 1.310 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443808465 230031394 /nfs/dbraw/zinc/03/13/94/230031394.db2.gz YCYCURYCYMCSEJ-LBPRGKRZSA-N 0 1 322.365 1.250 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](n2ccnn2)C1 ZINC000425505705 420403531 /nfs/dbraw/zinc/40/35/31/420403531.db2.gz YWKLQIDLLTXKEO-ZDUSSCGKSA-N 0 1 317.349 1.902 20 5 DDBDMN C[NH+](C)CCCC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456172377 421113512 /nfs/dbraw/zinc/11/35/12/421113512.db2.gz PKZQBMAGXMXVOI-UHFFFAOYSA-N 0 1 310.354 1.546 20 5 DDBDMN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000497232289 421392831 /nfs/dbraw/zinc/39/28/31/421392831.db2.gz XFZDOJGWRRDUSU-QJPTWQEYSA-N 0 1 313.354 1.169 20 5 DDBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000515655758 421513042 /nfs/dbraw/zinc/51/30/42/421513042.db2.gz OWORJAWLQZPMCL-GFCCVEGCSA-N 0 1 323.349 1.552 20 5 DDBDMN COC(=O)CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000549464123 421501610 /nfs/dbraw/zinc/50/16/10/421501610.db2.gz IVYCEQJYXGOODP-UHFFFAOYSA-N 0 1 324.333 1.454 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1C[C@@H](O)C1(C)C ZINC000517244871 421604460 /nfs/dbraw/zinc/60/44/60/421604460.db2.gz NKLUJUQDKSVKTC-VXGBXAGGSA-N 0 1 307.350 1.591 20 5 DDBDMN CC(C)[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000517238630 421603763 /nfs/dbraw/zinc/60/37/63/421603763.db2.gz KLQUFNXVRQNLGU-LBPRGKRZSA-N 0 1 308.338 1.464 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000519666052 421715499 /nfs/dbraw/zinc/71/54/99/421715499.db2.gz YMAOHAFMFXDKEC-NSHDSACASA-N 0 1 322.365 1.554 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000555217270 421672405 /nfs/dbraw/zinc/67/24/05/421672405.db2.gz IDCBNUIAMLHHRX-LURJTMIESA-N 0 1 304.253 1.334 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](C(C)C)C2)n1 ZINC000574281301 422088040 /nfs/dbraw/zinc/08/80/40/422088040.db2.gz XILVVWYTKXULPQ-LBPRGKRZSA-N 0 1 322.365 1.773 20 5 DDBDMN CCN1CCC[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000587415713 422313840 /nfs/dbraw/zinc/31/38/40/422313840.db2.gz CXVPGNLHSLTFFC-SNVBAGLBSA-N 0 1 317.349 2.140 20 5 DDBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccnc(N)c2[N+](=O)[O-])n[nH]1 ZINC000577230228 422383057 /nfs/dbraw/zinc/38/30/57/422383057.db2.gz XVHOPOBNBRTVFP-ZETCQYMHSA-N 0 1 319.325 1.305 20 5 DDBDMN COc1ccc(CNC2(C(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000088545590 263333486 /nfs/dbraw/zinc/33/34/86/263333486.db2.gz KKNVSTJOMYRUPZ-UHFFFAOYSA-N 0 1 307.350 1.881 20 5 DDBDMN O=C(NCc1cnn2ccccc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000342176355 271330192 /nfs/dbraw/zinc/33/01/92/271330192.db2.gz GPGBZPQIDQLFGF-UHFFFAOYSA-N 0 1 312.285 1.878 20 5 DDBDMN CCOC(=O)CC(C)(C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000345091680 272169615 /nfs/dbraw/zinc/16/96/15/272169615.db2.gz PCUFAJBMYYENEQ-UHFFFAOYSA-N 0 1 312.326 1.430 20 5 DDBDMN C[C@@H]1[C@H](O)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000296302972 279127172 /nfs/dbraw/zinc/12/71/72/279127172.db2.gz ZURDDBMXMCBIKS-PRHODGIISA-N 0 1 304.306 1.457 20 5 DDBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(CO)o3)C2)nc1 ZINC000093534484 281042728 /nfs/dbraw/zinc/04/27/28/281042728.db2.gz NAVCLDYHJCGNIY-NSHDSACASA-N 0 1 318.333 1.762 20 5 DDBDMN C[C@@H]1NCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]1C ZINC000262813927 288859645 /nfs/dbraw/zinc/85/96/45/288859645.db2.gz YUXOUTFNGYVMES-IUCAKERBSA-N 0 1 317.342 1.105 20 5 DDBDMN C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000155693472 290317245 /nfs/dbraw/zinc/31/72/45/290317245.db2.gz AAXLGUHWNYLJGU-WDEREUQCSA-N 0 1 305.334 1.609 20 5 DDBDMN CCC(=O)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000363435614 300266748 /nfs/dbraw/zinc/26/67/48/300266748.db2.gz VQBRZRMAKXNHAG-UHFFFAOYSA-N 0 1 321.377 1.918 20 5 DDBDMN CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000369535744 301195997 /nfs/dbraw/zinc/19/59/97/301195997.db2.gz CDAZQCPDSRIJDA-ZFWWWQNUSA-N 0 1 324.381 1.451 20 5 DDBDMN O=C(NCCc1nc(-c2ccc(F)cc2)c[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000369689733 301213240 /nfs/dbraw/zinc/21/32/40/301213240.db2.gz LDOHDMZYBLHOEI-DGCLKSJQSA-N 0 1 318.308 1.540 20 5 DDBDMN O=C(C[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000370307343 301313649 /nfs/dbraw/zinc/31/36/49/301313649.db2.gz BIDWOKZQEPBFFQ-GARJFASQSA-N 0 1 308.359 1.977 20 5 DDBDMN O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000377455049 302181604 /nfs/dbraw/zinc/18/16/04/302181604.db2.gz GEUMYWHGDZXSFE-ZLKJLUDKSA-N 0 1 323.780 1.948 20 5 DDBDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000536507630 303360545 /nfs/dbraw/zinc/36/05/45/303360545.db2.gz JXEUOAILMHOULV-QMMMGPOBSA-N 0 1 304.310 1.722 20 5 DDBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000367589495 307099027 /nfs/dbraw/zinc/09/90/27/307099027.db2.gz NWZMKJPRFAUDHD-RTXFEEFZSA-N 0 1 309.753 1.700 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Oc2ncccc2F)CC1 ZINC000369642155 307125512 /nfs/dbraw/zinc/12/55/12/307125512.db2.gz VPHYVZMTXHXHSU-ZYHUDNBSSA-N 0 1 309.297 1.256 20 5 DDBDMN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000371086371 307142469 /nfs/dbraw/zinc/14/24/69/307142469.db2.gz LHDYONCKLJPDPD-MBNYWOFBSA-N 0 1 303.318 1.266 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000378489998 307289505 /nfs/dbraw/zinc/28/95/05/307289505.db2.gz CEJKPQKVTXHWNH-BXUZGUMPSA-N 0 1 304.350 1.464 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000577742699 308411197 /nfs/dbraw/zinc/41/11/97/308411197.db2.gz DGFIWRXPWGPZIP-QWHCGFSZSA-N 0 1 307.350 1.591 20 5 DDBDMN O=C([O-])c1ccnc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000582492931 337098615 /nfs/dbraw/zinc/09/86/15/337098615.db2.gz VKKOAEAGDSVMKM-SECBINFHSA-N 0 1 317.305 1.795 20 5 DDBDMN C[C@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000459388965 533856925 /nfs/dbraw/zinc/85/69/25/533856925.db2.gz PSVNFUORNZGMML-UWVGGRQHSA-N 0 1 306.322 1.186 20 5 DDBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CCC(O)CC1 ZINC000296772207 534776852 /nfs/dbraw/zinc/77/68/52/534776852.db2.gz CIJJXYXBIAKWFK-ZZXKWVIFSA-N 0 1 319.361 1.181 20 5 DDBDMN CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CCN1CCOC ZINC000297400121 527789426 /nfs/dbraw/zinc/78/94/26/527789426.db2.gz FSYMEAUFNUHXDP-CYBMUJFWSA-N 0 1 323.397 1.630 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000305814571 528545022 /nfs/dbraw/zinc/54/50/22/528545022.db2.gz NWLNXNPMLMUFFG-CMPLNLGQSA-N 0 1 324.381 1.894 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000422832009 528692657 /nfs/dbraw/zinc/69/26/57/528692657.db2.gz XHBPNBUILYIJAG-PHIMTYICSA-N 0 1 307.350 1.816 20 5 DDBDMN O=C([O-])C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000821516666 597369603 /nfs/dbraw/zinc/36/96/03/597369603.db2.gz UIRIDUYCYNZVGY-SMDDNHRTSA-N 0 1 308.334 1.815 20 5 DDBDMN O=C([O-])C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000738545217 600034219 /nfs/dbraw/zinc/03/42/19/600034219.db2.gz WPCJUAIKOXNEHK-UHFFFAOYSA-N 0 1 304.306 1.768 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016819 601888209 /nfs/dbraw/zinc/88/82/09/601888209.db2.gz IZEJJPAIRFXLEU-AWEZNQCLSA-N 0 1 319.321 1.402 20 5 DDBDMN O=C([O-])NC[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000740643128 601937905 /nfs/dbraw/zinc/93/79/05/601937905.db2.gz NGHLDBXGEPZQMY-GFCCVEGCSA-N 0 1 323.349 1.953 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000833016803 602198903 /nfs/dbraw/zinc/19/89/03/602198903.db2.gz IBUOXCJPQZOJQR-NOZJJQNGSA-N 0 1 318.333 1.863 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000834184030 605444163 /nfs/dbraw/zinc/44/41/63/605444163.db2.gz QKTJCTUUXJCDCZ-CYZMBNFOSA-N 0 1 323.353 1.159 20 5 DDBDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000833834053 605888387 /nfs/dbraw/zinc/88/83/87/605888387.db2.gz MCLVFHLEBRMMRE-RYUDHWBXSA-N 0 1 323.349 1.952 20 5 DDBDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000833834516 605900138 /nfs/dbraw/zinc/90/01/38/605900138.db2.gz OGMDFOTUNXOJLN-NWDGAFQWSA-N 0 1 323.349 1.952 20 5 DDBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(C(N)=O)c1 ZINC000747959451 700093329 /nfs/dbraw/zinc/09/33/29/700093329.db2.gz PENHVFZKKZEDSV-UHFFFAOYSA-N 0 1 303.322 1.022 20 5 DDBDMN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nn[nH]n1 ZINC000124407953 696742459 /nfs/dbraw/zinc/74/24/59/696742459.db2.gz RXYRNRGUEOXYAN-ZETCQYMHSA-N 0 1 324.728 1.637 20 5 DDBDMN [NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000125077009 696749399 /nfs/dbraw/zinc/74/93/99/696749399.db2.gz OJJXENMRXHXAOA-DTWKUNHWSA-N 0 1 317.342 1.282 20 5 DDBDMN Cc1ccc([C@@H](O)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000780542754 698530046 /nfs/dbraw/zinc/53/00/46/698530046.db2.gz CPUPPUNBWNODLQ-LBPRGKRZSA-N 0 1 306.274 1.665 20 5 DDBDMN C[C@H]1CCCN1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000780868833 698566523 /nfs/dbraw/zinc/56/65/23/698566523.db2.gz ZNGIGURVMPBJPD-NSHDSACASA-N 0 1 313.379 1.357 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C ZINC000787187632 699194912 /nfs/dbraw/zinc/19/49/12/699194912.db2.gz TUFJOXFXHPPYAT-MNOVXSKESA-N 0 1 306.366 1.732 20 5 DDBDMN CC(C)(CNCc1csc([N+](=O)[O-])c1)CS(C)(=O)=O ZINC000723884059 699322869 /nfs/dbraw/zinc/32/28/69/699322869.db2.gz VMHYCWUMRBBLCQ-UHFFFAOYSA-N 0 1 306.409 1.817 20 5 DDBDMN Cc1nc(COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[nH]1 ZINC000795237787 699853372 /nfs/dbraw/zinc/85/33/72/699853372.db2.gz SLNOANFIJBERGN-UHFFFAOYSA-N 0 1 317.305 1.953 20 5 DDBDMN CC(C)c1n[nH]c(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n1 ZINC000795456460 699869466 /nfs/dbraw/zinc/86/94/66/699869466.db2.gz AVTYIBFJIWYFIY-UHFFFAOYSA-N 0 1 323.284 1.915 20 5 DDBDMN CC(C)c1nc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000795456460 699869469 /nfs/dbraw/zinc/86/94/69/699869469.db2.gz AVTYIBFJIWYFIY-UHFFFAOYSA-N 0 1 323.284 1.915 20 5 DDBDMN O=C(OC1CCN(c2ccncn2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000752572533 700373332 /nfs/dbraw/zinc/37/33/32/700373332.db2.gz HCZVGRFBXMKDEV-UHFFFAOYSA-N 0 1 317.305 1.539 20 5 DDBDMN COC(=O)[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000755939930 700594096 /nfs/dbraw/zinc/59/40/96/700594096.db2.gz ZRBKKJDDRRTWMG-ZWNOBZJWSA-N 0 1 318.333 1.643 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804441058 701190041 /nfs/dbraw/zinc/19/00/41/701190041.db2.gz ZPJORGCWHYBJRW-LLVKDONJSA-N 0 1 323.353 1.551 20 5 DDBDMN CCOC(=O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000769467931 701246090 /nfs/dbraw/zinc/24/60/90/701246090.db2.gz UWYCBMIUXNYYAC-ZDUSSCGKSA-N 0 1 310.306 1.064 20 5 DDBDMN COC(=O)C[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770675949 701289202 /nfs/dbraw/zinc/28/92/02/701289202.db2.gz GNJJIEBMLCOHAU-HNNXBMFYSA-N 0 1 308.334 1.797 20 5 DDBDMN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839570195 701739823 /nfs/dbraw/zinc/73/98/23/701739823.db2.gz WRDBMSRVADFIDM-AAVRWANBSA-N 0 1 308.309 1.827 20 5 DDBDMN O=C(NCCc1nc(-c2ccncc2)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000839625789 701757731 /nfs/dbraw/zinc/75/77/31/701757731.db2.gz MWDIZFNTTHRRSC-ZYHUDNBSSA-N 0 1 318.358 1.529 20 5 DDBDMN CN(C)C(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839636233 701762313 /nfs/dbraw/zinc/76/23/13/701762313.db2.gz PEMDUCYTWWANKD-NSHDSACASA-N 0 1 322.321 1.413 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000839647125 701765031 /nfs/dbraw/zinc/76/50/31/701765031.db2.gz OAIMNTYCTLLECH-XTWCZFFVSA-N 0 1 303.318 1.048 20 5 DDBDMN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)CCO1 ZINC000839686465 701783200 /nfs/dbraw/zinc/78/32/00/701783200.db2.gz PORMENZKVRIOLW-LERXQTSPSA-N 0 1 305.334 1.515 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000839712366 701792749 /nfs/dbraw/zinc/79/27/49/701792749.db2.gz GOPABMQYMWXCJY-TUVASFSCSA-N 0 1 322.336 1.905 20 5 DDBDMN Cc1cc([C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])CCO2)ccc1F ZINC000839716690 701795062 /nfs/dbraw/zinc/79/50/62/701795062.db2.gz CFDHYOWNUKUXLW-MRVWCRGKSA-N 0 1 308.309 1.699 20 5 DDBDMN C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597752 701902172 /nfs/dbraw/zinc/90/21/72/701902172.db2.gz FFSWTGAZEOKPCY-IUCAKERBSA-N 0 1 301.368 1.261 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)CN(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000840236947 702038375 /nfs/dbraw/zinc/03/83/75/702038375.db2.gz AACCOEPWLYJJCR-VIFPVBQESA-N 0 1 319.321 1.762 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840363869 702085779 /nfs/dbraw/zinc/08/57/79/702085779.db2.gz DYNJXZCSUBVQAZ-WZRBSPASSA-N 0 1 323.330 1.834 20 5 DDBDMN Cc1nc([C@@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000840377313 702089645 /nfs/dbraw/zinc/08/96/45/702089645.db2.gz APTWMSGCAMCVCY-SECBINFHSA-N 0 1 318.293 1.923 20 5 DDBDMN Cc1nnc([C@@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)[nH]1 ZINC000840377313 702089653 /nfs/dbraw/zinc/08/96/53/702089653.db2.gz APTWMSGCAMCVCY-SECBINFHSA-N 0 1 318.293 1.923 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000840410215 702101068 /nfs/dbraw/zinc/10/10/68/702101068.db2.gz WXCHWSDUIVNDEB-RBSFLKMASA-N 0 1 304.346 1.451 20 5 DDBDMN Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671860 702195030 /nfs/dbraw/zinc/19/50/30/702195030.db2.gz CWRZJHKNMXCFRT-MKPLZMMCSA-N 0 1 310.281 1.670 20 5 DDBDMN O=C(OC[C@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673654 702198004 /nfs/dbraw/zinc/19/80/04/702198004.db2.gz XFINIYKNKCCGHA-IACUBPJLSA-N 0 1 318.329 1.357 20 5 DDBDMN COC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673722 702198691 /nfs/dbraw/zinc/19/86/91/702198691.db2.gz ZVLNFJMEGDEAFO-UTUOFQBUSA-N 0 1 311.265 1.118 20 5 DDBDMN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842313253 702701848 /nfs/dbraw/zinc/70/18/48/702701848.db2.gz PBWTUZHFILCZCB-BFHYXJOUSA-N 0 1 318.329 1.244 20 5 DDBDMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842913889 702790887 /nfs/dbraw/zinc/79/08/87/702790887.db2.gz JMDRIQQKFORBNU-SFYZADRCSA-N 0 1 321.786 1.652 20 5 DDBDMN CN(C[C@H]1CCC[N@H+]1C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844208972 702992260 /nfs/dbraw/zinc/99/22/60/702992260.db2.gz CGUFHOMMULBRLS-GFCCVEGCSA-N 0 1 307.350 1.752 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC000846412372 703272884 /nfs/dbraw/zinc/27/28/84/703272884.db2.gz OXXADQREFGXJPO-XPTSAGLGSA-N 0 1 304.306 1.344 20 5 DDBDMN CCN1C[C@@H](CN(C)CCc2cccc([N+](=O)[O-])c2)OC1=O ZINC000846893003 703347730 /nfs/dbraw/zinc/34/77/30/703347730.db2.gz DWEOHQXITBRUEZ-CQSZACIVSA-N 0 1 307.350 1.910 20 5 DDBDMN CO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000851708190 703833965 /nfs/dbraw/zinc/83/39/65/703833965.db2.gz SVCRIELVEZNTQB-RDBSUJKOSA-N 0 1 324.333 1.192 20 5 DDBDMN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000870773504 704127876 /nfs/dbraw/zinc/12/78/76/704127876.db2.gz SYADNYBNFYIZSD-UMSGYPCISA-N 0 1 304.302 1.567 20 5 DDBDMN CCC(=O)c1ccc(N(C)Cc2n[nH]c(=O)o2)c([N+](=O)[O-])c1 ZINC000819931463 704188220 /nfs/dbraw/zinc/18/82/20/704188220.db2.gz TZLAQECHMGSPPV-UHFFFAOYSA-N 0 1 306.278 1.913 20 5 DDBDMN Nc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1[N+](=O)[O-] ZINC000854497432 704408168 /nfs/dbraw/zinc/40/81/68/704408168.db2.gz ODTMEJWSUMFZEQ-VIFPVBQESA-N 0 1 301.306 1.959 20 5 DDBDMN Cc1c(-c2noc(C[C@H]3COCCN3)n2)cccc1[N+](=O)[O-] ZINC000823270910 705190038 /nfs/dbraw/zinc/19/00/38/705190038.db2.gz XVZGAYVNVAJMFA-JTQLQIEISA-N 0 1 304.306 1.484 20 5 DDBDMN CC(C)CN1CCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000824003046 705353314 /nfs/dbraw/zinc/35/33/14/705353314.db2.gz MTFKOZQAKWBVAH-UHFFFAOYSA-N 0 1 321.381 1.983 20 5 DDBDMN CC(C)n1nnnc1-c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000862484277 705722139 /nfs/dbraw/zinc/72/21/39/705722139.db2.gz ISHIVYIWWAWPQD-VXGBXAGGSA-N 0 1 316.321 1.525 20 5 DDBDMN COC(=O)[C@H]1C[C@H](O)CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877608273 706158051 /nfs/dbraw/zinc/15/80/51/706158051.db2.gz ODRSQNPIKDUHAW-STQMWFEESA-N 0 1 322.361 1.567 20 5 DDBDMN O=C(NCC1CN(Cc2csc([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000877777087 706207309 /nfs/dbraw/zinc/20/73/09/706207309.db2.gz OEZGLSDWWJPLER-UHFFFAOYSA-N 0 1 323.296 1.767 20 5 DDBDMN C[C@@H](CS(C)(=O)=O)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837560644 707682252 /nfs/dbraw/zinc/68/22/52/707682252.db2.gz WYWULUPEDIQNSJ-QMMMGPOBSA-N 0 1 317.319 1.024 20 5 DDBDMN Cc1c(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000873136612 707745145 /nfs/dbraw/zinc/74/51/45/707745145.db2.gz FLPLYUXXTAFIHI-GXFFZTMASA-N 0 1 312.391 1.959 20 5 DDBDMN CC(C)C[C@H]1CN(C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000886597442 708787583 /nfs/dbraw/zinc/78/75/83/708787583.db2.gz DUCHYKXUMZBTDQ-LBPRGKRZSA-N 0 1 322.365 1.498 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3ncccn3)C2)n1 ZINC000886681123 708812912 /nfs/dbraw/zinc/81/29/12/708812912.db2.gz SLSWNTSDWOPUBX-LBPRGKRZSA-N 0 1 302.338 1.461 20 5 DDBDMN C[C@H]1[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928431522 713192636 /nfs/dbraw/zinc/19/26/36/713192636.db2.gz FBEXYQXVJIIWOX-SMDDNHRTSA-N 0 1 319.361 1.767 20 5 DDBDMN CN1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000928554903 713224372 /nfs/dbraw/zinc/22/43/72/713224372.db2.gz LBUSIIWDRLMKAS-SNVBAGLBSA-N 0 1 300.318 1.577 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903628127 711229860 /nfs/dbraw/zinc/22/98/60/711229860.db2.gz YKWALBSOLHYODE-SCRDCRAPSA-N 0 1 306.318 1.756 20 5 DDBDMN CN1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1CO ZINC000894883894 711307725 /nfs/dbraw/zinc/30/77/25/711307725.db2.gz BKVICEWRKUUAJK-NSHDSACASA-N 0 1 302.334 1.256 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912484927 711348027 /nfs/dbraw/zinc/34/80/27/711348027.db2.gz ZNJQABCEOMNTNK-OPRDCNLKSA-N 0 1 309.288 1.137 20 5 DDBDMN O=C(NC12CCN(CC1)C2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000913637258 713274129 /nfs/dbraw/zinc/27/41/29/713274129.db2.gz CKBMVGWLHCDAKO-UHFFFAOYSA-N 0 1 313.716 1.965 20 5 DDBDMN Cc1c(C(=O)N[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000918395282 713541555 /nfs/dbraw/zinc/54/15/55/713541555.db2.gz MWSPVBUXFGMYOE-SNVBAGLBSA-N 0 1 322.321 1.635 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2CCCC2)C1 ZINC000967950682 719101379 /nfs/dbraw/zinc/10/13/79/719101379.db2.gz WFAOAFARWYFNPY-ZIAGYGMSSA-N 0 1 323.393 1.291 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ncccc2C)C1 ZINC000950053035 720469198 /nfs/dbraw/zinc/46/91/98/720469198.db2.gz UBVVKYRTCVWZJQ-UKRRQHHQSA-N 0 1 318.377 1.088 20 5 DDBDMN COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001120873809 782202028 /nfs/dbraw/zinc/20/20/28/782202028.db2.gz GYEXGHRHKQUKQF-BLLLJJGKSA-N 0 1 322.409 1.787 20 5 DDBDMN Cc1cccnc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001125424482 733290612 /nfs/dbraw/zinc/29/06/12/733290612.db2.gz JMDSEYPQMQPIQR-UHFFFAOYSA-N 0 1 320.374 1.879 20 5 DDBDMN O=C(N[C@@H]1[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1CC1 ZINC001025645522 736808004 /nfs/dbraw/zinc/80/80/04/736808004.db2.gz NETNXRLWHAQYPB-FICVDOATSA-N 0 1 301.346 1.551 20 5 DDBDMN O=C(CN1CCCC1)N[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC001059233395 740439371 /nfs/dbraw/zinc/43/93/71/740439371.db2.gz FPEBOFTYHUGHRQ-HAQNSBGRSA-N 0 1 319.365 1.145 20 5 DDBDMN O=C(Cc1cnc[nH]1)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001059426800 740916108 /nfs/dbraw/zinc/91/61/08/740916108.db2.gz VASVPPDWCHSXKN-HAQNSBGRSA-N 0 1 315.333 1.620 20 5 DDBDMN Cc1ccc2[nH]nnc2c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001180754023 742911345 /nfs/dbraw/zinc/91/13/45/742911345.db2.gz PVNAVPDAXCIUQH-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)c1nnc[nH]1 ZINC001186003051 744324934 /nfs/dbraw/zinc/32/49/34/744324934.db2.gz BTWXRTUGFZFMJC-MRVPVSSYSA-N 0 1 316.321 1.778 20 5 DDBDMN Cc1ccccc1CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001188025732 744652712 /nfs/dbraw/zinc/65/27/12/744652712.db2.gz OJTXHGGPLGKEID-UHFFFAOYSA-N 0 1 321.358 1.819 20 5 DDBDMN O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)c1ncc[nH]1 ZINC001188434930 744703611 /nfs/dbraw/zinc/70/36/11/744703611.db2.gz LPRWMSKBVWLODK-UHFFFAOYSA-N 0 1 322.346 1.671 20 5 DDBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3cccnc3[N+](=O)[O-])C2)n1 ZINC001192730221 745869726 /nfs/dbraw/zinc/86/97/26/745869726.db2.gz GEOKNURBELMTKR-LLVKDONJSA-N 0 1 302.338 1.796 20 5 DDBDMN CC(C)OC(=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196907314 747004951 /nfs/dbraw/zinc/00/49/51/747004951.db2.gz LAZLCFIUYBVPNB-HNNXBMFYSA-N 0 1 310.350 1.734 20 5 DDBDMN COc1ccc(CNCc2cnc3cnccn23)cc1[N+](=O)[O-] ZINC001200223895 748169485 /nfs/dbraw/zinc/16/94/85/748169485.db2.gz POKFTRZZVQCJOZ-UHFFFAOYSA-N 0 1 313.317 1.936 20 5 DDBDMN CN(CCCNC(=O)c1[nH]ncc1F)c1ccc([N+](=O)[O-])cn1 ZINC001095725066 750172258 /nfs/dbraw/zinc/17/22/58/750172258.db2.gz STMMZWQYUHZJBH-UHFFFAOYSA-N 0 1 322.300 1.108 20 5 DDBDMN CC(=O)NCCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001111309767 750444676 /nfs/dbraw/zinc/44/46/76/750444676.db2.gz ZMCHZHAQBIMFKM-UHFFFAOYSA-N 0 1 306.366 1.607 20 5 DDBDMN CCN(C(=O)CCCC1CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080302277 755814147 /nfs/dbraw/zinc/81/41/47/755814147.db2.gz BXVRTMBNYGDORR-ZIAGYGMSSA-N 0 1 323.393 1.291 20 5 DDBDMN COC(=O)[C@H](N)C1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001155153982 760694348 /nfs/dbraw/zinc/69/43/48/760694348.db2.gz JEZVEBVTPVHYLI-CYBMUJFWSA-N 0 1 308.338 1.015 20 5 DDBDMN COc1ccc(C[C@H](C)N2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334097 766256944 /nfs/dbraw/zinc/25/69/44/766256944.db2.gz BLDCXUKLPVYLEM-AAEUAGOBSA-N 0 1 310.350 1.228 20 5 DDBDMN Cc1n[nH]cc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001132143565 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ZINC000599561705 357973513 /nfs/dbraw/zinc/97/35/13/357973513.db2.gz CEXOHBDOXKIJEC-HNNXBMFYSA-N 0 1 324.333 1.238 20 5 DDBDMN COC(=O)C1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000599688075 358025937 /nfs/dbraw/zinc/02/59/37/358025937.db2.gz HUBGQTLEDXBMQF-GHMZBOCLSA-N 0 1 310.354 1.453 20 5 DDBDMN COc1cccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])OC)c1 ZINC000600163187 358143181 /nfs/dbraw/zinc/14/31/81/358143181.db2.gz BCXSTYBWUATGGA-LBPRGKRZSA-N 0 1 320.305 1.444 20 5 DDBDMN C[C@H](NCC(=O)N1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180412922 199155310 /nfs/dbraw/zinc/15/53/10/199155310.db2.gz RYCBUHZMEQVJRW-AVGNSLFASA-N 0 1 321.377 1.881 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601974190 358761477 /nfs/dbraw/zinc/76/14/77/358761477.db2.gz QNAFAZDHSIGFFX-RWMBFGLXSA-N 0 1 319.361 1.808 20 5 DDBDMN COc1cc(CN2C[C@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964605 359327760 /nfs/dbraw/zinc/32/77/60/359327760.db2.gz RWDUEEYRCIIWSC-IUODEOHRSA-N 0 1 310.350 1.575 20 5 DDBDMN CC[C@@H](NCCS(=O)(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000187193292 200075502 /nfs/dbraw/zinc/07/55/02/200075502.db2.gz NLAVIAAWJMOHSE-GFCCVEGCSA-N 0 1 301.368 1.185 20 5 DDBDMN Cc1c(C(=O)N2CCN[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237640114 202314269 /nfs/dbraw/zinc/31/42/69/202314269.db2.gz XSQUVBWUHNNXST-QMMMGPOBSA-N 0 1 308.294 1.245 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2cn[nH]c2C1 ZINC000611008585 360599917 /nfs/dbraw/zinc/59/99/17/360599917.db2.gz CCTZSEGDNAEIRO-UHFFFAOYSA-N 0 1 315.333 1.623 20 5 DDBDMN CCN1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000611091891 360621326 /nfs/dbraw/zinc/62/13/26/360621326.db2.gz BUTZGNGYRDEOGJ-CYBMUJFWSA-N 0 1 320.393 1.868 20 5 DDBDMN COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000612539389 361058664 /nfs/dbraw/zinc/05/86/64/361058664.db2.gz HWIQQYFSFCARNC-GFCCVEGCSA-N 0 1 323.349 1.141 20 5 DDBDMN [NH3+][C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000194735189 201280148 /nfs/dbraw/zinc/28/01/48/201280148.db2.gz XDDWEJKQPLHUGX-VIFPVBQESA-N 0 1 319.770 1.264 20 5 DDBDMN COc1ccc(OCC[N@H+]2CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000262286903 203250158 /nfs/dbraw/zinc/25/01/58/203250158.db2.gz MOLHSYDHKRIDRB-LBPRGKRZSA-N 0 1 324.333 1.921 20 5 DDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc[nH]n1 ZINC000266155590 205142805 /nfs/dbraw/zinc/14/28/05/205142805.db2.gz YCYNOEDYTDZASX-VIFPVBQESA-N 0 1 321.362 1.552 20 5 DDBDMN CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CCN1C[C@H](C)O ZINC000266309738 205255921 /nfs/dbraw/zinc/25/59/21/205255921.db2.gz DIKFHRDHFWDIDC-STQMWFEESA-N 0 1 308.382 1.580 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000266324247 205266574 /nfs/dbraw/zinc/26/65/74/205266574.db2.gz FYQZRYZCMRWFNG-LBPRGKRZSA-N 0 1 308.382 1.651 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000284554019 218075925 /nfs/dbraw/zinc/07/59/25/218075925.db2.gz XVATYVYBLIQXEM-LURJTMIESA-N 0 1 322.300 1.488 20 5 DDBDMN C[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC1=O ZINC000338896031 250186824 /nfs/dbraw/zinc/18/68/24/250186824.db2.gz TYCVJTXZAFKHBW-SNVBAGLBSA-N 0 1 321.333 1.431 20 5 DDBDMN CC[N@H+]1CCCC[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579597775 422799997 /nfs/dbraw/zinc/79/99/97/422799997.db2.gz DQUITLWCRHEBLB-JTQLQIEISA-N 0 1 308.338 1.974 20 5 DDBDMN CNC(=O)CC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269204428 207324032 /nfs/dbraw/zinc/32/40/32/207324032.db2.gz STJDYAWAFJRUJO-UHFFFAOYSA-N 0 1 321.333 1.289 20 5 DDBDMN C[C@@H]1CCCC[N@H+]1CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567980297 304258149 /nfs/dbraw/zinc/25/81/49/304258149.db2.gz YENJVRDLBJWUCZ-SNVBAGLBSA-N 0 1 308.338 1.974 20 5 DDBDMN COc1cc(C(=O)N2CCN[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000158005776 197235082 /nfs/dbraw/zinc/23/50/82/197235082.db2.gz DJKWYBXLXVEFKQ-SECBINFHSA-N 0 1 309.322 1.046 20 5 DDBDMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000120549187 195189061 /nfs/dbraw/zinc/18/90/61/195189061.db2.gz NFQPZUUGNMGDEL-JSGCOSHPSA-N 0 1 305.378 1.936 20 5 DDBDMN C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120833999 195246242 /nfs/dbraw/zinc/24/62/42/195246242.db2.gz YOJNVNHTLIYMOW-DTWKUNHWSA-N 0 1 320.342 1.419 20 5 DDBDMN COCCCOCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271603977 209051124 /nfs/dbraw/zinc/05/11/24/209051124.db2.gz UFINQDWZAMUVMJ-HNNXBMFYSA-N 0 1 312.366 1.613 20 5 DDBDMN CO[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000452822162 286057435 /nfs/dbraw/zinc/05/74/35/286057435.db2.gz DAWCJSJRQSYWEQ-ZJUUUORDSA-N 0 1 310.354 1.938 20 5 DDBDMN COc1ccc(CNCc2cnc(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414300683 533677368 /nfs/dbraw/zinc/67/73/68/533677368.db2.gz LAZFWSJRHHPOFO-UHFFFAOYSA-N 0 1 319.365 1.693 20 5 DDBDMN CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC(C)(C)[NH2+]1 ZINC000011422845 406827625 /nfs/dbraw/zinc/82/76/25/406827625.db2.gz OKBGUJNDELDYQN-UHFFFAOYSA-N 0 1 322.365 1.734 20 5 DDBDMN CC(C)NC(=O)CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026259563 406903848 /nfs/dbraw/zinc/90/38/48/406903848.db2.gz LONGRPNNBAHLEU-UHFFFAOYSA-N 0 1 322.365 1.380 20 5 DDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078544621 407033310 /nfs/dbraw/zinc/03/33/10/407033310.db2.gz SBQSKRZFMGPMBG-LBPRGKRZSA-N 0 1 321.381 1.352 20 5 DDBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCC2 ZINC000089835044 407153164 /nfs/dbraw/zinc/15/31/64/407153164.db2.gz NWZJWUDWNAJVNE-UHFFFAOYSA-N 0 1 300.318 1.779 20 5 DDBDMN Cc1c(CC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000125428075 407388184 /nfs/dbraw/zinc/38/81/84/407388184.db2.gz MFGOUYOCESJODV-AWEZNQCLSA-N 0 1 305.378 1.998 20 5 DDBDMN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000126786520 407421748 /nfs/dbraw/zinc/42/17/48/407421748.db2.gz WAURMIUWAXNPSL-UWVGGRQHSA-N 0 1 304.310 1.428 20 5 DDBDMN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000271010975 407467059 /nfs/dbraw/zinc/46/70/59/407467059.db2.gz ZSXFOQLZQMCTIK-YGRLFVJLSA-N 0 1 308.334 1.664 20 5 DDBDMN Cc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000127620945 407445155 /nfs/dbraw/zinc/44/51/55/407445155.db2.gz BMLMWIUDSRQYOI-UHFFFAOYSA-N 0 1 318.377 1.893 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)Cc2cccnc2)c1 ZINC000178867024 407633645 /nfs/dbraw/zinc/63/36/45/407633645.db2.gz ROLYUIYRMNQTIA-MRXNPFEDSA-N 0 1 317.345 1.518 20 5 DDBDMN C[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000171269279 407646697 /nfs/dbraw/zinc/64/66/97/407646697.db2.gz XRNGKQRRRIRADQ-UHFFFAOYSA-N 0 1 308.338 1.157 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000115716899 407701828 /nfs/dbraw/zinc/70/18/28/407701828.db2.gz ZVPFZAPJUWFYPQ-NSHDSACASA-N 0 1 323.397 1.684 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCn3cccc3[C@H]2C)c1[N+](=O)[O-] ZINC000171664351 407735424 /nfs/dbraw/zinc/73/54/24/407735424.db2.gz KPDHTXFWGKGNHX-SECBINFHSA-N 0 1 303.322 1.899 20 5 DDBDMN CSC[C@H](CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153082680 407749770 /nfs/dbraw/zinc/74/97/70/407749770.db2.gz SDUXYMSWBQQUGY-QMMMGPOBSA-N 0 1 324.362 1.315 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000267329886 407837442 /nfs/dbraw/zinc/83/74/42/407837442.db2.gz BNRPPJNCUOBVEX-LBPRGKRZSA-N 0 1 309.341 1.892 20 5 DDBDMN CCOC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173465507 407880845 /nfs/dbraw/zinc/88/08/45/407880845.db2.gz LCMKLGYNMXOTNJ-NSHDSACASA-N 0 1 308.338 1.429 20 5 DDBDMN CC(C)(C)C(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272559949 407982502 /nfs/dbraw/zinc/98/25/02/407982502.db2.gz QOADSNNLOOLEQF-UHFFFAOYSA-N 0 1 309.322 1.193 20 5 DDBDMN O=C1NCCCN1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000135420807 408015345 /nfs/dbraw/zinc/01/53/45/408015345.db2.gz QXQSDGBZRDDXQO-UHFFFAOYSA-N 0 1 318.377 1.975 20 5 DDBDMN Cn1ccnc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000119844451 408110512 /nfs/dbraw/zinc/11/05/12/408110512.db2.gz YYVQQXZACZQCEJ-UHFFFAOYSA-N 0 1 312.289 1.971 20 5 DDBDMN Cc1c(CN2CCC3(CC2)NC(=O)NC3=O)cccc1[N+](=O)[O-] ZINC000263949162 408324434 /nfs/dbraw/zinc/32/44/34/408324434.db2.gz CXGLCNJMLFJTKF-UHFFFAOYSA-N 0 1 318.333 1.077 20 5 DDBDMN O=C(NC[C@H]1CC(=O)Nc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000132599624 162040032 /nfs/dbraw/zinc/04/00/32/162040032.db2.gz MXYGDBSQJYNEDX-MRVPVSSYSA-N 0 1 315.289 1.174 20 5 DDBDMN C[C@H](O)[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000183182441 408344634 /nfs/dbraw/zinc/34/46/34/408344634.db2.gz UVZJBTZZAIWLEJ-JQWIXIFHSA-N 0 1 318.333 1.848 20 5 DDBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183560057 408440580 /nfs/dbraw/zinc/44/05/80/408440580.db2.gz ZSKUBMASTYDLDP-ZDUSSCGKSA-N 0 1 307.354 1.794 20 5 DDBDMN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000160223822 408465880 /nfs/dbraw/zinc/46/58/80/408465880.db2.gz IJAKUFDOYQKPIQ-VHSXEESVSA-N 0 1 323.353 1.131 20 5 DDBDMN NC(=O)C1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCC1 ZINC000274635087 408477270 /nfs/dbraw/zinc/47/72/70/408477270.db2.gz OYPWWECZIONAOE-UHFFFAOYSA-N 0 1 307.306 1.218 20 5 DDBDMN CCCCCN(CCO)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000270745513 408663879 /nfs/dbraw/zinc/66/38/79/408663879.db2.gz LWTSJYUFQXVKNZ-UHFFFAOYSA-N 0 1 312.370 1.895 20 5 DDBDMN CCC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000177653085 408678398 /nfs/dbraw/zinc/67/83/98/408678398.db2.gz KTGJIKXKHXPQFZ-SECBINFHSA-N 0 1 320.309 1.144 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCCCO)cccc1[N+](=O)[O-] ZINC000276460232 408862792 /nfs/dbraw/zinc/86/27/92/408862792.db2.gz XINHBMSGMLQHOB-GFCCVEGCSA-N 0 1 309.366 1.935 20 5 DDBDMN CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])[nH]1 ZINC000277420018 408937851 /nfs/dbraw/zinc/93/78/51/408937851.db2.gz AXBOIRCUYCXEAH-NKWVEPMBSA-N 0 1 307.314 1.441 20 5 DDBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])n[nH]1 ZINC000277420018 408937855 /nfs/dbraw/zinc/93/78/55/408937855.db2.gz AXBOIRCUYCXEAH-NKWVEPMBSA-N 0 1 307.314 1.441 20 5 DDBDMN CCC[C@H](C)C(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000294102681 409241461 /nfs/dbraw/zinc/24/14/61/409241461.db2.gz RGKAWBGLOJCYOL-JTQLQIEISA-N 0 1 323.349 1.583 20 5 DDBDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000294184066 409256666 /nfs/dbraw/zinc/25/66/66/409256666.db2.gz PEORJGFOQZZQMN-MRXNPFEDSA-N 0 1 319.361 1.858 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000294211622 409260407 /nfs/dbraw/zinc/26/04/07/409260407.db2.gz YGYZWPUHAYKIFQ-HQJQHLMTSA-N 0 1 300.265 1.744 20 5 DDBDMN CC[C@H](CO)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295655214 409360681 /nfs/dbraw/zinc/36/06/81/409360681.db2.gz HSIXEHQZKNFOME-GFCCVEGCSA-N 0 1 307.350 1.187 20 5 DDBDMN O=C(NC[C@H]1CCC[C@@H](O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000304318857 409606736 /nfs/dbraw/zinc/60/67/36/409606736.db2.gz IMSKDUVFWFNKCL-GXSJLCMTSA-N 0 1 318.333 1.752 20 5 DDBDMN C/C=C\C[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354182020 409728293 /nfs/dbraw/zinc/72/82/93/409728293.db2.gz OAVUANSJIACBJA-PKRMOACSSA-N 0 1 304.306 1.528 20 5 DDBDMN CO[C@@H](C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000354367298 409801713 /nfs/dbraw/zinc/80/17/13/409801713.db2.gz JSASUAXXZZLBSD-NSHDSACASA-N 0 1 309.366 1.939 20 5 DDBDMN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccncc1F ZINC000338343168 409924855 /nfs/dbraw/zinc/92/48/55/409924855.db2.gz NJIGQKHMXJTARF-JTQLQIEISA-N 0 1 306.297 1.641 20 5 DDBDMN C[C@@H](CC(C)(C)O)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000297243654 409872024 /nfs/dbraw/zinc/87/20/24/409872024.db2.gz PRMVDNKYUIIPSS-QMMMGPOBSA-N 0 1 306.322 1.750 20 5 DDBDMN COC(=O)c1cc(C)nc(N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000342835807 409938946 /nfs/dbraw/zinc/93/89/46/409938946.db2.gz QOPXAQBAOVVKHY-CMPLNLGQSA-N 0 1 322.365 1.979 20 5 DDBDMN CCCNC(=O)C1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000354561989 409939104 /nfs/dbraw/zinc/93/91/04/409939104.db2.gz OGWHOMNZNHMTBO-UHFFFAOYSA-N 0 1 323.353 1.005 20 5 DDBDMN O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000357671858 410179213 /nfs/dbraw/zinc/17/92/13/410179213.db2.gz AKEKZOWBJNDSTH-LLVKDONJSA-N 0 1 315.333 1.675 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000343355443 410388585 /nfs/dbraw/zinc/38/85/85/410388585.db2.gz WIFYQIVKDMKUGC-SSDOTTSWSA-N 0 1 307.285 1.580 20 5 DDBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](NC(N)=O)C1 ZINC000347361671 410496404 /nfs/dbraw/zinc/49/64/04/410496404.db2.gz PWMBVKBYKCWAIX-HJTPGIPUSA-N 0 1 304.350 1.741 20 5 DDBDMN C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N1CCN(C)CC1 ZINC000301766701 410789522 /nfs/dbraw/zinc/78/95/22/410789522.db2.gz DFSWRJHYJKBRLJ-SNVBAGLBSA-N 0 1 314.336 1.921 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cnc[nH]2)cc1OC ZINC000359696799 410822716 /nfs/dbraw/zinc/82/27/16/410822716.db2.gz DTSNZHUGGLTBOV-UHFFFAOYSA-N 0 1 320.305 1.655 20 5 DDBDMN C[C@@H]1CN(C)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330678258 410872590 /nfs/dbraw/zinc/87/25/90/410872590.db2.gz WLJHKOFSPGOMIQ-GFCCVEGCSA-N 0 1 306.366 1.194 20 5 DDBDMN O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)C(F)(F)F)CC2)n1 ZINC000331112469 410955566 /nfs/dbraw/zinc/95/55/66/410955566.db2.gz CEUQAMRXQIPPFN-SECBINFHSA-N 0 1 308.260 1.351 20 5 DDBDMN Cc1ccc(S(=O)(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000128922044 196004267 /nfs/dbraw/zinc/00/42/67/196004267.db2.gz NNSUYTCMHPATDW-QMMMGPOBSA-N 0 1 311.323 1.061 20 5 DDBDMN CC(=O)NCC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000360428360 418432097 /nfs/dbraw/zinc/43/20/97/418432097.db2.gz XCIQUXGZAVKZLW-NSHDSACASA-N 0 1 323.353 1.005 20 5 DDBDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000366156451 418434948 /nfs/dbraw/zinc/43/49/48/418434948.db2.gz PGSWPGZKGGZKKC-RFGFWPKPSA-N 0 1 318.329 1.557 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374459188 418531744 /nfs/dbraw/zinc/53/17/44/418531744.db2.gz BVLJHGQPOMNGQT-LBPRGKRZSA-N 0 1 301.306 1.829 20 5 DDBDMN Cc1c([C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000360848405 418533786 /nfs/dbraw/zinc/53/37/86/418533786.db2.gz KJNFMOQACJLTCD-CYBMUJFWSA-N 0 1 304.354 1.670 20 5 DDBDMN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000371231480 418769725 /nfs/dbraw/zinc/76/97/25/418769725.db2.gz WMAKTUARHPVZCG-SNVBAGLBSA-N 0 1 318.289 1.580 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(c2ccc(F)cc2)CC1 ZINC000371451574 418792806 /nfs/dbraw/zinc/79/28/06/418792806.db2.gz FYMTVHKJHWQHEW-KGLIPLIRSA-N 0 1 307.325 1.530 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C2CC2)C1 ZINC000365840938 418915418 /nfs/dbraw/zinc/91/54/18/418915418.db2.gz XBJOLLCGFALCMQ-ZBEGNZNMSA-N 0 1 319.361 1.769 20 5 DDBDMN CCC[C@@H]1CNCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417949599 419415959 /nfs/dbraw/zinc/41/59/59/419415959.db2.gz VGMJELZSKWJNDF-OAHLLOKOSA-N 0 1 320.393 1.921 20 5 DDBDMN O=C(CN1CCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000426241815 419418049 /nfs/dbraw/zinc/41/80/49/419418049.db2.gz XEKWEDDOLCNWAV-CYBMUJFWSA-N 0 1 319.361 1.331 20 5 DDBDMN Cc1[nH]nc(C(=O)N(CCO)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000427565700 419683774 /nfs/dbraw/zinc/68/37/74/419683774.db2.gz UKRGCQNRVUKOBZ-UHFFFAOYSA-N 0 1 322.296 1.400 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000421796951 419733434 /nfs/dbraw/zinc/73/34/34/419733434.db2.gz ADBSJSBOAPRKCY-JTQLQIEISA-N 0 1 318.337 1.600 20 5 DDBDMN COC1([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOCC1 ZINC000422077943 419834482 /nfs/dbraw/zinc/83/44/82/419834482.db2.gz LTDPKIGTLMWTGQ-SNVBAGLBSA-N 0 1 324.333 1.614 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H]1C ZINC000430231956 420091810 /nfs/dbraw/zinc/09/18/10/420091810.db2.gz DNRHJSRXBUYVDY-GXFFZTMASA-N 0 1 308.334 1.987 20 5 DDBDMN O=C([C@H]1CNCCO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730947 420146685 /nfs/dbraw/zinc/14/66/85/420146685.db2.gz XFLDWAZLSYDDCJ-CQSZACIVSA-N 0 1 305.334 1.074 20 5 DDBDMN O=C(NC[C@H](O)C1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456853064 420555377 /nfs/dbraw/zinc/55/53/77/420555377.db2.gz DLDGVFLSDONSOK-LBPRGKRZSA-N 0 1 304.306 1.362 20 5 DDBDMN COc1ccc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449534831 421023758 /nfs/dbraw/zinc/02/37/58/421023758.db2.gz NDDCLDSGXBVXDQ-BETUJISGSA-N 0 1 323.393 1.490 20 5 DDBDMN C[C@H]1CN(CCO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449787388 421084817 /nfs/dbraw/zinc/08/48/17/421084817.db2.gz VEEJEDSCXCOQMY-NSHDSACASA-N 0 1 313.785 1.747 20 5 DDBDMN CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456342804 421144744 /nfs/dbraw/zinc/14/47/44/421144744.db2.gz CLZOXBOFQMNINX-GFCCVEGCSA-N 0 1 307.350 1.857 20 5 DDBDMN Cn1cc(C(C)(C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000548126504 421404070 /nfs/dbraw/zinc/40/40/70/421404070.db2.gz TXNOCANALJJIDZ-UHFFFAOYSA-N 0 1 304.306 1.699 20 5 DDBDMN O=C(NCCCOCC(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541872762 421810081 /nfs/dbraw/zinc/81/00/81/421810081.db2.gz GGQBAYBUQIKMOZ-UHFFFAOYSA-N 0 1 322.239 1.999 20 5 DDBDMN CO[C@@H]1C[C@H](CC(=O)[O-])[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000572489772 421794482 /nfs/dbraw/zinc/79/44/82/421794482.db2.gz CTOWFPIUVYYFMV-NXEZZACHSA-N 0 1 300.336 1.720 20 5 DDBDMN CO[C@@H]1C[C@H](CC(=O)[O-])[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000572489772 421794485 /nfs/dbraw/zinc/79/44/85/421794485.db2.gz CTOWFPIUVYYFMV-NXEZZACHSA-N 0 1 300.336 1.720 20 5 DDBDMN C[C@@H](C(=O)N(C)C[C@H](C)c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000559391856 421834305 /nfs/dbraw/zinc/83/43/05/421834305.db2.gz RYKKVXOYCXLPJB-VHSXEESVSA-N 0 1 318.337 1.474 20 5 DDBDMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573332084 421946492 /nfs/dbraw/zinc/94/64/92/421946492.db2.gz LIASURGXZXSJOT-CQSZACIVSA-N 0 1 316.317 1.475 20 5 DDBDMN CC(C)C[N@@H+](C)CCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593755391 422341208 /nfs/dbraw/zinc/34/12/08/422341208.db2.gz GABWSINXGMTWSZ-UHFFFAOYSA-N 0 1 310.354 2.078 20 5 DDBDMN CC(=O)[C@@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000341594852 271132363 /nfs/dbraw/zinc/13/23/63/271132363.db2.gz SRKGMJWXIOUBIG-ZBEGNZNMSA-N 0 1 321.377 1.975 20 5 DDBDMN O=C(NCc1cccc(-c2ncc[nH]2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000342064298 271287931 /nfs/dbraw/zinc/28/79/31/271287931.db2.gz KYSRYMNZSPBAOA-UHFFFAOYSA-N 0 1 312.289 1.638 20 5 DDBDMN O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1[n-]ncc1[N+](=O)[O-] ZINC000342064298 271287933 /nfs/dbraw/zinc/28/79/33/271287933.db2.gz KYSRYMNZSPBAOA-UHFFFAOYSA-N 0 1 312.289 1.638 20 5 DDBDMN COc1cc(CNC[C@@H](O)C(F)F)c([N+](=O)[O-])cc1OC ZINC000344764662 272113059 /nfs/dbraw/zinc/11/30/59/272113059.db2.gz BZFCNZAARRCPLT-SECBINFHSA-N 0 1 306.265 1.328 20 5 DDBDMN CC(C)[C@H](CO)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000344823261 272125088 /nfs/dbraw/zinc/12/50/88/272125088.db2.gz IKRIDVPWVOFIBC-VIFPVBQESA-N 0 1 320.342 1.277 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)Cc2csc(C)n2)c1[N+](=O)[O-] ZINC000345941121 272371220 /nfs/dbraw/zinc/37/12/20/272371220.db2.gz QGATVOMELHWKIE-UHFFFAOYSA-N 0 1 309.351 1.917 20 5 DDBDMN CC(C)[C@H](CO)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346014261 272389630 /nfs/dbraw/zinc/38/96/30/272389630.db2.gz QUBFNYYIGNNBRM-VIFPVBQESA-N 0 1 306.322 1.465 20 5 DDBDMN CC[C@H](C)N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000450867780 273744243 /nfs/dbraw/zinc/74/42/43/273744243.db2.gz ZZRNYLKHJBPYRJ-NSHDSACASA-N 0 1 306.366 1.614 20 5 DDBDMN CCN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000102183692 276131680 /nfs/dbraw/zinc/13/16/80/276131680.db2.gz NNBCVKCICVDEPS-UHFFFAOYSA-N 0 1 313.379 1.357 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCNC(=O)[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000269316888 278000325 /nfs/dbraw/zinc/00/03/25/278000325.db2.gz ADIZLBNLXUGNMO-LLVKDONJSA-N 0 1 323.353 1.038 20 5 DDBDMN CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275136145 278451233 /nfs/dbraw/zinc/45/12/33/278451233.db2.gz CPEPOQPLBKXTRI-NXEZZACHSA-N 0 1 318.326 1.172 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C3CC3)CC2)c1 ZINC000125909103 281220171 /nfs/dbraw/zinc/22/01/71/281220171.db2.gz TZTXPNJNHDTIHG-HNNXBMFYSA-N 0 1 321.377 1.115 20 5 DDBDMN Cc1nc([C@H]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)n[nH]1 ZINC000297490435 282001264 /nfs/dbraw/zinc/00/12/64/282001264.db2.gz MMBOBXUJZYLWTE-JTQLQIEISA-N 0 1 303.326 1.504 20 5 DDBDMN Cc1nnc([C@H]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)C2)[nH]1 ZINC000297490435 282001267 /nfs/dbraw/zinc/00/12/67/282001267.db2.gz MMBOBXUJZYLWTE-JTQLQIEISA-N 0 1 303.326 1.504 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000363126270 300215654 /nfs/dbraw/zinc/21/56/54/300215654.db2.gz FNNSLFPDGFHIHD-KGLIPLIRSA-N 0 1 308.309 1.861 20 5 DDBDMN C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000129772193 300287714 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CN(C)C(=O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269681883 408390022 /nfs/dbraw/zinc/39/00/22/408390022.db2.gz YGBJDJRWTHVADI-OAHLLOKOSA-N 0 1 321.377 1.428 20 5 DDBDMN C[N@H+]1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268363 408440963 /nfs/dbraw/zinc/44/09/63/408440963.db2.gz KGDKJGXCIKJHIH-SMDDNHRTSA-N 0 1 315.333 1.493 20 5 DDBDMN CN1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268363 408440982 /nfs/dbraw/zinc/44/09/82/408440982.db2.gz KGDKJGXCIKJHIH-SMDDNHRTSA-N 0 1 315.333 1.493 20 5 DDBDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000274828899 408546949 /nfs/dbraw/zinc/54/69/49/408546949.db2.gz YZLFSKDVDAYPLL-LBPRGKRZSA-N 0 1 307.350 1.903 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000161199238 408571238 /nfs/dbraw/zinc/57/12/38/408571238.db2.gz ZNPQBWZNMRCUMU-SSDOTTSWSA-N 0 1 321.312 1.709 20 5 DDBDMN Cc1cnc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275601602 408615574 /nfs/dbraw/zinc/61/55/74/408615574.db2.gz SHSDEBPTEUOFQE-LBPRGKRZSA-N 0 1 308.382 1.580 20 5 DDBDMN Cc1cnc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275601602 408615577 /nfs/dbraw/zinc/61/55/77/408615577.db2.gz SHSDEBPTEUOFQE-LBPRGKRZSA-N 0 1 308.382 1.580 20 5 DDBDMN Nc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000184572398 408646051 /nfs/dbraw/zinc/64/60/51/408646051.db2.gz KPVQHXICAMETBV-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN Nc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC000184572398 408646054 /nfs/dbraw/zinc/64/60/54/408646054.db2.gz KPVQHXICAMETBV-UHFFFAOYSA-N 0 1 302.294 1.815 20 5 DDBDMN CCC[N@H+](CC(=O)[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000184914628 408714822 /nfs/dbraw/zinc/71/48/22/408714822.db2.gz PMBOSLBWPVMUGT-ZDUSSCGKSA-N 0 1 321.333 1.497 20 5 DDBDMN CCC[N@@H+](CC(=O)[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000184914628 408714825 /nfs/dbraw/zinc/71/48/25/408714825.db2.gz PMBOSLBWPVMUGT-ZDUSSCGKSA-N 0 1 321.333 1.497 20 5 DDBDMN Nc1c(C(=O)N2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000178172059 408783613 /nfs/dbraw/zinc/78/36/13/408783613.db2.gz QEXLPZBNPCNHKS-UHFFFAOYSA-N 0 1 304.350 1.345 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164636050 408802877 /nfs/dbraw/zinc/80/28/77/408802877.db2.gz LRSZJPDPYAEZHM-QWRGUYRKSA-N 0 1 321.333 1.718 20 5 DDBDMN CC1(C)SC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000276325271 408835974 /nfs/dbraw/zinc/83/59/74/408835974.db2.gz OBSIETBCEBZULG-SECBINFHSA-N 0 1 320.367 1.906 20 5 DDBDMN Nc1ccc([N+](=O)[O-])c(N2CC[C@H](CN3CCOCC3)C2)c1 ZINC000192795852 163238406 /nfs/dbraw/zinc/23/84/06/163238406.db2.gz AAVSBROGWOZUOZ-GFCCVEGCSA-N 0 1 306.366 1.336 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286354492 408968795 /nfs/dbraw/zinc/96/87/95/408968795.db2.gz HDLPMRFJPWHFKW-SNVBAGLBSA-N 0 1 308.338 1.037 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000283044805 409074887 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CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(CCO)CC1 ZINC000283977274 409250643 /nfs/dbraw/zinc/25/06/43/409250643.db2.gz ZRNURLKZDZZHSD-UHFFFAOYSA-N 0 1 307.350 1.302 20 5 DDBDMN NC(=O)[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284020302 409259083 /nfs/dbraw/zinc/25/90/83/409259083.db2.gz HSYYTEHKZQMAGE-NWDGAFQWSA-N 0 1 322.321 1.637 20 5 DDBDMN C[C@]1(C(N)=O)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000280274026 409282884 /nfs/dbraw/zinc/28/28/84/409282884.db2.gz MWOGCSFGFNYAOQ-ZDUSSCGKSA-N 0 1 308.294 1.200 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000295221625 409381900 /nfs/dbraw/zinc/38/19/00/409381900.db2.gz MTWNCPNVCUMRFO-CYBMUJFWSA-N 0 1 313.333 1.044 20 5 DDBDMN CN(Cc1ccccn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000295243785 409394396 /nfs/dbraw/zinc/39/43/96/409394396.db2.gz YKTZZNBLLJOMGD-OAHLLOKOSA-N 0 1 317.345 1.862 20 5 DDBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000295567765 409352440 /nfs/dbraw/zinc/35/24/40/409352440.db2.gz ZJFRSLBSTZGFDK-UHFFFAOYSA-N 0 1 305.269 1.659 20 5 DDBDMN CCc1nc(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000295299048 409420112 /nfs/dbraw/zinc/42/01/12/409420112.db2.gz JEPSHLKILXRVJL-UHFFFAOYSA-N 0 1 318.337 1.028 20 5 DDBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000407993570 164191471 /nfs/dbraw/zinc/19/14/71/164191471.db2.gz QFPGSRGIUSSUBZ-IAQYHMDHSA-N 0 1 308.334 1.680 20 5 DDBDMN Cc1cc(N2CCC[C@@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000285516457 409474560 /nfs/dbraw/zinc/47/45/60/409474560.db2.gz GIQXWQLZTHUQKO-SNVBAGLBSA-N 0 1 304.306 1.964 20 5 DDBDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000408182339 164254077 /nfs/dbraw/zinc/25/40/77/164254077.db2.gz JJSXAAJFPIDZKI-RYUDHWBXSA-N 0 1 306.366 1.632 20 5 DDBDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798517 409617093 /nfs/dbraw/zinc/61/70/93/409617093.db2.gz GLOLHYMIOYYQEO-YMTOWFKASA-N 0 1 305.334 1.513 20 5 DDBDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798492 409618271 /nfs/dbraw/zinc/61/82/71/409618271.db2.gz GLOLHYMIOYYQEO-OTYXRUKQSA-N 0 1 305.334 1.513 20 5 DDBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052079 409821606 /nfs/dbraw/zinc/82/16/06/409821606.db2.gz QXMANWCXANSZMM-MNOVXSKESA-N 0 1 307.354 1.027 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000342995766 410058851 /nfs/dbraw/zinc/05/88/51/410058851.db2.gz DYFLBRQCXKJKJJ-QMMMGPOBSA-N 0 1 321.312 1.834 20 5 DDBDMN CC(C)CC(=O)N1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000343316685 410346187 /nfs/dbraw/zinc/34/61/87/410346187.db2.gz GIEUTIYVHKFSAU-UHFFFAOYSA-N 0 1 323.353 1.085 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000351940184 410352991 /nfs/dbraw/zinc/35/29/91/410352991.db2.gz ZUCYTKUUCNAYSQ-VHSXEESVSA-N 0 1 307.354 1.127 20 5 DDBDMN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343275124 410301643 /nfs/dbraw/zinc/30/16/43/410301643.db2.gz JUVPPVQTVMSVGY-BXUZGUMPSA-N 0 1 316.317 1.826 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN([C@H](C)CO)CC2)c1 ZINC000347152521 410364859 /nfs/dbraw/zinc/36/48/59/410364859.db2.gz YPUXJGUXIIUGCM-CYBMUJFWSA-N 0 1 321.377 1.432 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000347301358 410454978 /nfs/dbraw/zinc/45/49/78/410454978.db2.gz FEZCMGUYXJLNLY-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN C[C@H]1[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CCC[N@H+]1C ZINC000343497482 410494431 /nfs/dbraw/zinc/49/44/31/410494431.db2.gz DPTXECOQXSRXBH-GWCFXTLKSA-N 0 1 317.349 2.539 20 5 DDBDMN CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299210920 410571465 /nfs/dbraw/zinc/57/14/65/410571465.db2.gz CUKTUDNTPCVFLW-CYBMUJFWSA-N 0 1 313.379 1.108 20 5 DDBDMN CCN(C[C@H](C)O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000352202909 410544989 /nfs/dbraw/zinc/54/49/89/410544989.db2.gz NLQALLCWHRECLO-CMPLNLGQSA-N 0 1 309.366 1.933 20 5 DDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000352952637 410697791 /nfs/dbraw/zinc/69/77/91/410697791.db2.gz VXJVMUKNUPRGIM-QWRGUYRKSA-N 0 1 313.379 1.356 20 5 DDBDMN C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000330449419 410697842 /nfs/dbraw/zinc/69/78/42/410697842.db2.gz HMMUDEHGXFNEKA-LBPRGKRZSA-N 0 1 323.393 1.577 20 5 DDBDMN CC(=O)c1ccc(NCCCc2nc(=O)[nH][nH]2)c([N+](=O)[O-])c1 ZINC000301454924 410723143 /nfs/dbraw/zinc/72/31/43/410723143.db2.gz VYZGELRORYAYDD-UHFFFAOYSA-N 0 1 305.294 1.254 20 5 DDBDMN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330599616 410815459 /nfs/dbraw/zinc/81/54/59/410815459.db2.gz ULMZLCIZBONOSL-VXGBXAGGSA-N 0 1 307.350 1.525 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCNC1=O ZINC000340222397 410772635 /nfs/dbraw/zinc/77/26/35/410772635.db2.gz MHFIGONZHKTCSP-CYBMUJFWSA-N 0 1 320.349 1.052 20 5 DDBDMN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330586594 410801068 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ZINC001118809430 781243985 /nfs/dbraw/zinc/24/39/85/781243985.db2.gz FFTNWUAYEIUNBU-UHFFFAOYSA-N 0 1 321.381 1.384 20 5 DDBDMN CC(C)(C)N1CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001119450845 781458446 /nfs/dbraw/zinc/45/84/46/781458446.db2.gz YYYKXEORJGUMPI-AWEZNQCLSA-N 0 1 320.393 1.996 20 5 DDBDMN Cc1nc(CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)s1 ZINC001268543264 840418212 /nfs/dbraw/zinc/41/82/12/840418212.db2.gz VJHKALODOWNQED-NAGRZINJSA-N 0 1 324.406 1.187 20 5 DDBDMN O=C(COc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCNCC1 ZINC001326806936 861622562 /nfs/dbraw/zinc/62/25/62/861622562.db2.gz YBSXWGCILSAHLK-UHFFFAOYSA-N 0 1 317.704 1.198 20 5 DDBDMN CC(C)(C(=O)NC[C@@H](O)c1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001155082823 861710623 /nfs/dbraw/zinc/71/06/23/861710623.db2.gz CJLNSSCQXBVESC-CYBMUJFWSA-N 0 1 318.333 1.445 20 5 DDBDMN CCCCCCC(=O)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001299345713 851825626 /nfs/dbraw/zinc/82/56/26/851825626.db2.gz LBQXXVZJXIXLQD-CHWSQXEVSA-N 0 1 311.382 1.291 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CN2CCN1C[C@H]2C ZINC001123879895 859452393 /nfs/dbraw/zinc/45/23/93/859452393.db2.gz JVSVCNQCEQGZSZ-BXUZGUMPSA-N 0 1 318.377 1.538 20 5 DDBDMN O=C(NCCOC(F)(F)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001154167203 860830856 /nfs/dbraw/zinc/83/08/56/860830856.db2.gz RHVVFDLKVHAGRG-UHFFFAOYSA-N 0 1 318.158 1.219 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC001159441418 865296087 /nfs/dbraw/zinc/29/60/87/865296087.db2.gz VGTLQQAOHVQTPN-WDEREUQCSA-N 0 1 308.338 1.800 20 5 DDBDMN C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1C1CCCC1 ZINC001332008376 865498066 /nfs/dbraw/zinc/49/80/66/865498066.db2.gz ZGBBYJDSBPJNHQ-SNVBAGLBSA-N 0 1 306.370 1.420 20 5 DDBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC001319728895 866256170 /nfs/dbraw/zinc/25/61/70/866256170.db2.gz GMMBDJVLZXPFLU-UHFFFAOYSA-N 0 1 314.252 1.708 20 5 DDBDMN NC(=O)COC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC001320509660 866787840 /nfs/dbraw/zinc/78/78/40/866787840.db2.gz QPJLAICOOLDDGY-HWKANZROSA-N 0 1 319.361 1.574 20 5 DDBDMN COc1cnc(-n2c(CN)nc3cnccc32)c([N+](=O)[O-])c1 ZINC001162215540 867349393 /nfs/dbraw/zinc/34/93/93/867349393.db2.gz GVNGULGPISDLHI-UHFFFAOYSA-N 0 1 300.278 1.191 20 5 DDBDMN CCN1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)n2C)CC1 ZINC001339542989 870547986 /nfs/dbraw/zinc/54/79/86/870547986.db2.gz FUDHIBRQXAUAKF-UHFFFAOYSA-N 0 1 322.394 1.594 20 5 DDBDMN Cc1ccc(CNC(=O)Cc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001302609408 871076106 /nfs/dbraw/zinc/07/61/06/871076106.db2.gz YEYWJMANSDMDNG-UHFFFAOYSA-N 0 1 315.333 1.758 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)Cc2cnc[nH]2)c1C ZINC001302760607 871082266 /nfs/dbraw/zinc/08/22/66/871082266.db2.gz JHHZGIZADQITQI-LBPRGKRZSA-N 0 1 318.333 1.268 20 5 DDBDMN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])O2 ZINC001303774135 871154746 /nfs/dbraw/zinc/15/47/46/871154746.db2.gz DYRVUTCOXRPEIC-QOBXEIRBSA-N 0 1 324.337 1.020 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)CC[C@H]2CO)c1[N+](=O)[O-] ZINC001303901107 871168061 /nfs/dbraw/zinc/16/80/61/871168061.db2.gz CAKTYLGRFPFUEZ-VIFPVBQESA-N 0 1 310.354 1.503 20 5 DDBDMN CNC(=O)[C@@]1(C)CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001205555931 871628202 /nfs/dbraw/zinc/62/82/02/871628202.db2.gz YKLVIOFQBPOHLL-HNNXBMFYSA-N 0 1 323.349 1.267 20 5 DDBDMN COC[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001345647015 873464173 /nfs/dbraw/zinc/46/41/73/873464173.db2.gz ODQWRSATXVVFRJ-JTQLQIEISA-N 0 1 313.741 1.309 20 5 DDBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CCOC[C@@H]2F)[nH]1 ZINC001227094831 882826810 /nfs/dbraw/zinc/82/68/10/882826810.db2.gz LBTFDZMLZAUMNC-ONGXEEELSA-N 0 1 309.253 1.749 20 5 DDBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CCOC[C@@H]2F)[nH]1 ZINC001227094826 882828299 /nfs/dbraw/zinc/82/82/99/882828299.db2.gz LBTFDZMLZAUMNC-GXSJLCMTSA-N 0 1 309.253 1.749 20 5 DDBDMN Cc1cnc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])s1 ZINC001209779407 875117560 /nfs/dbraw/zinc/11/75/60/875117560.db2.gz KQVSJPQWKCDGRD-UHFFFAOYSA-N 0 1 314.348 1.233 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC001349879651 875428866 /nfs/dbraw/zinc/42/88/66/875428866.db2.gz YXJSMUPTUFFBCK-JTQLQIEISA-N 0 1 304.310 1.302 20 5 DDBDMN C[N@H+]1CCC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228602607 883567839 /nfs/dbraw/zinc/56/78/39/883567839.db2.gz CTZMOUBNRQHSCX-SNVBAGLBSA-N 0 1 308.338 1.831 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nnc2c[nH]ccc1-2 ZINC001228990925 883758886 /nfs/dbraw/zinc/75/88/86/883758886.db2.gz UWILUSGZBXZECO-QMMMGPOBSA-N 0 1 302.294 1.839 20 5 DDBDMN CCN1CC[C@H](Oc2nc(NC(C)=O)nc(C)c2[N+](=O)[O-])C1 ZINC001234907425 888243002 /nfs/dbraw/zinc/24/30/02/888243002.db2.gz AZSPVCCSEKPBKK-JTQLQIEISA-N 0 1 309.326 1.125 20 5 DDBDMN O=C(CCC1CC1)NCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283447500 907367722 /nfs/dbraw/zinc/36/77/22/907367722.db2.gz PAZGAAGUMAMDQE-ZIAGYGMSSA-N 0 1 323.393 1.197 20 5 DDBDMN Cc1cccc(C(=O)NC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001285467486 910589623 /nfs/dbraw/zinc/58/96/23/910589623.db2.gz WPJKYSJVBIULSO-DTSKHDKYSA-N 0 1 317.345 1.062 20 5 DDBDMN O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001294968311 915483123 /nfs/dbraw/zinc/48/31/23/915483123.db2.gz JTHVDCRKGBMFNU-ZIAGYGMSSA-N 0 1 305.334 1.251 20 5 DDBDMN Cc1ccc(CN2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000272866883 210259057 /nfs/dbraw/zinc/25/90/57/210259057.db2.gz VPYNIUKTFGFTDN-UHFFFAOYSA-N 0 1 318.333 1.077 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000292575008 529465594 /nfs/dbraw/zinc/46/55/94/529465594.db2.gz GDZGUAHXIWSARQ-GXFFZTMASA-N 0 1 322.365 1.910 20 5 DDBDMN COc1ccc(NC(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000272794086 210196779 /nfs/dbraw/zinc/19/67/79/210196779.db2.gz GQSKKRDUODDCJL-SSDOTTSWSA-N 0 1 306.282 1.604 20 5 DDBDMN CN(Cc1nnc[nH]1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413163271 530024542 /nfs/dbraw/zinc/02/45/42/530024542.db2.gz XVMGKBCSJYRNMB-UHFFFAOYSA-N 0 1 302.216 1.763 20 5 DDBDMN CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272708231 210113140 /nfs/dbraw/zinc/11/31/40/210113140.db2.gz WVOLVLIUDZKSNC-GFCCVEGCSA-N 0 1 307.306 1.041 20 5 DDBDMN CCCN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286865376 219201608 /nfs/dbraw/zinc/20/16/08/219201608.db2.gz HKSADGXVECBOHR-UHFFFAOYSA-N 0 1 317.349 1.776 20 5 DDBDMN C[C@@H]1OCC[C@]12CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 ZINC000279915971 215234721 /nfs/dbraw/zinc/23/47/21/215234721.db2.gz INOAXRPZCYPYIL-BONVTDFDSA-N 0 1 322.317 1.320 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] ZINC000269558769 186383991 /nfs/dbraw/zinc/38/39/91/186383991.db2.gz ZSQXDNIFDWNKOO-VIFPVBQESA-N 0 1 323.353 1.169 20 5 DDBDMN O=C(c1ccccc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000045055799 352400855 /nfs/dbraw/zinc/40/08/55/352400855.db2.gz IGTKCOLWLCAPFG-KGLIPLIRSA-N 0 1 302.330 1.773 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCCc3[nH]ncc32)ccc1[N+](=O)[O-] ZINC000331779889 234114242 /nfs/dbraw/zinc/11/42/42/234114242.db2.gz DFXFNABCUZRHAL-UHFFFAOYSA-N 0 1 322.346 1.768 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000052531044 352615429 /nfs/dbraw/zinc/61/54/29/352615429.db2.gz PLAFNIAZWQCCPH-QMTHXVAHSA-N 0 1 303.293 1.857 20 5 DDBDMN C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000057838179 352830384 /nfs/dbraw/zinc/83/03/84/352830384.db2.gz DHDGAWWIPWRNNM-LLVKDONJSA-N 0 1 323.353 1.551 20 5 DDBDMN NC(=O)CN(CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065534654 352954124 /nfs/dbraw/zinc/95/41/24/352954124.db2.gz JYGPGONEWTYMRG-UHFFFAOYSA-N 0 1 307.350 1.704 20 5 DDBDMN Cc1sc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000344906563 282867510 /nfs/dbraw/zinc/86/75/10/282867510.db2.gz KZXGYNKDBJMIKD-ZETCQYMHSA-N 0 1 307.397 1.193 20 5 DDBDMN CCC(=O)N[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092705128 353868403 /nfs/dbraw/zinc/86/84/03/353868403.db2.gz GFCAWOJGBPZCCY-GFCCVEGCSA-N 0 1 307.350 1.791 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](CCCF)CC1 ZINC000402823775 354669657 /nfs/dbraw/zinc/66/96/57/354669657.db2.gz GLVJKROJXCLLSR-UHFFFAOYSA-N 0 1 311.313 1.418 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@]23CCOC3)c1[N+](=O)[O-] ZINC000357268860 291040077 /nfs/dbraw/zinc/04/00/77/291040077.db2.gz MNXPSYGEXNLGAA-AWEZNQCLSA-N 0 1 308.338 1.836 20 5 DDBDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310472 358490353 /nfs/dbraw/zinc/49/03/53/358490353.db2.gz PMJFASSNPBLPCY-CABZTGNLSA-N 0 1 307.325 1.946 20 5 DDBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000590400650 355085090 /nfs/dbraw/zinc/08/50/90/355085090.db2.gz ZOJCBPHYDSZVAD-UHFFFAOYSA-N 0 1 314.261 1.666 20 5 DDBDMN O=C1NC2(CO1)CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000495028941 235116804 /nfs/dbraw/zinc/11/68/04/235116804.db2.gz GPKPFSJSZPPBFK-UHFFFAOYSA-N 0 1 321.333 1.548 20 5 DDBDMN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 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CCC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000176768561 408437477 /nfs/dbraw/zinc/43/74/77/408437477.db2.gz BUJSWYMNSWNSNW-LLVKDONJSA-N 0 1 304.310 1.308 20 5 DDBDMN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191647012 408463634 /nfs/dbraw/zinc/46/36/34/408463634.db2.gz XXCHNHFZLGYWLR-VXGBXAGGSA-N 0 1 321.381 1.510 20 5 DDBDMN CC[C@H](COC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000160314114 408471102 /nfs/dbraw/zinc/47/11/02/408471102.db2.gz WWMJLFBUHKGXMA-MRVPVSSYSA-N 0 1 306.315 1.437 20 5 DDBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000265155464 408564395 /nfs/dbraw/zinc/56/43/95/408564395.db2.gz UMMUZBGQBNFFOV-UHFFFAOYSA-N 0 1 315.757 1.889 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000264695443 408543089 /nfs/dbraw/zinc/54/30/89/408543089.db2.gz UVWGEZBIMUGPMJ-UHFFFAOYSA-N 0 1 304.310 1.192 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000270759775 408669179 /nfs/dbraw/zinc/66/91/79/408669179.db2.gz MGHFEJDPXRGSPN-NWDGAFQWSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270886214 408724501 /nfs/dbraw/zinc/72/45/01/408724501.db2.gz PREJIJJGUSIZCM-PELKAZGASA-N 0 1 322.296 1.699 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)CCn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000270810479 408691038 /nfs/dbraw/zinc/69/10/38/408691038.db2.gz XYIZPJAQBDUQFK-MRVPVSSYSA-N 0 1 321.341 1.048 20 5 DDBDMN CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000265584794 408702139 /nfs/dbraw/zinc/70/21/39/408702139.db2.gz OBOSIZLEVXXLSL-JTQLQIEISA-N 0 1 308.338 1.530 20 5 DDBDMN C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000164839943 408804832 /nfs/dbraw/zinc/80/48/32/408804832.db2.gz QMEFOHCYPIWXKF-NWDGAFQWSA-N 0 1 305.334 1.609 20 5 DDBDMN COC[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000265733793 408761964 /nfs/dbraw/zinc/76/19/64/408761964.db2.gz AJJBRIDONRNKRX-NSHDSACASA-N 0 1 308.334 1.930 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185156958 408771829 /nfs/dbraw/zinc/77/18/29/408771829.db2.gz HETOECIYCUCGND-MRXNPFEDSA-N 0 1 322.361 1.855 20 5 DDBDMN Cc1cc(OCC(=O)N[C@@H](C)c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000280900228 408856402 /nfs/dbraw/zinc/85/64/02/408856402.db2.gz VSNQDPGETHKGBH-VIFPVBQESA-N 0 1 305.294 1.278 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291624207 408896624 /nfs/dbraw/zinc/89/66/24/408896624.db2.gz CWUHZYBOZLTKIO-LLVKDONJSA-N 0 1 316.304 1.923 20 5 DDBDMN CC(C)c1nc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n[nH]1 ZINC000291667116 408904745 /nfs/dbraw/zinc/90/47/45/408904745.db2.gz LYCWGZNNGJVOEZ-UHFFFAOYSA-N 0 1 315.289 1.633 20 5 DDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187067902 163003218 /nfs/dbraw/zinc/00/32/18/163003218.db2.gz CFMRLKSZFJLMNL-NSHDSACASA-N 0 1 306.322 1.006 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000188841112 163072993 /nfs/dbraw/zinc/07/29/93/163072993.db2.gz RXGUNPDTRMZZCA-UHFFFAOYSA-N 0 1 320.305 1.423 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000281763115 408925510 /nfs/dbraw/zinc/92/55/10/408925510.db2.gz KKBBTRKBVUBUNU-UHFFFAOYSA-N 0 1 317.305 1.531 20 5 DDBDMN Cc1nn(C)c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277398218 408933372 /nfs/dbraw/zinc/93/33/72/408933372.db2.gz BDSAUYFMYHYCIM-LBPRGKRZSA-N 0 1 321.381 1.383 20 5 DDBDMN COc1ccc(CNCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000237325601 163375998 /nfs/dbraw/zinc/37/59/98/163375998.db2.gz BANSFZUKYMSBKY-UHFFFAOYSA-N 0 1 319.317 1.602 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](OCc3ccncc3)C2)n1 ZINC000287639385 409068748 /nfs/dbraw/zinc/06/87/48/409068748.db2.gz GBRKRXPOJCQONG-AWEZNQCLSA-N 0 1 317.349 1.477 20 5 DDBDMN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000294102686 409240823 /nfs/dbraw/zinc/24/08/23/409240823.db2.gz RGKAWBGLOJCYOL-SNVBAGLBSA-N 0 1 323.349 1.583 20 5 DDBDMN COC(=O)c1cc(C)nc(N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000283935751 409242286 /nfs/dbraw/zinc/24/22/86/409242286.db2.gz XUBKKAVSRQEUJC-LLVKDONJSA-N 0 1 322.365 1.615 20 5 DDBDMN CN1CCO[C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000284887863 409369057 /nfs/dbraw/zinc/36/90/57/409369057.db2.gz GWNNXUMCCNJIDR-KBPBESRZSA-N 0 1 317.349 1.380 20 5 DDBDMN Cc1cccc(C(=O)NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000295556360 409347471 /nfs/dbraw/zinc/34/74/71/409347471.db2.gz YFCBMULALDVDBF-UHFFFAOYSA-N 0 1 301.306 1.829 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC3(CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000408206558 164260257 /nfs/dbraw/zinc/26/02/57/164260257.db2.gz OTZOVLIMLQKRKV-SNVBAGLBSA-N 0 1 308.338 1.658 20 5 DDBDMN COc1c(C(=O)N[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000331513245 409587701 /nfs/dbraw/zinc/58/77/01/409587701.db2.gz MZHHIBLWVQVJGP-JTQLQIEISA-N 0 1 305.334 1.570 20 5 DDBDMN C[C@@H]1CCN(C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000354008342 409597760 /nfs/dbraw/zinc/59/77/60/409597760.db2.gz SINDALPGBYZFNW-LLVKDONJSA-N 0 1 309.370 1.079 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000331601347 409684823 /nfs/dbraw/zinc/68/48/23/409684823.db2.gz OEMOJXLFHIWIMU-GFCCVEGCSA-N 0 1 316.317 1.840 20 5 DDBDMN CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000338098893 409719672 /nfs/dbraw/zinc/71/96/72/409719672.db2.gz VLAQGHSEWGRRMT-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000354521309 409915028 /nfs/dbraw/zinc/91/50/28/409915028.db2.gz NHZDAZDFWUSWHK-WCQYABFASA-N 0 1 315.333 1.146 20 5 DDBDMN C[N@@H+](CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000318481713 409878451 /nfs/dbraw/zinc/87/84/51/409878451.db2.gz BRRYIIQNOSFIQG-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN Cc1nc(CN2CCN(c3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000342937990 410013127 /nfs/dbraw/zinc/01/31/27/410013127.db2.gz IZGSYVBBWXRTRO-UHFFFAOYSA-N 0 1 320.328 1.483 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H]1C ZINC000346695005 410091160 /nfs/dbraw/zinc/09/11/60/410091160.db2.gz XRTIGVQTGIDDNE-GXFFZTMASA-N 0 1 308.334 1.987 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000343179473 410215353 /nfs/dbraw/zinc/21/53/53/410215353.db2.gz KWGADUNMUCBONX-QMMMGPOBSA-N 0 1 319.325 1.127 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]2C)c1[N+](=O)[O-] ZINC000347150688 410362319 /nfs/dbraw/zinc/36/23/19/410362319.db2.gz YFIFINICEQKUFE-IUCAKERBSA-N 0 1 324.337 1.294 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000343330691 410362530 /nfs/dbraw/zinc/36/25/30/410362530.db2.gz IJADCRVFAKXAKE-SSDOTTSWSA-N 0 1 314.305 1.994 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC3(CCC3(F)F)C2)c1[N+](=O)[O-] ZINC000359533673 410716606 /nfs/dbraw/zinc/71/66/06/410716606.db2.gz MRNFOETXMQIKPE-UHFFFAOYSA-N 0 1 300.265 1.752 20 5 DDBDMN CNC(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000337276808 410687308 /nfs/dbraw/zinc/68/73/08/410687308.db2.gz RERLCVQMPQDULD-UHFFFAOYSA-N 0 1 315.285 1.912 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000330600202 410814478 /nfs/dbraw/zinc/81/44/78/410814478.db2.gz FQIZJXFWBXMKHV-NXEZZACHSA-N 0 1 309.370 1.435 20 5 DDBDMN CO[C@@H](C)CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236586 410871687 /nfs/dbraw/zinc/87/16/87/410871687.db2.gz SWFCGUJCGKVMOR-FZMZJTMJSA-N 0 1 307.350 1.667 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+]1C ZINC000331135296 410969667 /nfs/dbraw/zinc/96/96/67/410969667.db2.gz KHKZBGYDEBFGLC-LBPRGKRZSA-N 0 1 308.338 1.108 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+]1C ZINC000331135296 410969670 /nfs/dbraw/zinc/96/96/70/410969670.db2.gz KHKZBGYDEBFGLC-LBPRGKRZSA-N 0 1 308.338 1.108 20 5 DDBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(O)CCC1 ZINC000353465497 411007175 /nfs/dbraw/zinc/00/71/75/411007175.db2.gz FCYPCRFPIWNIGQ-UHFFFAOYSA-N 0 1 319.361 1.331 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356399690 411010893 /nfs/dbraw/zinc/01/08/93/411010893.db2.gz YMXCIWFECXCOBX-VXGBXAGGSA-N 0 1 305.334 1.657 20 5 DDBDMN O=C1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@@H]2CCCCN12 ZINC000337852899 411033813 /nfs/dbraw/zinc/03/38/13/411033813.db2.gz JYMWQCNIJKHMTL-KBPBESRZSA-N 0 1 307.325 1.977 20 5 DDBDMN Cc1ccc(-c2nc(CCNC(=O)[C@H]3CC3[N+](=O)[O-])co2)cc1 ZINC000360279891 411121160 /nfs/dbraw/zinc/12/11/60/411121160.db2.gz PIZPFVSDWRYKKM-KBPBESRZSA-N 0 1 315.329 1.974 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000360417851 418429138 /nfs/dbraw/zinc/42/91/38/418429138.db2.gz FYYLTBIVQPGCLQ-NSHDSACASA-N 0 1 301.306 1.733 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000366219554 418444956 /nfs/dbraw/zinc/44/49/56/418444956.db2.gz AVNJTWPKCFRRNP-TZMCWYRMSA-N 0 1 306.366 1.334 20 5 DDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000360853167 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321.333 1.494 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832972371 601507179 /nfs/dbraw/zinc/50/71/79/601507179.db2.gz ALLHYNPXTPBBFE-QWRGUYRKSA-N 0 1 321.333 1.494 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000832958739 601932946 /nfs/dbraw/zinc/93/29/46/601932946.db2.gz QDJPTQJBHMPTOC-HNNXBMFYSA-N 0 1 321.333 1.638 20 5 DDBDMN CC(C)(C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CC1 ZINC000978798633 696460343 /nfs/dbraw/zinc/46/03/43/696460343.db2.gz ILFDUIWMEINSOR-GWNIPJSYSA-N 0 1 323.393 1.099 20 5 DDBDMN O=C(CCc1nc[nH]n1)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000764007101 700957839 /nfs/dbraw/zinc/95/78/39/700957839.db2.gz YCGBBMBEHVIMLV-UHFFFAOYSA-N 0 1 306.278 1.268 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000764402463 700969548 /nfs/dbraw/zinc/96/95/48/700969548.db2.gz VQDHVHRQNPPNIE-UHFFFAOYSA-N 0 1 305.250 1.199 20 5 DDBDMN O=C(NCCCNc1ncccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769490470 701247402 /nfs/dbraw/zinc/24/74/02/701247402.db2.gz KZJLWHJVNHNGBM-UHFFFAOYSA-N 0 1 317.305 1.322 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C1OCCO1 ZINC000770415534 701276991 /nfs/dbraw/zinc/27/69/91/701276991.db2.gz LHBCXPLLOIZVDU-ZDUSSCGKSA-N 0 1 322.317 1.668 20 5 DDBDMN COc1ccc(CC(=O)OCc2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000770639736 701287818 /nfs/dbraw/zinc/28/78/18/701287818.db2.gz HZESMFOWXXIKEV-UHFFFAOYSA-N 0 1 306.278 1.316 20 5 DDBDMN O=C1N[C@H]2CN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2CO1 ZINC000830917411 706602295 /nfs/dbraw/zinc/60/22/95/706602295.db2.gz XVJIOYUVBHCPAF-XBFCOCLRSA-N 0 1 321.333 1.059 20 5 DDBDMN COC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839573588 701741923 /nfs/dbraw/zinc/74/19/23/701741923.db2.gz DJAFLGILUQGDFJ-GRYCIOLGSA-N 0 1 310.281 1.211 20 5 DDBDMN O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839624740 701757430 /nfs/dbraw/zinc/75/74/30/701757430.db2.gz FJOBWIYEEXEVNS-CKYFFXLPSA-N 0 1 318.251 1.218 20 5 DDBDMN CC1N=NC(=S)N1c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839715019 701794313 /nfs/dbraw/zinc/79/43/13/701794313.db2.gz QSLZEMBPTHSMCR-GHMZBOCLSA-N 0 1 319.346 1.468 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000839749830 701809233 /nfs/dbraw/zinc/80/92/33/701809233.db2.gz KJMAQRXVKSMPBA-SKWCMTHISA-N 0 1 314.139 1.687 20 5 DDBDMN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839769682 701820050 /nfs/dbraw/zinc/82/00/50/701820050.db2.gz HVKILUHZTYLDNT-MVWJERBFSA-N 0 1 319.365 1.504 20 5 DDBDMN Cc1sc(NC(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1C ZINC000840671717 702195037 /nfs/dbraw/zinc/19/50/37/702195037.db2.gz ZUDDYFQQMTXKGJ-NXEZZACHSA-N 0 1 312.347 1.820 20 5 DDBDMN CNC(=O)[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000817369798 702356655 /nfs/dbraw/zinc/35/66/55/702356655.db2.gz CKVRLOHFHLVLCW-NSHDSACASA-N 0 1 317.349 1.278 20 5 DDBDMN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000866284197 706664780 /nfs/dbraw/zinc/66/47/80/706664780.db2.gz MFEGTTJRZORZIB-LLVKDONJSA-N 0 1 318.255 1.637 20 5 DDBDMN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000842284041 702696568 /nfs/dbraw/zinc/69/65/68/702696568.db2.gz IBKIDEOWJXQMJA-VXGBXAGGSA-N 0 1 312.347 1.197 20 5 DDBDMN CN(C[C@@H]1CCC[N@H+]1C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844208976 702992246 /nfs/dbraw/zinc/99/22/46/702992246.db2.gz CGUFHOMMULBRLS-LBPRGKRZSA-N 0 1 307.350 1.752 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846574711 703299358 /nfs/dbraw/zinc/29/93/58/703299358.db2.gz KRQIZJCGSZXEFT-NSHDSACASA-N 0 1 300.265 1.888 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000850438082 703731185 /nfs/dbraw/zinc/73/11/85/703731185.db2.gz SMQKRVHHXJMUOR-IINYFYTJSA-N 0 1 320.349 1.721 20 5 DDBDMN CCOc1cc(CN2C[C@H](CO)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000879695739 706763461 /nfs/dbraw/zinc/76/34/61/706763461.db2.gz OKIPPFQLLIXTDP-BETUJISGSA-N 0 1 310.350 1.026 20 5 DDBDMN COC(=O)N(C)CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852569052 704076961 /nfs/dbraw/zinc/07/69/61/704076961.db2.gz AKKSLMLRDSBZES-CYBMUJFWSA-N 0 1 311.338 1.258 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000819342252 704110530 /nfs/dbraw/zinc/11/05/30/704110530.db2.gz YNPDBGLEUMGIMM-GFCCVEGCSA-N 0 1 303.322 1.414 20 5 DDBDMN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nnc[nH]1 ZINC000853216197 704217998 /nfs/dbraw/zinc/21/79/98/704217998.db2.gz AADKTNLKXKSGPM-SSDOTTSWSA-N 0 1 320.261 1.402 20 5 DDBDMN C[C@@H](OC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000853224979 704220628 /nfs/dbraw/zinc/22/06/28/704220628.db2.gz JFWKEXZJEFTICC-SECBINFHSA-N 0 1 318.289 1.980 20 5 DDBDMN CC(=O)NC[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176994 705123865 /nfs/dbraw/zinc/12/38/65/705123865.db2.gz LFPMQRHCWIYUGN-HZPDHXFCSA-N 0 1 321.377 1.619 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCCN3C)n1 ZINC000874827017 705184926 /nfs/dbraw/zinc/18/49/26/705184926.db2.gz AGNBGIWHFWJHRN-WDEREUQCSA-N 0 1 307.354 1.120 20 5 DDBDMN CCN(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862706347 705781559 /nfs/dbraw/zinc/78/15/59/705781559.db2.gz NCYMTRLQCDHYFS-NXEZZACHSA-N 0 1 301.343 1.025 20 5 DDBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863833112 706024772 /nfs/dbraw/zinc/02/47/72/706024772.db2.gz JMLCEEONKNTJDG-JTQLQIEISA-N 0 1 313.741 1.045 20 5 DDBDMN Cc1c(CN2CCC(c3nnnn3C)CC2)cccc1[N+](=O)[O-] ZINC000877778733 706207745 /nfs/dbraw/zinc/20/77/45/706207745.db2.gz AXODRUODDAZHDQ-UHFFFAOYSA-N 0 1 316.365 1.806 20 5 DDBDMN CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000829539157 706352952 /nfs/dbraw/zinc/35/29/52/706352952.db2.gz MXOCGPIHAFEPJC-ZFWWWQNUSA-N 0 1 321.377 1.617 20 5 DDBDMN COC(=O)C12CC(C(=O)OCc3cc(O)ccc3[N+](=O)[O-])(C1)C2 ZINC000830521045 706529868 /nfs/dbraw/zinc/52/98/68/706529868.db2.gz GWSWNDCIAQZZRM-UHFFFAOYSA-N 0 1 321.285 1.687 20 5 DDBDMN CC(C)(C)C(=O)NCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837345682 707624934 /nfs/dbraw/zinc/62/49/34/707624934.db2.gz OCIBTRFCWXFXDC-UHFFFAOYSA-N 0 1 324.333 1.896 20 5 DDBDMN O=C(C[C@H]1CCCC(=O)N1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837733376 707730781 /nfs/dbraw/zinc/73/07/81/707730781.db2.gz ANNSJPPYJBXZOK-SNVBAGLBSA-N 0 1 308.290 1.402 20 5 DDBDMN C[C@@H](Cc1cnn(C)c1)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838425304 707917379 /nfs/dbraw/zinc/91/73/79/707917379.db2.gz IQBUYRKOFNIVOQ-JTQLQIEISA-N 0 1 319.317 1.956 20 5 DDBDMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839470770 708050242 /nfs/dbraw/zinc/05/02/42/708050242.db2.gz UEPCGKMNFNQWML-VXGBXAGGSA-N 0 1 308.334 1.718 20 5 DDBDMN C[C@H](NC(=O)C1CN([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000897868009 708475212 /nfs/dbraw/zinc/47/52/12/708475212.db2.gz COEPJSTZROCZCN-XHDPSFHLSA-N 0 1 319.361 1.493 20 5 DDBDMN O=C(N[C@@H]1CCCN(CCF)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000898494965 708658333 /nfs/dbraw/zinc/65/83/33/708658333.db2.gz JDYHGFJBDBIKHB-LLVKDONJSA-N 0 1 311.313 1.464 20 5 DDBDMN Cc1cc(C(=O)N2CC[C@@H](N3CCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000912915236 713122484 /nfs/dbraw/zinc/12/24/84/713122484.db2.gz KMDBRJMRSMYFMK-LLVKDONJSA-N 0 1 304.350 1.406 20 5 DDBDMN COc1ccc(CN(CCCO)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000890641582 709936299 /nfs/dbraw/zinc/93/62/99/709936299.db2.gz JWOZRQGMVKZROA-ZIAGYGMSSA-N 0 1 308.334 1.071 20 5 DDBDMN COc1cc([N+](=O)[O-])cnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000892836426 710510044 /nfs/dbraw/zinc/51/00/44/710510044.db2.gz MIFDEPMOGUHXFI-LBPRGKRZSA-N 0 1 322.365 1.157 20 5 DDBDMN C[C@H]1CN(CCCOC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000893392683 710633781 /nfs/dbraw/zinc/63/37/81/710633781.db2.gz HTXZALWVBPFFOU-LBPRGKRZSA-N 0 1 308.334 1.862 20 5 DDBDMN CCNc1ccc(C(=O)NC[C@H]2CCN2CC)cc1[N+](=O)[O-] ZINC000893872821 710867675 /nfs/dbraw/zinc/86/76/75/710867675.db2.gz WMJZUPMFQCTJOO-GFCCVEGCSA-N 0 1 306.366 1.851 20 5 DDBDMN COC(=O)[C@@H]1[C@@H](CNCc2ccccc2[N+](=O)[O-])C1(F)F ZINC000894187949 711006848 /nfs/dbraw/zinc/00/68/48/711006848.db2.gz PLZPLDMDQAALLC-KOLCDFICSA-N 0 1 300.261 1.739 20 5 DDBDMN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895249674 711466048 /nfs/dbraw/zinc/46/60/48/711466048.db2.gz WOFKARMZULHBHF-RYUDHWBXSA-N 0 1 318.381 1.289 20 5 DDBDMN CCC[C@@H](NCC[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000905088430 711932408 /nfs/dbraw/zinc/93/24/08/711932408.db2.gz IPZBYEBYDNXDTH-GFCCVEGCSA-N 0 1 311.407 1.668 20 5 DDBDMN O=C(COC(=O)c1[nH]nc2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000919331776 713598579 /nfs/dbraw/zinc/59/85/79/713598579.db2.gz SIUNOVLWPBASPL-UHFFFAOYSA-N 0 1 315.285 1.846 20 5 DDBDMN CCOC(=O)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000932646847 714374636 /nfs/dbraw/zinc/37/46/36/714374636.db2.gz UTYMGRMWIGRXTA-GXTWGEPZSA-N 0 1 308.334 1.513 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCN(C)C2)cc1OC ZINC001167278582 732888103 /nfs/dbraw/zinc/88/81/03/732888103.db2.gz NGDCRIKJFNOAOA-VIFPVBQESA-N 0 1 309.322 1.506 20 5 DDBDMN O=C(NC1CN(Cc2ccc3c(c2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292415 744025737 /nfs/dbraw/zinc/02/57/37/744025737.db2.gz HINKIQDPEFMULI-HZPDHXFCSA-N 0 1 315.373 1.141 20 5 DDBDMN Cc1cnc(NCc2nnc([C@@H]3CCOC3)[nH]2)c([N+](=O)[O-])c1 ZINC001187035020 744496394 /nfs/dbraw/zinc/49/63/94/744496394.db2.gz QOIGQZRBAWGCSB-SECBINFHSA-N 0 1 304.310 1.532 20 5 DDBDMN Cc1cnc(NCc2n[nH]c([C@@H]3CCOC3)n2)c([N+](=O)[O-])c1 ZINC001187035020 744496396 /nfs/dbraw/zinc/49/63/96/744496396.db2.gz QOIGQZRBAWGCSB-SECBINFHSA-N 0 1 304.310 1.532 20 5 DDBDMN C/C(=C/C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001066943789 753052815 /nfs/dbraw/zinc/05/28/15/753052815.db2.gz NGPDGSNKARICER-IVYWBBSESA-N 0 1 323.393 1.315 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)C2CCCCCC2)CC1 ZINC001010653629 754082119 /nfs/dbraw/zinc/08/21/19/754082119.db2.gz FVTIPZLOFPZUEO-ZIAGYGMSSA-N 0 1 323.393 1.293 20 5 DDBDMN 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DDBDMN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@H]2CCCO2)c(Cl)c1 ZINC000447901234 420813701 /nfs/dbraw/zinc/81/37/01/420813701.db2.gz BJNWSGALHKEEOU-CHWSQXEVSA-N 0 1 300.742 1.878 20 5 DDBDMN CN1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448553148 420861295 /nfs/dbraw/zinc/86/12/95/420861295.db2.gz ANHPNYRAYRCGEQ-UHFFFAOYSA-N 0 1 315.333 1.373 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000456532856 421179496 /nfs/dbraw/zinc/17/94/96/421179496.db2.gz PZLFBJQFAMXFBV-LBPRGKRZSA-N 0 1 323.397 1.469 20 5 DDBDMN CCN1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000561147315 421308883 /nfs/dbraw/zinc/30/88/83/421308883.db2.gz LSQQBNPFQVFXIR-LBPRGKRZSA-N 0 1 321.377 1.699 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000551948098 421557805 /nfs/dbraw/zinc/55/78/05/421557805.db2.gz HFBRYYXTZKIFRX-MRVPVSSYSA-N 0 1 319.277 1.098 20 5 DDBDMN O=C([O-])C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000570286880 421634970 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1.303 20 5 DDBDMN CC[C@@](C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000323079906 271030591 /nfs/dbraw/zinc/03/05/91/271030591.db2.gz RGONUEWUMNDZCF-LBPRGKRZSA-N 0 1 320.342 1.827 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000344412367 272018714 /nfs/dbraw/zinc/01/87/14/272018714.db2.gz CWGZGYJXMXKTLN-VXGBXAGGSA-N 0 1 309.370 1.123 20 5 DDBDMN C[C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000344436033 272027041 /nfs/dbraw/zinc/02/70/41/272027041.db2.gz PENZSQJQANXWGD-GFCCVEGCSA-N 0 1 306.366 1.679 20 5 DDBDMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273459883 300233792 /nfs/dbraw/zinc/23/37/92/300233792.db2.gz VSIHAZDRVXUOEI-CABZTGNLSA-N 0 1 305.334 1.513 20 5 DDBDMN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364054180 300339031 /nfs/dbraw/zinc/33/90/31/300339031.db2.gz PNLUZXZFJPTCMR-KBVBSXBZSA-N 0 1 311.288 1.325 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN2CCC1CC2 ZINC000367387147 300839804 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CC(C)(CCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)[N+](=O)[O-] ZINC000827491426 706013285 /nfs/dbraw/zinc/01/32/85/706013285.db2.gz LVYWTKJSQQTMFY-UHFFFAOYSA-N 0 1 319.321 1.436 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000877748401 706198042 /nfs/dbraw/zinc/19/80/42/706198042.db2.gz AOXVMOKFOTUQQR-CABCVRRESA-N 0 1 318.329 1.782 20 5 DDBDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829227195 706304835 /nfs/dbraw/zinc/30/48/35/706304835.db2.gz IFDWAHWYEQTJMB-NSHDSACASA-N 0 1 317.305 1.653 20 5 DDBDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829227195 706304840 /nfs/dbraw/zinc/30/48/40/706304840.db2.gz IFDWAHWYEQTJMB-NSHDSACASA-N 0 1 317.305 1.653 20 5 DDBDMN CC[C@H](NC(=O)C1=NC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000829718910 706382494 /nfs/dbraw/zinc/38/24/94/706382494.db2.gz GOHPVZWMKXAXAM-NSHDSACASA-N 0 1 304.306 1.915 20 5 DDBDMN CCN1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000882483475 707654167 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C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)CN1C)c1ccccc1[N+](=O)[O-] ZINC000887399068 709036631 /nfs/dbraw/zinc/03/66/31/709036631.db2.gz MBGMKGZHPLNGQO-HSMVNMDESA-N 0 1 321.377 1.270 20 5 DDBDMN C[C@H]1CN(C(=O)c2ccc(CNCC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000899876187 709224708 /nfs/dbraw/zinc/22/47/08/709224708.db2.gz OYIOJVFLZUVFKG-STQMWFEESA-N 0 1 321.377 1.302 20 5 DDBDMN Cc1cc(C(=O)N2CCN(C)CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000888999185 709428798 /nfs/dbraw/zinc/42/87/98/709428798.db2.gz YFQWPEIDIIJGBF-UHFFFAOYSA-N 0 1 320.393 1.223 20 5 DDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000909578815 709523764 /nfs/dbraw/zinc/52/37/64/709523764.db2.gz IIXZASKHVFHGBY-QXJJFIIZSA-N 0 1 305.286 1.767 20 5 DDBDMN CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1 ZINC000910282596 709864260 /nfs/dbraw/zinc/86/42/60/709864260.db2.gz HNHSEIWLYZBUTG-NSHDSACASA-N 0 1 307.350 1.857 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901541466 710069229 /nfs/dbraw/zinc/06/92/29/710069229.db2.gz IMAMNIURFJUWEB-ZDUSSCGKSA-N 0 1 314.725 1.924 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901541466 710069235 /nfs/dbraw/zinc/06/92/35/710069235.db2.gz IMAMNIURFJUWEB-ZDUSSCGKSA-N 0 1 314.725 1.924 20 5 DDBDMN C[C@@]1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892782723 710497544 /nfs/dbraw/zinc/49/75/44/710497544.db2.gz BDZZGTPSLYTOHA-OAHLLOKOSA-N 0 1 307.325 1.948 20 5 DDBDMN C[C@@H]1[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000928435442 713194931 /nfs/dbraw/zinc/19/49/31/713194931.db2.gz GOTSLOXNZUWBCY-SKDRFNHKSA-N 0 1 313.304 1.895 20 5 DDBDMN O=[N+]([O-])c1c(N2CCN3CCCC[C@H]3C2)nc2ccccn21 ZINC000917059423 713480282 /nfs/dbraw/zinc/48/02/82/713480282.db2.gz YPFZBMCDQSEMDJ-LBPRGKRZSA-N 0 1 301.350 1.917 20 5 DDBDMN C[C@@](CO)(NCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000931469796 714105215 /nfs/dbraw/zinc/10/52/15/714105215.db2.gz YCYUEJKNSRXBSW-GJZGRUSLSA-N 0 1 310.350 1.197 20 5 DDBDMN CN1CC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000925422596 714851596 /nfs/dbraw/zinc/85/15/96/714851596.db2.gz ZZWOADTWQXPCAH-GFCCVEGCSA-N 0 1 320.349 1.072 20 5 DDBDMN C/C=C(\C)C(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956369709 715420040 /nfs/dbraw/zinc/42/00/40/715420040.db2.gz ZHMGLVREDZVSQP-LGSVWZNTSA-N 0 1 309.366 1.115 20 5 DDBDMN CN1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001164666133 719391351 /nfs/dbraw/zinc/39/13/51/719391351.db2.gz JJVUPWXEAOJVJT-CABCVRRESA-N 0 1 314.345 1.662 20 5 DDBDMN O=C(CC1CC1)N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025649151 736808679 /nfs/dbraw/zinc/80/86/79/736808679.db2.gz DSTLKAPDTXOJHS-HALDLXJZSA-N 0 1 315.373 1.941 20 5 DDBDMN O=C(CC1CC1)N[C@@H]1[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025649168 736808753 /nfs/dbraw/zinc/80/87/53/736808753.db2.gz QNGQZUQAHYYCMK-QLPKVWCKSA-N 0 1 315.373 1.941 20 5 DDBDMN O=C(N[C@@H]1[C@H]2CN(C/C(Cl)=C\Cl)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775880 736853718 /nfs/dbraw/zinc/85/37/18/736853718.db2.gz PDKAKJNTODKMKZ-RSXBCCATSA-N 0 1 320.176 1.017 20 5 DDBDMN Cc1nc(N(C)CCN(C)C(=O)c2ccn[nH]2)ccc1[N+](=O)[O-] ZINC001105338903 738256706 /nfs/dbraw/zinc/25/67/06/738256706.db2.gz HYPHQCSUOLABRZ-UHFFFAOYSA-N 0 1 318.337 1.230 20 5 DDBDMN CCOC(=O)C1CO[C@@H](C)C1=Nc1nc(C)ccc1[N+](=O)[O-] ZINC001168161689 741669764 /nfs/dbraw/zinc/66/97/64/741669764.db2.gz GMRQMHPXPBGZTQ-VIFPVBQESA-N 0 1 307.306 1.946 20 5 DDBDMN CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ncn[nH]1 ZINC001106838620 746415654 /nfs/dbraw/zinc/41/56/54/746415654.db2.gz NDXGHKYFVXGECY-UHFFFAOYSA-N 0 1 318.337 1.216 20 5 DDBDMN CCOc1cc(CN2C[C@@H](CO)[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC001198755068 747599866 /nfs/dbraw/zinc/59/98/66/747599866.db2.gz XGCAVCLQPDNHCO-KGLIPLIRSA-N 0 1 324.377 1.416 20 5 DDBDMN O=C(NCC=CCNc1ccc([N+](=O)[O-])cc1F)c1cnn[nH]1 ZINC001107584905 750188547 /nfs/dbraw/zinc/18/85/47/750188547.db2.gz NFRNFNAPTIOXPW-UPHRSURJSA-N 0 1 320.284 1.250 20 5 DDBDMN CCOC[C@H]1Cn2nccc2CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169025780 762203126 /nfs/dbraw/zinc/20/31/26/762203126.db2.gz UWQQZUWGWUMIDE-KFWWJZLASA-N 0 1 322.409 1.797 20 5 DDBDMN O=C(NCC1=CCN(C(=O)C2=CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017440206 757935768 /nfs/dbraw/zinc/93/57/68/757935768.db2.gz AEEDZOFJGBASDQ-ZIAGYGMSSA-N 0 1 319.361 1.037 20 5 DDBDMN CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018787602 759262285 /nfs/dbraw/zinc/26/22/85/759262285.db2.gz PHLMVPHLOWKYCD-VXGBXAGGSA-N 0 1 323.393 1.149 20 5 DDBDMN COc1ccc(C[C@H](C)N2CC[C@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354407 766260658 /nfs/dbraw/zinc/26/06/58/766260658.db2.gz KUXFFEQXLMAXRJ-FZMZJTMJSA-N 0 1 321.377 1.745 20 5 DDBDMN CC[C@](N)(CO)Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001170865522 771778091 /nfs/dbraw/zinc/77/80/91/771778091.db2.gz NSYOAXPKYLYMGV-SNVBAGLBSA-N 0 1 322.134 1.966 20 5 DDBDMN CC[C@@](N)(CO)NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001159743941 771916350 /nfs/dbraw/zinc/91/63/50/771916350.db2.gz OEOHYPFZKOOHSD-VIFPVBQESA-N 0 1 310.688 1.339 20 5 DDBDMN O=C(NCCCNc1cccc(F)c1[N+](=O)[O-])c1cnn[nH]1 ZINC001094881251 776674174 /nfs/dbraw/zinc/67/41/74/776674174.db2.gz ATAHAMLUNXDJEI-UHFFFAOYSA-N 0 1 308.273 1.084 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H](CO)C1)CC2 ZINC001172902803 776915860 /nfs/dbraw/zinc/91/58/60/776915860.db2.gz CRIBLMPUUYPQDC-GDBMZVCRSA-N 0 1 306.362 1.535 20 5 DDBDMN Cc1n[nH]cc1CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175183105 777712982 /nfs/dbraw/zinc/71/29/82/777712982.db2.gz GMDPDELLTYBGCN-ZDUSSCGKSA-N 0 1 320.349 1.498 20 5 DDBDMN C[C@@](CO)(NC[C@@H](O)CC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001175324026 777750513 /nfs/dbraw/zinc/75/05/13/777750513.db2.gz ROUYJTCSAVZIPI-GJZGRUSLSA-N 0 1 324.377 1.058 20 5 DDBDMN CN(CCNc1ncccc1[N+](=O)[O-])C(=O)CCc1cnc[nH]1 ZINC001102021287 777802410 /nfs/dbraw/zinc/80/24/10/777802410.db2.gz IBKRYPRTJIMFMB-UHFFFAOYSA-N 0 1 318.337 1.216 20 5 DDBDMN CCN(CCC(=O)NC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001176734414 778223246 /nfs/dbraw/zinc/22/32/46/778223246.db2.gz ASMOFBVHFAMETB-UHFFFAOYSA-N 0 1 306.322 1.694 20 5 DDBDMN CC[S@@](=O)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001177849842 778762622 /nfs/dbraw/zinc/76/26/22/778762622.db2.gz GZMZMIOUAYFIND-HXUWFJFHSA-N 0 1 302.352 1.167 20 5 DDBDMN COc1nscc1CN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001179122527 779288577 /nfs/dbraw/zinc/28/85/77/779288577.db2.gz PLHDMROMYDBCTB-UHFFFAOYSA-N 0 1 311.323 1.364 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1n[nH]c(C)n1 ZINC001180005381 779586983 /nfs/dbraw/zinc/58/69/83/779586983.db2.gz VLDQZHRUHFQJFY-UHFFFAOYSA-N 0 1 305.294 1.350 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000050710733 861407002 /nfs/dbraw/zinc/40/70/02/861407002.db2.gz HXKYYUPZTUTCMD-UHFFFAOYSA-N 0 1 309.713 1.792 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc2cncn2c1 ZINC001275238202 852923419 /nfs/dbraw/zinc/92/34/19/852923419.db2.gz OZVHEUZVEZTHCL-UHFFFAOYSA-N 0 1 314.305 1.064 20 5 DDBDMN CC(C)(C)N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001327954071 862591166 /nfs/dbraw/zinc/59/11/66/862591166.db2.gz QOSQOGMNXNPCKB-CQSZACIVSA-N 0 1 321.377 1.571 20 5 DDBDMN O=C(OC1CN(C(=O)Oc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001123343506 859185657 /nfs/dbraw/zinc/18/56/57/859185657.db2.gz YXRJOBHLTXMBQU-VXGBXAGGSA-N 0 1 306.274 1.078 20 5 DDBDMN C[C@@H](c1nnc(N2CCN(C)C(C)(C)C2)n1CC1CC1)[N+](=O)[O-] ZINC001123415782 859225983 /nfs/dbraw/zinc/22/59/83/859225983.db2.gz UTWPJLCXBMSDOV-NSHDSACASA-N 0 1 322.413 1.556 20 5 DDBDMN Cc1ccc(NC(=O)[C@@H]2CN3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001123474144 859251177 /nfs/dbraw/zinc/25/11/77/859251177.db2.gz YRWUPTCNQVKGHP-FZMZJTMJSA-N 0 1 304.350 1.230 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001123879897 859452751 /nfs/dbraw/zinc/45/27/51/859452751.db2.gz JVSVCNQCEQGZSZ-RISCZKNCSA-N 0 1 318.377 1.538 20 5 DDBDMN COC(=O)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)cc1 ZINC001124770427 859805164 /nfs/dbraw/zinc/80/51/64/859805164.db2.gz HQPKZBFWDTVAAU-JHJVBQTASA-N 0 1 306.318 1.381 20 5 DDBDMN CN1CCN(C(C)(C)CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001326035575 861058713 /nfs/dbraw/zinc/05/87/13/861058713.db2.gz KIIRWFKDFZEUBW-UHFFFAOYSA-N 0 1 311.361 1.567 20 5 DDBDMN CN1CC[C@H](NC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156580092 863162979 /nfs/dbraw/zinc/16/29/79/863162979.db2.gz DEXJNVGVDFIKSJ-ZETCQYMHSA-N 0 1 306.700 1.986 20 5 DDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC001153858913 864166476 /nfs/dbraw/zinc/16/64/76/864166476.db2.gz ZWHIKLGWVSIXKG-VIFPVBQESA-N 0 1 304.310 1.071 20 5 DDBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NC[C@H]1COCCN1 ZINC001159042641 865066509 /nfs/dbraw/zinc/06/65/09/865066509.db2.gz IIHDBRPOQFDLMW-QMMMGPOBSA-N 0 1 323.740 1.592 20 5 DDBDMN Cc1cccc(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)c1[N+](=O)[O-] ZINC001159310381 865219416 /nfs/dbraw/zinc/21/94/16/865219416.db2.gz GFLAAGSOVIUFKE-SNVBAGLBSA-N 0 1 315.333 1.838 20 5 DDBDMN O=C(NCCC[S@@](=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC001332021978 865510149 /nfs/dbraw/zinc/51/01/49/865510149.db2.gz CKJUOIYCSHZGLV-OAQYLSRUSA-N 0 1 324.280 1.771 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC001332659164 866032945 /nfs/dbraw/zinc/03/29/45/866032945.db2.gz QKIGZBQHLFHOMQ-UHFFFAOYSA-N 0 1 324.333 1.669 20 5 DDBDMN C[NH+]1CCC2(CC[C@H](COc3[n-]ccc(=O)c3[N+](=O)[O-])O2)CC1 ZINC001225659993 881962778 /nfs/dbraw/zinc/96/27/78/881962778.db2.gz BBWTZHLCPYXBHN-LLVKDONJSA-N 0 1 323.349 1.718 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(NCc2noc3c2CNCC3)n1 ZINC001163124704 868128574 /nfs/dbraw/zinc/12/85/74/868128574.db2.gz SWPMIZBMMPERLY-UHFFFAOYSA-N 0 1 305.294 1.244 20 5 DDBDMN COC(=O)[C@@H]1CNCCN1c1ccc2ccc3cccnc3c2n1 ZINC001165437517 869600894 /nfs/dbraw/zinc/60/08/94/869600894.db2.gz SRLHRTYFUXPSNH-AWEZNQCLSA-N 0 1 322.368 1.734 20 5 DDBDMN COCc1nn(-c2cc([N+](=O)[O-])cc(Cl)n2)c2c1CNC2 ZINC001165632606 869661875 /nfs/dbraw/zinc/66/18/75/869661875.db2.gz VHJCRWVQQRMHFG-UHFFFAOYSA-N 0 1 309.713 1.579 20 5 DDBDMN C[C@@H](O)[C@H](O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001203276197 870524363 /nfs/dbraw/zinc/52/43/63/870524363.db2.gz JRDAFSQBWLBKGN-QMTHXVAHSA-N 0 1 306.318 1.686 20 5 DDBDMN O=C(Nc1n[nH]c2ncnn12)c1cccc(Cl)c1[N+](=O)[O-] ZINC001298772168 870719864 /nfs/dbraw/zinc/71/98/64/870719864.db2.gz YYBXETNCTLJEGR-UHFFFAOYSA-N 0 1 307.657 1.266 20 5 DDBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2COC[C@@H]2O)o1 ZINC001308483856 871502282 /nfs/dbraw/zinc/50/22/82/871502282.db2.gz FODNIEZBHRZHSJ-OCCSQVGLSA-N 0 1 304.302 1.704 20 5 DDBDMN CN(C)C1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001342423909 872201099 /nfs/dbraw/zinc/20/10/99/872201099.db2.gz OBQFNTHDYIOPLV-UHFFFAOYSA-N 0 1 311.769 1.953 20 5 DDBDMN CCCOC(=O)[C@@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096666 882832590 /nfs/dbraw/zinc/83/25/90/882832590.db2.gz RHFAPRQTGCEPNX-MRVPVSSYSA-N 0 1 321.289 1.964 20 5 DDBDMN CC[C@@H]1OC(=O)C(Oc2ncc([N+](=O)[O-])c3[nH]cnc32)=C1C 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CCc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000266883386 282303507 /nfs/dbraw/zinc/30/35/07/282303507.db2.gz COYXFXMQPAGRHS-AWEZNQCLSA-N 0 1 320.393 1.133 20 5 DDBDMN CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413029997 530053525 /nfs/dbraw/zinc/05/35/25/530053525.db2.gz UHFGSZOGMTVGKD-LSDHHAIUSA-N 0 1 303.362 1.862 20 5 DDBDMN Cc1ccc(CN(CCO)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000358278885 299112380 /nfs/dbraw/zinc/11/23/80/299112380.db2.gz VVWHCHQHDXREOQ-UHFFFAOYSA-N 0 1 308.294 1.162 20 5 DDBDMN Cc1noc(CCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000272605341 210004393 /nfs/dbraw/zinc/00/43/93/210004393.db2.gz YGCCQHFCSIQNPJ-UHFFFAOYSA-N 0 1 306.278 1.354 20 5 DDBDMN COC[C@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000358485310 299169086 /nfs/dbraw/zinc/16/90/86/299169086.db2.gz UOMZYPGUFSDJLD-JTQLQIEISA-N 0 1 300.311 1.060 20 5 DDBDMN COC(=O)CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000280073109 215356829 /nfs/dbraw/zinc/35/68/29/215356829.db2.gz PVIATXMKHFSXCK-UHFFFAOYSA-N 0 1 322.317 1.906 20 5 DDBDMN C[C@H]1OCC[C@@]1(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000331712787 234030103 /nfs/dbraw/zinc/03/01/03/234030103.db2.gz GGIDZQHFUQMSSG-XLKFXECMSA-N 0 1 304.306 1.768 20 5 DDBDMN COC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000045302090 352407655 /nfs/dbraw/zinc/40/76/55/352407655.db2.gz APENKOGYTBNVGV-UHFFFAOYSA-N 0 1 304.306 1.722 20 5 DDBDMN C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)C[C@H](C)O1 ZINC000047669903 352507435 /nfs/dbraw/zinc/50/74/35/352507435.db2.gz CICVTNUZSVFCBY-PHIMTYICSA-N 0 1 311.338 1.417 20 5 DDBDMN O=C(Nc1ccc(CN2CCOC2=O)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000055788579 352744040 /nfs/dbraw/zinc/74/40/40/352744040.db2.gz LIHRQVLRMFDNHP-VXGBXAGGSA-N 0 1 305.290 1.243 20 5 DDBDMN Cc1cc([C@@H]2CCCN(C(=O)c3c([N+](=O)[O-])cnn3C)C2)n[nH]1 ZINC000331909335 234263948 /nfs/dbraw/zinc/26/39/48/234263948.db2.gz YEZNCMVGGFOTNI-SNVBAGLBSA-N 0 1 318.337 1.380 20 5 DDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000174163681 198300449 /nfs/dbraw/zinc/30/04/49/198300449.db2.gz YHVCVBAHGYILCK-UHFFFAOYSA-N 0 1 320.265 1.202 20 5 DDBDMN COC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079999408 353586563 /nfs/dbraw/zinc/58/65/63/353586563.db2.gz VIJVKAWPYAADFQ-UHFFFAOYSA-N 0 1 307.350 1.435 20 5 DDBDMN NC(=O)c1ccc(CN2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293092927 354454076 /nfs/dbraw/zinc/45/40/76/354454076.db2.gz KMLIRUHSONPMPN-NSHDSACASA-N 0 1 307.350 1.288 20 5 DDBDMN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2nc[nH]c2C1 ZINC000590379411 355078788 /nfs/dbraw/zinc/07/87/88/355078788.db2.gz RSOISVPZQUDICO-UHFFFAOYSA-N 0 1 311.301 1.998 20 5 DDBDMN CC(C)c1ccc(C(=O)Nc2n[nH]c3ncnn23)cc1[N+](=O)[O-] ZINC000590552005 355111873 /nfs/dbraw/zinc/11/18/73/355111873.db2.gz BXYIJONHWCCLFZ-UHFFFAOYSA-N 0 1 315.293 1.736 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC000590914450 355213104 /nfs/dbraw/zinc/21/31/04/355213104.db2.gz DJCIEZRCSYHWSD-NXEZZACHSA-N 0 1 306.322 1.267 20 5 DDBDMN C[C@@H]1C[C@H](CO)CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591505191 355322312 /nfs/dbraw/zinc/32/23/12/355322312.db2.gz DOKXVNXAAOMFOI-NEPJUHHUSA-N 0 1 322.361 1.816 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000592815396 355702162 /nfs/dbraw/zinc/70/21/62/355702162.db2.gz GCVTUECIGDOELY-MNOVXSKESA-N 0 1 308.338 1.658 20 5 DDBDMN Cc1cc(NCC[N@H+]2CCOC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972010 355758925 /nfs/dbraw/zinc/75/89/25/355758925.db2.gz JOBIJIGPXNYWAM-LLVKDONJSA-N 0 1 323.349 1.734 20 5 DDBDMN Cc1cc(NCC[N@@H+]2CCOC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972010 355758927 /nfs/dbraw/zinc/75/89/27/355758927.db2.gz JOBIJIGPXNYWAM-LLVKDONJSA-N 0 1 323.349 1.734 20 5 DDBDMN CC[C@@H](C)C[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592876221 355728250 /nfs/dbraw/zinc/72/82/50/355728250.db2.gz XNAFIIRVOWNWJL-ZJUUUORDSA-N 0 1 320.349 1.998 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC3(CC3(F)F)CC2)c1[N+](=O)[O-] ZINC000593830110 356013624 /nfs/dbraw/zinc/01/36/24/356013624.db2.gz YDNPOVFYERVUKR-UHFFFAOYSA-N 0 1 300.265 1.888 20 5 DDBDMN C[C@@H](C[C@H]1CCOC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761659 356310179 /nfs/dbraw/zinc/31/01/79/356310179.db2.gz VJNKQTZKVUCVHT-VHSXEESVSA-N 0 1 315.351 1.083 20 5 DDBDMN C[C@@H]1COC2(CCCC2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595816418 356662278 /nfs/dbraw/zinc/66/22/78/356662278.db2.gz WZMKQJBKGLOCLA-OCCSQVGLSA-N 0 1 324.381 1.186 20 5 DDBDMN C[C@@H]1CN(CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596071065 356762015 /nfs/dbraw/zinc/76/20/15/356762015.db2.gz XIBSXZWNBDKMDX-GHMZBOCLSA-N 0 1 310.354 1.607 20 5 DDBDMN Cc1nn(C)c(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859015 357360865 /nfs/dbraw/zinc/36/08/65/357360865.db2.gz PYBRHMJKHBMVGF-JTQLQIEISA-N 0 1 309.370 1.239 20 5 DDBDMN CCN(C(=O)c1cccc([N+](=O)[O-])c1OC)[C@@H]1CCN(C)C1 ZINC000597943935 357392848 /nfs/dbraw/zinc/39/28/48/357392848.db2.gz BCAISPCHHSAIES-LLVKDONJSA-N 0 1 307.350 1.770 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](O)C(F)(F)C1 ZINC000597999758 357415623 /nfs/dbraw/zinc/41/56/23/357415623.db2.gz HPAYSIDHTDMUAV-SNVBAGLBSA-N 0 1 302.233 1.143 20 5 DDBDMN C[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599223942 357854950 /nfs/dbraw/zinc/85/49/50/357854950.db2.gz UHSWGGNTPYYXHH-VHSXEESVSA-N 0 1 316.383 1.433 20 5 DDBDMN C[C@@H]1CCC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H]1C ZINC000599206578 357850434 /nfs/dbraw/zinc/85/04/34/357850434.db2.gz JSPUHPPORPMDJT-BBBLOLIVSA-N 0 1 316.383 1.431 20 5 DDBDMN CC(C)[C@]1(C)C[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599327334 357894935 /nfs/dbraw/zinc/89/49/35/357894935.db2.gz RQEQVPPGRLBGGO-KOLCDFICSA-N 0 1 302.356 1.041 20 5 DDBDMN CC[C@H]1CCC[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599320683 357892164 /nfs/dbraw/zinc/89/21/64/357892164.db2.gz RBVGPPLFBISBSM-UWVGGRQHSA-N 0 1 316.383 1.433 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CCC(F)CC2)n1 ZINC000599340155 357901134 /nfs/dbraw/zinc/90/11/34/357901134.db2.gz LXVJFBDPLOXEPK-UHFFFAOYSA-N 0 1 320.346 1.135 20 5 DDBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000599461521 357946049 /nfs/dbraw/zinc/94/60/49/357946049.db2.gz VNPUCJPPWJULTN-LOKLDPHHSA-N 0 1 315.351 1.080 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1COCCN1 ZINC000599606241 357990767 /nfs/dbraw/zinc/99/07/67/357990767.db2.gz MYAGAOXAAPSPHQ-LLVKDONJSA-N 0 1 308.338 1.322 20 5 DDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624096 357996463 /nfs/dbraw/zinc/99/64/63/357996463.db2.gz PFTKEMMCNOAEOF-VBNZEHGJSA-N 0 1 308.378 1.969 20 5 DDBDMN COC(=O)[C@](C)(NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000599648752 358006374 /nfs/dbraw/zinc/00/63/74/358006374.db2.gz FAWVWPIHGPCJBM-GDBMZVCRSA-N 0 1 321.377 1.667 20 5 DDBDMN COc1ccc(CN2C[C@H](OC)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963872 359328025 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COC(=O)C(C)(C)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000340746974 251189088 /nfs/dbraw/zinc/18/90/88/251189088.db2.gz OXMBCOCDCZNQNC-UHFFFAOYSA-N 0 1 310.306 1.620 20 5 DDBDMN CCOC(=O)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269134721 207266217 /nfs/dbraw/zinc/26/62/17/207266217.db2.gz MHKIAILKAZPXDS-UHFFFAOYSA-N 0 1 322.317 1.716 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000286471596 219007333 /nfs/dbraw/zinc/00/73/33/219007333.db2.gz UFWLWYUZGUUTLW-RXMQYKEDSA-N 0 1 308.273 1.234 20 5 DDBDMN O=[N+]([O-])c1cccnc1N1CCN(C[C@@H]2CCSC2)CC1 ZINC000296081698 285166441 /nfs/dbraw/zinc/16/64/41/285166441.db2.gz RVWSPGLCOGDAHY-LBPRGKRZSA-N 0 1 308.407 1.865 20 5 DDBDMN COCCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000444750489 533171774 /nfs/dbraw/zinc/17/17/74/533171774.db2.gz DXXDWRKXOGSZBE-CYBMUJFWSA-N 0 1 310.350 1.841 20 5 DDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc[nH]n1 ZINC000120939806 195267757 /nfs/dbraw/zinc/26/77/57/195267757.db2.gz NTXULIMHFROULT-UHFFFAOYSA-N 0 1 321.362 1.797 20 5 DDBDMN COc1ccc(CN[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000069144524 406685502 /nfs/dbraw/zinc/68/55/02/406685502.db2.gz SMJXUGXHWRUGTB-LLVKDONJSA-N 0 1 314.363 1.270 20 5 DDBDMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCN1CCCCC1 ZINC000078386207 407026830 /nfs/dbraw/zinc/02/68/30/407026830.db2.gz RCIHTDVXCRTYME-UHFFFAOYSA-N 0 1 303.318 1.677 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000178894332 407643939 /nfs/dbraw/zinc/64/39/39/407643939.db2.gz DYHKWJIOMZADAH-ZJUUUORDSA-N 0 1 307.306 1.328 20 5 DDBDMN CCC[C@](C)(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000180228657 407864635 /nfs/dbraw/zinc/86/46/35/407864635.db2.gz QFHFOGMJFCVQCK-CQSZACIVSA-N 0 1 306.322 1.752 20 5 DDBDMN CCS(=O)(=O)NCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173356893 407876295 /nfs/dbraw/zinc/87/62/95/407876295.db2.gz GAIMIOPCQDICDG-SNVBAGLBSA-N 0 1 301.368 1.185 20 5 DDBDMN 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CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000285891037 408884518 /nfs/dbraw/zinc/88/45/18/408884518.db2.gz SFLDQWFWYGWHMU-SFYZADRCSA-N 0 1 323.334 1.377 20 5 DDBDMN CN1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291744302 408915082 /nfs/dbraw/zinc/91/50/82/408915082.db2.gz ZAZFHXOFZVHIAX-UHFFFAOYSA-N 0 1 315.377 1.802 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CN1CCN(C)CC1 ZINC000192577361 163228064 /nfs/dbraw/zinc/22/80/64/163228064.db2.gz QJCROVGMNTWRPV-NSHDSACASA-N 0 1 310.402 1.167 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)CSc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000286267826 408951988 /nfs/dbraw/zinc/95/19/88/408951988.db2.gz HCKXDBPEAQUNOC-MRVPVSSYSA-N 0 1 321.362 1.991 20 5 DDBDMN CCOCC[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000277506159 408953423 /nfs/dbraw/zinc/95/34/23/408953423.db2.gz MVLROMHFJXVJME-INIZCTEOSA-N 0 1 323.393 1.504 20 5 DDBDMN CC(C)[C@@](C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000287958468 409122197 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O=c1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)[nH][nH]1 ZINC000285594956 409502420 /nfs/dbraw/zinc/50/24/20/409502420.db2.gz LJUCPGBBGFWTHF-MRVPVSSYSA-N 0 1 307.285 1.529 20 5 DDBDMN COc1cc(CNC[C@H]2COCCO2)c([N+](=O)[O-])cc1OC ZINC000337871692 409525248 /nfs/dbraw/zinc/52/52/48/409525248.db2.gz OALINUGKSADBIB-NSHDSACASA-N 0 1 312.322 1.117 20 5 DDBDMN CSCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000342308195 409573838 /nfs/dbraw/zinc/57/38/38/409573838.db2.gz NGCKIJICRQOLGJ-CYBMUJFWSA-N 0 1 311.407 1.894 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000331691108 409772973 /nfs/dbraw/zinc/77/29/73/409772973.db2.gz YEICJHFQVYKQMA-NEPJUHHUSA-N 0 1 316.317 1.574 20 5 DDBDMN CC(C)[N@H+]1CC[C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000319989861 409900122 /nfs/dbraw/zinc/90/01/22/409900122.db2.gz GOCDZWDZPAUCBN-SNVBAGLBSA-N 0 1 308.338 1.830 20 5 DDBDMN Cc1ccc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])n[nH]3)[nH][nH]2)o1 ZINC000357355622 409989683 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C[C@@]1(C(N)=O)CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000355678133 410637061 /nfs/dbraw/zinc/63/70/61/410637061.db2.gz ICMIHNDPEXSMJP-OAHLLOKOSA-N 0 1 321.333 1.159 20 5 DDBDMN CN(C)C1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359643195 410788770 /nfs/dbraw/zinc/78/87/70/410788770.db2.gz ZHSSGSHPEWTJRO-UHFFFAOYSA-N 0 1 315.276 1.582 20 5 DDBDMN O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000337589055 410881449 /nfs/dbraw/zinc/88/14/49/410881449.db2.gz BJBNXNMRODWHAD-HTRCEHHLSA-N 0 1 304.253 1.598 20 5 DDBDMN Cc1[nH]nc(C(=O)Nc2ccccc2-c2nnc[nH]2)c1[N+](=O)[O-] ZINC000356200607 410889934 /nfs/dbraw/zinc/88/99/34/410889934.db2.gz CLDCICHVMVURKF-UHFFFAOYSA-N 0 1 313.277 1.664 20 5 DDBDMN CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356649967 411117085 /nfs/dbraw/zinc/11/70/85/411117085.db2.gz QVECLKRYNHQMAN-JTQLQIEISA-N 0 1 310.354 1.546 20 5 DDBDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356649967 411117086 /nfs/dbraw/zinc/11/70/86/411117086.db2.gz QVECLKRYNHQMAN-JTQLQIEISA-N 0 1 310.354 1.546 20 5 DDBDMN C[C@@H]1CCN(C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000353765114 411125402 /nfs/dbraw/zinc/12/54/02/411125402.db2.gz GIJMQPCQSQUTCD-SNVBAGLBSA-N 0 1 317.349 1.637 20 5 DDBDMN O=[N+]([O-])c1ccc(CCN2CCN([C@H]3CCOC3)CC2)cc1 ZINC000366514972 418483571 /nfs/dbraw/zinc/48/35/71/418483571.db2.gz LACOSYCDSUBFQE-INIZCTEOSA-N 0 1 305.378 1.544 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)NCCCc2cn[nH]c2C)n1 ZINC000191954568 222113438 /nfs/dbraw/zinc/11/34/38/222113438.db2.gz GNTIMWBBVFYJSX-UHFFFAOYSA-N 0 1 306.326 1.205 20 5 DDBDMN CC(C)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])Cc2ccccc21 ZINC000375064768 418598757 /nfs/dbraw/zinc/59/87/57/418598757.db2.gz ZCHFDDUOPBFIMH-HIFRSBDPSA-N 0 1 303.362 1.909 20 5 DDBDMN Cn1cc([C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000375403649 418634388 /nfs/dbraw/zinc/63/43/88/418634388.db2.gz MEHSTFRLLLNZRN-MELADBBJSA-N 0 1 318.308 1.430 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362055744 418745661 /nfs/dbraw/zinc/74/56/61/418745661.db2.gz NHJIIEZLYDTUFR-WCFLWFBJSA-N 0 1 321.377 1.790 20 5 DDBDMN Cc1nc(NC[C@H]2CCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000370531767 418745720 /nfs/dbraw/zinc/74/57/20/418745720.db2.gz UBFQIKDQPLPVMJ-HIFRSBDPSA-N 0 1 320.393 2.211 20 5 DDBDMN CC(C)c1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000371030746 418756658 /nfs/dbraw/zinc/75/66/58/418756658.db2.gz JJHHUBZIYDYWJF-RWMBFGLXSA-N 0 1 306.366 1.663 20 5 DDBDMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC000364818923 418813127 /nfs/dbraw/zinc/81/31/27/418813127.db2.gz ZQTWTHRYNGHCHO-BXUZGUMPSA-N 0 1 319.361 1.857 20 5 DDBDMN Cc1nc([C@H](C)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000411371935 418897548 /nfs/dbraw/zinc/89/75/48/418897548.db2.gz BFSSIRFHLNPMFR-ONGXEEELSA-N 0 1 317.353 1.664 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2nnc[nH]2)C1 ZINC000425071208 228361458 /nfs/dbraw/zinc/36/14/58/228361458.db2.gz YHUAPOAWRUUHTI-QMMMGPOBSA-N 0 1 303.278 1.048 20 5 DDBDMN CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420960102 419384752 /nfs/dbraw/zinc/38/47/52/419384752.db2.gz RCCAWLUXPIEGAV-MCIONIFRSA-N 0 1 312.370 1.042 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)n1 ZINC000427594976 419689438 /nfs/dbraw/zinc/68/94/38/419689438.db2.gz BSFTXJJTWJRXHB-LLVKDONJSA-N 0 1 307.354 1.120 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@H](CC)O[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000421953531 419786616 /nfs/dbraw/zinc/78/66/16/419786616.db2.gz NIRNOFWTCMUQSH-UWVGGRQHSA-N 0 1 310.354 1.910 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000427855509 419754914 /nfs/dbraw/zinc/75/49/14/419754914.db2.gz CWXDWOYRCOPGIZ-CQSZACIVSA-N 0 1 319.361 1.770 20 5 DDBDMN COC(=O)c1cc(NC(=O)N2CCNCC2)c(C)c([N+](=O)[O-])c1 ZINC000415593654 420121265 /nfs/dbraw/zinc/12/12/65/420121265.db2.gz FFCFGQDJPPKYKN-UHFFFAOYSA-N 0 1 322.321 1.127 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000439888946 420542891 /nfs/dbraw/zinc/54/28/91/420542891.db2.gz RFYPZCBUAKUBOA-QMMMGPOBSA-N 0 1 320.309 1.994 20 5 DDBDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000457098794 420613410 /nfs/dbraw/zinc/61/34/10/420613410.db2.gz ULLLFHKPWWSSQI-LBPRGKRZSA-N 0 1 307.350 1.855 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)N(C)C)c1C ZINC000451933349 420616966 /nfs/dbraw/zinc/61/69/66/420616966.db2.gz PZCSQORIEGEECQ-JTQLQIEISA-N 0 1 315.395 1.440 20 5 DDBDMN C[C@H]1CN(CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452121881 420621843 /nfs/dbraw/zinc/62/18/43/420621843.db2.gz GZWMJFQRBIJJHY-NSHDSACASA-N 0 1 313.785 1.747 20 5 DDBDMN COCC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000447884211 420810040 /nfs/dbraw/zinc/81/00/40/420810040.db2.gz ZAFSBOLINCAZTF-UHFFFAOYSA-N 0 1 304.306 1.580 20 5 DDBDMN C[C@H](N[C@H](CO)[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447912277 420816096 /nfs/dbraw/zinc/81/60/96/420816096.db2.gz JSMLNMWIQIEPIU-ZLKJLUDKSA-N 0 1 323.349 1.051 20 5 DDBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000459791211 420873879 /nfs/dbraw/zinc/87/38/79/420873879.db2.gz STUBKZDVMUGCNV-DGCLKSJQSA-N 0 1 320.349 1.419 20 5 DDBDMN CNc1nc(C(=O)NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000456022154 421089471 /nfs/dbraw/zinc/08/94/71/421089471.db2.gz IJTMQAAHKVEOEH-UHFFFAOYSA-N 0 1 305.338 1.023 20 5 DDBDMN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2CCCO)c(Cl)c1 ZINC000450599218 421215766 /nfs/dbraw/zinc/21/57/66/421215766.db2.gz SEFCRZFVKLZQAE-JTQLQIEISA-N 0 1 314.773 1.902 20 5 DDBDMN Cc1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000525699898 421297453 /nfs/dbraw/zinc/29/74/53/421297453.db2.gz ZFPBICHLJRGOIN-UHFFFAOYSA-N 0 1 313.360 1.838 20 5 DDBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000497274858 421399380 /nfs/dbraw/zinc/39/93/80/421399380.db2.gz KATUHAPWOQQDNT-HBNTYKKESA-N 0 1 313.354 1.119 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCS(=O)(=O)N(C)C ZINC000515925423 421522943 /nfs/dbraw/zinc/52/29/43/421522943.db2.gz VBRUIJANBLVJMJ-LLVKDONJSA-N 0 1 315.395 1.445 20 5 DDBDMN CN(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccsc1 ZINC000549159296 421496760 /nfs/dbraw/zinc/49/67/60/421496760.db2.gz FRZUUAJVVOEIPY-SNVBAGLBSA-N 0 1 309.351 1.412 20 5 DDBDMN CC(C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000571268788 421702009 /nfs/dbraw/zinc/70/20/09/421702009.db2.gz UXZUGZNIEPLWGM-SNVBAGLBSA-N 0 1 308.338 1.156 20 5 DDBDMN CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000571268788 421702010 /nfs/dbraw/zinc/70/20/10/421702010.db2.gz UXZUGZNIEPLWGM-SNVBAGLBSA-N 0 1 308.338 1.156 20 5 DDBDMN CC(C)[N@H+]1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000571268788 421702014 /nfs/dbraw/zinc/70/20/14/421702014.db2.gz UXZUGZNIEPLWGM-SNVBAGLBSA-N 0 1 308.338 1.156 20 5 DDBDMN NC(=O)c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571281470 421702550 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CC(C)CCc1nnc(NC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000597873506 422392390 /nfs/dbraw/zinc/39/23/90/422392390.db2.gz SZZMYYXMRJVTOM-UHFFFAOYSA-N 0 1 310.339 2.010 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H](O)C1CCC1 ZINC000316144359 271016267 /nfs/dbraw/zinc/01/62/67/271016267.db2.gz WFODZEJIZUTWFQ-LLVKDONJSA-N 0 1 318.326 1.173 20 5 DDBDMN Cc1ccc2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000344477601 272034330 /nfs/dbraw/zinc/03/43/30/272034330.db2.gz HKVVJASQHOWJOY-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnc[nH]3)c2)n1 ZINC000344604828 272068587 /nfs/dbraw/zinc/06/85/87/272068587.db2.gz MEMJPKMNZWIAEH-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(CCO)CC1 ZINC000450214322 275039584 /nfs/dbraw/zinc/03/95/84/275039584.db2.gz XZFOKNHMOFXEFZ-UHFFFAOYSA-N 0 1 302.334 1.257 20 5 DDBDMN CCC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1nn[nH]n1 ZINC000128797473 281323016 /nfs/dbraw/zinc/32/30/16/281323016.db2.gz ZEGZDEYQSBREPS-NSHDSACASA-N 0 1 318.337 1.616 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000363023367 300199632 /nfs/dbraw/zinc/19/96/32/300199632.db2.gz JXBBOQGNAGDTSA-GRYCIOLGSA-N 0 1 319.365 1.333 20 5 DDBDMN C[C@@H](CO)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364210743 300358072 /nfs/dbraw/zinc/35/80/72/300358072.db2.gz FUQCMBKSISCLDA-LBPRGKRZSA-N 0 1 307.350 1.124 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCc2ccccc2OC1 ZINC000368488545 301038684 /nfs/dbraw/zinc/03/86/84/301038684.db2.gz PVSXAJRSVSXKIB-LBPRGKRZSA-N 0 1 302.334 1.812 20 5 DDBDMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000368824150 301093251 /nfs/dbraw/zinc/09/32/51/301093251.db2.gz KIJKMDSLMJOANY-ZDUSSCGKSA-N 0 1 324.300 1.627 20 5 DDBDMN CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000369535743 301196010 /nfs/dbraw/zinc/19/60/10/301196010.db2.gz CDAZQCPDSRIJDA-UKRRQHHQSA-N 0 1 324.381 1.451 20 5 DDBDMN COc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000370342028 301320124 /nfs/dbraw/zinc/32/01/24/301320124.db2.gz SCMJLWXQYHEDQG-SNVBAGLBSA-N 0 1 316.317 1.614 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2noc(C(F)F)n2)CC1 ZINC000376033241 302028357 /nfs/dbraw/zinc/02/83/57/302028357.db2.gz CHQBTLAAVLSPNL-YUMQZZPRSA-N 0 1 316.264 1.378 20 5 DDBDMN O=[N+]([O-])c1ccc(Cc2noc([C@H]3C[C@H]3c3nc[nH]n3)n2)cc1 ZINC000377441061 302180119 /nfs/dbraw/zinc/18/01/19/302180119.db2.gz DJMPUOVUGZDBND-MNOVXSKESA-N 0 1 312.289 1.958 20 5 DDBDMN Cc1cnc(N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c([N+](=O)[O-])c1 ZINC000291000489 302349426 /nfs/dbraw/zinc/34/94/26/302349426.db2.gz VATWSKMMOBZWPG-SECBINFHSA-N 0 1 305.294 1.359 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397635001 302355953 /nfs/dbraw/zinc/35/59/53/302355953.db2.gz OWAWXWAXWQMAIO-AYMMMOKOSA-N 0 1 300.311 1.811 20 5 DDBDMN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443065 302384910 /nfs/dbraw/zinc/38/49/10/302384910.db2.gz 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CCCCN(CCO)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000078665045 353527766 /nfs/dbraw/zinc/52/77/66/353527766.db2.gz QXAVOCMLJRDUBT-UHFFFAOYSA-N 0 1 309.366 1.936 20 5 DDBDMN C[C@H]1CN(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)CCO1 ZINC000078960995 353543154 /nfs/dbraw/zinc/54/31/54/353543154.db2.gz IHVKREMAINXHPQ-NSHDSACASA-N 0 1 309.370 1.018 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000617722341 363253414 /nfs/dbraw/zinc/25/34/14/363253414.db2.gz MJIQDSLKKJGVOS-SECBINFHSA-N 0 1 303.322 1.484 20 5 DDBDMN COC(=O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000089265856 353763759 /nfs/dbraw/zinc/76/37/59/353763759.db2.gz YSTWVCRNPNFFMB-LBPRGKRZSA-N 0 1 307.350 1.668 20 5 DDBDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601310473 358490141 /nfs/dbraw/zinc/49/01/41/358490141.db2.gz PMJFASSNPBLPCY-JOYOIKCWSA-N 0 1 307.325 1.946 20 5 DDBDMN COc1cccc(N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000585781955 354841259 /nfs/dbraw/zinc/84/12/59/354841259.db2.gz 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ZINC000593732604 355979249 /nfs/dbraw/zinc/97/92/49/355979249.db2.gz PSQYCEICYKWRET-UHFFFAOYSA-N 0 1 312.322 1.388 20 5 DDBDMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1ccccc1[N+](=O)[O-] ZINC000594384535 356192267 /nfs/dbraw/zinc/19/22/67/356192267.db2.gz CUNSDFPAOSCZSB-LLVKDONJSA-N 0 1 317.305 1.494 20 5 DDBDMN CC[C@@H](C)C[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594792006 356318009 /nfs/dbraw/zinc/31/80/09/356318009.db2.gz BUFDYPYNHMPDKI-NXEZZACHSA-N 0 1 317.367 1.065 20 5 DDBDMN Cc1cc(S(=O)(=O)N(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000594794445 356319074 /nfs/dbraw/zinc/31/90/74/356319074.db2.gz FXSYSHMTCIYOFW-UHFFFAOYSA-N 0 1 310.335 1.447 20 5 DDBDMN CCC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594797158 356320532 /nfs/dbraw/zinc/32/05/32/356320532.db2.gz UNKRVXXGVZUPOB-NXEZZACHSA-N 0 1 317.367 1.065 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594852649 356337586 /nfs/dbraw/zinc/33/75/86/356337586.db2.gz OGFDOBCRVGPNAG-GARJFASQSA-N 0 1 311.363 1.704 20 5 DDBDMN CN(Cc1cnc[nH]1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595591492 356566383 /nfs/dbraw/zinc/56/63/83/356566383.db2.gz IPYPTMBBKLGPDQ-LBPRGKRZSA-N 0 1 306.322 1.190 20 5 DDBDMN Cc1c(CNC(=O)N(C)Cc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000595588988 356565435 /nfs/dbraw/zinc/56/54/35/356565435.db2.gz YDTHQASSOZCORJ-UHFFFAOYSA-N 0 1 303.322 1.968 20 5 DDBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000597809238 357339681 /nfs/dbraw/zinc/33/96/81/357339681.db2.gz SRZAREWWMOMWSU-SECBINFHSA-N 0 1 316.321 1.813 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000597923679 357383529 /nfs/dbraw/zinc/38/35/29/357383529.db2.gz OEVYZRCSWZUNKB-JTQLQIEISA-N 0 1 307.350 1.903 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598161194 357478508 /nfs/dbraw/zinc/47/85/08/357478508.db2.gz CAXWMORAQFVFTH-UHFFFAOYSA-N 0 1 303.322 1.105 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](O)CC23CCC3)c1[N+](=O)[O-] ZINC000598743667 357712222 /nfs/dbraw/zinc/71/22/22/357712222.db2.gz CAHZUFNKCSBHTO-JTQLQIEISA-N 0 1 322.365 1.961 20 5 DDBDMN CC1(N2CCOCC2)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000599161482 357833843 /nfs/dbraw/zinc/83/38/43/357833843.db2.gz YIPZAIAJRSMTES-UHFFFAOYSA-N 0 1 306.366 1.681 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC23CCC(CC2)C3)n1 ZINC000599267735 357869454 /nfs/dbraw/zinc/86/94/54/357869454.db2.gz ZHPNTLNUQMUXHL-UHFFFAOYSA-N 0 1 314.367 1.187 20 5 DDBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H]1C[C@@H](O)C1 ZINC000599673868 358019611 /nfs/dbraw/zinc/01/96/11/358019611.db2.gz UVPFSUZYYATKIJ-VDISTLRHSA-N 0 1 319.361 1.187 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000600184792 358150141 /nfs/dbraw/zinc/15/01/41/358150141.db2.gz QFXNESFCBFIENF-RNFRBKRXSA-N 0 1 302.281 1.990 20 5 DDBDMN C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000600314785 358194552 /nfs/dbraw/zinc/19/45/52/358194552.db2.gz PLVBPHWTZDFUQH-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000600675370 358279515 /nfs/dbraw/zinc/27/95/15/358279515.db2.gz MDPRFOVBQFWVKP-CQSZACIVSA-N 0 1 310.306 1.149 20 5 DDBDMN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C2 ZINC000600824068 358326256 /nfs/dbraw/zinc/32/62/56/358326256.db2.gz JUQLOUJLHPWYBP-HNNXBMFYSA-N 0 1 320.349 1.253 20 5 DDBDMN C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000600824068 358326259 /nfs/dbraw/zinc/32/62/59/358326259.db2.gz JUQLOUJLHPWYBP-HNNXBMFYSA-N 0 1 320.349 1.253 20 5 DDBDMN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000600824068 358326263 /nfs/dbraw/zinc/32/62/63/358326263.db2.gz JUQLOUJLHPWYBP-HNNXBMFYSA-N 0 1 320.349 1.253 20 5 DDBDMN Cn1cc(CN2CCSC3(CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602618539 359077633 /nfs/dbraw/zinc/07/76/33/359077633.db2.gz IXBNMRLBJMNFMQ-UHFFFAOYSA-N 0 1 312.395 1.426 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602737663 359158355 /nfs/dbraw/zinc/15/83/55/359158355.db2.gz HMSPLEQHOHCVMT-GXSJLCMTSA-N 0 1 320.267 1.903 20 5 DDBDMN COc1ccc(CN2C[C@@H](OC)C[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000602963873 359327734 /nfs/dbraw/zinc/32/77/34/359327734.db2.gz JLEQPQOAGDOFCA-SWLSCSKDSA-N 0 1 310.350 1.575 20 5 DDBDMN CC[N@@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000603144646 359433183 /nfs/dbraw/zinc/43/31/83/359433183.db2.gz LEOZKIFXNLFQKJ-PHIMTYICSA-N 0 1 307.350 1.855 20 5 DDBDMN C[C@H]1COCCN1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000603400393 359616402 /nfs/dbraw/zinc/61/64/02/359616402.db2.gz HLLCJWDUHKEZBL-LBPRGKRZSA-N 0 1 306.366 1.679 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000610005388 360372531 /nfs/dbraw/zinc/37/25/31/360372531.db2.gz NSOQWCRLBHQHMH-UHFFFAOYSA-N 0 1 314.298 1.244 20 5 DDBDMN Cc1cnc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000610284068 360408389 /nfs/dbraw/zinc/40/83/89/360408389.db2.gz MSGHWZFQTSSVBK-TZMCWYRMSA-N 0 1 306.366 1.334 20 5 DDBDMN CCOC(=O)c1ccnc(N2CCc3cn[nH]c3C2)c1[N+](=O)[O-] ZINC000611006261 360598953 /nfs/dbraw/zinc/59/89/53/360598953.db2.gz BYWWXHYMHNSKEK-UHFFFAOYSA-N 0 1 317.305 1.452 20 5 DDBDMN Cc1ccncc1[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000611292270 360691351 /nfs/dbraw/zinc/69/13/51/360691351.db2.gz BNJQAHILDQXCNF-JTQLQIEISA-N 0 1 322.346 1.733 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c1[N+](=O)[O-] ZINC000611903074 360853103 /nfs/dbraw/zinc/85/31/03/360853103.db2.gz VMYRXJKYOLAUOV-GFCCVEGCSA-N 0 1 315.333 1.726 20 5 DDBDMN CCc1nn(C)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618822609 363769949 /nfs/dbraw/zinc/76/99/49/363769949.db2.gz HMOUOIHMWPPEBP-UHFFFAOYSA-N 0 1 318.381 1.924 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(NCCCN2CCC[C@H]2C(N)=O)n1 ZINC000359099315 299328000 /nfs/dbraw/zinc/32/80/00/299328000.db2.gz VFLMGVYXNSFZMO-LBPRGKRZSA-N 0 1 321.381 1.358 20 5 DDBDMN CCCc1n[nH]c(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000618920882 363801550 /nfs/dbraw/zinc/80/15/50/363801550.db2.gz GSJQTBJJKXWBDJ-UHFFFAOYSA-N 0 1 307.354 1.048 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000618920882 363801552 /nfs/dbraw/zinc/80/15/52/363801552.db2.gz GSJQTBJJKXWBDJ-UHFFFAOYSA-N 0 1 307.354 1.048 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000619479761 364029187 /nfs/dbraw/zinc/02/91/87/364029187.db2.gz DNUSPMZMKNBARC-OLZOCXBDSA-N 0 1 323.397 1.155 20 5 DDBDMN Cc1ccc([C@H](C)NCC(=O)NCC(F)F)cc1[N+](=O)[O-] ZINC000271821708 209243546 /nfs/dbraw/zinc/24/35/46/209243546.db2.gz UNYFMJIQWOZPSJ-VIFPVBQESA-N 0 1 301.293 1.935 20 5 DDBDMN CCOC[C@@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000264978422 204319894 /nfs/dbraw/zinc/31/98/94/204319894.db2.gz KATWIHWJTLUKCF-HNNXBMFYSA-N 0 1 309.366 1.114 20 5 DDBDMN CCC[C@]1(CO)CCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000278176567 214005654 /nfs/dbraw/zinc/00/56/54/214005654.db2.gz QMZQHOUPNJVFQV-CQSZACIVSA-N 0 1 310.354 1.648 20 5 DDBDMN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274737173 211885172 /nfs/dbraw/zinc/88/51/72/211885172.db2.gz DWPBRADCUGOMSX-BDAKNGLRSA-N 0 1 310.306 1.618 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000266073064 205074224 /nfs/dbraw/zinc/07/42/24/205074224.db2.gz FLUDKRYKWZYYEQ-LBPRGKRZSA-N 0 1 307.350 1.354 20 5 DDBDMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179526155 284352841 /nfs/dbraw/zinc/35/28/41/284352841.db2.gz FKCNKBLXVWIVTE-LLVKDONJSA-N 0 1 307.350 1.714 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000267413435 206051413 /nfs/dbraw/zinc/05/14/13/206051413.db2.gz VJEWIBYPDQUXOO-SECBINFHSA-N 0 1 324.337 1.430 20 5 DDBDMN O=C(NC1CC1)N[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339097872 250291149 /nfs/dbraw/zinc/29/11/49/250291149.db2.gz YTQHWHQAMRSVIA-GFCCVEGCSA-N 0 1 320.349 1.336 20 5 DDBDMN O=[N+]([O-])c1ccc(CCN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000285020503 218258505 /nfs/dbraw/zinc/25/85/05/218258505.db2.gz ZCFHCPNTCCCPCM-GVDBMIGSSA-N 0 1 320.389 1.999 20 5 DDBDMN CC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000567473787 304222290 /nfs/dbraw/zinc/22/22/90/304222290.db2.gz SJWQIIYYLNOMOF-UHFFFAOYSA-N 0 1 313.741 1.732 20 5 DDBDMN C[C@H]1C[C@H](NC(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000340948526 251296869 /nfs/dbraw/zinc/29/68/69/251296869.db2.gz CCDMCSCTGINSIM-WCQYABFASA-N 0 1 306.366 1.877 20 5 DDBDMN COc1cc(N2C[C@H](C)N(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000418996550 532958915 /nfs/dbraw/zinc/95/89/15/532958915.db2.gz FJSNLTQUGGGNER-NWDGAFQWSA-N 0 1 309.366 1.495 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000270033345 208087703 /nfs/dbraw/zinc/08/77/03/208087703.db2.gz BODWRUFCGDVBOX-ONGXEEELSA-N 0 1 310.354 1.503 20 5 DDBDMN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[N@H+]1C1CC1 ZINC000158161164 197248261 /nfs/dbraw/zinc/24/82/61/197248261.db2.gz XCMZBLGOWDPKEB-NXEZZACHSA-N 0 1 305.334 1.655 20 5 DDBDMN CCC[N@H+]1CC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000567981512 304258273 /nfs/dbraw/zinc/25/82/73/304258273.db2.gz MZGAMUJOKYRQGV-SNVBAGLBSA-N 0 1 308.338 1.832 20 5 DDBDMN O=[N+]([O-])c1cccnc1N1CCN(CC2(O)CCCC2)CC1 ZINC000459507089 285165989 /nfs/dbraw/zinc/16/59/89/285165989.db2.gz KMUSMNXISWIZEN-UHFFFAOYSA-N 0 1 306.366 1.417 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H]1CCC[C@H]1O ZINC000352659750 285204262 /nfs/dbraw/zinc/20/42/62/285204262.db2.gz LDZFEUSGPDYADK-DDTOSNHZSA-N 0 1 307.350 1.767 20 5 DDBDMN COC[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452042393 285267377 /nfs/dbraw/zinc/26/73/77/285267377.db2.gz TZAMINWOYYCISV-ZDUSSCGKSA-N 0 1 307.350 1.695 20 5 DDBDMN C[C@H](C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000496105347 307325975 /nfs/dbraw/zinc/32/59/75/307325975.db2.gz PUYRRHCGRYDJSK-LNFKQOIKSA-N 0 1 315.370 1.460 20 5 DDBDMN CN(C)S(=O)(=O)CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000289493410 221015983 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C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCCCC1 ZINC000123434659 407328820 /nfs/dbraw/zinc/32/88/20/407328820.db2.gz SBOFPTVNUVXXPN-UHFFFAOYSA-N 0 1 322.365 1.690 20 5 DDBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107696849 407378199 /nfs/dbraw/zinc/37/81/99/407378199.db2.gz MGEQTVWHGGWOIJ-LBPRGKRZSA-N 0 1 307.350 1.892 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129458012 407612992 /nfs/dbraw/zinc/61/29/92/407612992.db2.gz QGZRAUNSPQGQBF-CYBMUJFWSA-N 0 1 323.368 1.888 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](CN2CCOCC2)C1 ZINC000129458012 407613003 /nfs/dbraw/zinc/61/30/03/407613003.db2.gz QGZRAUNSPQGQBF-CYBMUJFWSA-N 0 1 323.368 1.888 20 5 DDBDMN Cc1cc(NC2CCN(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000271320552 407631982 /nfs/dbraw/zinc/63/19/82/407631982.db2.gz OKQZXGWVRVWNCH-UHFFFAOYSA-N 0 1 320.393 1.868 20 5 DDBDMN Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000115716737 407702878 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[NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237997126 407866779 /nfs/dbraw/zinc/86/67/79/407866779.db2.gz DLPLUXDXTNCXMI-BDAKNGLRSA-N 0 1 319.408 1.452 20 5 DDBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H](O)C[C@H]2CO)o1 ZINC000187668838 407878065 /nfs/dbraw/zinc/87/80/65/407878065.db2.gz PLDGINFVUMTOQM-RYUDHWBXSA-N 0 1 318.329 1.782 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000153713793 407885343 /nfs/dbraw/zinc/88/53/43/407885343.db2.gz HTRNWSJFYYRZCG-SNVBAGLBSA-N 0 1 316.321 1.112 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1[n-]ncc1[N+](=O)[O-] ZINC000153713793 407885345 /nfs/dbraw/zinc/88/53/45/407885345.db2.gz HTRNWSJFYYRZCG-SNVBAGLBSA-N 0 1 316.321 1.112 20 5 DDBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000262759611 407920175 /nfs/dbraw/zinc/92/01/75/407920175.db2.gz QXKIPNOSZREBAY-UHFFFAOYSA-N 0 1 319.770 1.279 20 5 DDBDMN O=C(NCc1ccc(=O)[nH]c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000118696146 407935777 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C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000407993569 164191817 /nfs/dbraw/zinc/19/18/17/164191817.db2.gz QFPGSRGIUSSUBZ-ABAIWWIYSA-N 0 1 308.334 1.680 20 5 DDBDMN CSC[C@H](CCO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356725527 409550736 /nfs/dbraw/zinc/55/07/36/409550736.db2.gz JOKJHRJCCOFVOX-VIFPVBQESA-N 0 1 300.336 1.144 20 5 DDBDMN Cn1cnnc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331505196 409579473 /nfs/dbraw/zinc/57/94/73/409579473.db2.gz BSGYUCODAZREGN-GHMZBOCLSA-N 0 1 305.342 1.193 20 5 DDBDMN Cc1cc(F)c(NC(=O)NCCCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000296913863 409702922 /nfs/dbraw/zinc/70/29/22/409702922.db2.gz YQBFGFMDECOAHY-UHFFFAOYSA-N 0 1 322.300 1.915 20 5 DDBDMN Cc1nn(CCC(=O)N2CCN(C)[C@H](C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000356835048 409647947 /nfs/dbraw/zinc/64/79/47/409647947.db2.gz BFTQUMIKABYBSH-NEPJUHHUSA-N 0 1 323.397 1.349 20 5 DDBDMN CC(C)(O)[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000305187001 409724297 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C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000320021073 698717214 /nfs/dbraw/zinc/71/72/14/698717214.db2.gz AXCIYNFKWZQJCJ-YUMQZZPRSA-N 0 1 305.331 1.138 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787329724 699206260 /nfs/dbraw/zinc/20/62/60/699206260.db2.gz DEYFIXNZNRPAFU-MYPMTAMASA-N 0 1 319.361 1.214 20 5 DDBDMN Cc1nc(COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000795483854 699871436 /nfs/dbraw/zinc/87/14/36/699871436.db2.gz WBVKBZRMKUBKST-UHFFFAOYSA-N 0 1 313.273 1.927 20 5 DDBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)n[nH]1 ZINC000754771899 700526065 /nfs/dbraw/zinc/52/60/65/700526065.db2.gz DNCAHIMAOQZCOF-UHFFFAOYSA-N 0 1 319.321 1.698 20 5 DDBDMN CCc1[nH]nc(C(=O)N(CC)CCc2ccccn2)c1[N+](=O)[O-] ZINC000764350242 700967700 /nfs/dbraw/zinc/96/77/00/700967700.db2.gz CIDNPUDQICAFNP-UHFFFAOYSA-N 0 1 317.349 1.980 20 5 DDBDMN CN(C)C(=O)CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769663272 701251427 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VVCFCKSOOZZEDS-UHFFFAOYSA-N 0 1 324.381 1.194 20 5 DDBDMN COC[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000611585643 360768658 /nfs/dbraw/zinc/76/86/58/360768658.db2.gz XTLXFKIXCSYXNG-NSHDSACASA-N 0 1 312.322 1.117 20 5 DDBDMN CNS(=O)(=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193330574 201032586 /nfs/dbraw/zinc/03/25/86/201032586.db2.gz HZWBOSIUMQRJSR-ZDUSSCGKSA-N 0 1 313.379 1.111 20 5 DDBDMN COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000359095703 299327140 /nfs/dbraw/zinc/32/71/40/299327140.db2.gz ALWIIJPENUUOOE-TVQRCGJNSA-N 0 1 322.317 1.714 20 5 DDBDMN CC(C)[NH+](CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000193662153 201097528 /nfs/dbraw/zinc/09/75/28/201097528.db2.gz QRYYGXGJXKUXEE-UHFFFAOYSA-N 0 1 324.381 1.934 20 5 DDBDMN C[C@H]1OCC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349662359 284005369 /nfs/dbraw/zinc/00/53/69/284005369.db2.gz HWCNVQVKBNCMFJ-MFKMUULPSA-N 0 1 314.363 1.136 20 5 DDBDMN CN(CCCCO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349917899 284105537 /nfs/dbraw/zinc/10/55/37/284105537.db2.gz BXCZAZSWPBNAOL-CQSZACIVSA-N 0 1 307.350 1.404 20 5 DDBDMN COc1cccc(C(=O)NCCCc2nc[nH]n2)c1[N+](=O)[O-] ZINC000566405114 304150722 /nfs/dbraw/zinc/15/07/22/304150722.db2.gz ZQLOZCFTEVUFPL-UHFFFAOYSA-N 0 1 305.294 1.084 20 5 DDBDMN CC(C)(C)c1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000264726414 204106055 /nfs/dbraw/zinc/10/60/55/204106055.db2.gz HJSMODGGJBVTFQ-UHFFFAOYSA-N 0 1 303.322 1.940 20 5 DDBDMN COc1ccc(NC(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000274878704 212002993 /nfs/dbraw/zinc/00/29/93/212002993.db2.gz MQFWKIDIOXBYTN-UHFFFAOYSA-N 0 1 306.282 1.385 20 5 DDBDMN CCOC(=O)c1cc(N2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000267549600 206138711 /nfs/dbraw/zinc/13/87/11/206138711.db2.gz RIKHFMLHBNPQLN-UHFFFAOYSA-N 0 1 307.350 1.913 20 5 DDBDMN CCN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000023991162 182371672 /nfs/dbraw/zinc/37/16/72/182371672.db2.gz YNEYSHOXILONEH-LBPRGKRZSA-N 0 1 306.366 1.559 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1[N+](=O)[O-] ZINC000338768526 250129265 /nfs/dbraw/zinc/12/92/65/250129265.db2.gz JUXPKQSDGPYNGK-SNVBAGLBSA-N 0 1 304.310 1.300 20 5 DDBDMN COCCn1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000284985578 218246948 /nfs/dbraw/zinc/24/69/48/218246948.db2.gz GGNLCBMKBYGJTI-LLVKDONJSA-N 0 1 319.365 1.871 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118448 250301837 /nfs/dbraw/zinc/30/18/37/250301837.db2.gz LUBDVYFUSYQKKS-IUPBHXKESA-N 0 1 305.334 1.386 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000109619369 194277786 /nfs/dbraw/zinc/27/77/86/194277786.db2.gz DCTHFNSMVRLVBA-QMMMGPOBSA-N 0 1 312.326 1.152 20 5 DDBDMN CN(C)Cc1ccsc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269127299 207262654 /nfs/dbraw/zinc/26/26/54/207262654.db2.gz YZIIOJYETBLMLA-UHFFFAOYSA-N 0 1 323.378 1.344 20 5 DDBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155319646 197042978 /nfs/dbraw/zinc/04/29/78/197042978.db2.gz DKHJMEZFAGKRKW-STQMWFEESA-N 0 1 320.393 1.948 20 5 DDBDMN CO[C@H](C)[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000289535458 221049411 /nfs/dbraw/zinc/04/94/11/221049411.db2.gz MEBTXRJGWBIWJE-HTQZYQBOSA-N 0 1 306.315 1.436 20 5 DDBDMN C[C@@H](N[C@@H]1COCC1(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451809105 533528452 /nfs/dbraw/zinc/52/84/52/533528452.db2.gz LMNQUWJHUVDTGA-ZWNOBZJWSA-N 0 1 307.350 1.936 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000331651379 533661632 /nfs/dbraw/zinc/66/16/32/533661632.db2.gz RTXYQQDHFPWZKT-LLVKDONJSA-N 0 1 301.306 1.999 20 5 DDBDMN COC(=O)CCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000068955660 406672637 /nfs/dbraw/zinc/67/26/37/406672637.db2.gz CYYUHTMIXZGZAI-UHFFFAOYSA-N 0 1 320.305 1.544 20 5 DDBDMN CC(C)OC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665350 406884653 /nfs/dbraw/zinc/88/46/53/406884653.db2.gz ONFNCDJTVUTWMG-GFCCVEGCSA-N 0 1 322.365 1.818 20 5 DDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN(C)C)CC1 ZINC000067457686 407273759 /nfs/dbraw/zinc/27/37/59/407273759.db2.gz BJSULLKPUKKODK-ZDUSSCGKSA-N 0 1 320.393 1.362 20 5 DDBDMN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000105613126 407354205 /nfs/dbraw/zinc/35/42/05/407354205.db2.gz HESBUEOKACSPDG-CQSZACIVSA-N 0 1 307.350 1.574 20 5 DDBDMN COC[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265822724 407470379 /nfs/dbraw/zinc/47/03/79/407470379.db2.gz SFFZMFDQGPCZGC-LBPRGKRZSA-N 0 1 307.350 1.526 20 5 DDBDMN CN(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccsc1 ZINC000270978317 407448051 /nfs/dbraw/zinc/44/80/51/407448051.db2.gz ILIGBWHJUZJLIU-SECBINFHSA-N 0 1 309.351 1.412 20 5 DDBDMN COC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000265794797 407455161 /nfs/dbraw/zinc/45/51/61/407455161.db2.gz MYMBIOUOXNCPSH-NWDGAFQWSA-N 0 1 307.350 1.890 20 5 DDBDMN C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000186331045 407640352 /nfs/dbraw/zinc/64/03/52/407640352.db2.gz CQOZQGPHVCLVIS-NSHDSACASA-N 0 1 322.365 1.690 20 5 DDBDMN CCOC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000171367438 407670010 /nfs/dbraw/zinc/67/00/10/407670010.db2.gz ZDQLHWZDMGZVMT-SECBINFHSA-N 0 1 324.337 1.296 20 5 DDBDMN CC(=O)NC1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272556458 407982006 /nfs/dbraw/zinc/98/20/06/407982006.db2.gz QCIXQGLUFSQCMZ-UHFFFAOYSA-N 0 1 321.333 1.478 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153968168 407942893 /nfs/dbraw/zinc/94/28/93/407942893.db2.gz CZCZHRVSAJDLPB-LBPRGKRZSA-N 0 1 307.350 1.770 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153968278 407942923 /nfs/dbraw/zinc/94/29/23/407942923.db2.gz CZCZHRVSAJDLPB-GFCCVEGCSA-N 0 1 307.350 1.770 20 5 DDBDMN Cc1nn(CCC(=O)N2C[C@@H](C)N[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000154242914 408002668 /nfs/dbraw/zinc/00/26/68/408002668.db2.gz DYYGNPWHRFYZHN-NXEZZACHSA-N 0 1 309.370 1.007 20 5 DDBDMN COC(=O)c1cc(N(C)Cc2nnc[nH]2)cc(C)c1[N+](=O)[O-] ZINC000268476996 408062013 /nfs/dbraw/zinc/06/20/13/408062013.db2.gz JXWVBSFGHXOHBU-UHFFFAOYSA-N 0 1 305.294 1.444 20 5 DDBDMN COc1ccc(Cl)cc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136288449 408091584 /nfs/dbraw/zinc/09/15/84/408091584.db2.gz XEEOXHKBHKFABE-UHFFFAOYSA-N 0 1 310.697 1.910 20 5 DDBDMN O=C(NCC1(CO)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000182293848 408119757 /nfs/dbraw/zinc/11/97/57/408119757.db2.gz CSRIXIGLENUXOJ-UHFFFAOYSA-N 0 1 304.306 1.364 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000182429345 408155976 /nfs/dbraw/zinc/15/59/76/408155976.db2.gz BPCCQECHFCGBIN-QMMMGPOBSA-N 0 1 320.309 1.282 20 5 DDBDMN O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000138142096 408165125 /nfs/dbraw/zinc/16/51/25/408165125.db2.gz MCUMNJRJJGGWLK-UHFFFAOYSA-N 0 1 323.696 1.340 20 5 DDBDMN CCN(CC)C(=O)CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269288673 408255316 /nfs/dbraw/zinc/25/53/16/408255316.db2.gz ORBDUAWJQHFKNT-UHFFFAOYSA-N 0 1 323.349 1.679 20 5 DDBDMN C[C@@H]1Cc2ccccc2N1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000121475145 408221375 /nfs/dbraw/zinc/22/13/75/408221375.db2.gz ZBSBDGLGECKOPS-SNVBAGLBSA-N 0 1 315.333 1.499 20 5 DDBDMN C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1CO ZINC000190404558 408236105 /nfs/dbraw/zinc/23/61/05/408236105.db2.gz YCBSFIUNHOCDRG-IAQYHMDHSA-N 0 1 319.361 1.187 20 5 DDBDMN COc1ccccc1CN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176229270 408317076 /nfs/dbraw/zinc/31/70/76/408317076.db2.gz CDWJYAVUAHLUCD-UHFFFAOYSA-N 0 1 320.349 1.294 20 5 DDBDMN COC(=O)[C@@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000135356757 162100387 /nfs/dbraw/zinc/10/03/87/162100387.db2.gz FDXSMZZIFNCMJI-AWEZNQCLSA-N 0 1 308.334 1.341 20 5 DDBDMN C[C@H](O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000183202319 408352153 /nfs/dbraw/zinc/35/21/53/408352153.db2.gz UVHSEDUHHAFEIX-WDEREUQCSA-N 0 1 308.334 1.664 20 5 DDBDMN CC(=O)N(C)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269641008 408370506 /nfs/dbraw/zinc/37/05/06/408370506.db2.gz JDLZEAAYRZZKBR-MRXNPFEDSA-N 0 1 321.377 1.571 20 5 DDBDMN C[N@H+]1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268351 408441905 /nfs/dbraw/zinc/44/19/05/408441905.db2.gz KGDKJGXCIKJHIH-BXUZGUMPSA-N 0 1 315.333 1.493 20 5 DDBDMN CN1CC[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000247268351 408441919 /nfs/dbraw/zinc/44/19/19/408441919.db2.gz KGDKJGXCIKJHIH-BXUZGUMPSA-N 0 1 315.333 1.493 20 5 DDBDMN Cc1ccc(NCCCN2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000269913049 408466627 /nfs/dbraw/zinc/46/66/27/408466627.db2.gz IRUXMTHNEDNLKR-ZDUSSCGKSA-N 0 1 306.366 1.655 20 5 DDBDMN CC[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000270694090 408640221 /nfs/dbraw/zinc/64/02/21/408640221.db2.gz WPWCBGPRMBIKJZ-PRHODGIISA-N 0 1 304.306 1.314 20 5 DDBDMN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270727679 408656104 /nfs/dbraw/zinc/65/61/04/408656104.db2.gz FRHDRUQQKXAMRP-CABZTGNLSA-N 0 1 304.306 1.560 20 5 DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000275859660 408698302 /nfs/dbraw/zinc/69/83/02/408698302.db2.gz MHZIOHSSZSFEQG-NNUKFRKNSA-N 0 1 321.377 1.793 20 5 DDBDMN C[C@H](CCN(C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276144922 408822837 /nfs/dbraw/zinc/82/28/37/408822837.db2.gz CWCGVXUVKQLULB-SNVBAGLBSA-N 0 1 315.395 1.750 20 5 DDBDMN CC(=O)N1CCC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000280780867 408832894 /nfs/dbraw/zinc/83/28/94/408832894.db2.gz NNNYXNGSIJQUNZ-LLVKDONJSA-N 0 1 321.333 1.289 20 5 DDBDMN CCOC(=O)c1ccnc(N[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000286240493 408947081 /nfs/dbraw/zinc/94/70/81/408947081.db2.gz CXYPVQQJTDXHHR-SSDOTTSWSA-N 0 1 320.309 1.766 20 5 DDBDMN CCOC(=O)c1ccnc(N[C@@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000286240496 408947410 /nfs/dbraw/zinc/94/74/10/408947410.db2.gz CXYPVQQJTDXHHR-ZETCQYMHSA-N 0 1 320.309 1.766 20 5 DDBDMN Cc1n[nH]c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277456014 408943861 /nfs/dbraw/zinc/94/38/61/408943861.db2.gz GORMHWORVGJFFC-NSHDSACASA-N 0 1 307.354 1.373 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N(C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286354490 408969202 /nfs/dbraw/zinc/96/92/02/408969202.db2.gz HDLPMRFJPWHFKW-JTQLQIEISA-N 0 1 308.338 1.037 20 5 DDBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1nnc[nH]1 ZINC000279230081 409174444 /nfs/dbraw/zinc/17/44/44/409174444.db2.gz QBKMQUHOEJKCKC-ZETCQYMHSA-N 0 1 322.300 1.409 20 5 DDBDMN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC000283589882 409180889 /nfs/dbraw/zinc/18/08/89/409180889.db2.gz SAIDQWKQPAFTBW-AWEZNQCLSA-N 0 1 320.393 1.847 20 5 DDBDMN O=[N+]([O-])c1cccc(N2CCN(CCc3cn[nH]c3)CC2)c1 ZINC000290101452 409301228 /nfs/dbraw/zinc/30/12/28/409301228.db2.gz SBRRZLBSCANWDL-UHFFFAOYSA-N 0 1 301.350 1.683 20 5 DDBDMN CC(C)N(CCN1CCNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000290181484 409314914 /nfs/dbraw/zinc/31/49/14/409314914.db2.gz FJIQYIBXOIZEKT-UHFFFAOYSA-N 0 1 306.366 1.830 20 5 DDBDMN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290322972 409360402 /nfs/dbraw/zinc/36/04/02/409360402.db2.gz DOGUXVYCIQNGIN-ZYHUDNBSSA-N 0 1 320.349 1.394 20 5 DDBDMN CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284991610 409392246 /nfs/dbraw/zinc/39/22/46/409392246.db2.gz MSLLHYMFWGTKEW-QWRGUYRKSA-N 0 1 323.349 1.092 20 5 DDBDMN CC[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000316535486 164022447 /nfs/dbraw/zinc/02/24/47/164022447.db2.gz WWTFEBDLFOZVMC-CHWSQXEVSA-N 0 1 305.334 1.783 20 5 DDBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1ccccc1 ZINC000285492508 409465752 /nfs/dbraw/zinc/46/57/52/409465752.db2.gz AMVVQRPHEXNCQG-SMDDNHRTSA-N 0 1 315.333 1.493 20 5 DDBDMN C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)[C@H]1c1ccccc1 ZINC000285492508 409465757 /nfs/dbraw/zinc/46/57/57/409465757.db2.gz AMVVQRPHEXNCQG-SMDDNHRTSA-N 0 1 315.333 1.493 20 5 DDBDMN C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])n[n-]2)[C@H]1c1ccccc1 ZINC000285492508 409465759 /nfs/dbraw/zinc/46/57/59/409465759.db2.gz AMVVQRPHEXNCQG-SMDDNHRTSA-N 0 1 315.333 1.493 20 5 DDBDMN COc1cc(CN(C)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352426197 164119966 /nfs/dbraw/zinc/11/99/66/164119966.db2.gz RPVMLPWOTBGIRH-UHFFFAOYSA-N 0 1 309.366 1.367 20 5 DDBDMN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2nc[nH]c2c1 ZINC000354470853 164125981 /nfs/dbraw/zinc/12/59/81/164125981.db2.gz PDPXMURSXFPAPH-UHFFFAOYSA-N 0 1 313.273 1.272 20 5 DDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCN(C2CC2)CC1 ZINC000374827258 164173963 /nfs/dbraw/zinc/17/39/63/164173963.db2.gz HKVNDYGROYBMIK-UHFFFAOYSA-N 0 1 322.340 1.626 20 5 DDBDMN NC(=O)c1cccc(N2CC[C@@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000342347645 409586553 /nfs/dbraw/zinc/58/65/53/409586553.db2.gz KFULXJDLJAKTTN-LLVKDONJSA-N 0 1 302.334 1.144 20 5 DDBDMN CCN1CCN(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342490675 409673125 /nfs/dbraw/zinc/67/31/25/409673125.db2.gz OHISAYKIZLFJOR-CYBMUJFWSA-N 0 1 320.393 1.410 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000331850781 409790246 /nfs/dbraw/zinc/79/02/46/409790246.db2.gz CVQSWWRAGKBOHZ-GJZGRUSLSA-N 0 1 308.334 1.680 20 5 DDBDMN CC1(C)COC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313062413 409799213 /nfs/dbraw/zinc/79/92/13/409799213.db2.gz OUCZWDOOSSISDG-JTQLQIEISA-N 0 1 318.326 1.437 20 5 DDBDMN Cc1nn(C)cc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000346632476 410047042 /nfs/dbraw/zinc/04/70/42/410047042.db2.gz XLJGFUMDHZOANF-UHFFFAOYSA-N 0 1 314.305 1.443 20 5 DDBDMN COC(=O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000346695006 410090186 /nfs/dbraw/zinc/09/01/86/410090186.db2.gz XRTIGVQTGIDDNE-MFKMUULPSA-N 0 1 308.334 1.987 20 5 DDBDMN CCNC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000339324803 410094437 /nfs/dbraw/zinc/09/44/37/410094437.db2.gz CFICGTNCOBVBQG-CQSZACIVSA-N 0 1 309.366 1.854 20 5 DDBDMN CC[N@H+]1CC[C@@H]2OCCN(Cc3cc([O-])ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339393609 410155096 /nfs/dbraw/zinc/15/50/96/410155096.db2.gz KQKNBXFHDKXJQD-HOTGVXAUSA-N 0 1 321.377 1.595 20 5 DDBDMN Cc1ccn2cc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])nc2c1 ZINC000343217102 410246027 /nfs/dbraw/zinc/24/60/27/410246027.db2.gz LYPHRHVQSRGOGP-UHFFFAOYSA-N 0 1 300.278 1.204 20 5 DDBDMN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343281333 410305910 /nfs/dbraw/zinc/30/59/10/410305910.db2.gz NWQQCKCTLZRNBD-SWLSCSKDSA-N 0 1 316.317 1.787 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(CC2CC2)CC1 ZINC000298836309 410417265 /nfs/dbraw/zinc/41/72/65/410417265.db2.gz CUPPXHZQLOQFDY-UHFFFAOYSA-N 0 1 319.361 1.528 20 5 DDBDMN CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000301097635 410656680 /nfs/dbraw/zinc/65/66/80/410656680.db2.gz QDRJLFLVUUDYKZ-ZDUSSCGKSA-N 0 1 308.386 1.069 20 5 DDBDMN CC[N@H+]1CCCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301566730 410747604 /nfs/dbraw/zinc/74/76/04/410747604.db2.gz ZKGKPHCWPXXRSA-UHFFFAOYSA-N 0 1 317.349 1.776 20 5 DDBDMN Cc1ccnc(N2CCC(N3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301246526 410683623 /nfs/dbraw/zinc/68/36/23/410683623.db2.gz ATDQRLAEXBCXIA-ZDUSSCGKSA-N 0 1 320.393 1.988 20 5 DDBDMN COC(=O)[C@@](C)(O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000343888467 410782337 /nfs/dbraw/zinc/78/23/37/410782337.db2.gz XHMUSFURKHDQQD-HNNXBMFYSA-N 0 1 308.334 1.483 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000330577757 410795761 /nfs/dbraw/zinc/79/57/61/410795761.db2.gz HBNUTEZEANYGQL-QWHCGFSZSA-N 0 1 320.393 1.866 20 5 DDBDMN CCOC(=O)[C@H](CC)N(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CC1 ZINC000348060173 410828650 /nfs/dbraw/zinc/82/86/50/410828650.db2.gz RELOXMBVPJMPKG-JTQLQIEISA-N 0 1 324.337 1.573 20 5 DDBDMN CC(C)N(C)CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301921818 410831084 /nfs/dbraw/zinc/83/10/84/410831084.db2.gz DQRQDLFDNHJLDP-UHFFFAOYSA-N 0 1 321.424 1.812 20 5 DDBDMN CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000330602318 410818948 /nfs/dbraw/zinc/81/89/48/410818948.db2.gz FHKOUZBNQXMHOU-TZMCWYRMSA-N 0 1 323.393 1.577 20 5 DDBDMN Cc1cc(C)c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000356364999 410987493 /nfs/dbraw/zinc/98/74/93/410987493.db2.gz QUUKGRYHJRQKSU-UHFFFAOYSA-N 0 1 317.301 1.948 20 5 DDBDMN Cc1cccc(CC2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000373716963 418451907 /nfs/dbraw/zinc/45/19/07/418451907.db2.gz ZIPZWKABXIOLDL-HUUCEWRRSA-N 0 1 318.373 1.556 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000373737045 418454356 /nfs/dbraw/zinc/45/43/56/418454356.db2.gz FMRWXBWBEOBUHG-NWANDNLSSA-N 0 1 303.362 1.989 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCn3cc(C)nc3C2)c1[N+](=O)[O-] ZINC000374678505 418554807 /nfs/dbraw/zinc/55/48/07/418554807.db2.gz LEPNCLGWXYEGCW-UHFFFAOYSA-N 0 1 318.337 1.431 20 5 DDBDMN O=C(c1cccs1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000361388162 418641240 /nfs/dbraw/zinc/64/12/40/418641240.db2.gz CIBMKIFCIKVSKU-QWRGUYRKSA-N 0 1 308.359 1.835 20 5 DDBDMN COc1ccc(OCCN2CCOC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000371099097 418762028 /nfs/dbraw/zinc/76/20/28/418762028.db2.gz JQZHCGHNHAKMDL-GFCCVEGCSA-N 0 1 310.350 1.951 20 5 DDBDMN Cc1cccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000371280119 418774134 /nfs/dbraw/zinc/77/41/34/418774134.db2.gz NKZCDCCTXXITAV-JTQLQIEISA-N 0 1 300.318 1.914 20 5 DDBDMN Cn1ccc(N2CC[C@@H](NCc3csc([N+](=O)[O-])c3)C2)n1 ZINC000371713925 418810546 /nfs/dbraw/zinc/81/05/46/418810546.db2.gz GDZACXIKJYFAPZ-LLVKDONJSA-N 0 1 307.379 1.758 20 5 DDBDMN Cc1ccc(N2CCC(NC(=O)[C@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000364792179 418811385 /nfs/dbraw/zinc/81/13/85/418811385.db2.gz CRSKZCUNBBWHSF-STQMWFEESA-N 0 1 304.350 1.140 20 5 DDBDMN O=[N+]([O-])c1ccc(OC2CCN([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000361312027 299838810 /nfs/dbraw/zinc/83/88/10/299838810.db2.gz ZWRCKILCHANRTF-GJZGRUSLSA-N 0 1 308.334 1.198 20 5 DDBDMN O=C(NCc1ccc2c(c1)OCO2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427691291 228663946 /nfs/dbraw/zinc/66/39/46/228663946.db2.gz XEAYXKXVTQCYQI-UHFFFAOYSA-N 0 1 316.269 1.959 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N(CCO)C[C@@H]2C)n1 ZINC000418994793 420042262 /nfs/dbraw/zinc/04/22/62/420042262.db2.gz IEJFYMGDEXZMRF-OLZOCXBDSA-N 0 1 308.382 1.498 20 5 DDBDMN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1CCO ZINC000416296423 420311930 /nfs/dbraw/zinc/31/19/30/420311930.db2.gz NVKSLGUSTQTOLW-OLZOCXBDSA-N 0 1 321.377 1.051 20 5 DDBDMN NC(=O)c1cccc([N+](=O)[O-])c1NCCCCN1CCOCC1 ZINC000420584519 420322419 /nfs/dbraw/zinc/32/24/19/420322419.db2.gz KTEJSHQPJBYLPM-UHFFFAOYSA-N 0 1 322.365 1.218 20 5 DDBDMN O=C(N[C@@H]1CCN(CC(F)F)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000416354164 420341128 /nfs/dbraw/zinc/34/11/28/420341128.db2.gz ZWZOKOTWJQPEPL-SECBINFHSA-N 0 1 315.276 1.370 20 5 DDBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1CCO ZINC000302378942 230227081 /nfs/dbraw/zinc/22/70/81/230227081.db2.gz GFOQDYAOEUPNJG-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000439888945 420542035 /nfs/dbraw/zinc/54/20/35/420542035.db2.gz RFYPZCBUAKUBOA-MRVPVSSYSA-N 0 1 320.309 1.994 20 5 DDBDMN CC[C@H](C)N1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000450853381 420544973 /nfs/dbraw/zinc/54/49/73/420544973.db2.gz BNDBDPWMSBHFNT-NSHDSACASA-N 0 1 322.365 1.697 20 5 DDBDMN CO[C@](C)(CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000452787458 420662057 /nfs/dbraw/zinc/66/20/57/420662057.db2.gz ZNRLCIOJFXIYRY-CQSZACIVSA-N 0 1 304.306 1.610 20 5 DDBDMN CO[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1C ZINC000452822158 420668173 /nfs/dbraw/zinc/66/81/73/420668173.db2.gz DAWCJSJRQSYWEQ-VHSXEESVSA-N 0 1 310.354 1.938 20 5 DDBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](CO)[C@H](O)C2)o1 ZINC000459712818 420854867 /nfs/dbraw/zinc/85/48/67/420854867.db2.gz RTXHBDLSVLIVMA-IAQYHMDHSA-N 0 1 318.329 1.640 20 5 DDBDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496160172 421142973 /nfs/dbraw/zinc/14/29/73/421142973.db2.gz RUIRWSXFUDILIY-IVZWLZJFSA-N 0 1 302.327 1.450 20 5 DDBDMN CN1CCN(C)[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450334040 421184791 /nfs/dbraw/zinc/18/47/91/421184791.db2.gz HNSWZBZZPPIRDK-GFCCVEGCSA-N 0 1 315.377 1.801 20 5 DDBDMN COc1ccc(OCC[N@H+]2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000516777051 421566891 /nfs/dbraw/zinc/56/68/91/421566891.db2.gz JDNNKPDRFMONER-NSHDSACASA-N 0 1 324.333 1.921 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC[C@@H]2CCCO2)cc1 ZINC000564118689 421570347 /nfs/dbraw/zinc/57/03/47/421570347.db2.gz KKZRMVWOESQBSQ-LBPRGKRZSA-N 0 1 314.363 1.137 20 5 DDBDMN CO[C@@H]1C[C@H](C(=O)[O-])[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570286748 421635583 /nfs/dbraw/zinc/63/55/83/421635583.db2.gz NQCDOGGESDMZGI-CHWSQXEVSA-N 0 1 310.306 1.148 20 5 DDBDMN CO[C@@H]1C[C@H](C(=O)[O-])[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000570286748 421635586 /nfs/dbraw/zinc/63/55/86/421635586.db2.gz NQCDOGGESDMZGI-CHWSQXEVSA-N 0 1 310.306 1.148 20 5 DDBDMN C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000570400346 421643810 /nfs/dbraw/zinc/64/38/10/421643810.db2.gz UWZWVYIWIFJACS-LLVKDONJSA-N 0 1 322.365 1.341 20 5 DDBDMN O=C(NC[C@H](CO)Cc1ccco1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000532633276 421662372 /nfs/dbraw/zinc/66/23/72/421662372.db2.gz CZLRWPLILIFKNH-SNVBAGLBSA-N 0 1 320.301 1.474 20 5 DDBDMN C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000522060984 421814875 /nfs/dbraw/zinc/81/48/75/421814875.db2.gz SYJYNDZZNKJTNL-QWRGUYRKSA-N 0 1 323.349 1.184 20 5 DDBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573425655 421962270 /nfs/dbraw/zinc/96/22/70/421962270.db2.gz AKJYPWOOHRSIBX-UHFFFAOYSA-N 0 1 306.326 1.611 20 5 DDBDMN C[C@@H]1CCN(CC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000573742129 422009424 /nfs/dbraw/zinc/00/94/24/422009424.db2.gz UWVLAKBGDLPPAD-GFCCVEGCSA-N 0 1 319.361 1.658 20 5 DDBDMN NC(=O)c1cccc(N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000342121337 271306756 /nfs/dbraw/zinc/30/67/56/271306756.db2.gz CXNIXJIUAOQJJH-UHFFFAOYSA-N 0 1 304.350 1.368 20 5 DDBDMN C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000344414492 272019235 /nfs/dbraw/zinc/01/92/35/272019235.db2.gz AVDLWQIOGHIUDB-GWCFXTLKSA-N 0 1 320.349 1.132 20 5 DDBDMN Cc1cccc2nc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000345940234 272370873 /nfs/dbraw/zinc/37/08/73/272370873.db2.gz YFHHFZBDSZOTGT-UHFFFAOYSA-N 0 1 314.305 1.292 20 5 DDBDMN CSC[C@H](O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000187735234 274178233 /nfs/dbraw/zinc/17/82/33/274178233.db2.gz HSGWRFNPFPBZIV-GFCCVEGCSA-N 0 1 311.407 1.441 20 5 DDBDMN C[C@@H]1CN(C)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000408102230 274334083 /nfs/dbraw/zinc/33/40/83/274334083.db2.gz BYOHAAPZWDSVHM-SECBINFHSA-N 0 1 303.322 1.384 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332236286 280167152 /nfs/dbraw/zinc/16/71/52/280167152.db2.gz NTFCXHXDKMATNE-UFGOTCBOSA-N 0 1 306.318 1.533 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCOCC3)CC2)n1 ZINC000128443643 281012297 /nfs/dbraw/zinc/01/22/97/281012297.db2.gz BSIFTWVRTCPFAV-UHFFFAOYSA-N 0 1 306.366 1.599 20 5 DDBDMN CN1CC[C@@H]2OCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284576040 290169710 /nfs/dbraw/zinc/16/97/10/290169710.db2.gz OUVMIJWTABCKFZ-RYUDHWBXSA-N 0 1 312.757 1.553 20 5 DDBDMN C[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000280860294 297282427 /nfs/dbraw/zinc/28/24/27/297282427.db2.gz BCKBZUIVWUXOEG-NXEZZACHSA-N 0 1 305.334 1.655 20 5 DDBDMN COc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000354011361 298338409 /nfs/dbraw/zinc/33/84/09/298338409.db2.gz ZQSLJQRFUFYQMJ-NSHDSACASA-N 0 1 307.350 1.770 20 5 DDBDMN CC(C)c1nc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000357934240 299024676 /nfs/dbraw/zinc/02/46/76/299024676.db2.gz KOZCCSXWALYHIQ-SSDOTTSWSA-N 0 1 307.314 1.061 20 5 DDBDMN COc1ccc2c(c1)[C@](O)(CNC(=O)[C@H]1CC1[N+](=O)[O-])CCC2 ZINC000362616845 300106274 /nfs/dbraw/zinc/10/62/74/300106274.db2.gz NHSHGFJRXZRZKM-JGGQBBKZSA-N 0 1 320.345 1.001 20 5 DDBDMN O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367646417 300867363 /nfs/dbraw/zinc/86/73/63/300867363.db2.gz UWMHABLYBHXYQR-UHFFFAOYSA-N 0 1 316.317 1.763 20 5 DDBDMN Cc1cccc(C(=O)N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000368976310 301115392 /nfs/dbraw/zinc/11/53/92/301115392.db2.gz VKUPXPBBCQWQOT-ZDUSSCGKSA-N 0 1 321.377 1.432 20 5 DDBDMN O=C(NCCc1nc(-c2ccc(F)cc2)c[nH]1)[C@H]1CC1[N+](=O)[O-] ZINC000369689732 301213228 /nfs/dbraw/zinc/21/32/28/301213228.db2.gz LDOHDMZYBLHOEI-AAEUAGOBSA-N 0 1 318.308 1.540 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(CNC(=O)C2)C1 ZINC000370631125 301374480 /nfs/dbraw/zinc/37/44/80/301374480.db2.gz LJODJUCHDSAZEA-OAHLLOKOSA-N 0 1 305.334 1.315 20 5 DDBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3c2cnn3CCO)c1 ZINC000376519217 302089741 /nfs/dbraw/zinc/08/97/41/302089741.db2.gz IGIILVDMMJECQQ-HNNXBMFYSA-N 0 1 316.361 1.951 20 5 DDBDMN Cn1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc2cccnc21 ZINC000356179088 306841367 /nfs/dbraw/zinc/84/13/67/306841367.db2.gz ZBQBFXUUOVKAJN-UHFFFAOYSA-N 0 1 313.273 1.834 20 5 DDBDMN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000363340188 307026626 /nfs/dbraw/zinc/02/66/26/307026626.db2.gz KVHNXCMYFYPSEY-MRVWCRGKSA-N 0 1 323.393 1.149 20 5 DDBDMN Cc1cccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000364638887 307048966 /nfs/dbraw/zinc/04/89/66/307048966.db2.gz SKPUUWVPDNAHEV-ZFWWWQNUSA-N 0 1 305.378 1.939 20 5 DDBDMN NC(=O)c1ccc(CN2CCC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000367456781 307094557 /nfs/dbraw/zinc/09/45/57/307094557.db2.gz CUTNCKHFIMSVJN-HNNXBMFYSA-N 0 1 305.334 1.449 20 5 DDBDMN CC(C)N(C)C(=O)[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369683721 307126623 /nfs/dbraw/zinc/12/66/23/307126623.db2.gz OIJITKJLCSMRAM-GFCCVEGCSA-N 0 1 323.397 1.684 20 5 DDBDMN CCc1nnc(-c2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2)o1 ZINC000369817720 307128707 /nfs/dbraw/zinc/12/87/07/307128707.db2.gz PCKBMWIFVCHKPE-WDEREUQCSA-N 0 1 302.290 1.903 20 5 DDBDMN O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC1[N+](=O)[O-] ZINC000377610708 307274731 /nfs/dbraw/zinc/27/47/31/307274731.db2.gz FGGPGFBKTDKFHM-XRNSZHNASA-N 0 1 323.736 1.227 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000378006520 307281186 /nfs/dbraw/zinc/28/11/86/307281186.db2.gz WDRMGPOUWKMFAQ-GFCCVEGCSA-N 0 1 315.333 1.662 20 5 DDBDMN Cc1noc(C)c1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565268180 308026944 /nfs/dbraw/zinc/02/69/44/308026944.db2.gz KJFKVNVGAKBLTK-LBPRGKRZSA-N 0 1 321.333 1.729 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000576348588 308308481 /nfs/dbraw/zinc/30/84/81/308308481.db2.gz DGXIZJSWRYQGMY-NSHDSACASA-N 0 1 315.333 1.905 20 5 DDBDMN C[C@@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000576838257 308344000 /nfs/dbraw/zinc/34/40/00/308344000.db2.gz KTQFUSBKGDVAFZ-IUODEOHRSA-N 0 1 308.334 1.610 20 5 DDBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(CO)o3)CC2)n1 ZINC000581107963 308653979 /nfs/dbraw/zinc/65/39/79/308653979.db2.gz DNLFLXZGTCESRA-UHFFFAOYSA-N 0 1 306.322 1.714 20 5 DDBDMN CN1CCN(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000583690292 336951773 /nfs/dbraw/zinc/95/17/73/336951773.db2.gz LLJHFQRWOUTTLM-UHFFFAOYSA-N 0 1 319.409 1.528 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNCc1ccccn1 ZINC000583708801 337095077 /nfs/dbraw/zinc/09/50/77/337095077.db2.gz ZWUPMBULKUUVSF-ZDUSSCGKSA-N 0 1 303.318 1.519 20 5 DDBDMN COc1ccc(NC(=O)CCN2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000451190032 534065848 /nfs/dbraw/zinc/06/58/48/534065848.db2.gz GAGVCMGOYWDJDX-JTQLQIEISA-N 0 1 311.313 1.976 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000452391876 534317908 /nfs/dbraw/zinc/31/79/08/534317908.db2.gz QQDXVDVQXUWGKZ-ZDUSSCGKSA-N 0 1 321.377 1.480 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 ZINC000295746370 534886201 /nfs/dbraw/zinc/88/62/01/534886201.db2.gz NYNOIIGNMIHETO-BDAKNGLRSA-N 0 1 318.326 1.173 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000414037369 527997713 /nfs/dbraw/zinc/99/77/13/527997713.db2.gz ONMMTZUZKBEXBM-ZJUUUORDSA-N 0 1 310.354 1.674 20 5 DDBDMN Cc1cccc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])c1[N+](=O)[O-] ZINC000818939243 597455524 /nfs/dbraw/zinc/45/55/24/597455524.db2.gz FIYRRNUTMLVEFQ-LLVKDONJSA-N 0 1 322.317 1.609 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000826021293 601919741 /nfs/dbraw/zinc/91/97/41/601919741.db2.gz PLXYXTSLZBTFEA-BONVTDFDSA-N 0 1 321.333 1.718 20 5 DDBDMN Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897066 602316554 /nfs/dbraw/zinc/31/65/54/602316554.db2.gz KSTHHPRSDNAUTP-LLVKDONJSA-N 0 1 323.349 1.734 20 5 DDBDMN Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897066 602316556 /nfs/dbraw/zinc/31/65/56/602316556.db2.gz KSTHHPRSDNAUTP-LLVKDONJSA-N 0 1 323.349 1.734 20 5 DDBDMN C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739183665 602790144 /nfs/dbraw/zinc/79/01/44/602790144.db2.gz HKYXALOPLNDUIT-BXUZGUMPSA-N 0 1 323.349 1.952 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829511276 603493180 /nfs/dbraw/zinc/49/31/80/603493180.db2.gz XMSZIXQYQFTTNW-LBPRGKRZSA-N 0 1 309.322 1.788 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829511276 603493184 /nfs/dbraw/zinc/49/31/84/603493184.db2.gz XMSZIXQYQFTTNW-LBPRGKRZSA-N 0 1 309.322 1.788 20 5 DDBDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000827889937 603795597 /nfs/dbraw/zinc/79/55/97/603795597.db2.gz MNRNUYWMZDTWRJ-GFCCVEGCSA-N 0 1 309.322 1.658 20 5 DDBDMN COCC[N@H+]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833724129 605178868 /nfs/dbraw/zinc/17/88/68/605178868.db2.gz HDTKPVRJXFDQJI-UHFFFAOYSA-N 0 1 323.349 1.452 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834181362 605787347 /nfs/dbraw/zinc/78/73/47/605787347.db2.gz IFYNKUBXCOXUMN-DGCLKSJQSA-N 0 1 309.322 1.360 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834181362 605787350 /nfs/dbraw/zinc/78/73/50/605787350.db2.gz IFYNKUBXCOXUMN-DGCLKSJQSA-N 0 1 309.322 1.360 20 5 DDBDMN O=C([O-])NC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834222403 605817413 /nfs/dbraw/zinc/81/74/13/605817413.db2.gz XVHNKRPZKIPLBM-CHWSQXEVSA-N 0 1 309.322 1.360 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](OCCO)C2)cc1 ZINC000776585049 698122144 /nfs/dbraw/zinc/12/21/44/698122144.db2.gz RQPJJGMQMHEHPO-LSDHHAIUSA-N 0 1 310.350 1.102 20 5 DDBDMN CC(C)(CO)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776591826 698123676 /nfs/dbraw/zinc/12/36/76/698123676.db2.gz IAHCXFMWTPCVMG-HNNXBMFYSA-N 0 1 323.393 1.017 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCSc2cn[nH]n2)cc1 ZINC000783906213 698891297 /nfs/dbraw/zinc/89/12/97/698891297.db2.gz FKMDAVAJHFSUDV-UHFFFAOYSA-N 0 1 314.348 1.279 20 5 DDBDMN C[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000815597750 701901677 /nfs/dbraw/zinc/90/16/77/701901677.db2.gz FFSWTGAZEOKPCY-BDAKNGLRSA-N 0 1 301.368 1.261 20 5 DDBDMN CC(C)c1n[nH]c(COC(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC000795223845 699853051 /nfs/dbraw/zinc/85/30/51/699853051.db2.gz ZEZPKUKUFJOBIE-UHFFFAOYSA-N 0 1 305.294 1.776 20 5 DDBDMN CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])cc2N)n[nH]1 ZINC000795223845 699853054 /nfs/dbraw/zinc/85/30/54/699853054.db2.gz ZEZPKUKUFJOBIE-UHFFFAOYSA-N 0 1 305.294 1.776 20 5 DDBDMN CC(C)(CO)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801522911 700316739 /nfs/dbraw/zinc/31/67/39/700316739.db2.gz FFKREIXGVPUYAS-UHFFFAOYSA-N 0 1 311.357 1.622 20 5 DDBDMN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764283909 700965959 /nfs/dbraw/zinc/96/59/59/700965959.db2.gz XTOOTFCOSSGFES-JTQLQIEISA-N 0 1 302.294 1.224 20 5 DDBDMN Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000764283912 700966128 /nfs/dbraw/zinc/96/61/28/700966128.db2.gz XTOOTFCOSSGFES-SNVBAGLBSA-N 0 1 302.294 1.224 20 5 DDBDMN COC(=O)C[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000770672652 701289331 /nfs/dbraw/zinc/28/93/31/701289331.db2.gz BVIWDRBXBMGSMH-HNNXBMFYSA-N 0 1 308.334 1.797 20 5 DDBDMN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000839495400 701717203 /nfs/dbraw/zinc/71/72/03/701717203.db2.gz UHMVIRIDRVELRH-UPJWGTAASA-N 0 1 318.308 1.430 20 5 DDBDMN COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839674621 701777608 /nfs/dbraw/zinc/77/76/08/701777608.db2.gz FOTJBZLSJNCIIG-VXGBXAGGSA-N 0 1 322.317 1.056 20 5 DDBDMN CC(C)(CO)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839709652 701791814 /nfs/dbraw/zinc/79/18/14/701791814.db2.gz NDOWQSFUJZEWEC-MGPQQGTHSA-N 0 1 306.362 1.570 20 5 DDBDMN C[C@H]1CN(c2ccccc2F)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839735085 701802528 /nfs/dbraw/zinc/80/25/28/701802528.db2.gz VRFHRLJGDAAMQP-MISXGVKJSA-N 0 1 307.325 1.528 20 5 DDBDMN C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597751 701902203 /nfs/dbraw/zinc/90/22/03/701902203.db2.gz FFSWTGAZEOKPCY-DTWKUNHWSA-N 0 1 301.368 1.261 20 5 DDBDMN COc1ccc(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)cc1 ZINC000840306719 702064391 /nfs/dbraw/zinc/06/43/91/702064391.db2.gz FINXXDIDIVQETH-ZIAGYGMSSA-N 0 1 320.345 1.482 20 5 DDBDMN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672090 702195982 /nfs/dbraw/zinc/19/59/82/702195982.db2.gz LOCNSMPVXJJRRZ-IRUJWGPZSA-N 0 1 304.302 1.173 20 5 DDBDMN Cc1cc(-n2cccn2)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841177414 702378169 /nfs/dbraw/zinc/37/81/69/702378169.db2.gz JMIXCGIAELBBGQ-ZIAGYGMSSA-N 0 1 301.302 1.889 20 5 DDBDMN C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000842047200 702663596 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DDBDMN CC1(C)C[C@](C)(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)O1 ZINC000848150108 703516484 /nfs/dbraw/zinc/51/64/84/703516484.db2.gz IBNWPQKFESLMBZ-AWEZNQCLSA-N 0 1 308.290 1.514 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848577141 703564370 /nfs/dbraw/zinc/56/43/70/703564370.db2.gz JBZCQRHOQZCESP-CQSZACIVSA-N 0 1 305.334 1.976 20 5 DDBDMN CCc1nc([C@H](C)OC(=O)Cn2cc([N+](=O)[O-])nc2C)n[nH]1 ZINC000849718036 703671438 /nfs/dbraw/zinc/67/14/38/703671438.db2.gz HYVYRFNIYLGZPG-ZETCQYMHSA-N 0 1 308.298 1.085 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1cnn(C)c1 ZINC000850438083 703731138 /nfs/dbraw/zinc/73/11/38/703731138.db2.gz SMQKRVHHXJMUOR-QMTHXVAHSA-N 0 1 320.349 1.721 20 5 DDBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOC(F)F)C2)nc1 ZINC000851843642 703868669 /nfs/dbraw/zinc/86/86/69/703868669.db2.gz JYYLMWVDCQTHCH-SECBINFHSA-N 0 1 302.281 1.715 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccc(F)cn1 ZINC000818967791 704037270 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O=[N+]([O-])c1cccc(CN(C[C@H](O)C2(O)CCC2)C2CC2)c1 ZINC000929853341 713707141 /nfs/dbraw/zinc/70/71/41/713707141.db2.gz LYDONWWDJYYHMX-HNNXBMFYSA-N 0 1 306.362 1.835 20 5 DDBDMN CCOCCOCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000929987474 713729621 /nfs/dbraw/zinc/72/96/21/713729621.db2.gz JYJLLHMCJHRKKR-CYBMUJFWSA-N 0 1 324.381 1.529 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCO[C@H]1CCOC1 ZINC000922938625 714192529 /nfs/dbraw/zinc/19/25/29/714192529.db2.gz GYQOVGFKTYEARE-AWEZNQCLSA-N 0 1 310.350 1.889 20 5 DDBDMN Cn1cc(CN2CCC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000933088977 714514525 /nfs/dbraw/zinc/51/45/25/714514525.db2.gz NXFJITWUOQYZOJ-ZDUSSCGKSA-N 0 1 308.382 1.967 20 5 DDBDMN CN1CC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000925424516 714852203 /nfs/dbraw/zinc/85/22/03/714852203.db2.gz MHRBUVQUWDHIDP-LLVKDONJSA-N 0 1 306.366 1.833 20 5 DDBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCN1C ZINC000925423557 714852386 /nfs/dbraw/zinc/85/23/86/714852386.db2.gz QWTPSTMBCSDNHI-CYBMUJFWSA-N 0 1 306.366 1.483 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000935724087 715122373 /nfs/dbraw/zinc/12/23/73/715122373.db2.gz HDDBLMDLJJRMPZ-LBPRGKRZSA-N 0 1 323.397 1.336 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2ccc(F)cc2)C1 ZINC000950052318 720468774 /nfs/dbraw/zinc/46/87/74/720468774.db2.gz HCXFCTLTACFAKX-HUUCEWRRSA-N 0 1 321.352 1.524 20 5 DDBDMN COC1(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])CCC1 ZINC001126317390 739046764 /nfs/dbraw/zinc/04/67/64/739046764.db2.gz UUNOAPHJWBCZED-UHFFFAOYSA-N 0 1 321.377 1.760 20 5 DDBDMN CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH]cn1 ZINC001105576114 742123809 /nfs/dbraw/zinc/12/38/09/742123809.db2.gz MVSBMKPEAQNPOK-UHFFFAOYSA-N 0 1 317.349 1.455 20 5 DDBDMN O=C(NC1CN(CCCc2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292507 744025683 /nfs/dbraw/zinc/02/56/83/744025683.db2.gz MCNZHUVZVDPFRF-HUUCEWRRSA-N 0 1 321.352 1.224 20 5 DDBDMN CC(C)OC(=O)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 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COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000591655778 355355106 /nfs/dbraw/zinc/35/51/06/355355106.db2.gz ZVKCIUUYDQUQQT-OAHLLOKOSA-N 0 1 308.334 1.969 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000591655778 355355108 /nfs/dbraw/zinc/35/51/08/355355108.db2.gz ZVKCIUUYDQUQQT-OAHLLOKOSA-N 0 1 308.334 1.969 20 5 DDBDMN CCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829299 355705838 /nfs/dbraw/zinc/70/58/38/355705838.db2.gz MYYJBHCGJULGBH-NSHDSACASA-N 0 1 307.350 1.857 20 5 DDBDMN C[N@H+]1CCC[C@@]2(CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)C1 ZINC000592972753 355758623 /nfs/dbraw/zinc/75/86/23/355758623.db2.gz VYQIPFDBKHSNDE-OAHLLOKOSA-N 0 1 320.349 1.610 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(CO)CCOCC2)c1 ZINC000593011294 355769144 /nfs/dbraw/zinc/76/91/44/355769144.db2.gz OFUODJNDZVAZDF-UHFFFAOYSA-N 0 1 324.333 1.013 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000593188884 355820811 /nfs/dbraw/zinc/82/08/11/355820811.db2.gz RPHPUJJZCQSUDQ-OUAUKWLOSA-N 0 1 309.370 1.039 20 5 DDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(CC2CC2)CC1 ZINC000593415736 355879025 /nfs/dbraw/zinc/87/90/25/355879025.db2.gz VAPBAIRCKUDZSH-UHFFFAOYSA-N 0 1 321.352 1.831 20 5 DDBDMN N[C@H](c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1)[C@H]1CCCO1 ZINC000594651970 356275778 /nfs/dbraw/zinc/27/57/78/356275778.db2.gz GYXWVKJXKJFJKB-CHWSQXEVSA-N 0 1 305.294 1.060 20 5 DDBDMN CC(C)(C)OCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594846595 356335154 /nfs/dbraw/zinc/33/51/54/356335154.db2.gz AOEBIKHVOUDKSJ-UHFFFAOYSA-N 0 1 317.367 1.473 20 5 DDBDMN COc1cc(CNCCO[C@H]2CC2(F)F)c([N+](=O)[O-])cc1O ZINC000594970075 356365627 /nfs/dbraw/zinc/36/56/27/356365627.db2.gz CJQXXMOKKOCQFX-LBPRGKRZSA-N 0 1 318.276 1.823 20 5 DDBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)[C@H]1O ZINC000595747688 356633328 /nfs/dbraw/zinc/63/33/28/356633328.db2.gz CCBQRMISJONFKC-HBYGRHMLSA-N 0 1 322.361 1.910 20 5 DDBDMN C[C@@H](O)[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595766300 356644356 /nfs/dbraw/zinc/64/43/56/356644356.db2.gz OFTDNABOBQIQBA-BXUZGUMPSA-N 0 1 319.361 1.329 20 5 DDBDMN CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595882432 356690179 /nfs/dbraw/zinc/69/01/79/356690179.db2.gz KESGBSKBDVKPFZ-JTQLQIEISA-N 0 1 312.322 1.777 20 5 DDBDMN COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000595884663 356691149 /nfs/dbraw/zinc/69/11/49/356691149.db2.gz JROOEESBYXBDAE-IAQYHMDHSA-N 0 1 322.317 1.136 20 5 DDBDMN NC(=O)c1cc(N[C@@H]2CCc3[nH]cnc3C2)ccc1[N+](=O)[O-] ZINC000596239198 356828886 /nfs/dbraw/zinc/82/88/86/356828886.db2.gz ZFOVDTBEGOXWNG-SECBINFHSA-N 0 1 301.306 1.386 20 5 DDBDMN COCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000596459634 356887456 /nfs/dbraw/zinc/88/74/56/356887456.db2.gz PLUJTEASPRLKOV-UHFFFAOYSA-N 0 1 306.282 1.181 20 5 DDBDMN COCc1nnc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000596459634 356887459 /nfs/dbraw/zinc/88/74/59/356887459.db2.gz PLUJTEASPRLKOV-UHFFFAOYSA-N 0 1 306.282 1.181 20 5 DDBDMN Cc1c(CNC(=O)[C@H]2CCCc3n[nH]nc32)cccc1[N+](=O)[O-] ZINC000597555494 357226175 /nfs/dbraw/zinc/22/61/75/357226175.db2.gz OGXZQMWFGSDBAX-NSHDSACASA-N 0 1 315.333 1.758 20 5 DDBDMN Cc1nc(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000597686908 357285600 /nfs/dbraw/zinc/28/56/00/357285600.db2.gz AEDPGNRAYXSFNH-UHFFFAOYSA-N 0 1 303.322 1.615 20 5 DDBDMN COC(=O)[C@H](C)N(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CCC1 ZINC000276837855 213125316 /nfs/dbraw/zinc/12/53/16/213125316.db2.gz XBHCOHKBFYUCRQ-QMMMGPOBSA-N 0 1 310.310 1.183 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCOCCO)C1CCC1 ZINC000597855761 357359417 /nfs/dbraw/zinc/35/94/17/357359417.db2.gz ARNGMDXICGKBMG-UHFFFAOYSA-N 0 1 324.333 1.304 20 5 DDBDMN COc1cc(C(=O)N(C)Cc2cnc[nH]2)c([N+](=O)[O-])cc1OC ZINC000597862009 357363165 /nfs/dbraw/zinc/36/31/65/357363165.db2.gz FNTWPMYHUIQDPB-UHFFFAOYSA-N 0 1 320.305 1.607 20 5 DDBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1(CO)CC1 ZINC000598039741 357438277 /nfs/dbraw/zinc/43/82/77/357438277.db2.gz NSPICNBTLFMSOT-MRVPVSSYSA-N 0 1 304.306 1.362 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598223058 357498557 /nfs/dbraw/zinc/49/85/57/357498557.db2.gz FKVLVLKQIAOGLK-LKFCYVNXSA-N 0 1 308.338 1.550 20 5 DDBDMN COC(=O)c1ccnc(NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000598627541 357660821 /nfs/dbraw/zinc/66/08/21/357660821.db2.gz HLNFBEMOOMPGIF-UHFFFAOYSA-N 0 1 318.293 1.384 20 5 DDBDMN C[C@@H]1CCC[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599289631 357876926 /nfs/dbraw/zinc/87/69/26/357876926.db2.gz ZVLSSKBQAYRHBE-NXEZZACHSA-N 0 1 316.383 1.575 20 5 DDBDMN Cc1nc(C)c(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])o1 ZINC000599319273 357892116 /nfs/dbraw/zinc/89/21/16/357892116.db2.gz DHWXNSHEJIXHIB-UHFFFAOYSA-N 0 1 312.307 1.073 20 5 DDBDMN C[C@]1(CO)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599627651 357997703 /nfs/dbraw/zinc/99/77/03/357997703.db2.gz YVUCZMYPUBSAAI-GASCZTMLSA-N 0 1 310.350 1.113 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(CCCF)CC1 ZINC000600077157 358117071 /nfs/dbraw/zinc/11/70/71/358117071.db2.gz WLAPVTXLVBYNIB-UHFFFAOYSA-N 0 1 311.313 1.418 20 5 DDBDMN COC(=O)[C@]1(OC)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600192455 358152059 /nfs/dbraw/zinc/15/20/59/358152059.db2.gz OQFZEHPSRBVXHJ-HNNXBMFYSA-N 0 1 308.334 1.667 20 5 DDBDMN CC(C)(C)c1ccc(C(=O)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602557478 359044407 /nfs/dbraw/zinc/04/44/07/359044407.db2.gz OQLCFQCNVNTTMJ-LBPRGKRZSA-N 0 1 321.377 1.611 20 5 DDBDMN CCCCNC(=O)[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602453997 358987732 /nfs/dbraw/zinc/98/77/32/358987732.db2.gz LTYGUHTXYCDPPR-LBPRGKRZSA-N 0 1 323.397 1.457 20 5 DDBDMN CC[C@](C)(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602689154 359127018 /nfs/dbraw/zinc/12/70/18/359127018.db2.gz WALHXDZXGSAJNW-OAHLLOKOSA-N 0 1 308.382 1.927 20 5 DDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000602867411 359252217 /nfs/dbraw/zinc/25/22/17/359252217.db2.gz SXOYXOHYYHGNOS-GFCCVEGCSA-N 0 1 316.365 1.592 20 5 DDBDMN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1CCc3ncnn31)CC2 ZINC000602802391 359202209 /nfs/dbraw/zinc/20/22/09/359202209.db2.gz QRAFTHPQYFBUMD-NSHDSACASA-N 0 1 300.322 1.127 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000618455656 363637335 /nfs/dbraw/zinc/63/73/35/363637335.db2.gz COYVSBXIRZPIJP-CYBMUJFWSA-N 0 1 321.377 1.744 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000603141799 359431518 /nfs/dbraw/zinc/43/15/18/359431518.db2.gz IOQUVGXUTCUYRF-JTQLQIEISA-N 0 1 309.370 1.429 20 5 DDBDMN CNS(=O)(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000187172248 200071504 /nfs/dbraw/zinc/07/15/04/200071504.db2.gz QMLSGTTUXUVVMG-JTQLQIEISA-N 0 1 301.368 1.103 20 5 DDBDMN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000188682628 200286643 /nfs/dbraw/zinc/28/66/43/200286643.db2.gz XESPLXDOICZCAF-GFCCVEGCSA-N 0 1 321.377 1.512 20 5 DDBDMN Cc1[nH]nc(C(=O)Nc2cnn(-c3ccncc3)c2)c1[N+](=O)[O-] ZINC000608915370 360252825 /nfs/dbraw/zinc/25/28/25/360252825.db2.gz CJEJDVDQVQWHMC-UHFFFAOYSA-N 0 1 313.277 1.459 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000609269895 360285724 /nfs/dbraw/zinc/28/57/24/360285724.db2.gz ZDPHISSCBIJCJB-AWEZNQCLSA-N 0 1 321.377 1.744 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000610276251 360406273 /nfs/dbraw/zinc/40/62/73/360406273.db2.gz FZMSZUCHGMHVFV-GDBMZVCRSA-N 0 1 321.377 1.639 20 5 DDBDMN Cc1cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000610354104 360420532 /nfs/dbraw/zinc/42/05/32/360420532.db2.gz VAAOWGQBWUPKMQ-UHFFFAOYSA-N 0 1 303.322 1.668 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](CCO)C1 ZINC000610927773 360573497 /nfs/dbraw/zinc/57/34/97/360573497.db2.gz WWCKMIJJZZOTGQ-SNVBAGLBSA-N 0 1 318.333 1.706 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CCN(C3CC3)CC1)OCCO2 ZINC000611253830 360680633 /nfs/dbraw/zinc/68/06/33/360680633.db2.gz IBMNTNRTHSTOHJ-UHFFFAOYSA-N 0 1 319.361 1.646 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCOCC3)CC2)cn1 ZINC000565906567 304103031 /nfs/dbraw/zinc/10/30/31/304103031.db2.gz ZBJNYGXKASNBRX-CYBMUJFWSA-N 0 1 306.366 1.681 20 5 DDBDMN CC(=O)c1cc(N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566297854 304141105 /nfs/dbraw/zinc/14/11/05/304141105.db2.gz RLYDZRAGWAVESD-NSHDSACASA-N 0 1 321.333 1.250 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccncc2)c1[N+](=O)[O-] ZINC000264602154 204022770 /nfs/dbraw/zinc/02/27/70/204022770.db2.gz KDFWPVPXTTVHPP-UHFFFAOYSA-N 0 1 303.322 1.938 20 5 DDBDMN COCCn1cc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000266214559 205188585 /nfs/dbraw/zinc/18/85/85/205188585.db2.gz PNZBYIJRVKDLEL-UHFFFAOYSA-N 0 1 320.349 1.736 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000105820980 194135653 /nfs/dbraw/zinc/13/56/53/194135653.db2.gz PYQOCSXXNYEPFO-CHWSQXEVSA-N 0 1 323.393 1.490 20 5 DDBDMN CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC000120076959 195092739 /nfs/dbraw/zinc/09/27/39/195092739.db2.gz CVGVTQFLRNLYJE-NSHDSACASA-N 0 1 322.300 1.447 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000270155138 208216039 /nfs/dbraw/zinc/21/60/39/208216039.db2.gz XSDOXIVBRJWSAD-ZJUUUORDSA-N 0 1 310.354 1.674 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568066300 304266051 /nfs/dbraw/zinc/26/60/51/304266051.db2.gz WNXWIKRLCQWHBE-RYUDHWBXSA-N 0 1 324.333 1.131 20 5 DDBDMN CC(C)Oc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccn1 ZINC000120409669 195161088 /nfs/dbraw/zinc/16/10/88/195161088.db2.gz KTJSEPMDDDUMAU-UHFFFAOYSA-N 0 1 305.294 1.430 20 5 DDBDMN COc1ccc(O[C@@H](C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000121664935 195326589 /nfs/dbraw/zinc/32/65/89/195326589.db2.gz UVDXDXCGPIJVBX-VIFPVBQESA-N 0 1 320.305 1.524 20 5 DDBDMN 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O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)nc1 ZINC000436423807 420326159 /nfs/dbraw/zinc/32/61/59/420326159.db2.gz WLYBQTCYHQIIOM-UHFFFAOYSA-N 0 1 310.317 2.430 20 5 DDBDMN CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000436963205 420386493 /nfs/dbraw/zinc/38/64/93/420386493.db2.gz YPWDUDMOVMLYOO-GHMZBOCLSA-N 0 1 307.350 1.855 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000439515070 420520743 /nfs/dbraw/zinc/52/07/43/420520743.db2.gz UUHNNYHPKFUURM-UHFFFAOYSA-N 0 1 301.262 1.731 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000492356000 420532726 /nfs/dbraw/zinc/53/27/26/420532726.db2.gz CCWLGTDHQYEVLF-HYXAFXHYSA-N 0 1 319.296 1.533 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](OC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000452912396 420678898 /nfs/dbraw/zinc/67/88/98/420678898.db2.gz ZZRSMFMAQADBOS-GXSJLCMTSA-N 0 1 310.354 1.767 20 5 DDBDMN Cc1cc([C@@H]2CCCN2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)on1 ZINC000441241729 420642225 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DDBDMN COC(=O)c1nc[nH]c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000549698812 421505351 /nfs/dbraw/zinc/50/53/51/421505351.db2.gz HTZIXBPOTPNFHP-UHFFFAOYSA-N 0 1 304.262 1.286 20 5 DDBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCC(=O)C1 ZINC000516473702 421546929 /nfs/dbraw/zinc/54/69/29/421546929.db2.gz VRACIVKJSKMUDF-VIFPVBQESA-N 0 1 315.289 1.688 20 5 DDBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000519828952 421734009 /nfs/dbraw/zinc/73/40/09/421734009.db2.gz ZSALJTATPZQURD-QWRGUYRKSA-N 0 1 323.349 1.814 20 5 DDBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CC1 ZINC000572313319 421776062 /nfs/dbraw/zinc/77/60/62/421776062.db2.gz KYOSWOWNWSYEAH-HNNXBMFYSA-N 0 1 319.361 1.717 20 5 DDBDMN O=C([O-])[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573732572 422006997 /nfs/dbraw/zinc/00/69/97/422006997.db2.gz SJCBKALEPUOLQL-YPMHNXCESA-N 0 1 324.333 1.274 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000583997226 422237487 /nfs/dbraw/zinc/23/74/87/422237487.db2.gz ZBUXCMCQNDNZFX-ZJUUUORDSA-N 0 1 308.338 1.891 20 5 DDBDMN CSCC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000342294590 271369234 /nfs/dbraw/zinc/36/92/34/271369234.db2.gz QJKPMNPPCFZNRR-CYBMUJFWSA-N 0 1 311.407 1.894 20 5 DDBDMN Cc1ccc2nc(NC(=O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000344474962 272032730 /nfs/dbraw/zinc/03/27/30/272032730.db2.gz BMQRHWLVBIRWJF-UHFFFAOYSA-N 0 1 300.278 1.615 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000344874956 272134190 /nfs/dbraw/zinc/13/41/90/272134190.db2.gz LJSLHZGKVKYRHA-ZETCQYMHSA-N 0 1 307.285 1.905 20 5 DDBDMN CN(C)C1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000134993272 273792537 /nfs/dbraw/zinc/79/25/37/273792537.db2.gz XQPCNUZXAKEPPH-UHFFFAOYSA-N 0 1 315.333 1.167 20 5 DDBDMN CCN1CCN([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000287378991 276201942 /nfs/dbraw/zinc/20/19/42/276201942.db2.gz OMBLFIVBCUZQAM-ZDUSSCGKSA-N 0 1 322.384 1.950 20 5 DDBDMN CNc1nc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000455985336 277304143 /nfs/dbraw/zinc/30/41/43/277304143.db2.gz VESVYIWMPTXHSX-SECBINFHSA-N 0 1 316.321 1.562 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000408014897 280187191 /nfs/dbraw/zinc/18/71/91/280187191.db2.gz WBZYMRHGTNXDDG-UHFFFAOYSA-N 0 1 322.243 1.156 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCc3cccc(F)c3C2)c1[N+](=O)[O-] ZINC000271106208 280189052 /nfs/dbraw/zinc/18/90/52/280189052.db2.gz ZZIUCIACKANAOQ-UHFFFAOYSA-N 0 1 304.281 1.964 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC000272515182 290156377 /nfs/dbraw/zinc/15/63/77/290156377.db2.gz YDDFSEMUUHELSZ-ZWNOBZJWSA-N 0 1 305.334 1.467 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284896879 295254488 /nfs/dbraw/zinc/25/44/88/295254488.db2.gz HHRAINCVHLNRLZ-CABCVRRESA-N 0 1 307.350 1.513 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](CO)C[C@H]2C)c1[N+](=O)[O-] ZINC000354237793 298377109 /nfs/dbraw/zinc/37/71/09/298377109.db2.gz GTDUOZSIUNHCEZ-ZJUUUORDSA-N 0 1 310.354 1.674 20 5 DDBDMN CCNC(=O)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000354319349 298402622 /nfs/dbraw/zinc/40/26/22/298402622.db2.gz ZXQSXTDCJUQRQX-GFCCVEGCSA-N 0 1 309.322 1.191 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C(=O)OC)C(C)(C)C2)c1[N+](=O)[O-] ZINC000364254746 300363420 /nfs/dbraw/zinc/36/34/20/300363420.db2.gz GSSFWZGSEYPXCR-QMMMGPOBSA-N 0 1 324.337 1.152 20 5 DDBDMN Cn1ccnc1[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC000368736571 301082708 /nfs/dbraw/zinc/08/27/08/301082708.db2.gz UHMVIRIDRVELRH-YNEHKIRRSA-N 0 1 318.308 1.430 20 5 DDBDMN O=C1CCCCN1[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002407 301256055 /nfs/dbraw/zinc/25/60/55/301256055.db2.gz OBBIOAJAFDWGJA-CYBMUJFWSA-N 0 1 321.381 1.268 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370002078 301256160 /nfs/dbraw/zinc/25/61/60/301256160.db2.gz MNOPGTLXBIGEPM-GFCCVEGCSA-N 0 1 302.338 1.461 20 5 DDBDMN Cc1cc([C@@H]2CCCN(Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC000370044644 301264389 /nfs/dbraw/zinc/26/43/89/301264389.db2.gz FYPOOOUBARLADY-LLVKDONJSA-N 0 1 304.354 1.739 20 5 DDBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000370525360 301357095 /nfs/dbraw/zinc/35/70/95/301357095.db2.gz FJDNTQXYOGQUIU-HNNXBMFYSA-N 0 1 324.381 1.740 20 5 DDBDMN CC(C)N1CCO[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000370534660 301358933 /nfs/dbraw/zinc/35/89/33/301358933.db2.gz GJOWKVSBXJJYHL-OAHLLOKOSA-N 0 1 321.377 1.662 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000376146349 302040077 /nfs/dbraw/zinc/04/00/77/302040077.db2.gz WUPVLNVQAZCINS-SNVBAGLBSA-N 0 1 304.310 1.581 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000378203176 302292875 /nfs/dbraw/zinc/29/28/75/302292875.db2.gz RQXVKIVJJWPSNM-SNVBAGLBSA-N 0 1 300.318 1.914 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000378361900 302317377 /nfs/dbraw/zinc/31/73/77/302317377.db2.gz PVOBSWPALYLHMW-UMVBOHGHSA-N 0 1 324.764 1.511 20 5 DDBDMN Cc1nnc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000531839504 303260551 /nfs/dbraw/zinc/26/05/51/303260551.db2.gz CKOXPWVUOFBTQR-ZETCQYMHSA-N 0 1 312.307 1.326 20 5 DDBDMN O=C1NCCC[C@@H]1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362374466 307019411 /nfs/dbraw/zinc/01/94/11/307019411.db2.gz BKPCYTJHWNQHKG-HNNXBMFYSA-N 0 1 319.361 1.717 20 5 DDBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000367589496 307098958 /nfs/dbraw/zinc/09/89/58/307098958.db2.gz NWZMKJPRFAUDHD-WXHSDQCUSA-N 0 1 309.753 1.700 20 5 DDBDMN CCCCNC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693453 307127032 /nfs/dbraw/zinc/12/70/32/307127032.db2.gz SAXBXEOTHBOTNZ-LBPRGKRZSA-N 0 1 323.397 1.733 20 5 DDBDMN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000377127782 307263656 /nfs/dbraw/zinc/26/36/56/307263656.db2.gz HVKILUHZTYLDNT-JLLWLGSASA-N 0 1 319.365 1.504 20 5 DDBDMN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000497094197 307381319 /nfs/dbraw/zinc/38/13/19/307381319.db2.gz XETVBXXXUXHXDV-RKDXNWHRSA-N 0 1 301.343 1.071 20 5 DDBDMN C[C@@H](C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000566851634 308065084 /nfs/dbraw/zinc/06/50/84/308065084.db2.gz ONDCISLTMZMNEC-ZYHUDNBSSA-N 0 1 315.333 1.833 20 5 DDBDMN CO[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000569868467 308152081 /nfs/dbraw/zinc/15/20/81/308152081.db2.gz DXPCQFNTZLNJOC-AAEUAGOBSA-N 0 1 324.333 1.538 20 5 DDBDMN C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000573206204 308234048 /nfs/dbraw/zinc/23/40/48/308234048.db2.gz ZVHRBRHPBPSVJZ-WDEREUQCSA-N 0 1 321.333 1.576 20 5 DDBDMN C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000573206204 308234049 /nfs/dbraw/zinc/23/40/49/308234049.db2.gz ZVHRBRHPBPSVJZ-WDEREUQCSA-N 0 1 321.333 1.576 20 5 DDBDMN CC[N@H+]1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC000577495627 308392362 /nfs/dbraw/zinc/39/23/62/308392362.db2.gz ACYHWEFQHRCYBN-SNVBAGLBSA-N 0 1 308.338 1.527 20 5 DDBDMN COc1cc(CN(C)[C@@H](CO)COC(C)C)ccc1[N+](=O)[O-] ZINC000433162283 533790270 /nfs/dbraw/zinc/79/02/70/533790270.db2.gz UEBRZSPUVKBCRH-ZDUSSCGKSA-N 0 1 312.366 1.821 20 5 DDBDMN Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000298156607 533934886 /nfs/dbraw/zinc/93/48/86/533934886.db2.gz PGDMFRSEKBFBIG-GFCCVEGCSA-N 0 1 320.349 1.052 20 5 DDBDMN CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000330781023 526645714 /nfs/dbraw/zinc/64/57/14/526645714.db2.gz OAFDCRIJRSUBHT-NSHDSACASA-N 0 1 321.333 1.241 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC(F)(F)C(F)(F)C2)c1[N+](=O)[O-] ZINC000457924479 528544939 /nfs/dbraw/zinc/54/49/39/528544939.db2.gz CIBOHYWJLBWCKM-UHFFFAOYSA-N 0 1 324.234 1.997 20 5 DDBDMN CCOC(=O)CC1(NCc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC000434612216 528669021 /nfs/dbraw/zinc/66/90/21/528669021.db2.gz PLTNVCUQNSCWMM-UHFFFAOYSA-N 0 1 310.354 1.684 20 5 DDBDMN CC1(C)COC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451805003 529133737 /nfs/dbraw/zinc/13/37/37/529133737.db2.gz AHLRDQBICPILRW-AWEZNQCLSA-N 0 1 319.361 1.499 20 5 DDBDMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000821532887 598067658 /nfs/dbraw/zinc/06/76/58/598067658.db2.gz VYMZGKASTQGOSU-JTQLQIEISA-N 0 1 308.290 1.301 20 5 DDBDMN O=C([O-])CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262195751 600716854 /nfs/dbraw/zinc/71/68/54/600716854.db2.gz GQHRMDJHFWLKCN-UHFFFAOYSA-N 0 1 321.333 1.217 20 5 DDBDMN C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C(=O)[O-] ZINC000828464977 601533484 /nfs/dbraw/zinc/53/34/84/601533484.db2.gz WXVZDYRIXVHPFA-SCZZXKLOSA-N 0 1 305.290 1.889 20 5 DDBDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000827890864 603795604 /nfs/dbraw/zinc/79/56/04/603795604.db2.gz VWUVJLSZJLRUQR-LBPRGKRZSA-N 0 1 309.322 1.658 20 5 DDBDMN COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829362845 603811458 /nfs/dbraw/zinc/81/14/58/603811458.db2.gz PGSUZQHUNIWEQK-NSHDSACASA-N 0 1 309.322 1.788 20 5 DDBDMN COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000829362845 603811459 /nfs/dbraw/zinc/81/14/59/603811459.db2.gz PGSUZQHUNIWEQK-NSHDSACASA-N 0 1 309.322 1.788 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)cc1[N+](=O)[O-] ZINC000833920371 605325085 /nfs/dbraw/zinc/32/50/85/605325085.db2.gz IDNOMMIYGVEAAZ-SDDRHHMPSA-N 0 1 323.353 1.425 20 5 DDBDMN Cc1nn(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)cc1[N+](=O)[O-] ZINC000833920371 605325092 /nfs/dbraw/zinc/32/50/92/605325092.db2.gz IDNOMMIYGVEAAZ-SDDRHHMPSA-N 0 1 323.353 1.425 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833920726 605490509 /nfs/dbraw/zinc/49/05/09/605490509.db2.gz NJRNEBXOXQOHSQ-KWQFWETISA-N 0 1 311.342 1.344 20 5 DDBDMN Cc1nn(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833920726 605490510 /nfs/dbraw/zinc/49/05/10/605490510.db2.gz NJRNEBXOXQOHSQ-KWQFWETISA-N 0 1 311.342 1.344 20 5 DDBDMN Cc1nn(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833920724 605490533 /nfs/dbraw/zinc/49/05/33/605490533.db2.gz NJRNEBXOXQOHSQ-KCJUWKMLSA-N 0 1 311.342 1.344 20 5 DDBDMN Cc1nn(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833920724 605490534 /nfs/dbraw/zinc/49/05/34/605490534.db2.gz NJRNEBXOXQOHSQ-KCJUWKMLSA-N 0 1 311.342 1.344 20 5 DDBDMN CC1(C)C(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1(C)C ZINC000973135303 695428995 /nfs/dbraw/zinc/42/89/95/695428995.db2.gz QFPTVJYPVJWBCZ-GWOFURMSSA-N 0 1 323.393 1.097 20 5 DDBDMN COc1cc(CCNC(=O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000032232018 696123340 /nfs/dbraw/zinc/12/33/40/696123340.db2.gz MTNSHJNIWVUGTP-UHFFFAOYSA-N 0 1 322.239 1.833 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3ccncc3)CC2)nc1 ZINC000101558121 696607903 /nfs/dbraw/zinc/60/79/03/696607903.db2.gz YYWZIPSKLWKWHW-UHFFFAOYSA-N 0 1 313.361 1.750 20 5 DDBDMN C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000119707427 696684229 /nfs/dbraw/zinc/68/42/29/696684229.db2.gz PSMMABGOBDFIGU-MRVPVSSYSA-N 0 1 319.408 1.417 20 5 DDBDMN C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000119707427 696684231 /nfs/dbraw/zinc/68/42/31/696684231.db2.gz PSMMABGOBDFIGU-MRVPVSSYSA-N 0 1 319.408 1.417 20 5 DDBDMN C[C@@H](CN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000773999901 697832395 /nfs/dbraw/zinc/83/23/95/697832395.db2.gz XNOBWOSHOVKBHX-ZETCQYMHSA-N 0 1 308.273 1.123 20 5 DDBDMN CC(C)(C)[C@H](C[NH3+])[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261601020 698428292 /nfs/dbraw/zinc/42/82/92/698428292.db2.gz ZYVWEBGNOIBYGJ-JTQLQIEISA-N 0 1 319.358 1.386 20 5 DDBDMN O=C(NCc1nc(C2CC2)no1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780434446 698518378 /nfs/dbraw/zinc/51/83/78/698518378.db2.gz OFLXLASYFSXIBM-UHFFFAOYSA-N 0 1 304.262 1.491 20 5 DDBDMN CCOC(CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)OCC ZINC000787552592 699218803 /nfs/dbraw/zinc/21/88/03/699218803.db2.gz YRGZSTZAJUTRGS-UHFFFAOYSA-N 0 1 312.322 1.819 20 5 DDBDMN C[C@](O)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769497935 701247664 /nfs/dbraw/zinc/24/76/64/701247664.db2.gz FJSOEGKOWJOLKH-INIZCTEOSA-N 0 1 316.313 1.938 20 5 DDBDMN COc1nc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC000770519737 701281632 /nfs/dbraw/zinc/28/16/32/701281632.db2.gz GUWQKXMYSCNJAO-UHFFFAOYSA-N 0 1 323.236 1.595 20 5 DDBDMN COCCN1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000771200807 701313011 /nfs/dbraw/zinc/31/30/11/701313011.db2.gz UAFKABBJIQVMAR-JTQLQIEISA-N 0 1 313.329 1.875 20 5 DDBDMN CCOC(=O)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839593146 701748310 /nfs/dbraw/zinc/74/83/10/701748310.db2.gz GBHDZCYOLTVRHD-BFHYXJOUSA-N 0 1 320.345 1.190 20 5 DDBDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697650 701788818 /nfs/dbraw/zinc/78/88/18/701788818.db2.gz YJUZIMFZEITVJD-ITOJFRIGSA-N 0 1 310.375 1.609 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000839700100 701789747 /nfs/dbraw/zinc/78/97/47/701789747.db2.gz JLLAGYKSPVANQH-YUSALJHKSA-N 0 1 316.317 1.503 20 5 DDBDMN O=C(NC[C@@H](O)c1cc2ccccc2s1)[C@@H]1CC1[N+](=O)[O-] ZINC000839702390 701790588 /nfs/dbraw/zinc/79/05/88/701790588.db2.gz OSZGROUTXVCELD-GMTAPVOTSA-N 0 1 306.343 1.716 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000839713084 701793359 /nfs/dbraw/zinc/79/33/59/701793359.db2.gz SXLBNVJJMZDNCN-IRCOFANPSA-N 0 1 310.375 1.828 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000839715874 701794127 /nfs/dbraw/zinc/79/41/27/701794127.db2.gz VWWCMGLWZWGSKF-ZIAGYGMSSA-N 0 1 301.302 1.869 20 5 DDBDMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839755182 701811031 /nfs/dbraw/zinc/81/10/31/701811031.db2.gz FQMIPGXIXSQFCS-IACUBPJLSA-N 0 1 319.361 1.330 20 5 DDBDMN Cc1ccc(C2=NO[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1C ZINC000839757883 701812510 /nfs/dbraw/zinc/81/25/10/701812510.db2.gz GDXUKQVPLCTWQL-UMVBOHGHSA-N 0 1 317.345 1.578 20 5 DDBDMN CC[C@@](CNC(=O)[C@@H]1CC1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000839938428 701871677 /nfs/dbraw/zinc/87/16/77/701871677.db2.gz BTPYOMMHTNSYLN-IOASZLSFSA-N 0 1 320.345 1.289 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000839974623 701885577 /nfs/dbraw/zinc/88/55/77/701885577.db2.gz RJMCVEPYBOIKIT-QMMMGPOBSA-N 0 1 306.278 1.705 20 5 DDBDMN COc1cc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)ccc1[N+](=O)[O-] ZINC000840218564 702032476 /nfs/dbraw/zinc/03/24/76/702032476.db2.gz BQQBUCDAZFUTQV-ZETCQYMHSA-N 0 1 306.278 1.948 20 5 DDBDMN C[C@@](CO)(NCCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879271648 706636042 /nfs/dbraw/zinc/63/60/42/706636042.db2.gz HROVDVPJGQBEOM-INIZCTEOSA-N 0 1 321.377 1.404 20 5 DDBDMN O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840330285 702072206 /nfs/dbraw/zinc/07/22/06/702072206.db2.gz UWFGBOLWPUNITC-NQBHXWOUSA-N 0 1 324.308 1.987 20 5 DDBDMN O=C(Nc1ccccc1N1CCC(CO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840396673 702096290 /nfs/dbraw/zinc/09/62/90/702096290.db2.gz AAYMMKZFGUBRHQ-IUODEOHRSA-N 0 1 319.361 1.499 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](CO)CC2)c1 ZINC000816666761 702138437 /nfs/dbraw/zinc/13/84/37/702138437.db2.gz VJGBYJHTMGWJAC-GFCCVEGCSA-N 0 1 322.361 1.976 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000840671839 702194696 /nfs/dbraw/zinc/19/46/96/702194696.db2.gz CQXXVTGSJMYGDS-IQOUGMIPSA-N 0 1 318.329 1.561 20 5 DDBDMN COc1ccc(-c2nc(COC(=O)[C@@H]3CC3[N+](=O)[O-])no2)cc1 ZINC000840671983 702195871 /nfs/dbraw/zinc/19/58/71/702195871.db2.gz BROSVUHJFNXRGF-GHMZBOCLSA-N 0 1 319.273 1.454 20 5 DDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2CCCC[C@H]21 ZINC000840672707 702196616 /nfs/dbraw/zinc/19/66/16/702196616.db2.gz OTJOGIJHWKMKDT-FDYHWXHSSA-N 0 1 310.350 1.376 20 5 DDBDMN Cc1cccc(CCCOCCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000841004015 702307222 /nfs/dbraw/zinc/30/72/22/702307222.db2.gz JYCQXWYVRWKULC-ZIAGYGMSSA-N 0 1 308.334 1.548 20 5 DDBDMN Cc1nn(C)c(N(C)CCN2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866257180 706659121 /nfs/dbraw/zinc/65/91/21/706659121.db2.gz XPPXONNHOPFAIX-UHFFFAOYSA-N 0 1 323.397 1.185 20 5 DDBDMN C[N@H+](CCC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000818467759 702650500 /nfs/dbraw/zinc/65/05/00/702650500.db2.gz LWWCKULFOZTNLS-UHFFFAOYSA-N 0 1 306.278 1.551 20 5 DDBDMN C[N@@H+](CCC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000818467759 702650503 /nfs/dbraw/zinc/65/05/03/702650503.db2.gz LWWCKULFOZTNLS-UHFFFAOYSA-N 0 1 306.278 1.551 20 5 DDBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000842046640 702663503 /nfs/dbraw/zinc/66/35/03/702663503.db2.gz FTNOBBLOPYTYCA-VHSXEESVSA-N 0 1 321.337 1.022 20 5 DDBDMN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843702231 702914860 /nfs/dbraw/zinc/91/48/60/702914860.db2.gz LQJIKZBNOOLTIA-JXJLXUTGSA-N 0 1 308.309 1.779 20 5 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O=C(NC1(CF)CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456044913 421093932 /nfs/dbraw/zinc/09/39/32/421093932.db2.gz GXNNOAFIUBVLAZ-UHFFFAOYSA-N 0 1 322.296 1.720 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000456340118 421143167 /nfs/dbraw/zinc/14/31/67/421143167.db2.gz VOPMNDHLRFBVLB-GYSYKLTISA-N 0 1 320.345 1.924 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000490295327 421191908 /nfs/dbraw/zinc/19/19/08/421191908.db2.gz BRQCPOPSCUCPQD-CYBMUJFWSA-N 0 1 306.366 1.589 20 5 DDBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000496874752 421329911 /nfs/dbraw/zinc/32/99/11/421329911.db2.gz XIQGKOUKWLDZNS-GHMZBOCLSA-N 0 1 315.370 1.415 20 5 DDBDMN Nc1nccc(C(=O)Nc2nc(C3CCC3)n[nH]2)c1[N+](=O)[O-] ZINC000515071122 421478419 /nfs/dbraw/zinc/47/84/19/421478419.db2.gz QLLHSOLTHCJIRT-UHFFFAOYSA-N 0 1 303.282 1.210 20 5 DDBDMN CC(C)(C(=O)NCCCc1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000563333913 421485258 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COCCNC(=O)C1(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000581022064 421885945 /nfs/dbraw/zinc/88/59/45/421885945.db2.gz JWYONKGTBSCANI-ZDUSSCGKSA-N 0 1 319.361 1.467 20 5 DDBDMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000578195872 422519170 /nfs/dbraw/zinc/51/91/70/422519170.db2.gz OZPVIHHSEGKYSR-CMPLNLGQSA-N 0 1 320.349 1.609 20 5 DDBDMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000578900601 422671422 /nfs/dbraw/zinc/67/14/22/422671422.db2.gz SVNBVPSSGZFZDR-WFASDCNBSA-N 0 1 324.333 1.131 20 5 DDBDMN Cn1c(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc2ccccc21 ZINC000179954183 263363940 /nfs/dbraw/zinc/36/39/40/263363940.db2.gz NFHKHTTZHXNNGM-UHFFFAOYSA-N 0 1 300.278 1.135 20 5 DDBDMN CCCN1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000296226594 273614295 /nfs/dbraw/zinc/61/42/95/273614295.db2.gz DRCSHIQBPVDVBO-UHFFFAOYSA-N 0 1 321.377 1.842 20 5 DDBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000275837682 274271382 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1.655 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362821282 300150638 /nfs/dbraw/zinc/15/06/38/300150638.db2.gz WYRSGUUALKMERR-UHFFFAOYSA-N 0 1 311.248 1.192 20 5 DDBDMN Cn1cc(C[C@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)cn1 ZINC000363129518 300216739 /nfs/dbraw/zinc/21/67/39/300216739.db2.gz IBEJEERRPAGKSD-LLVKDONJSA-N 0 1 304.354 1.126 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000363460891 300271234 /nfs/dbraw/zinc/27/12/34/300271234.db2.gz HULKPVODBYVONG-FRRDWIJNSA-N 0 1 318.329 1.787 20 5 DDBDMN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364097563 300344044 /nfs/dbraw/zinc/34/40/44/300344044.db2.gz MKCDIDQZXXNXEP-NWANDNLSSA-N 0 1 303.362 1.684 20 5 DDBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000375991072 302020109 /nfs/dbraw/zinc/02/01/09/302020109.db2.gz FSJWJYVMAXNMOL-NEPJUHHUSA-N 0 1 315.333 1.518 20 5 DDBDMN CC[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])OCCc2ccccc21 ZINC000378063551 302271970 /nfs/dbraw/zinc/27/19/70/302271970.db2.gz WQRKXHLFNCFNDT-IVMMDQJWSA-N 0 1 304.346 1.646 20 5 DDBDMN Cc1cc(N2CC[C@H](O)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000396825623 302350015 /nfs/dbraw/zinc/35/00/15/302350015.db2.gz BOZBDUUJFOXXOP-BZNIZROVSA-N 0 1 317.345 1.631 20 5 DDBDMN C[C@H](CN1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000544040113 303468312 /nfs/dbraw/zinc/46/83/12/303468312.db2.gz IOLAUOWVOUMBSQ-GFCCVEGCSA-N 0 1 307.350 1.179 20 5 DDBDMN C[C@H](NCCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000358097850 306929126 /nfs/dbraw/zinc/92/91/26/306929126.db2.gz OEAKHHKJJHJYPE-NSHDSACASA-N 0 1 313.379 1.281 20 5 DDBDMN Cc1nnc(-c2cc(F)ccc2NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])o1 ZINC000366315324 307070535 /nfs/dbraw/zinc/07/05/35/307070535.db2.gz SWNXIWSLOHRXRS-GXSJLCMTSA-N 0 1 306.253 1.788 20 5 DDBDMN COc1cc(N2CCC[N@@H+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000377837793 307277111 /nfs/dbraw/zinc/27/71/11/307277111.db2.gz RCISAPJGUQYAHV-UHFFFAOYSA-N 0 1 322.409 1.677 20 5 DDBDMN CC(C)(C)OC(=O)N1CCC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000496120971 307326748 /nfs/dbraw/zinc/32/67/48/307326748.db2.gz HSPCTIPEAUFIML-GMTAPVOTSA-N 0 1 314.338 1.594 20 5 DDBDMN CC(C)(N)c1nocc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000563414640 307969199 /nfs/dbraw/zinc/96/91/99/307969199.db2.gz XGXWLXTTWLAOIN-UHFFFAOYSA-N 0 1 304.306 1.707 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000564803662 308006513 /nfs/dbraw/zinc/00/65/13/308006513.db2.gz SLVJOIHBWARPGC-CHWSQXEVSA-N 0 1 324.333 1.667 20 5 DDBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCO1 ZINC000295848472 533978322 /nfs/dbraw/zinc/97/83/22/533978322.db2.gz BUQUVXZLYLVNBI-HUBLWGQQSA-N 0 1 321.377 1.929 20 5 DDBDMN CSCC[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154702294 525577029 /nfs/dbraw/zinc/57/70/29/525577029.db2.gz TWKOJHBUFCUGOT-MRVPVSSYSA-N 0 1 324.362 1.315 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)N(C)[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000433757215 527998467 /nfs/dbraw/zinc/99/84/67/527998467.db2.gz IRFIDUWCZQBPRU-LLVKDONJSA-N 0 1 321.381 1.608 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC000433757215 527998471 /nfs/dbraw/zinc/99/84/71/527998471.db2.gz IRFIDUWCZQBPRU-LLVKDONJSA-N 0 1 321.381 1.608 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](CO)[C@H]2C)c1[N+](=O)[O-] ZINC000414024063 528543907 /nfs/dbraw/zinc/54/39/07/528543907.db2.gz CWLMECFPDSUFPX-NXEZZACHSA-N 0 1 310.354 1.503 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000412447523 528544006 /nfs/dbraw/zinc/54/40/06/528544006.db2.gz QQPNCQVZGXDXMX-GFCCVEGCSA-N 0 1 322.365 1.912 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC000425066042 528546658 /nfs/dbraw/zinc/54/66/58/528546658.db2.gz NADYDLVJGBNOMG-QMMMGPOBSA-N 0 1 319.325 1.018 20 5 DDBDMN C[N@H+](CCC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769755955 597001289 /nfs/dbraw/zinc/00/12/89/597001289.db2.gz NKMHPPBERUTCHB-UHFFFAOYSA-N 0 1 315.713 1.593 20 5 DDBDMN C[N@@H+](CCC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000769755955 597001291 /nfs/dbraw/zinc/00/12/91/597001291.db2.gz NKMHPPBERUTCHB-UHFFFAOYSA-N 0 1 315.713 1.593 20 5 DDBDMN O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000823647257 599453007 /nfs/dbraw/zinc/45/30/07/599453007.db2.gz IYSVHLOQZCFSKZ-UHFFFAOYSA-N 0 1 314.305 1.700 20 5 DDBDMN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000829743821 601727222 /nfs/dbraw/zinc/72/72/22/601727222.db2.gz CKYAWPMGMVSCJA-NOZJJQNGSA-N 0 1 321.333 1.363 20 5 DDBDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000828023769 601929852 /nfs/dbraw/zinc/92/98/52/601929852.db2.gz AVXYGLNIYSHYIZ-HNNXBMFYSA-N 0 1 321.333 1.720 20 5 DDBDMN CC[N@@H+]1CCO[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829786156 602317356 /nfs/dbraw/zinc/31/73/56/602317356.db2.gz JEXRPPBTBYEBSQ-LBPRGKRZSA-N 0 1 323.349 1.734 20 5 DDBDMN CC[N@H+]1CCO[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000829786156 602317360 /nfs/dbraw/zinc/31/73/60/602317360.db2.gz JEXRPPBTBYEBSQ-LBPRGKRZSA-N 0 1 323.349 1.734 20 5 DDBDMN O=C([O-])[C@H](O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000833770306 604984156 /nfs/dbraw/zinc/98/41/56/604984156.db2.gz CPSPWLFMMKHMOT-CYBMUJFWSA-N 0 1 312.297 1.391 20 5 DDBDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000833834383 605898167 /nfs/dbraw/zinc/89/81/67/605898167.db2.gz NVYAPIYGHJPPPC-SUNKGSAMSA-N 0 1 323.349 1.606 20 5 DDBDMN CC1(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC=CC1 ZINC000979752165 696638429 /nfs/dbraw/zinc/63/84/29/696638429.db2.gz DFMSEOUUVMPGCQ-FDYHWXHSSA-N 0 1 321.377 1.019 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CC=C(Cl)Cl)CC1 ZINC000981138684 697016052 /nfs/dbraw/zinc/01/60/52/697016052.db2.gz YEEBNGZWAUGDAW-NXEZZACHSA-N 0 1 322.192 1.505 20 5 DDBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000772732516 697669948 /nfs/dbraw/zinc/66/99/48/697669948.db2.gz UDRNAMYSZWQITK-LBPRGKRZSA-N 0 1 307.306 1.041 20 5 DDBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCCF ZINC000800530906 700231081 /nfs/dbraw/zinc/23/10/81/700231081.db2.gz YHMSXBMJEHBVOH-QMMMGPOBSA-N 0 1 303.721 1.812 20 5 DDBDMN O=C1CCc2cc([N+](=O)[O-])c(N3CCc4cn[nH]c4C3)cc2N1 ZINC000750566732 700232476 /nfs/dbraw/zinc/23/24/76/700232476.db2.gz LGLOHVNKRBGUDV-UHFFFAOYSA-N 0 1 313.317 1.765 20 5 DDBDMN COCCO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961840 698666544 /nfs/dbraw/zinc/66/65/44/698666544.db2.gz JQDUYENKQWAOEK-HUUCEWRRSA-N 0 1 310.350 1.366 20 5 DDBDMN CCc1cc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])n[nH]1 ZINC000732789937 699570450 /nfs/dbraw/zinc/57/04/50/699570450.db2.gz CKLUDGSLOTVJTQ-UHFFFAOYSA-N 0 1 304.306 1.819 20 5 DDBDMN CC(C)(CO)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000735831968 699705055 /nfs/dbraw/zinc/70/50/55/699705055.db2.gz BGBBZNLKXZZPQV-UHFFFAOYSA-N 0 1 319.365 1.135 20 5 DDBDMN Cc1nc(COC(=O)CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000795330492 699859283 /nfs/dbraw/zinc/85/92/83/699859283.db2.gz DCTILKCCEPXXHJ-UHFFFAOYSA-N 0 1 306.278 1.534 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C ZINC000801934917 700357220 /nfs/dbraw/zinc/35/72/20/700357220.db2.gz SSQPQBGYBXLIFK-NXEZZACHSA-N 0 1 324.356 1.871 20 5 DDBDMN C[C@@](O)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000769497936 701247528 /nfs/dbraw/zinc/24/75/28/701247528.db2.gz FJSOEGKOWJOLKH-MRXNPFEDSA-N 0 1 316.313 1.938 20 5 DDBDMN COC(C)(C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000867729121 701717501 /nfs/dbraw/zinc/71/75/01/701717501.db2.gz NJKNODFPHBOJCA-UHFFFAOYSA-N 0 1 320.342 1.827 20 5 DDBDMN CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839568944 701740424 /nfs/dbraw/zinc/74/04/24/701740424.db2.gz TZLVGOCUUUEGBE-OASPWFOLSA-N 0 1 305.334 1.819 20 5 DDBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839574771 701741439 /nfs/dbraw/zinc/74/14/39/701741439.db2.gz OVJSYZVEGHKTSI-UMSGYPCISA-N 0 1 311.382 1.195 20 5 DDBDMN CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839689559 701785079 /nfs/dbraw/zinc/78/50/79/701785079.db2.gz PVPCVXNDFVWBDB-DGCLKSJQSA-N 0 1 318.333 1.382 20 5 DDBDMN COc1ccc(OC(F)F)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839700847 701789376 /nfs/dbraw/zinc/78/93/76/701789376.db2.gz MIHLSQDVYBMBGQ-NXEZZACHSA-N 0 1 316.260 1.578 20 5 DDBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1N1CCOCC1 ZINC000839722907 701797651 /nfs/dbraw/zinc/79/76/51/701797651.db2.gz MDBWHJIIKDIRPV-TZMCWYRMSA-N 0 1 305.334 1.435 20 5 DDBDMN O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839759554 701812861 /nfs/dbraw/zinc/81/28/61/701812861.db2.gz OPEPRGOKZDYZJS-JHJVBQTASA-N 0 1 318.333 1.074 20 5 DDBDMN CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840276470 702052699 /nfs/dbraw/zinc/05/26/99/702052699.db2.gz YQZDWFWOHIZTCT-LDYMZIIASA-N 0 1 311.725 1.646 20 5 DDBDMN COC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(Cl)c1F ZINC000840439883 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DDBDMN CN(Cc1cnc[nH]1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597862387 357362931 /nfs/dbraw/zinc/36/29/31/357362931.db2.gz ISEVABRPHGKVEA-UHFFFAOYSA-N 0 1 304.306 1.745 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2nnc(C)o2)c1[N+](=O)[O-] ZINC000598096717 357460326 /nfs/dbraw/zinc/46/03/26/357460326.db2.gz LQNGCFSTWHTCPF-UHFFFAOYSA-N 0 1 308.298 1.234 20 5 DDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1=O ZINC000598115062 357466874 /nfs/dbraw/zinc/46/68/74/357466874.db2.gz ZCGVFOLNIHYHCM-RKDXNWHRSA-N 0 1 316.317 1.768 20 5 DDBDMN O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000598460573 357591284 /nfs/dbraw/zinc/59/12/84/357591284.db2.gz ZQGHKWDMMMBKAS-MVWJERBFSA-N 0 1 302.265 1.525 20 5 DDBDMN CC1CCC(O)(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000598560713 357633127 /nfs/dbraw/zinc/63/31/27/357633127.db2.gz STYHRDCPBHEJCJ-UHFFFAOYSA-N 0 1 308.334 1.971 20 5 DDBDMN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598746059 357714425 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COc1cccc2c1OCC[C@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000371229507 418769759 /nfs/dbraw/zinc/76/97/59/418769759.db2.gz LGTPHQFLPYDQBW-SECBINFHSA-N 0 1 318.289 1.580 20 5 DDBDMN CCc1cc(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000372241513 418847343 /nfs/dbraw/zinc/84/73/43/418847343.db2.gz OLNRSMGLCHJNAK-LLVKDONJSA-N 0 1 318.337 1.554 20 5 DDBDMN C[C@@H]1C[C@@H](CO)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936974 419370725 /nfs/dbraw/zinc/37/07/25/419370725.db2.gz JFWLARRQKOJEGQ-CHWSQXEVSA-N 0 1 321.377 1.508 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C)CCN1C ZINC000421771475 419721881 /nfs/dbraw/zinc/72/18/81/419721881.db2.gz WYWOSGIIOWRLGR-ZDUSSCGKSA-N 0 1 320.393 1.187 20 5 DDBDMN Cc1nc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000428387959 419860995 /nfs/dbraw/zinc/86/09/95/419860995.db2.gz ZLLOVBGUNQCHRC-JTQLQIEISA-N 0 1 303.326 1.103 20 5 DDBDMN Cc1cc(OCC(=O)N2CCN(C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000432249305 229090098 /nfs/dbraw/zinc/09/00/98/229090098.db2.gz CUTUUKFJVVFKQQ-OLZOCXBDSA-N 0 1 321.377 1.833 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1CCO ZINC000428633419 419908272 /nfs/dbraw/zinc/90/82/72/419908272.db2.gz VTFSHQXXKWMUOV-VIFPVBQESA-N 0 1 304.306 1.458 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2n[nH]nc2C1 ZINC000429283791 419994994 /nfs/dbraw/zinc/99/49/94/419994994.db2.gz ALUAKXOCDNODBL-UHFFFAOYSA-N 0 1 316.321 1.018 20 5 DDBDMN C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000420600820 420327714 /nfs/dbraw/zinc/32/77/14/420327714.db2.gz MTBCDJAUEDAGPE-NXEZZACHSA-N 0 1 304.350 1.731 20 5 DDBDMN CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000436963207 420387031 /nfs/dbraw/zinc/38/70/31/420387031.db2.gz YPWDUDMOVMLYOO-QWRGUYRKSA-N 0 1 307.350 1.855 20 5 DDBDMN CC1(C)CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN1 ZINC000417762446 420471041 /nfs/dbraw/zinc/47/10/41/420471041.db2.gz IRPIFOCTMLISDD-UHFFFAOYSA-N 0 1 306.366 1.531 20 5 DDBDMN COc1cccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450789075 420532835 /nfs/dbraw/zinc/53/28/35/420532835.db2.gz IGHOOIOVHOHXKD-TXEJJXNPSA-N 0 1 307.350 1.879 20 5 DDBDMN CCOc1cccc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450797330 420533424 /nfs/dbraw/zinc/53/34/24/420533424.db2.gz SDIHZRPFLLOIFG-BETUJISGSA-N 0 1 323.393 1.885 20 5 DDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)N(C)C ZINC000451923319 420616908 /nfs/dbraw/zinc/61/69/08/420616908.db2.gz BNQFNDPBNNRHIN-JTQLQIEISA-N 0 1 315.395 1.386 20 5 DDBDMN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000493206289 420787255 /nfs/dbraw/zinc/78/72/55/420787255.db2.gz XHEYENCQRFAXJR-DDRUTMOTSA-N 0 1 301.346 1.961 20 5 DDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000493328807 420820710 /nfs/dbraw/zinc/82/07/10/420820710.db2.gz VVPIKSATFQMCPD-RYBZSIHZSA-N 0 1 313.317 1.742 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000456541671 421180804 /nfs/dbraw/zinc/18/08/04/421180804.db2.gz DHPSODIAXCAYEC-ZDUSSCGKSA-N 0 1 320.393 1.949 20 5 DDBDMN COCc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000450534059 421207476 /nfs/dbraw/zinc/20/74/76/421207476.db2.gz ZYQLLOCQZCIPDW-NSHDSACASA-N 0 1 318.337 1.986 20 5 DDBDMN COc1ccc(CC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000561582986 421331040 /nfs/dbraw/zinc/33/10/40/421331040.db2.gz GEAVLZGLVOEZEW-TXEJJXNPSA-N 0 1 321.377 1.697 20 5 DDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCCC[C@@H]1C ZINC000518219673 421646051 /nfs/dbraw/zinc/64/60/51/421646051.db2.gz KWOKYFZKZOMHLP-NWDGAFQWSA-N 0 1 308.382 1.926 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000571465174 421718708 /nfs/dbraw/zinc/71/87/08/421718708.db2.gz OEEBZYIRPPFLEE-UHFFFAOYSA-N 0 1 304.306 1.858 20 5 DDBDMN Cc1cncc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000534069246 421684957 /nfs/dbraw/zinc/68/49/57/421684957.db2.gz CNRKTTJOOGITMM-UHFFFAOYSA-N 0 1 308.319 1.172 20 5 DDBDMN O=[N+]([O-])c1cc2ccccc2nc1NCCN1CC[C@@H](O)C1 ZINC000599175979 422404523 /nfs/dbraw/zinc/40/45/23/422404523.db2.gz MBHXNIJWPBNIQC-GFCCVEGCSA-N 0 1 302.334 1.622 20 5 DDBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000578137453 422505615 /nfs/dbraw/zinc/50/56/15/422505615.db2.gz JGHPBUMQSRSXCF-ZDUSSCGKSA-N 0 1 316.317 1.303 20 5 DDBDMN CCOc1cccc(N2CCN([C@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000184126101 273709173 /nfs/dbraw/zinc/70/91/73/273709173.db2.gz LBNBZPOFEBRKNR-CYBMUJFWSA-N 0 1 323.393 1.886 20 5 DDBDMN COCC(C)(C)N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000425280457 277481676 /nfs/dbraw/zinc/48/16/76/277481676.db2.gz NPBOIZUJKJHDMV-UHFFFAOYSA-N 0 1 308.382 1.845 20 5 DDBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CC1 ZINC000296679991 279498846 /nfs/dbraw/zinc/49/88/46/279498846.db2.gz IBSHEZVWIQPDEI-UWVGGRQHSA-N 0 1 320.349 1.622 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@H]2C1 ZINC000273495334 290230688 /nfs/dbraw/zinc/23/06/88/290230688.db2.gz PEIGWLTVNLDZTO-GWCFXTLKSA-N 0 1 305.334 1.467 20 5 DDBDMN CCc1nnc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[nH]1 ZINC000362913082 300177222 /nfs/dbraw/zinc/17/72/22/300177222.db2.gz KTVGDICOLJBPJT-UHFFFAOYSA-N 0 1 311.248 1.735 20 5 DDBDMN CCc1n[nH]c(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000362913082 300177224 /nfs/dbraw/zinc/17/72/24/300177224.db2.gz KTVGDICOLJBPJT-UHFFFAOYSA-N 0 1 311.248 1.735 20 5 DDBDMN Cn1ccnc1[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000363099162 300210977 /nfs/dbraw/zinc/21/09/77/300210977.db2.gz LUSUQBOOHHPQAL-RAIGVLPGSA-N 0 1 318.308 1.430 20 5 DDBDMN COc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000363265101 300242005 /nfs/dbraw/zinc/24/20/05/300242005.db2.gz XFCFAMLUBWZXFC-UHTWSYAYSA-N 0 1 319.361 1.702 20 5 DDBDMN O=C(NC[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000364097562 300344036 /nfs/dbraw/zinc/34/40/36/300344036.db2.gz MKCDIDQZXXNXEP-CFVMTHIKSA-N 0 1 303.362 1.684 20 5 DDBDMN Cc1csc(NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000364284856 300368635 /nfs/dbraw/zinc/36/86/35/300368635.db2.gz XNGMEEHUDFCJQE-GHMZBOCLSA-N 0 1 310.379 1.520 20 5 DDBDMN CCc1nc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000364346440 300381532 /nfs/dbraw/zinc/38/15/32/300381532.db2.gz ZBACLPGIAUKFJU-SNVBAGLBSA-N 0 1 305.342 1.309 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@H]21 ZINC000368411688 301021973 /nfs/dbraw/zinc/02/19/73/301021973.db2.gz JBECBFQWVRAZRB-GXFFZTMASA-N 0 1 305.334 1.467 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952732 301109253 /nfs/dbraw/zinc/10/92/53/301109253.db2.gz XEMHFXPZGJHAJE-DFBGVHRSSA-N 0 1 319.361 1.559 20 5 DDBDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000536507626 303360644 /nfs/dbraw/zinc/36/06/44/303360644.db2.gz JXEUOAILMHOULV-MRVPVSSYSA-N 0 1 304.310 1.722 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000368543237 307105306 /nfs/dbraw/zinc/10/53/06/307105306.db2.gz GXJZEAWQSQILQJ-SUJAAXHWSA-N 0 1 316.357 1.683 20 5 DDBDMN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2=O)cc1 ZINC000369647329 307125886 /nfs/dbraw/zinc/12/58/86/307125886.db2.gz LCHWCWQQULMTJW-IHRRRGAJSA-N 0 1 317.345 1.272 20 5 DDBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1nnc[nH]1 ZINC000373174914 307180977 /nfs/dbraw/zinc/18/09/77/307180977.db2.gz DFOCXUJVSNYRGB-NSHDSACASA-N 0 1 319.325 1.053 20 5 DDBDMN COc1ccccc1O[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376483591 307245727 /nfs/dbraw/zinc/24/57/27/307245727.db2.gz FMXNHASNXLSOCK-UPJWGTAASA-N 0 1 320.345 1.730 20 5 DDBDMN CCN1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC)CC1 ZINC000564730610 308004271 /nfs/dbraw/zinc/00/42/71/308004271.db2.gz NPSBGRFXYNPIQU-UHFFFAOYSA-N 0 1 321.381 1.213 20 5 DDBDMN O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CCN1CCCCC1 ZINC000566067533 308042273 /nfs/dbraw/zinc/04/22/73/308042273.db2.gz MPJNKNHAYAIBNT-UHFFFAOYSA-N 0 1 318.333 1.897 20 5 DDBDMN COc1cc(C[N@H+]2C[C@H](OC)C[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000568402749 308117563 /nfs/dbraw/zinc/11/75/63/308117563.db2.gz UTIWDTBGBHMDDR-NWDGAFQWSA-N 0 1 324.333 1.667 20 5 DDBDMN COc1cc(CN(C)[C@@H]2CCC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000582310094 326010284 /nfs/dbraw/zinc/01/02/84/326010284.db2.gz YVIDHKRLYZSGTD-GFCCVEGCSA-N 0 1 307.350 1.656 20 5 DDBDMN Cc1c(C(=O)N[C@@H]2CCCN(CCCO)C2)cccc1[N+](=O)[O-] ZINC000295633394 533806123 /nfs/dbraw/zinc/80/61/23/533806123.db2.gz ZMECBTLPZHFAFP-CYBMUJFWSA-N 0 1 321.377 1.480 20 5 DDBDMN COc1cc(CN2C[C@@H](C)N(CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000451658203 533827245 /nfs/dbraw/zinc/82/72/45/533827245.db2.gz CIEDABJCBSXXHR-BETUJISGSA-N 0 1 323.393 1.490 20 5 DDBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)CCOCC2CC2)c1 ZINC000424070043 534886507 /nfs/dbraw/zinc/88/65/07/534886507.db2.gz WVLIDKSSCVNMRE-UHFFFAOYSA-N 0 1 300.336 1.763 20 5 DDBDMN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159854358 527627873 /nfs/dbraw/zinc/62/78/73/527627873.db2.gz DFRRAZNXEYBTBR-CWZTWBIVSA-N 0 1 301.346 1.961 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1CNC(=O)[O-] ZINC000825924489 603710837 /nfs/dbraw/zinc/71/08/37/603710837.db2.gz INRWNVZSFKVBHC-PWSUYJOCSA-N 0 1 311.342 1.159 20 5 DDBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000825264992 604215200 /nfs/dbraw/zinc/21/52/00/604215200.db2.gz PJVBTZVWGYGNNZ-WDEREUQCSA-N 0 1 311.342 1.159 20 5 DDBDMN Cc1c(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829860024 604559816 /nfs/dbraw/zinc/55/98/16/604559816.db2.gz UQQVNSSIHPOPFN-ZDUSSCGKSA-N 0 1 322.365 1.287 20 5 DDBDMN Cc1c(CN2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829860024 604559820 /nfs/dbraw/zinc/55/98/20/604559820.db2.gz UQQVNSSIHPOPFN-ZDUSSCGKSA-N 0 1 322.365 1.287 20 5 DDBDMN C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833627989 604580895 /nfs/dbraw/zinc/58/08/95/604580895.db2.gz YYORERCDFYXWLB-NXEZZACHSA-N 0 1 321.333 1.458 20 5 DDBDMN O=C([O-])N1CC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000834084408 605582744 /nfs/dbraw/zinc/58/27/44/605582744.db2.gz MTVKJFYCVQJJEM-GFCCVEGCSA-N 0 1 320.349 1.469 20 5 DDBDMN O=C([O-])NC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834220578 606029011 /nfs/dbraw/zinc/02/90/11/606029011.db2.gz OLZGOWUYKLYDCD-FZMZJTMJSA-N 0 1 323.349 1.608 20 5 DDBDMN C[NH+](C)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821583539 606644817 /nfs/dbraw/zinc/64/48/17/606644817.db2.gz ZDCQJSGVBSIGKS-UHFFFAOYSA-N 0 1 317.353 1.305 20 5 DDBDMN COCCOc1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)ccn1 ZINC000772786926 697678810 /nfs/dbraw/zinc/67/88/10/697678810.db2.gz DUTSNQHIIOUHIT-UHFFFAOYSA-N 0 1 321.289 1.700 20 5 DDBDMN O=[N+]([O-])c1c(NCCN2CCCOCC2)nc2ccccn21 ZINC000782418936 698723448 /nfs/dbraw/zinc/72/34/48/698723448.db2.gz YWFFDQNXDPVNEZ-UHFFFAOYSA-N 0 1 305.338 1.377 20 5 DDBDMN 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O=c1nc([C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000285567502 409491478 /nfs/dbraw/zinc/49/14/78/409491478.db2.gz JPQZCCIIHFNLMN-QMMMGPOBSA-N 0 1 307.285 1.529 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000296420162 409541896 /nfs/dbraw/zinc/54/18/96/409541896.db2.gz LIWLORGAOSOLCE-ZDUSSCGKSA-N 0 1 321.377 1.480 20 5 DDBDMN COc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342415678 409612715 /nfs/dbraw/zinc/61/27/15/409612715.db2.gz KMSMUTMUQPPHCI-KOLCDFICSA-N 0 1 314.363 1.126 20 5 DDBDMN O=[N+]([O-])c1ccn(Cc2nc(-c3ccc4[nH]cnc4c3)no2)n1 ZINC000356987515 409768984 /nfs/dbraw/zinc/76/89/84/409768984.db2.gz SXWQGCOLFZSCIE-UHFFFAOYSA-N 0 1 311.261 1.766 20 5 DDBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000331877548 409792071 /nfs/dbraw/zinc/79/20/71/409792071.db2.gz HZPRJGGMSSCHIM-IMJJTQAJSA-N 0 1 322.361 1.662 20 5 DDBDMN CCN1C[C@H](C)N(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000357460900 410052381 /nfs/dbraw/zinc/05/23/81/410052381.db2.gz RRFGCWKBNDADCO-ZJUUUORDSA-N 0 1 307.354 1.008 20 5 DDBDMN Cc1[nH]nc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc12 ZINC000354999089 410230566 /nfs/dbraw/zinc/23/05/66/410230566.db2.gz GXSGCAOROXPRNR-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN CN(CC(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000343315510 410345398 /nfs/dbraw/zinc/34/53/98/410345398.db2.gz XVZUFLFTNLGGTJ-ZDUSSCGKSA-N 0 1 323.418 1.691 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000343372755 410405904 /nfs/dbraw/zinc/40/59/04/410405904.db2.gz YXDOZQIWMNUPPP-ZCFIWIBFSA-N 0 1 315.293 1.389 20 5 DDBDMN CCN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355351921 410461425 /nfs/dbraw/zinc/46/14/25/410461425.db2.gz UYRLUIOKSDHMQK-CABCVRRESA-N 0 1 319.361 1.530 20 5 DDBDMN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc2cncn2c1 ZINC000339945778 410570259 /nfs/dbraw/zinc/57/02/59/410570259.db2.gz YHWIBFGIFGBEHD-UHFFFAOYSA-N 0 1 322.284 2.371 20 5 DDBDMN COc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])cc1OC ZINC000355662489 410629264 /nfs/dbraw/zinc/62/92/64/410629264.db2.gz IGWOWXPFFUJAJU-SSDOTTSWSA-N 0 1 321.293 1.221 20 5 DDBDMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000132287040 196242646 /nfs/dbraw/zinc/24/26/46/196242646.db2.gz UQBNSJACDNDOFR-SECBINFHSA-N 0 1 320.309 1.705 20 5 DDBDMN COCCNCC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000515299704 416695618 /nfs/dbraw/zinc/69/56/18/416695618.db2.gz WITBIYGSJNOVMO-UHFFFAOYSA-N 0 1 319.321 1.159 20 5 DDBDMN CCOc1ccc([C@H](C)N[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000296611900 226048875 /nfs/dbraw/zinc/04/88/75/226048875.db2.gz WIOAMTLGUVTKMR-JQWIXIFHSA-N 0 1 307.350 1.923 20 5 DDBDMN Cc1ccc(OC2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000374702970 418557009 /nfs/dbraw/zinc/55/70/09/418557009.db2.gz TZMDRCXUMMQGPB-QWHCGFSZSA-N 0 1 305.334 1.425 20 5 DDBDMN O=c1[n-]nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC000295417432 418586324 /nfs/dbraw/zinc/58/63/24/418586324.db2.gz TYEQMEWTJWCULS-SNVBAGLBSA-N 0 1 322.296 1.790 20 5 DDBDMN O=c1[n-]nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)o1 ZINC000295417432 418586326 /nfs/dbraw/zinc/58/63/26/418586326.db2.gz TYEQMEWTJWCULS-SNVBAGLBSA-N 0 1 322.296 1.790 20 5 DDBDMN O=C(N[C@H](CO)C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291161603 222185939 /nfs/dbraw/zinc/18/59/39/222185939.db2.gz GOQIZMMFACEDDV-CYBMUJFWSA-N 0 1 318.333 1.752 20 5 DDBDMN CC1(C)[C@@H](O)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361408638 418645851 /nfs/dbraw/zinc/64/58/51/418645851.db2.gz PLLQRABNSLHNKS-LBPRGKRZSA-N 0 1 318.333 1.990 20 5 DDBDMN Cc1cnc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)c(O)c1 ZINC000358541039 418654631 /nfs/dbraw/zinc/65/46/31/418654631.db2.gz ADJJBQZKHFXAEM-UHFFFAOYSA-N 0 1 313.273 2.132 20 5 DDBDMN O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000364679174 418800254 /nfs/dbraw/zinc/80/02/54/418800254.db2.gz QYFUFOGUTRMAOR-CHWSQXEVSA-N 0 1 319.292 1.805 20 5 DDBDMN Cc1ccc(C(=O)N2CCCN([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000364933218 418824666 /nfs/dbraw/zinc/82/46/66/418824666.db2.gz LPDWGZWUWJIPAA-CYBMUJFWSA-N 0 1 321.377 1.432 20 5 DDBDMN O=C(N[C@H]1COc2ccc(F)cc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000365599704 418881165 /nfs/dbraw/zinc/88/11/65/418881165.db2.gz ORWGWNHYVXDEOQ-SECBINFHSA-N 0 1 306.253 1.191 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCCO[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000373056420 418925287 /nfs/dbraw/zinc/92/52/87/418925287.db2.gz HNQWKODDZFRKNF-QWRGUYRKSA-N 0 1 308.338 1.664 20 5 DDBDMN CC1(C)CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000417938183 419401660 /nfs/dbraw/zinc/40/16/60/419401660.db2.gz IZYYBCOQAPUCQH-UHFFFAOYSA-N 0 1 306.366 1.531 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@H](CO)C1 ZINC000420950423 419380422 /nfs/dbraw/zinc/38/04/22/419380422.db2.gz WLNMYJIRUJFWIO-UPJWGTAASA-N 0 1 321.377 1.872 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](C)C(F)(F)C2)c1[N+](=O)[O-] ZINC000427929039 419770375 /nfs/dbraw/zinc/77/03/75/419770375.db2.gz FEILQENLJXSBRS-ZETCQYMHSA-N 0 1 302.281 1.998 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCCCO ZINC000434661906 229317136 /nfs/dbraw/zinc/31/71/36/229317136.db2.gz AOSMZJJKORIXKC-UHFFFAOYSA-N 0 1 309.366 1.936 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1(CO)CCC1 ZINC000429254643 419993983 /nfs/dbraw/zinc/99/39/83/419993983.db2.gz LJIGVPXJKVYJRE-UHFFFAOYSA-N 0 1 307.350 1.689 20 5 DDBDMN CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436966289 420386462 /nfs/dbraw/zinc/38/64/62/420386462.db2.gz MJKTZPLMUYBIKC-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN Cc1ccc(F)c(CN(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000444745341 230130278 /nfs/dbraw/zinc/13/02/78/230130278.db2.gz QRQUEXMIRRWIMM-CQSZACIVSA-N 0 1 322.340 1.732 20 5 DDBDMN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[NH2+]1 ZINC000447252657 230352148 /nfs/dbraw/zinc/35/21/48/230352148.db2.gz SIOJVNDIUXRVSU-YUMQZZPRSA-N 0 1 305.381 1.075 20 5 DDBDMN C[C@H]1CCN(C)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000439358397 420508705 /nfs/dbraw/zinc/50/87/05/420508705.db2.gz XXWWRZQHSXMRGG-NSHDSACASA-N 0 1 320.349 1.086 20 5 DDBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CC=CCC1 ZINC000492320558 420523472 /nfs/dbraw/zinc/52/34/72/420523472.db2.gz PDKNPYHIXIOLLY-TWGQIWQCSA-N 0 1 301.346 1.986 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(NCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450797804 420532997 /nfs/dbraw/zinc/53/29/97/420532997.db2.gz XOZGYHMEWBABHW-BETUJISGSA-N 0 1 306.366 1.882 20 5 DDBDMN C[C@H]1CN(CCO)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000450949263 420566955 /nfs/dbraw/zinc/56/69/55/420566955.db2.gz AMDUUSOZTPNQDQ-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000493328808 420820766 /nfs/dbraw/zinc/82/07/66/420820766.db2.gz VVPIKSATFQMCPD-UXONFWTHSA-N 0 1 313.317 1.742 20 5 DDBDMN CCc1nc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000455320037 420996533 /nfs/dbraw/zinc/99/65/33/420996533.db2.gz ATQMWAHAQQDACA-UHFFFAOYSA-N 0 1 308.273 1.736 20 5 DDBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488926310 421126402 /nfs/dbraw/zinc/12/64/02/421126402.db2.gz QZRANFMJAMUZAV-UHFFFAOYSA-N 0 1 304.241 1.596 20 5 DDBDMN Cc1[nH]ncc1C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000552398637 421586609 /nfs/dbraw/zinc/58/66/09/421586609.db2.gz RHLCJZQCBSTJAU-UHFFFAOYSA-N 0 1 318.337 1.380 20 5 DDBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000552764536 421594023 /nfs/dbraw/zinc/59/40/23/421594023.db2.gz QJVQBSOCTHMVKB-UHFFFAOYSA-N 0 1 304.310 1.369 20 5 DDBDMN CC(C)CN1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633386 421640568 /nfs/dbraw/zinc/64/05/68/421640568.db2.gz NSUPXZBNLWTDIF-ZDUSSCGKSA-N 0 1 322.365 1.076 20 5 DDBDMN COC(=O)c1nc[nH]c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000555511986 421680745 /nfs/dbraw/zinc/68/07/45/421680745.db2.gz PYTKNYLMBUVKMK-UHFFFAOYSA-N 0 1 320.261 1.122 20 5 DDBDMN CCN(CCNC(=O)c1c[nH]nc1[N+](=O)[O-])CCC(F)(F)F ZINC000559041098 421829530 /nfs/dbraw/zinc/82/95/30/421829530.db2.gz PTWXUWUKZVZTNK-UHFFFAOYSA-N 0 1 323.275 1.322 20 5 DDBDMN C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000521050525 421771762 /nfs/dbraw/zinc/77/17/62/421771762.db2.gz RXSYKVHBEDRHRY-SNVBAGLBSA-N 0 1 320.349 1.609 20 5 DDBDMN C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)C1 ZINC000578326334 422545374 /nfs/dbraw/zinc/54/53/74/422545374.db2.gz QYDNVYROWHLNTQ-QWRGUYRKSA-N 0 1 323.349 1.184 20 5 DDBDMN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1n[nH]cc1[N+](=O)[O-] ZINC000179161438 263353914 /nfs/dbraw/zinc/35/39/14/263353914.db2.gz MXEOZQBRTZFIKP-STQMWFEESA-N 0 1 316.317 1.968 20 5 DDBDMN Cc1nn(C)c(C(=O)Nc2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000344455273 272029588 /nfs/dbraw/zinc/02/95/88/272029588.db2.gz YAUAGDDQNRVRCV-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN C[C@H](C[NH+](C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344874579 272134328 /nfs/dbraw/zinc/13/43/28/272134328.db2.gz CLBVJUBOSDMCTD-MRVPVSSYSA-N 0 1 321.786 1.477 20 5 DDBDMN COCCN1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000131925867 274034790 /nfs/dbraw/zinc/03/47/90/274034790.db2.gz MMIIGQWQCIERBK-BETUJISGSA-N 0 1 308.382 1.844 20 5 DDBDMN C[C@@H](CO)[C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000274013353 274228809 /nfs/dbraw/zinc/22/88/09/274228809.db2.gz LZYDNRJLSWHIHR-UWVGGRQHSA-N 0 1 306.322 1.751 20 5 DDBDMN C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)[C@@H](CN)C1 ZINC000420259018 274563505 /nfs/dbraw/zinc/56/35/05/274563505.db2.gz LFWPIJWBSCWJES-GXSJLCMTSA-N 0 1 317.349 1.807 20 5 DDBDMN Cc1c([N+](=O)[O-])cc(C(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000134884154 274666474 /nfs/dbraw/zinc/66/64/74/274666474.db2.gz MEIMKMXIANCKFL-UHFFFAOYSA-N 0 1 308.294 1.197 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@](C)(C(N)=O)C(C)C ZINC000459474085 274797117 /nfs/dbraw/zinc/79/71/17/274797117.db2.gz FFRGKMGXCRTNCO-HNNXBMFYSA-N 0 1 322.365 1.331 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000331477305 278000672 /nfs/dbraw/zinc/00/06/72/278000672.db2.gz AHLFRXFTHQXSCY-GHMZBOCLSA-N 0 1 322.365 1.940 20 5 DDBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188018 280210989 /nfs/dbraw/zinc/21/09/89/280210989.db2.gz FXFZWVBSSBXKJX-UKRRQHHQSA-N 0 1 321.377 1.819 20 5 DDBDMN COC(=O)[C@H](O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373774 281586488 /nfs/dbraw/zinc/58/64/88/281586488.db2.gz PYRPPUGCTDTNHI-IAQYHMDHSA-N 0 1 322.361 1.902 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000273495337 290230924 /nfs/dbraw/zinc/23/09/24/290230924.db2.gz PEIGWLTVNLDZTO-GXFFZTMASA-N 0 1 305.334 1.467 20 5 DDBDMN COC(=O)CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000356952629 298924633 /nfs/dbraw/zinc/92/46/33/298924633.db2.gz OLEIIXIIBLHBIS-UHFFFAOYSA-N 0 1 308.290 1.516 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000363023368 300199970 /nfs/dbraw/zinc/19/99/70/300199970.db2.gz JXBBOQGNAGDTSA-IJLUTSLNSA-N 0 1 319.365 1.333 20 5 DDBDMN Cn1ccnc1[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1ccccc1F ZINC000363099161 300210690 /nfs/dbraw/zinc/21/06/90/300210690.db2.gz LUSUQBOOHHPQAL-CYZMBNFOSA-N 0 1 318.308 1.430 20 5 DDBDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000368872063 301097786 /nfs/dbraw/zinc/09/77/86/301097786.db2.gz GEMFBVGHQSTXIV-FQKPHLNHSA-N 0 1 320.345 1.393 20 5 DDBDMN NC(=O)c1ccc(CN2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000370069193 301270081 /nfs/dbraw/zinc/27/00/81/301270081.db2.gz FLFQBASZFWSCDH-NSHDSACASA-N 0 1 307.350 1.288 20 5 DDBDMN O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000370759169 301386691 /nfs/dbraw/zinc/38/66/91/301386691.db2.gz MGZRZMIQMHCJHH-NEPJUHHUSA-N 0 1 323.349 1.419 20 5 DDBDMN O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC000376766403 302100067 /nfs/dbraw/zinc/10/00/67/302100067.db2.gz WVPXZZXBDDOGAV-NXEZZACHSA-N 0 1 322.708 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1.536 20 5 DDBDMN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000367902323 418654269 /nfs/dbraw/zinc/65/42/69/418654269.db2.gz RFFWACIVIQDFIS-QLFBSQMISA-N 0 1 316.357 1.862 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC000364818927 418812953 /nfs/dbraw/zinc/81/29/53/418812953.db2.gz ZQTWTHRYNGHCHO-SMDDNHRTSA-N 0 1 319.361 1.857 20 5 DDBDMN Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)CO1 ZINC000364837404 418813481 /nfs/dbraw/zinc/81/34/81/418813481.db2.gz KLTKBWSWTMDNFK-RZFFKMDDSA-N 0 1 304.346 1.949 20 5 DDBDMN Cc1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000371824944 418820186 /nfs/dbraw/zinc/82/01/86/418820186.db2.gz OMPFAQCDCLVCIA-GDBMZVCRSA-N 0 1 305.378 1.939 20 5 DDBDMN Nc1cc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000365880429 418918715 /nfs/dbraw/zinc/91/87/15/418918715.db2.gz QSMORTDAXIHOAI-GFCCVEGCSA-N 0 1 302.338 1.606 20 5 DDBDMN O=[N+]([O-])c1cccc2c(N3CCN(CCCO)CC3)ccnc21 ZINC000432343591 229097579 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DDBDMN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296852441 279589467 /nfs/dbraw/zinc/58/94/67/279589467.db2.gz YEGSWYRRRZVXTI-QWRGUYRKSA-N 0 1 322.365 1.868 20 5 DDBDMN COC(=O)[C@H](CC(F)F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356724925 298859752 /nfs/dbraw/zinc/85/97/52/298859752.db2.gz HYRCEIZZWXQSNB-VIFPVBQESA-N 0 1 318.232 1.227 20 5 DDBDMN COc1cc(C(=O)NCCN2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000358062411 299061593 /nfs/dbraw/zinc/06/15/93/299061593.db2.gz XIUPTCGMFGQQSO-UHFFFAOYSA-N 0 1 319.361 1.985 20 5 DDBDMN CN(c1ccccc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363154399 300221636 /nfs/dbraw/zinc/22/16/36/300221636.db2.gz PAHMXMMQTDVGPA-HUUCEWRRSA-N 0 1 303.362 1.779 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000364458462 300399770 /nfs/dbraw/zinc/39/97/70/300399770.db2.gz ZDZKXSDHPXJWFY-GXTWGEPZSA-N 0 1 314.345 1.934 20 5 DDBDMN O=C(N[C@@H](CO)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356767152 306862746 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DDBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCN(CCCF)CC3)nc2c1 ZINC000599666827 358016252 /nfs/dbraw/zinc/01/62/52/358016252.db2.gz CWQLATMGOBDOLE-UHFFFAOYSA-N 0 1 321.356 1.948 20 5 DDBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599937113 358085372 /nfs/dbraw/zinc/08/53/72/358085372.db2.gz DTRFOQPGDIQBCH-GXTWGEPZSA-N 0 1 323.324 1.015 20 5 DDBDMN CCOc1cc(C(=O)Nc2n[nH]c(C)n2)c([N+](=O)[O-])cc1OC ZINC000348071169 283354022 /nfs/dbraw/zinc/35/40/22/283354022.db2.gz QCCJTLMISLOBDX-UHFFFAOYSA-N 0 1 321.293 1.681 20 5 DDBDMN CC(C)(C(=O)NCCN1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600808061 358320091 /nfs/dbraw/zinc/32/00/91/358320091.db2.gz HGSVJSABEVBWLB-LBPRGKRZSA-N 0 1 321.377 1.055 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[C@H](O)C1 ZINC000600808832 358320855 /nfs/dbraw/zinc/32/08/55/358320855.db2.gz SNTFYKWADJIZEK-ZDUSSCGKSA-N 0 1 321.377 1.316 20 5 DDBDMN CCOC(=O)c1ccnc(N2CC(N3CCCC3)C2)c1[N+](=O)[O-] ZINC000601194372 358441490 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CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000156091904 197086454 /nfs/dbraw/zinc/08/64/54/197086454.db2.gz SVXSLSKWOBEWBP-SECBINFHSA-N 0 1 312.326 1.414 20 5 DDBDMN CCN(C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000049320564 407118163 /nfs/dbraw/zinc/11/81/63/407118163.db2.gz YMNQUBPXKFJLTO-UHFFFAOYSA-N 0 1 301.368 1.362 20 5 DDBDMN Cc1c(CN2CCN(C(=O)CN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051763402 407142821 /nfs/dbraw/zinc/14/28/21/407142821.db2.gz NBAYJGFPYNIRMP-UHFFFAOYSA-N 0 1 320.393 1.109 20 5 DDBDMN COCCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196113 407208913 /nfs/dbraw/zinc/20/89/13/407208913.db2.gz UMJLKKMALZORAZ-NWDGAFQWSA-N 0 1 309.366 1.787 20 5 DDBDMN CN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000098117538 407305839 /nfs/dbraw/zinc/30/58/39/407305839.db2.gz ZFWQCHZWZVWFTH-UHFFFAOYSA-N 0 1 305.381 1.029 20 5 DDBDMN CCCCN(CCOC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000109333711 407397687 /nfs/dbraw/zinc/39/76/87/407397687.db2.gz WLHDNGVUFSCAID-UHFFFAOYSA-N 0 1 309.366 1.942 20 5 DDBDMN COc1ccc(NC(=O)CN(C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178759876 407589694 /nfs/dbraw/zinc/58/96/94/407589694.db2.gz HBZNDXINLIZGQR-LLVKDONJSA-N 0 1 323.349 1.510 20 5 DDBDMN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178679145 407542426 /nfs/dbraw/zinc/54/24/26/407542426.db2.gz UFZIJWHKQHTRHZ-WDEREUQCSA-N 0 1 322.365 1.788 20 5 DDBDMN CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccnc1 ZINC000152445255 407636486 /nfs/dbraw/zinc/63/64/86/407636486.db2.gz BVQKLJYZJNUBHM-NSHDSACASA-N 0 1 303.322 1.883 20 5 DDBDMN O=c1[nH]c(SCc2c(F)cccc2[N+](=O)[O-])nc2n[nH]cc21 ZINC000171611118 407719917 /nfs/dbraw/zinc/71/99/17/407719917.db2.gz TUDHWMMEIDCSEF-UHFFFAOYSA-N 0 1 321.293 1.986 20 5 DDBDMN C[C@@H](NCC(=O)NC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000180437386 407889156 /nfs/dbraw/zinc/88/91/56/407889156.db2.gz ITSCJXXFNOPRGU-LLVKDONJSA-N 0 1 307.350 1.541 20 5 DDBDMN C[N@@H+](CCC(=O)[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000262681711 407898621 /nfs/dbraw/zinc/89/86/21/407898621.db2.gz WHGXNMSFGNICID-LBPRGKRZSA-N 0 1 307.306 1.107 20 5 DDBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)o1 ZINC000181900783 408051419 /nfs/dbraw/zinc/05/14/19/408051419.db2.gz GCWGURRNULDSAO-UHFFFAOYSA-N 0 1 317.265 1.267 20 5 DDBDMN CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000119182071 408008673 /nfs/dbraw/zinc/00/86/73/408008673.db2.gz YXXAYWWNUVIXLB-JQWIXIFHSA-N 0 1 307.350 1.759 20 5 DDBDMN O=C(NC[C@H](O)CCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000273274959 408133608 /nfs/dbraw/zinc/13/36/08/408133608.db2.gz QNWJQRPBNTUIFN-LLVKDONJSA-N 0 1 304.306 1.041 20 5 DDBDMN COCCOCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175683175 408183806 /nfs/dbraw/zinc/18/38/06/408183806.db2.gz NKZZTASGMZORGP-LBPRGKRZSA-N 0 1 310.354 1.139 20 5 DDBDMN Cn1cncc1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000155622924 408190190 /nfs/dbraw/zinc/19/01/90/408190190.db2.gz SFCHXFAFKTXXQV-UHFFFAOYSA-N 0 1 314.305 1.177 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@H](c3ccco3)C2)c1[N+](=O)[O-] ZINC000175721995 408190329 /nfs/dbraw/zinc/19/03/29/408190329.db2.gz SURIGWBXWQOGPN-NSHDSACASA-N 0 1 320.305 1.687 20 5 DDBDMN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000263746024 408237927 /nfs/dbraw/zinc/23/79/27/408237927.db2.gz JDYRBKZYWHFAOS-JTQLQIEISA-N 0 1 312.395 1.022 20 5 DDBDMN CN(C)C(=O)[C@H]1CCCN1CCCNc1ncccc1[N+](=O)[O-] ZINC000263753846 408240520 /nfs/dbraw/zinc/24/05/20/408240520.db2.gz TUDJXGSXHTVBLE-CYBMUJFWSA-N 0 1 321.381 1.344 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170736943 162189610 /nfs/dbraw/zinc/18/96/10/162189610.db2.gz LWHXJQOHLWBHPU-SNVBAGLBSA-N 0 1 306.322 1.006 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCn2ccnc2)c1[N+](=O)[O-] ZINC000269596838 408356573 /nfs/dbraw/zinc/35/65/73/408356573.db2.gz OAXNCNSOBPDYAW-UHFFFAOYSA-N 0 1 320.353 1.800 20 5 DDBDMN CNC(=O)CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269668993 408385273 /nfs/dbraw/zinc/38/52/73/408385273.db2.gz UCWYLBBMAUNVLZ-OAHLLOKOSA-N 0 1 321.377 1.476 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000159601349 408419963 /nfs/dbraw/zinc/41/99/63/408419963.db2.gz XLMUKQWNPIELLL-LLVKDONJSA-N 0 1 315.333 1.717 20 5 DDBDMN O=C(NC[C@]1(O)CCSC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176712797 408422413 /nfs/dbraw/zinc/42/24/13/408422413.db2.gz CHEJOJSDCOKCDC-CYBMUJFWSA-N 0 1 322.346 1.069 20 5 DDBDMN CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274711477 408505272 /nfs/dbraw/zinc/50/52/72/408505272.db2.gz YDOAQAFBNOGXOE-ZDUSSCGKSA-N 0 1 322.317 1.858 20 5 DDBDMN C[C@H](CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000274794234 408533267 /nfs/dbraw/zinc/53/32/67/408533267.db2.gz QVSTXJPFINUPFW-SSDOTTSWSA-N 0 1 308.273 1.123 20 5 DDBDMN COC(=O)CCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270718166 408650803 /nfs/dbraw/zinc/65/08/03/408650803.db2.gz CWUJWXJHYNUSQZ-UHFFFAOYSA-N 0 1 312.326 1.561 20 5 DDBDMN CCS(=O)(=O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192814063 408657004 /nfs/dbraw/zinc/65/70/04/408657004.db2.gz FNMAKJBSTJCNES-CQSZACIVSA-N 0 1 312.391 1.997 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000164007639 408793156 /nfs/dbraw/zinc/79/31/56/408793156.db2.gz YEAVKPYKYMAKIY-NSHDSACASA-N 0 1 319.321 1.179 20 5 DDBDMN Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185360625 408800968 /nfs/dbraw/zinc/80/09/68/408800968.db2.gz UJWGZGRHBCWQKH-SNVBAGLBSA-N 0 1 318.333 1.871 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CCO)c2ccco2)c1 ZINC000185124695 408765642 /nfs/dbraw/zinc/76/56/42/408765642.db2.gz MQQJJFKFCHTZCQ-ZIAGYGMSSA-N 0 1 306.318 1.935 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000285631191 408832724 /nfs/dbraw/zinc/83/27/24/408832724.db2.gz AFKVZRCVMLADTK-ONGXEEELSA-N 0 1 322.287 1.284 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc([O-])c1[N+](=O)[O-] ZINC000280932287 408861555 /nfs/dbraw/zinc/86/15/55/408861555.db2.gz KPMBMRRCOVYFRE-NEPJUHHUSA-N 0 1 305.334 1.657 20 5 DDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000187073708 163003998 /nfs/dbraw/zinc/00/39/98/163003998.db2.gz JRWPLGHDXFXYQZ-UHFFFAOYSA-N 0 1 320.349 1.396 20 5 DDBDMN COc1cc(Cn2nc(SC)[nH]c2=O)c([N+](=O)[O-])cc1F ZINC000194579832 163287475 /nfs/dbraw/zinc/28/74/75/163287475.db2.gz JHZKQDPXLDSGRF-UHFFFAOYSA-N 0 1 314.298 1.398 20 5 DDBDMN Nc1ccc(N2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000286425931 408982948 /nfs/dbraw/zinc/98/29/48/408982948.db2.gz LHLHFJWNAUHNHF-CYBMUJFWSA-N 0 1 320.393 1.726 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000287455868 409039574 /nfs/dbraw/zinc/03/95/74/409039574.db2.gz RTULUNHRJIYROU-GXSJLCMTSA-N 0 1 310.354 1.782 20 5 DDBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(CCO)CCCO)c1 ZINC000293180701 409063402 /nfs/dbraw/zinc/06/34/02/409063402.db2.gz SMBKZSJPAWHQIY-UHFFFAOYSA-N 0 1 322.283 1.790 20 5 DDBDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000321308458 164044050 /nfs/dbraw/zinc/04/40/50/164044050.db2.gz CRQAVIMZPOZAPU-YPMHNXCESA-N 0 1 318.377 1.876 20 5 DDBDMN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408158926 164246068 /nfs/dbraw/zinc/24/60/68/164246068.db2.gz NGWVQAOBYQPVRY-DGCLKSJQSA-N 0 1 319.361 1.999 20 5 DDBDMN CN1CCN(C)[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000296971627 409737164 /nfs/dbraw/zinc/73/71/64/409737164.db2.gz DDMBFXDHPSLTOB-CQSZACIVSA-N 0 1 315.377 1.801 20 5 DDBDMN CCCN1CCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354523324 409918140 /nfs/dbraw/zinc/91/81/40/409918140.db2.gz WTSXUCGTYYGEMC-CYBMUJFWSA-N 0 1 317.349 2.284 20 5 DDBDMN CCCN1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000332240690 410006050 /nfs/dbraw/zinc/00/60/50/410006050.db2.gz UTTBPPMARIOFHV-UHFFFAOYSA-N 0 1 307.350 1.745 20 5 DDBDMN CN(C)C(=O)NCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000355051444 410269903 /nfs/dbraw/zinc/26/99/03/410269903.db2.gz NNQOFZWJIRZJPP-UHFFFAOYSA-N 0 1 310.354 1.177 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339616243 410331585 /nfs/dbraw/zinc/33/15/85/410331585.db2.gz ZXIDNLPDTBWHKL-STQMWFEESA-N 0 1 320.393 1.866 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1 ZINC000343343950 410376052 /nfs/dbraw/zinc/37/60/52/410376052.db2.gz BXOWCYRBEPGSCS-SSDOTTSWSA-N 0 1 314.305 1.994 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H]2CC2CCC2)c1 ZINC000339781480 410455852 /nfs/dbraw/zinc/45/58/52/410455852.db2.gz YDYPPRRCIMALAK-DZGCQCFKSA-N 0 1 324.381 1.043 20 5 DDBDMN CCOC(=O)c1c[nH]c(NC(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000352158414 410516458 /nfs/dbraw/zinc/51/64/58/410516458.db2.gz IUHGSJWIBQLMCZ-UHFFFAOYSA-N 0 1 307.266 1.085 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCN1C ZINC000299213212 410571625 /nfs/dbraw/zinc/57/16/25/410571625.db2.gz FCXIBGVBDHIYRP-NSHDSACASA-N 0 1 313.379 1.276 20 5 DDBDMN CCN(CC)CCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352316010 410617093 /nfs/dbraw/zinc/61/70/93/410617093.db2.gz YSMHBSZPQQPIQT-UHFFFAOYSA-N 0 1 315.395 1.356 20 5 DDBDMN COCCOC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000359354341 410617913 /nfs/dbraw/zinc/61/79/13/410617913.db2.gz ZJIJTFQNCQCWAU-VIFPVBQESA-N 0 1 322.321 1.252 20 5 DDBDMN CCCCCOC1CN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000359501562 410695054 /nfs/dbraw/zinc/69/50/54/410695054.db2.gz MGUMLBIPRNEZCT-UHFFFAOYSA-N 0 1 310.354 1.912 20 5 DDBDMN Cc1nn(C)c(N2CCC(N3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301306381 410697273 /nfs/dbraw/zinc/69/72/73/410697273.db2.gz YLVZKVVEICRMFB-NSHDSACASA-N 0 1 323.397 1.326 20 5 DDBDMN CC[C@@H](C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000355961425 410751948 /nfs/dbraw/zinc/75/19/48/410751948.db2.gz VOGUZBPJJXVUDA-PELKAZGASA-N 0 1 310.306 1.618 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344055658 410922523 /nfs/dbraw/zinc/92/25/23/410922523.db2.gz KUSVPNXLTQARLO-BVIHXZOGSA-N 0 1 319.361 1.625 20 5 DDBDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465709 411046690 /nfs/dbraw/zinc/04/66/90/411046690.db2.gz YVFLXXRTUGBDRT-WDEREUQCSA-N 0 1 309.370 1.179 20 5 DDBDMN COc1cc(CN(C)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000348556870 411015354 /nfs/dbraw/zinc/01/53/54/411015354.db2.gz QCPRJOWQPBLULT-WCQYABFASA-N 0 1 310.350 1.957 20 5 DDBDMN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356649972 411116743 /nfs/dbraw/zinc/11/67/43/411116743.db2.gz QVECLKRYNHQMAN-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356649972 411116747 /nfs/dbraw/zinc/11/67/47/411116747.db2.gz QVECLKRYNHQMAN-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nnc[nH]1 ZINC000128929971 196004661 /nfs/dbraw/zinc/00/46/61/196004661.db2.gz MBKXIGDCXAMTRL-QMMMGPOBSA-N 0 1 311.323 1.061 20 5 DDBDMN Cc1cc(Cl)c(C(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000295909652 225371270 /nfs/dbraw/zinc/37/12/70/225371270.db2.gz RAZVICWQQHUURA-UHFFFAOYSA-N 0 1 309.713 1.947 20 5 DDBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)CN1CCO ZINC000419338955 226123963 /nfs/dbraw/zinc/12/39/63/226123963.db2.gz ZPGZCUBKBBVYRX-NEPJUHHUSA-N 0 1 311.357 1.621 20 5 DDBDMN C[C@H]1OCC[C@]12C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085787 418428471 /nfs/dbraw/zinc/42/84/71/418428471.db2.gz HCLAASYLJSHRBE-BZPMIXESSA-N 0 1 310.354 1.060 20 5 DDBDMN C[C@H]1OCC[C@]12CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085787 418428473 /nfs/dbraw/zinc/42/84/73/418428473.db2.gz HCLAASYLJSHRBE-BZPMIXESSA-N 0 1 310.354 1.060 20 5 DDBDMN CCC[N@H+]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000367207468 418570817 /nfs/dbraw/zinc/57/08/17/418570817.db2.gz XVXYJRXKIUNLFM-UHFFFAOYSA-N 0 1 307.350 1.858 20 5 DDBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000374558227 418539773 /nfs/dbraw/zinc/53/97/73/418539773.db2.gz SXDLWKAZEPRHCU-QWHCGFSZSA-N 0 1 315.333 1.518 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(-c3ccco3)n2)n1 ZINC000191799625 222109960 /nfs/dbraw/zinc/10/99/60/222109960.db2.gz AQLCPLVEIDUOEB-UHFFFAOYSA-N 0 1 317.265 1.442 20 5 DDBDMN Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(C(F)F)n1 ZINC000291231862 222242799 /nfs/dbraw/zinc/24/27/99/222242799.db2.gz PWRFDVPFFUWTNJ-UHFFFAOYSA-N 0 1 300.269 1.252 20 5 DDBDMN CC(C)[N@H+]1CCO[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000375101095 418605735 /nfs/dbraw/zinc/60/57/35/418605735.db2.gz NHKLCWCAYOHWBE-OAHLLOKOSA-N 0 1 321.377 1.363 20 5 DDBDMN CC(C)N1CCO[C@@H](C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000375101095 418605739 /nfs/dbraw/zinc/60/57/39/418605739.db2.gz NHKLCWCAYOHWBE-OAHLLOKOSA-N 0 1 321.377 1.363 20 5 DDBDMN CNc1c(C(=O)N2CCN(C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361213711 418607006 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DDBDMN COc1ccccc1N1CC[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000378127382 307282360 /nfs/dbraw/zinc/28/23/60/307282360.db2.gz QJXFEFZBJBRRKZ-GVXVVHGQSA-N 0 1 305.334 1.055 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2COc3ccc(F)cc32)c1 ZINC000579825431 308559531 /nfs/dbraw/zinc/55/95/31/308559531.db2.gz XLDYIHQNTMADPW-DGCLKSJQSA-N 0 1 322.296 1.015 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCN1C ZINC000490300041 527825570 /nfs/dbraw/zinc/82/55/70/527825570.db2.gz NXDYUWPSOFCHHW-CYBMUJFWSA-N 0 1 323.397 1.325 20 5 DDBDMN CCC(=O)N[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000330779862 528418900 /nfs/dbraw/zinc/41/89/00/528418900.db2.gz MYVSTDWNSKDMEI-NSHDSACASA-N 0 1 321.333 1.431 20 5 DDBDMN CC(C)c1nc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000295767558 528431296 /nfs/dbraw/zinc/43/12/96/528431296.db2.gz PMJUIFIDOJIVOI-UHFFFAOYSA-N 0 1 303.322 1.695 20 5 DDBDMN Cc1nn(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000738926394 600280147 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323.349 1.905 20 5 DDBDMN C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000828435090 603599179 /nfs/dbraw/zinc/59/91/79/603599179.db2.gz XHNCREHARVNBSN-LBPRGKRZSA-N 0 1 319.321 1.586 20 5 DDBDMN C[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000828435090 603599181 /nfs/dbraw/zinc/59/91/81/603599181.db2.gz XHNCREHARVNBSN-LBPRGKRZSA-N 0 1 319.321 1.586 20 5 DDBDMN Cc1csc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000973243571 695452078 /nfs/dbraw/zinc/45/20/78/695452078.db2.gz WNHSNAAGITWAGO-GWOFURMSSA-N 0 1 323.374 1.099 20 5 DDBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000748373862 700114767 /nfs/dbraw/zinc/11/47/67/700114767.db2.gz AIUCAPTURSNFLH-ZCFIWIBFSA-N 0 1 306.238 1.112 20 5 DDBDMN CCNS(=O)(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219188501 697753588 /nfs/dbraw/zinc/75/35/88/697753588.db2.gz YJCGFSJFBPNYKB-JTQLQIEISA-N 0 1 301.368 1.185 20 5 DDBDMN O=[N+]([O-])c1cnn(CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000738112661 699752792 /nfs/dbraw/zinc/75/27/92/699752792.db2.gz ZLKZCKIWLBVHOA-UHFFFAOYSA-N 0 1 323.397 1.183 20 5 DDBDMN CC(=CC(=O)N[C@@H](C)c1nnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000752488778 700367750 /nfs/dbraw/zinc/36/77/50/700367750.db2.gz FYSZXKZMTYVCQS-PCYYEKQGSA-N 0 1 301.306 1.994 20 5 DDBDMN CCc1cc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000759027622 700734843 /nfs/dbraw/zinc/73/48/43/700734843.db2.gz MMEKXSYTHGEUFP-UHFFFAOYSA-N 0 1 324.362 1.500 20 5 DDBDMN Cc1nnc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000768892488 701214357 /nfs/dbraw/zinc/21/43/57/701214357.db2.gz USWTXBFYUFXMTI-UHFFFAOYSA-N 0 1 320.377 1.295 20 5 DDBDMN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839570200 701740294 /nfs/dbraw/zinc/74/02/94/701740294.db2.gz WRDBMSRVADFIDM-SYQHCUMBSA-N 0 1 308.309 1.827 20 5 DDBDMN CCCCCC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839609559 701753014 /nfs/dbraw/zinc/75/30/14/701753014.db2.gz DBOHKVPPTNNFJX-CHWSQXEVSA-N 0 1 311.382 1.339 20 5 DDBDMN COC(=O)C(C)(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839705696 701790962 /nfs/dbraw/zinc/79/09/62/701790962.db2.gz MDGQWAPZFKUGPT-JHJVBQTASA-N 0 1 320.345 1.708 20 5 DDBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1[N+](=O)[O-] ZINC000839724357 701798352 /nfs/dbraw/zinc/79/83/52/701798352.db2.gz NKAMBWCPNQDZIM-MWLCHTKSSA-N 0 1 313.697 1.572 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2c(ncn2-c2ccccc2)C1 ZINC000839725657 701799182 /nfs/dbraw/zinc/79/91/82/701799182.db2.gz UARDXQNGDYNNEE-IUODEOHRSA-N 0 1 312.329 1.422 20 5 DDBDMN CCOc1cccc(CN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839792748 701828156 /nfs/dbraw/zinc/82/81/56/701828156.db2.gz NAIBUMMCGRFHMX-ZIAGYGMSSA-N 0 1 308.334 1.071 20 5 DDBDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839922789 701866678 /nfs/dbraw/zinc/86/66/78/701866678.db2.gz XXELWZDMIUXOOV-NILFDRSVSA-N 0 1 305.378 1.773 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n[nH]1 ZINC000840041241 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319.321 1.950 20 5 DDBDMN CC(C)(C)c1nc(COC(=O)c2c(N)cccc2[N+](=O)[O-])n[nH]1 ZINC000814464399 702526533 /nfs/dbraw/zinc/52/65/33/702526533.db2.gz TYXZXJRBMGQQLV-UHFFFAOYSA-N 0 1 319.321 1.950 20 5 DDBDMN O=C(NCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC1[N+](=O)[O-] ZINC000843633153 702910783 /nfs/dbraw/zinc/91/07/83/702910783.db2.gz QOOXJRFOYPOGQV-HTQZYQBOSA-N 0 1 300.217 1.290 20 5 DDBDMN O=C([O-])[C@@]12C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000846282931 703261241 /nfs/dbraw/zinc/26/12/41/703261241.db2.gz SNMCFTYMUQBUFG-WFASDCNBSA-N 0 1 306.318 1.518 20 5 DDBDMN C[C@@](N)(C(=O)NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000870959099 704182267 /nfs/dbraw/zinc/18/22/67/704182267.db2.gz TYKXAXYRIAVTBB-MFKMUULPSA-N 0 1 313.304 1.930 20 5 DDBDMN COc1cc(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(OC)c1O ZINC000857423147 704588222 /nfs/dbraw/zinc/58/82/22/704588222.db2.gz VETPAHCPWHZGLC-GHMZBOCLSA-N 0 1 324.333 1.123 20 5 DDBDMN C[C@H]1CNCCN1C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764696 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CC(=O)N[C@@H](CC(C)C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837628813 707699958 /nfs/dbraw/zinc/69/99/58/707699958.db2.gz XBKWHMXYWIWHID-ZDUSSCGKSA-N 0 1 324.333 1.894 20 5 DDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])c1cn(CC2CC2)nn1 ZINC000838225051 707872622 /nfs/dbraw/zinc/87/26/22/707872622.db2.gz YSCMSIHSDBSONS-UHFFFAOYSA-N 0 1 318.289 1.659 20 5 DDBDMN CC(C)C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000896650108 708108078 /nfs/dbraw/zinc/10/80/78/708108078.db2.gz CXLCCTQLXNOYHE-CYBMUJFWSA-N 0 1 320.393 1.860 20 5 DDBDMN CCC[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1CCOC ZINC000886099364 708698254 /nfs/dbraw/zinc/69/82/54/708698254.db2.gz YCOUMOUUFTXCCA-HNNXBMFYSA-N 0 1 322.409 1.923 20 5 DDBDMN C[N@H+]1C[C@@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887928087 709167521 /nfs/dbraw/zinc/16/75/21/709167521.db2.gz VNCCRRLYDNKCKM-BMIGLBTASA-N 0 1 305.334 1.324 20 5 DDBDMN COc1cccc(C(=O)N[C@]2(C)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000892770159 710495693 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20 5 DDBDMN COC(=O)[C@]1(NCC[N+](=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000930151969 713768272 /nfs/dbraw/zinc/76/82/72/713768272.db2.gz LCIZYEGFWABZKM-INIZCTEOSA-N 0 1 321.377 1.061 20 5 DDBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930328133 713805110 /nfs/dbraw/zinc/80/51/10/713805110.db2.gz ZKDCHSXRAGRBNY-LBPRGKRZSA-N 0 1 301.387 1.890 20 5 DDBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930328133 713805111 /nfs/dbraw/zinc/80/51/11/713805111.db2.gz ZKDCHSXRAGRBNY-LBPRGKRZSA-N 0 1 301.387 1.890 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H](C)N(C)C[C@H]1C ZINC001164637378 719161078 /nfs/dbraw/zinc/16/10/78/719161078.db2.gz OKGXOHOZYHVQBG-VHSXEESVSA-N 0 1 308.338 1.305 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(Cc2cccc(F)c2)C1 ZINC000950056278 720470068 /nfs/dbraw/zinc/47/00/68/720470068.db2.gz ZGZRWZAWZHVLGR-HUUCEWRRSA-N 0 1 321.352 1.524 20 5 DDBDMN Cc1cc(C(=O)N(C)CCN(C)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC001105340293 738462408 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CC1(C)CNCCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592372614 355569746 /nfs/dbraw/zinc/56/97/46/355569746.db2.gz CRPGVITZPFFKEM-UHFFFAOYSA-N 0 1 313.379 1.108 20 5 DDBDMN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066441 355785414 /nfs/dbraw/zinc/78/54/14/355785414.db2.gz DFIKAPDUOUSECX-ZDUSSCGKSA-N 0 1 307.350 1.695 20 5 DDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000593542571 355919632 /nfs/dbraw/zinc/91/96/32/355919632.db2.gz ZHFHCUVPUUXLBN-NSHDSACASA-N 0 1 318.308 1.673 20 5 DDBDMN CO[C@H]1C[C@H](CC(=O)[O-])[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593751161 355986071 /nfs/dbraw/zinc/98/60/71/355986071.db2.gz XISKVQZTAKXRFI-NEPJUHHUSA-N 0 1 324.333 1.538 20 5 DDBDMN CCC(C)(C)N1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000594389887 356194385 /nfs/dbraw/zinc/19/43/85/356194385.db2.gz POXIWLDCJYQRNQ-UHFFFAOYSA-N 0 1 323.397 1.583 20 5 DDBDMN O=[N+]([O-])c1cc(CNCc2n[nH]c([C@H]3CCCO3)n2)cs1 ZINC000594513435 356241867 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COC1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000610571600 360472279 /nfs/dbraw/zinc/47/22/79/360472279.db2.gz FURAGJQVZURXCA-UHFFFAOYSA-N 0 1 307.350 1.435 20 5 DDBDMN Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000610729726 360519561 /nfs/dbraw/zinc/51/95/61/360519561.db2.gz HTRJTFPAIAZNDZ-LLVKDONJSA-N 0 1 318.337 1.646 20 5 DDBDMN CCN1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611087777 360618588 /nfs/dbraw/zinc/61/85/88/360618588.db2.gz JIFXFADPXQIQHW-NSHDSACASA-N 0 1 323.397 1.351 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1c[nH]nn1 ZINC000619154509 363917143 /nfs/dbraw/zinc/91/71/43/363917143.db2.gz RCCJNSCXGUOOSM-UHFFFAOYSA-N 0 1 311.685 1.765 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000619871607 364168898 /nfs/dbraw/zinc/16/88/98/364168898.db2.gz PIQLMAGXNVECCR-LBPRGKRZSA-N 0 1 322.365 1.250 20 5 DDBDMN CC[C@@]1(CO)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000275232898 212213451 /nfs/dbraw/zinc/21/34/51/212213451.db2.gz QCXPDKMEZKHVAE-OAHLLOKOSA-N 0 1 308.334 1.925 20 5 DDBDMN O=[N+]([O-])c1cnc(NCCc2nc[nH]n2)c(Br)c1 ZINC000093434159 193250924 /nfs/dbraw/zinc/25/09/24/193250924.db2.gz USNCTJJIVBWNLH-UHFFFAOYSA-N 0 1 313.115 1.525 20 5 DDBDMN C[C@H]1NCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262751702 203397908 /nfs/dbraw/zinc/39/79/08/203397908.db2.gz GPAIWIQWHDEUCB-GHMZBOCLSA-N 0 1 313.379 1.107 20 5 DDBDMN CCC[C@@]1(CO)CCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000278176565 214006069 /nfs/dbraw/zinc/00/60/69/214006069.db2.gz QMZQHOUPNJVFQV-AWEZNQCLSA-N 0 1 310.354 1.648 20 5 DDBDMN CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000351486023 284336452 /nfs/dbraw/zinc/33/64/52/284336452.db2.gz LTSBOBKVIUSAIH-ZFWWWQNUSA-N 0 1 314.345 1.751 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000273655616 210954862 /nfs/dbraw/zinc/95/48/62/210954862.db2.gz WARTVHXPIJGMKX-MWLCHTKSSA-N 0 1 324.381 1.749 20 5 DDBDMN CCOC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000268900940 207069402 /nfs/dbraw/zinc/06/94/02/207069402.db2.gz QDSYJTBTJAFSCG-SECBINFHSA-N 0 1 310.310 1.042 20 5 DDBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000269129679 207263282 /nfs/dbraw/zinc/26/32/82/207263282.db2.gz APZREEBOMLUHLM-MRVPVSSYSA-N 0 1 309.322 1.333 20 5 DDBDMN C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269193918 207314646 /nfs/dbraw/zinc/31/46/46/207314646.db2.gz PBWGHVGIRHYRAX-LLVKDONJSA-N 0 1 307.350 1.905 20 5 DDBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCSCC1 ZINC000352315694 284954933 /nfs/dbraw/zinc/95/49/33/284954933.db2.gz PAYQQVACWWOMES-UHFFFAOYSA-N 0 1 324.406 1.415 20 5 DDBDMN C[C@@H]1CSC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000352346600 284981985 /nfs/dbraw/zinc/98/19/85/284981985.db2.gz SGCPTYDKNHOAGE-APPZFPTMSA-N 0 1 320.367 1.764 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2nnc(CN(CCO)CC3CC3)o2)cc1 ZINC000352490797 285087808 /nfs/dbraw/zinc/08/78/08/285087808.db2.gz LIGQPXRHVIAPQB-UHFFFAOYSA-N 0 1 318.333 1.849 20 5 DDBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3ncnn3C2)c([N+](=O)[O-])c1 ZINC000194396684 285115045 /nfs/dbraw/zinc/11/50/45/285115045.db2.gz JZHHLDLMVDCUEV-SNVBAGLBSA-N 0 1 318.293 1.199 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc(C)no2)c1[N+](=O)[O-] ZINC000286490891 219016306 /nfs/dbraw/zinc/01/63/06/219016306.db2.gz IAEZQTUTVDIKAU-VIFPVBQESA-N 0 1 320.309 1.549 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000288716560 220365779 /nfs/dbraw/zinc/36/57/79/220365779.db2.gz XXKZWPOFYITTJT-UHFFFAOYSA-N 0 1 316.317 1.777 20 5 DDBDMN Cc1noc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157756879 197212827 /nfs/dbraw/zinc/21/28/27/197212827.db2.gz FUMLQOLTJVMEHH-LLVKDONJSA-N 0 1 306.326 1.362 20 5 DDBDMN Cc1noc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000157757032 197212607 /nfs/dbraw/zinc/21/26/07/197212607.db2.gz FUMLQOLTJVMEHH-NSHDSACASA-N 0 1 306.326 1.362 20 5 DDBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1nnc[nH]1 ZINC000289715489 221175254 /nfs/dbraw/zinc/17/52/54/221175254.db2.gz HXYKUPXQPPVFIH-UHFFFAOYSA-N 0 1 304.310 1.939 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000294835807 533663528 /nfs/dbraw/zinc/66/35/28/533663528.db2.gz MULGKVCJJNMPND-OCCSQVGLSA-N 0 1 306.322 1.410 20 5 DDBDMN CO[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[C@@H]1C ZINC000275986170 286072563 /nfs/dbraw/zinc/07/25/63/286072563.db2.gz GZQJTXDEVKTYFG-UWVGGRQHSA-N 0 1 310.354 1.938 20 5 DDBDMN NC(=O)c1ccc(CN2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000072044679 406872523 /nfs/dbraw/zinc/87/25/23/406872523.db2.gz HRRSCRZAABYUGE-CYBMUJFWSA-N 0 1 307.350 1.431 20 5 DDBDMN Cc1nn(C)c(NCCCN2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000051649967 407142470 /nfs/dbraw/zinc/14/24/70/407142470.db2.gz SVILUDKIEIQYDL-GHMZBOCLSA-N 0 1 311.386 1.548 20 5 DDBDMN Cc1cnc([C@@H](C)NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000124395976 407357129 /nfs/dbraw/zinc/35/71/29/407357129.db2.gz GRRUOMOMMHTQQB-MWLCHTKSSA-N 0 1 311.367 1.268 20 5 DDBDMN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178647086 407527610 /nfs/dbraw/zinc/52/76/10/407527610.db2.gz HYTXBTWEEIIIAI-QMMMGPOBSA-N 0 1 305.256 1.924 20 5 DDBDMN CC[C@H]1CN(c2cc(OC)ccc2[N+](=O)[O-])CCN1C[C@H](C)O ZINC000266397159 407537318 /nfs/dbraw/zinc/53/73/18/407537318.db2.gz OXUDAIOITGXYOQ-STQMWFEESA-N 0 1 323.393 1.885 20 5 DDBDMN CC(C)(O)C(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000272099358 407775834 /nfs/dbraw/zinc/77/58/34/407775834.db2.gz WQSSRNWEFIVYAO-UHFFFAOYSA-N 0 1 320.342 1.562 20 5 DDBDMN C[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000187436475 407857511 /nfs/dbraw/zinc/85/75/11/407857511.db2.gz DZQTUDSYOUPWEN-DOMZBBRYSA-N 0 1 321.377 1.950 20 5 DDBDMN CCOc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153659142 407871782 /nfs/dbraw/zinc/87/17/82/407871782.db2.gz YXVLOXBYELDIFB-PHIMTYICSA-N 0 1 307.350 1.816 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000262687544 407900418 /nfs/dbraw/zinc/90/04/18/407900418.db2.gz YJALAXDJSGEUES-NXEZZACHSA-N 0 1 307.306 1.328 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000262687544 407900422 /nfs/dbraw/zinc/90/04/22/407900422.db2.gz YJALAXDJSGEUES-NXEZZACHSA-N 0 1 307.306 1.328 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000262691477 407901408 /nfs/dbraw/zinc/90/14/08/407901408.db2.gz ZLSHHUWMFLIASX-MNOVXSKESA-N 0 1 321.333 1.637 20 5 DDBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000153962724 407943235 /nfs/dbraw/zinc/94/32/35/407943235.db2.gz TZMOLVKYLBOCPY-HNNXBMFYSA-N 0 1 305.378 1.936 20 5 DDBDMN CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272579693 407990896 /nfs/dbraw/zinc/99/08/96/407990896.db2.gz QGPNFKPUGNOGIF-YGRLFVJLSA-N 0 1 308.334 1.924 20 5 DDBDMN COCCOC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154328019 408022032 /nfs/dbraw/zinc/02/20/32/408022032.db2.gz KRPMZFPZIOHFJL-MRXNPFEDSA-N 0 1 324.377 1.756 20 5 DDBDMN COCCCN(CCOC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269275692 408245313 /nfs/dbraw/zinc/24/53/13/408245313.db2.gz IOZKPOKSNPKVFS-UHFFFAOYSA-N 0 1 312.322 1.426 20 5 DDBDMN NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269297146 408256637 /nfs/dbraw/zinc/25/66/37/408256637.db2.gz RZUQEPBZZFGWPI-NEPJUHHUSA-N 0 1 307.306 1.074 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCN(C(C)=O)C1 ZINC000156522995 408261758 /nfs/dbraw/zinc/26/17/58/408261758.db2.gz CXHYPRISOWDQAD-CYBMUJFWSA-N 0 1 321.377 1.904 20 5 DDBDMN CO[C@H](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000263821917 408274558 /nfs/dbraw/zinc/27/45/58/408274558.db2.gz QIWILBMVHLGVEV-MRVPVSSYSA-N 0 1 306.315 1.437 20 5 DDBDMN CCc1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000158618502 408349515 /nfs/dbraw/zinc/34/95/15/408349515.db2.gz LMBCKSHUPQJVBJ-UHFFFAOYSA-N 0 1 316.365 1.598 20 5 DDBDMN CCOC(=O)c1cc(NC(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000183291699 408373610 /nfs/dbraw/zinc/37/36/10/408373610.db2.gz IOHAABYPCKFHDQ-UHFFFAOYSA-N 0 1 310.291 1.808 20 5 DDBDMN Cc1cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000183398040 408399221 /nfs/dbraw/zinc/39/92/21/408399221.db2.gz MLEUECKGHUMMSR-VIFPVBQESA-N 0 1 304.310 1.292 20 5 DDBDMN CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000176759803 408434062 /nfs/dbraw/zinc/43/40/62/408434062.db2.gz UXOHBHYWXMDKLR-NSHDSACASA-N 0 1 320.309 1.144 20 5 DDBDMN CC(C)(O)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274773203 408526745 /nfs/dbraw/zinc/52/67/45/408526745.db2.gz WUTSEUZSOFQSCN-UHFFFAOYSA-N 0 1 306.315 1.173 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274797112 408535726 /nfs/dbraw/zinc/53/57/26/408535726.db2.gz ZSUSEYMNEPEXGK-STQMWFEESA-N 0 1 305.334 1.657 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274797107 408536458 /nfs/dbraw/zinc/53/64/58/408536458.db2.gz ZSUSEYMNEPEXGK-QWHCGFSZSA-N 0 1 305.334 1.657 20 5 DDBDMN COc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000192795124 408648728 /nfs/dbraw/zinc/64/87/28/408648728.db2.gz OHIPZHYPJABUSW-VXGBXAGGSA-N 0 1 309.366 1.495 20 5 DDBDMN O=C1CCCN1[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000270827426 408696810 /nfs/dbraw/zinc/69/68/10/408696810.db2.gz CDHJAPFWEPRQCH-AWEZNQCLSA-N 0 1 319.361 1.670 20 5 DDBDMN CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195085946 408811689 /nfs/dbraw/zinc/81/16/89/408811689.db2.gz JGXDKWKLDDBWBZ-NSHDSACASA-N 0 1 324.381 1.936 20 5 DDBDMN CCS(=O)(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163496210 408778955 /nfs/dbraw/zinc/77/89/55/408778955.db2.gz BXRHUZJIFKILEP-LLVKDONJSA-N 0 1 300.380 1.989 20 5 DDBDMN CCS(=O)(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163505410 408780161 /nfs/dbraw/zinc/78/01/61/408780161.db2.gz WFNZHRHTAAAXDK-LLVKDONJSA-N 0 1 300.380 1.989 20 5 DDBDMN CCOCCOCCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000276456676 408861397 /nfs/dbraw/zinc/86/13/97/408861397.db2.gz HOYKKYJJGVRDKY-UHFFFAOYSA-N 0 1 314.342 1.005 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000285797866 408865742 /nfs/dbraw/zinc/86/57/42/408865742.db2.gz MJWUSFLQWAKOFJ-QWRGUYRKSA-N 0 1 308.338 1.664 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000285797862 408866342 /nfs/dbraw/zinc/86/63/42/408866342.db2.gz MJWUSFLQWAKOFJ-MNOVXSKESA-N 0 1 308.338 1.664 20 5 DDBDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000285950825 408894492 /nfs/dbraw/zinc/89/44/92/408894492.db2.gz WFGOMSVIZARPLH-BDAKNGLRSA-N 0 1 323.334 1.377 20 5 DDBDMN C[C@H]1C[C@H](N2CCOCC2)CN1Cc1ccccc1[N+](=O)[O-] ZINC000286071923 408918565 /nfs/dbraw/zinc/91/85/65/408918565.db2.gz RWIARSIEYIOKTP-ZFWWWQNUSA-N 0 1 305.378 1.890 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])n[nH]1 ZINC000286386667 408975052 /nfs/dbraw/zinc/97/50/52/408975052.db2.gz NKXXKEJQJQAHBA-LURJTMIESA-N 0 1 307.314 1.359 20 5 DDBDMN Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000288132630 409151254 /nfs/dbraw/zinc/15/12/54/409151254.db2.gz AXGHREWJZLUPNG-AWEZNQCLSA-N 0 1 321.377 1.480 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C1CC1 ZINC000279231742 409175123 /nfs/dbraw/zinc/17/51/23/409175123.db2.gz RLXPGRAMGNLHQB-HNNXBMFYSA-N 0 1 303.362 1.880 20 5 DDBDMN COC[C@H]1CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295670326 409362547 /nfs/dbraw/zinc/36/25/47/409362547.db2.gz ODCSUYOXSCIMFY-GFCCVEGCSA-N 0 1 316.317 1.846 20 5 DDBDMN CC[C@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000295958490 409384148 /nfs/dbraw/zinc/38/41/48/409384148.db2.gz JEUNAWXSGVBCJM-JTQLQIEISA-N 0 1 307.354 1.009 20 5 DDBDMN CC(C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000303989108 409561016 /nfs/dbraw/zinc/56/10/16/409561016.db2.gz KJPVPQOYTVXXDL-GFCCVEGCSA-N 0 1 309.366 1.649 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[C@@H](F)C1 ZINC000344884947 409545556 /nfs/dbraw/zinc/54/55/56/409545556.db2.gz AJCUNGAGPKXWCO-SFYZADRCSA-N 0 1 306.290 1.903 20 5 DDBDMN CCc1nn(C)cc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356801029 409620448 /nfs/dbraw/zinc/62/04/48/409620448.db2.gz ZTLUUWHHIIVGFA-UHFFFAOYSA-N 0 1 304.306 1.526 20 5 DDBDMN CCOC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342302231 409570334 /nfs/dbraw/zinc/57/03/34/409570334.db2.gz FGEMRKBBQFLQSH-LLVKDONJSA-N 0 1 316.379 1.383 20 5 DDBDMN C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000356867442 409676990 /nfs/dbraw/zinc/67/69/90/409676990.db2.gz YRBZYJRZROCSEU-MNOVXSKESA-N 0 1 309.341 1.827 20 5 DDBDMN CCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000296885148 409686345 /nfs/dbraw/zinc/68/63/45/409686345.db2.gz NLEQJBHAIMKPOX-UHFFFAOYSA-N 0 1 320.309 1.606 20 5 DDBDMN O=C(N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000338296049 409884101 /nfs/dbraw/zinc/88/41/01/409884101.db2.gz QGGFPUUPWZIFJO-OLZOCXBDSA-N 0 1 319.317 1.184 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCN1C ZINC000357663688 410171987 /nfs/dbraw/zinc/17/19/87/410171987.db2.gz LZSLZOLLHHSKLM-GFCCVEGCSA-N 0 1 313.379 1.276 20 5 DDBDMN COCCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351970481 410382807 /nfs/dbraw/zinc/38/28/07/410382807.db2.gz CTNODAMHHHNLCF-UHFFFAOYSA-N 0 1 309.366 1.367 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000343355446 410386894 /nfs/dbraw/zinc/38/68/94/410386894.db2.gz WIFYQIVKDMKUGC-ZETCQYMHSA-N 0 1 307.285 1.580 20 5 DDBDMN O=C1[C@@H](N2CCC[C@H](O)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000339782699 410459443 /nfs/dbraw/zinc/45/94/43/410459443.db2.gz HESNXNCXLGUGCK-GJZGRUSLSA-N 0 1 319.361 1.547 20 5 DDBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCn2c(=O)[nH]nc2C1 ZINC000347364774 410499549 /nfs/dbraw/zinc/49/95/49/410499549.db2.gz CUVDDJHXFRIUEG-XFFZJAGNSA-N 0 1 315.333 1.811 20 5 DDBDMN Cc1cccc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000352142286 410508056 /nfs/dbraw/zinc/50/80/56/410508056.db2.gz UOKBXPZAXYIKKD-UHFFFAOYSA-N 0 1 301.302 1.976 20 5 DDBDMN O=C(NCc1nnc[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000299190799 410561275 /nfs/dbraw/zinc/56/12/75/410561275.db2.gz GRWNIBUYOSEZJZ-UHFFFAOYSA-N 0 1 316.321 1.243 20 5 DDBDMN CC(C)(C(N)=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330458971 410709170 /nfs/dbraw/zinc/70/91/70/410709170.db2.gz SLCURUQMLOULEQ-UHFFFAOYSA-N 0 1 322.365 1.732 20 5 DDBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1nnc[nH]1 ZINC000340149570 410710464 /nfs/dbraw/zinc/71/04/64/410710464.db2.gz FPEBPGRGOICZJB-UHFFFAOYSA-N 0 1 300.278 1.053 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]2c2ccccc2)c1 ZINC000353046449 410755408 /nfs/dbraw/zinc/75/54/08/410755408.db2.gz AROHVGADWQJTLB-GJZGRUSLSA-N 0 1 302.334 1.599 20 5 DDBDMN CCc1cc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC000359631125 410783346 /nfs/dbraw/zinc/78/33/46/410783346.db2.gz GPCYPDBUBZRPOP-UHFFFAOYSA-N 0 1 316.317 1.915 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000330572849 410787410 /nfs/dbraw/zinc/78/74/10/410787410.db2.gz DTAOXANNMQNKOY-QWHCGFSZSA-N 0 1 320.393 1.866 20 5 DDBDMN Cc1c(CC(=O)N2CCN(C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000330628563 410837404 /nfs/dbraw/zinc/83/74/04/410837404.db2.gz LSAIBLVRRMKWLC-QWHCGFSZSA-N 0 1 305.378 1.997 20 5 DDBDMN CCc1ccc(C(=O)NC2(c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000348297866 410906940 /nfs/dbraw/zinc/90/69/40/410906940.db2.gz MDKPCFOHEDVRHI-UHFFFAOYSA-N 0 1 302.294 1.089 20 5 DDBDMN CN(C(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344085597 410946560 /nfs/dbraw/zinc/94/65/60/410946560.db2.gz SLPDWASCHPXQQN-TUKIKUTGSA-N 0 1 319.361 1.260 20 5 DDBDMN CN(C[C@@H]1CCC[C@H]1O)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000129196825 196028063 /nfs/dbraw/zinc/02/80/63/196028063.db2.gz NKUMOTPDWFMRKZ-TVQRCGJNSA-N 0 1 318.333 1.704 20 5 DDBDMN CN(C)C(=O)O[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776092 226220493 /nfs/dbraw/zinc/22/04/93/226220493.db2.gz PYVCSRWNPPBLFU-CQSZACIVSA-N 0 1 323.349 1.746 20 5 DDBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000366597764 418494254 /nfs/dbraw/zinc/49/42/54/418494254.db2.gz VDYMIOUNMVACLX-CQSZACIVSA-N 0 1 310.354 1.061 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367638153 418618000 /nfs/dbraw/zinc/61/80/00/418618000.db2.gz RVAPJEWJPCHGQO-QPSCCSFWSA-N 0 1 304.346 1.276 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2noc(NCC(F)(F)CO)n2)cc1 ZINC000341547312 418625591 /nfs/dbraw/zinc/62/55/91/418625591.db2.gz HRQMKMSAQKQSJP-UHFFFAOYSA-N 0 1 300.221 1.684 20 5 DDBDMN CCO[C@H]1COCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000362019683 418740293 /nfs/dbraw/zinc/74/02/93/418740293.db2.gz VOSBJXDNBKUJSD-HIFRSBDPSA-N 0 1 310.350 1.887 20 5 DDBDMN C[C@@H](CO)N1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000364985495 418829253 /nfs/dbraw/zinc/82/92/53/418829253.db2.gz QYMHSAMEYILDQI-JTQLQIEISA-N 0 1 315.320 1.766 20 5 DDBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000364874735 418819651 /nfs/dbraw/zinc/81/96/51/418819651.db2.gz CVIPMONEPOQFQD-MCIONIFRSA-N 0 1 319.361 1.599 20 5 DDBDMN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000372307231 418854322 /nfs/dbraw/zinc/85/43/22/418854322.db2.gz JRQPZCDNXALCJB-HUUCEWRRSA-N 0 1 302.330 1.482 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCCO[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000373056419 418925358 /nfs/dbraw/zinc/92/53/58/418925358.db2.gz HNQWKODDZFRKNF-MNOVXSKESA-N 0 1 308.338 1.664 20 5 DDBDMN Cc1c([C@H](C)N[C@@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000424314197 228258084 /nfs/dbraw/zinc/25/80/84/228258084.db2.gz KQAUJJZHRAVJJS-CMPLNLGQSA-N 0 1 305.334 1.701 20 5 DDBDMN CC[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](CC)O1 ZINC000420960103 419384791 /nfs/dbraw/zinc/38/47/91/419384791.db2.gz RCCAWLUXPIEGAV-MELADBBJSA-N 0 1 312.370 1.042 20 5 DDBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1CCO ZINC000418118631 419546841 /nfs/dbraw/zinc/54/68/41/419546841.db2.gz TVCCGWBNOQIJHB-VXGBXAGGSA-N 0 1 311.357 1.621 20 5 DDBDMN Cc1nc([C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)n[nH]1 ZINC000413558957 419788438 /nfs/dbraw/zinc/78/84/38/419788438.db2.gz XKEKRHJVRLXTNN-VIFPVBQESA-N 0 1 313.321 1.892 20 5 DDBDMN Cc1nnc([C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)[nH]1 ZINC000413558957 419788445 /nfs/dbraw/zinc/78/84/45/419788445.db2.gz XKEKRHJVRLXTNN-VIFPVBQESA-N 0 1 313.321 1.892 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428033907 419792967 /nfs/dbraw/zinc/79/29/67/419792967.db2.gz BCVOELILFDCFIR-UHFFFAOYSA-N 0 1 304.241 1.596 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H](C)O)CC1 ZINC000430245286 420094477 /nfs/dbraw/zinc/09/44/77/420094477.db2.gz RNYBDYPZDGZABA-GFCCVEGCSA-N 0 1 309.366 1.102 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000436730934 420360346 /nfs/dbraw/zinc/36/03/46/420360346.db2.gz YYWZJTQKJITPIJ-CYBMUJFWSA-N 0 1 307.350 1.713 20 5 DDBDMN CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436957766 420386932 /nfs/dbraw/zinc/38/69/32/420386932.db2.gz XOJXZIIUWUHMFO-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN CO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCC2 ZINC000456605953 420511919 /nfs/dbraw/zinc/51/19/19/420511919.db2.gz CQGBIHRLFXMVFN-VHSXEESVSA-N 0 1 308.338 1.656 20 5 DDBDMN CC[C@H](O)[C@H](CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456639904 420520179 /nfs/dbraw/zinc/52/01/79/420520179.db2.gz WMOMKABNBQJCNX-JQWIXIFHSA-N 0 1 306.322 1.750 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2C[C@@H](OC)C23CCC3)c1[N+](=O)[O-] ZINC000456666240 420525529 /nfs/dbraw/zinc/52/55/29/420525529.db2.gz WWVOJWYGVQMXIH-GHMZBOCLSA-N 0 1 322.365 1.910 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000456999717 420583913 /nfs/dbraw/zinc/58/39/13/420583913.db2.gz TZFMPFHETRXMKR-LBPRGKRZSA-N 0 1 315.333 1.413 20 5 DDBDMN Cn1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447580579 420784445 /nfs/dbraw/zinc/78/44/45/420784445.db2.gz PBYWFKWJUHFUHI-CHWSQXEVSA-N 0 1 304.354 1.798 20 5 DDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(C(N)=O)no1 ZINC000449241047 420974199 /nfs/dbraw/zinc/97/41/99/420974199.db2.gz QSZZSXBRDVKKFC-VIFPVBQESA-N 0 1 304.306 1.403 20 5 DDBDMN COC[C@]1(CO)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449696754 421061034 /nfs/dbraw/zinc/06/10/34/421061034.db2.gz LDYWPVXYQBURSA-DQOPKJQZSA-N 0 1 306.362 1.939 20 5 DDBDMN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496479662 421261525 /nfs/dbraw/zinc/26/15/25/421261525.db2.gz IHPLDHUPCLKUJC-GMTAPVOTSA-N 0 1 313.354 1.167 20 5 DDBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000538226553 421737951 /nfs/dbraw/zinc/73/79/51/421737951.db2.gz PXBLXEHNWFINLJ-SSDOTTSWSA-N 0 1 308.323 1.189 20 5 DDBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(C)C)n2)n[nH]1 ZINC000575935433 422349940 /nfs/dbraw/zinc/34/99/40/422349940.db2.gz SZBLRVLSEABPSE-QMMMGPOBSA-N 0 1 306.326 2.377 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000577760718 422424819 /nfs/dbraw/zinc/42/48/19/422424819.db2.gz NTSWIIYZQBEUIA-VIFPVBQESA-N 0 1 304.306 1.768 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000577760718 422424825 /nfs/dbraw/zinc/42/48/25/422424825.db2.gz NTSWIIYZQBEUIA-VIFPVBQESA-N 0 1 304.306 1.768 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN2CCC2)c1 ZINC000344941170 272142042 /nfs/dbraw/zinc/14/20/42/272142042.db2.gz DIJJOOICDBRTDY-UHFFFAOYSA-N 0 1 307.350 1.494 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1C ZINC000345964277 272376888 /nfs/dbraw/zinc/37/68/88/272376888.db2.gz QGPUQGUHNXXJDB-GHMZBOCLSA-N 0 1 323.397 1.996 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000346612456 272500901 /nfs/dbraw/zinc/50/09/01/272500901.db2.gz WWXHVFVZCNGLQW-UHFFFAOYSA-N 0 1 321.318 1.122 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC000302117766 274000733 /nfs/dbraw/zinc/00/07/33/274000733.db2.gz DPBDNWXCRVMKHY-UHFFFAOYSA-N 0 1 324.293 1.040 20 5 DDBDMN C[C@@H]1CN(CCO)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000450955071 274348763 /nfs/dbraw/zinc/34/87/63/274348763.db2.gz PEQFRNKCTYIOQY-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000331222801 276040730 /nfs/dbraw/zinc/04/07/30/276040730.db2.gz VWDGZNAVKVWCDF-NSHDSACASA-N 0 1 323.397 1.854 20 5 DDBDMN CCOc1cccc(N2CCN(C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000273152702 276381265 /nfs/dbraw/zinc/38/12/65/276381265.db2.gz IGQHTGFELDVGAI-OLZOCXBDSA-N 0 1 323.393 1.885 20 5 DDBDMN COC(C)(C)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459516547 277458395 /nfs/dbraw/zinc/45/83/95/277458395.db2.gz VNOIWXSNTWLALA-UHFFFAOYSA-N 0 1 308.382 1.927 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCOC[C@]23CCOC3)c1[N+](=O)[O-] ZINC000282063466 278000442 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CN(C)C1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000295566881 282053533 /nfs/dbraw/zinc/05/35/33/282053533.db2.gz QVLINNULHRFREZ-UHFFFAOYSA-N 0 1 317.267 2.000 20 5 DDBDMN CCC[NH+]1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000361864547 299951590 /nfs/dbraw/zinc/95/15/90/299951590.db2.gz AYZUMHRWLFUIBX-UHFFFAOYSA-N 0 1 308.338 1.300 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000363138095 300217890 /nfs/dbraw/zinc/21/78/90/300217890.db2.gz NLKMPGUYBKJLLS-HZSPNIEDSA-N 0 1 317.345 1.306 20 5 DDBDMN COc1cccc(N2CCC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000363216972 300233132 /nfs/dbraw/zinc/23/31/32/300233132.db2.gz JRXFYIGDEHZRKI-GLQYFDAESA-N 0 1 319.361 1.445 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(COc2ccccn2)CC1 ZINC000363651177 300292690 /nfs/dbraw/zinc/29/26/90/300292690.db2.gz KLGNFANQQVUBAD-STQMWFEESA-N 0 1 305.334 1.364 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000368952733 301109585 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CN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000535330000 303346552 /nfs/dbraw/zinc/34/65/52/303346552.db2.gz NXSFVVGNTOSKBY-UHFFFAOYSA-N 0 1 307.306 1.101 20 5 DDBDMN COC(=O)C[C@@]1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000362284550 307015978 /nfs/dbraw/zinc/01/59/78/307015978.db2.gz ZWXJTRNKNHDSQQ-HNNXBMFYSA-N 0 1 324.333 1.415 20 5 DDBDMN CC(C)n1ncc2c1[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000364029656 307040073 /nfs/dbraw/zinc/04/00/73/307040073.db2.gz NOEZZWFBCFAQGZ-SNVBAGLBSA-N 0 1 318.337 1.903 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000364248137 307044827 /nfs/dbraw/zinc/04/48/27/307044827.db2.gz DWAGGBWXWRASSI-VXGBXAGGSA-N 0 1 315.333 1.101 20 5 DDBDMN O=[N+]([O-])c1cnn([C@@H]2CCCN(CCOCC(F)F)C2)c1 ZINC000365295491 307064046 /nfs/dbraw/zinc/06/40/46/307064046.db2.gz XSYRZXASBSABMF-SNVBAGLBSA-N 0 1 304.297 1.710 20 5 DDBDMN CCc1nnc(-c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)o1 ZINC000369817717 307128693 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DDBDMN Cc1cc(NCC[NH+]2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582668513 337118602 /nfs/dbraw/zinc/11/86/02/337118602.db2.gz CLUPRXYAXPDUCM-UHFFFAOYSA-N 0 1 322.365 1.261 20 5 DDBDMN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1CCO ZINC000302378944 533977204 /nfs/dbraw/zinc/97/72/04/533977204.db2.gz GFOQDYAOEUPNJG-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000330787787 534302733 /nfs/dbraw/zinc/30/27/33/534302733.db2.gz PTAVYQPDUYVVBD-BETUJISGSA-N 0 1 320.393 1.948 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000491550176 534330809 /nfs/dbraw/zinc/33/08/09/534330809.db2.gz YYZOOKYFYJBTRP-AATRIKPKSA-N 0 1 301.306 1.393 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCCO1 ZINC000299381921 534886306 /nfs/dbraw/zinc/88/63/06/534886306.db2.gz HIDVBFQNIWYHAZ-VIFPVBQESA-N 0 1 318.326 1.581 20 5 DDBDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000739587898 600440676 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20 5 DDBDMN CC[C@H]1CCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599259248 357864831 /nfs/dbraw/zinc/86/48/31/357864831.db2.gz XHVNVAJJGAQUJG-DTWKUNHWSA-N 0 1 302.356 1.185 20 5 DDBDMN CC[C@@H](C[NH+]1CCCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618375119 363612789 /nfs/dbraw/zinc/61/27/89/363612789.db2.gz VOCCVWOJWMFQQX-NSHDSACASA-N 0 1 308.338 1.300 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(c3ccccc3)C2)c1 ZINC000601965239 358756012 /nfs/dbraw/zinc/75/60/12/358756012.db2.gz RZQPUJJZOWDFAF-OAHLLOKOSA-N 0 1 302.334 1.252 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000601971447 358759625 /nfs/dbraw/zinc/75/96/25/358759625.db2.gz BNMNUYMFGBAXHP-TXEJJXNPSA-N 0 1 316.317 1.723 20 5 DDBDMN C[C@H]1CN(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602545319 359037306 /nfs/dbraw/zinc/03/73/06/359037306.db2.gz PJCAXHXCUUTKDH-NSHDSACASA-N 0 1 320.349 1.546 20 5 DDBDMN CNC(=O)CC[C@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831418 359223531 /nfs/dbraw/zinc/22/35/31/359223531.db2.gz XMCZMSJOYGJBJU-GFCCVEGCSA-N 0 1 309.370 1.209 20 5 DDBDMN C[N@@H+]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000603143291 359432626 /nfs/dbraw/zinc/43/26/26/359432626.db2.gz SFFPBBSFUOOGHG-LBPRGKRZSA-N 0 1 322.365 1.498 20 5 DDBDMN C[N@H+]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000603143291 359432629 /nfs/dbraw/zinc/43/26/29/359432629.db2.gz SFFPBBSFUOOGHG-LBPRGKRZSA-N 0 1 322.365 1.498 20 5 DDBDMN O=C([O-])[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186919739 200031607 /nfs/dbraw/zinc/03/16/07/200031607.db2.gz CWAHFFQYEKVUAN-GRYCIOLGSA-N 0 1 308.338 1.509 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000610005580 360373846 /nfs/dbraw/zinc/37/38/46/360373846.db2.gz WVNOWUVCWKGZBG-UHFFFAOYSA-N 0 1 310.335 1.413 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH]nn2)cc1OC ZINC000610488616 360450191 /nfs/dbraw/zinc/45/01/91/360450191.db2.gz UWPLAKKRQBUJBQ-UHFFFAOYSA-N 0 1 321.293 1.050 20 5 DDBDMN Cc1nc([C@@H]2CN(c3cc(C)ccc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000610677605 360502110 /nfs/dbraw/zinc/50/21/10/360502110.db2.gz BFJBELUGQYWOJE-ZDUSSCGKSA-N 0 1 303.322 1.908 20 5 DDBDMN Cn1cc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000611973670 360877383 /nfs/dbraw/zinc/87/73/83/360877383.db2.gz WUTIZXFBBIRCLS-CQSZACIVSA-N 0 1 301.350 1.834 20 5 DDBDMN CN(Cc1cn[nH]c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612108172 360921927 /nfs/dbraw/zinc/92/19/27/360921927.db2.gz QKZYCFKIEDMEAN-GFCCVEGCSA-N 0 1 306.322 1.190 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1C(F)(F)F ZINC000613969124 361643757 /nfs/dbraw/zinc/64/37/57/361643757.db2.gz SMUULJQTNBXGLZ-SNVBAGLBSA-N 0 1 320.223 1.704 20 5 DDBDMN CCC[C@H]1CNCCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000359229386 299366487 /nfs/dbraw/zinc/36/64/87/299366487.db2.gz OSHJDXSCTQNCLK-ZDUSSCGKSA-N 0 1 320.393 1.997 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(CC2CCC2)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000275293455 212253673 /nfs/dbraw/zinc/25/36/73/212253673.db2.gz XLNKDPMHCPWAOS-JTQLQIEISA-N 0 1 324.381 1.894 20 5 DDBDMN CCOc1cc(N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566298535 304141466 /nfs/dbraw/zinc/14/14/66/304141466.db2.gz ZZTXLJCTYUQPRK-LLVKDONJSA-N 0 1 323.349 1.446 20 5 DDBDMN COc1ccc(OCC[N@H+]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262679797 203377398 /nfs/dbraw/zinc/37/73/98/203377398.db2.gz SGYKEFNCELQIAD-LLVKDONJSA-N 0 1 324.333 1.779 20 5 DDBDMN CC[C@](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)(C(N)=O)C(C)C ZINC000274886650 212010660 /nfs/dbraw/zinc/01/06/60/212010660.db2.gz BWNNLSSAMSUNDC-CQSZACIVSA-N 0 1 309.322 1.320 20 5 DDBDMN CN(Cc1nnc[nH]1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000267911428 206332582 /nfs/dbraw/zinc/33/25/82/206332582.db2.gz LWOIHBHDXJIMKD-UHFFFAOYSA-N 0 1 316.321 1.242 20 5 DDBDMN CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000334002648 249175840 /nfs/dbraw/zinc/17/58/40/249175840.db2.gz HLTLBQRCPKRVJT-GXFFZTMASA-N 0 1 307.350 1.759 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)F)CC2)c(F)c1 ZINC000337040309 249325772 /nfs/dbraw/zinc/32/57/72/249325772.db2.gz IPQMZIZMIPOBMY-UHFFFAOYSA-N 0 1 310.253 1.810 20 5 DDBDMN COCCO[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338957764 250218150 /nfs/dbraw/zinc/21/81/50/250218150.db2.gz OXRDYKGLHUFRMH-AWEZNQCLSA-N 0 1 310.350 1.928 20 5 DDBDMN COCCO[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338957764 250218152 /nfs/dbraw/zinc/21/81/52/250218152.db2.gz OXRDYKGLHUFRMH-AWEZNQCLSA-N 0 1 310.350 1.928 20 5 DDBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284931010 218240704 /nfs/dbraw/zinc/24/07/04/218240704.db2.gz JBRVTSIGGDWBEG-GFCCVEGCSA-N 0 1 315.333 1.322 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[n-]1 ZINC000284931010 218240706 /nfs/dbraw/zinc/24/07/06/218240706.db2.gz JBRVTSIGGDWBEG-GFCCVEGCSA-N 0 1 315.333 1.322 20 5 DDBDMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[n-]1 ZINC000284931010 218240709 /nfs/dbraw/zinc/24/07/09/218240709.db2.gz JBRVTSIGGDWBEG-GFCCVEGCSA-N 0 1 315.333 1.322 20 5 DDBDMN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1=O ZINC000285366198 218399012 /nfs/dbraw/zinc/39/90/12/218399012.db2.gz VTTOLTXSUIMPFT-GXFFZTMASA-N 0 1 306.366 1.837 20 5 DDBDMN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000288594434 220272202 /nfs/dbraw/zinc/27/22/02/220272202.db2.gz YEZCUAIJQYNCKY-PWSUYJOCSA-N 0 1 320.349 1.394 20 5 DDBDMN CCCc1n[nH]c(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000268999779 207155734 /nfs/dbraw/zinc/15/57/34/207155734.db2.gz QMQVFRKVHULFIE-SECBINFHSA-N 0 1 318.337 1.801 20 5 DDBDMN CNc1nc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)ccc1[N+](=O)[O-] ZINC000455998232 533078878 /nfs/dbraw/zinc/07/88/78/533078878.db2.gz VZGFAAUQDCQKTN-MRVPVSSYSA-N 0 1 318.337 1.424 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CN(C)C ZINC000286521632 219034991 /nfs/dbraw/zinc/03/49/91/219034991.db2.gz AYTJHSWDGBCFDV-JTQLQIEISA-N 0 1 301.368 1.132 20 5 DDBDMN Cc1[nH+]ccn1CCCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567977767 304257621 /nfs/dbraw/zinc/25/76/21/304257621.db2.gz LRRSZOIKYFHGJQ-UHFFFAOYSA-N 0 1 319.321 1.719 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCC[C@@H]1O ZINC000352660394 285205003 /nfs/dbraw/zinc/20/50/03/285205003.db2.gz NUEHBPXFQUBLAS-YPMHNXCESA-N 0 1 307.350 1.687 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCN[C@H](C)C1 ZINC000417190237 533221145 /nfs/dbraw/zinc/22/11/45/533221145.db2.gz XWASBIJPCKXNMR-SNVBAGLBSA-N 0 1 308.338 1.107 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000414662803 533226044 /nfs/dbraw/zinc/22/60/44/533226044.db2.gz ZSEZLYUJEHBNKU-PHIMTYICSA-N 0 1 320.349 1.962 20 5 DDBDMN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543172 533237813 /nfs/dbraw/zinc/23/78/13/533237813.db2.gz BDKDARNXQCSYSH-JQWIXIFHSA-N 0 1 320.349 1.358 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000076381099 406966259 /nfs/dbraw/zinc/96/62/59/406966259.db2.gz DRIUFUUYFCQCHA-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN CC(=O)c1ccc(N[C@H](C)CN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000078543672 407033288 /nfs/dbraw/zinc/03/32/88/407033288.db2.gz IZNSFHHVHZAYAN-GFCCVEGCSA-N 0 1 320.393 1.845 20 5 DDBDMN Nc1cc(N)nc(SCCOc2ccccc2[N+](=O)[O-])n1 ZINC000053451245 407169278 /nfs/dbraw/zinc/16/92/78/407169278.db2.gz RUVXDXATCQHXND-UHFFFAOYSA-N 0 1 307.335 1.720 20 5 DDBDMN C[NH+](C)CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000185673274 407475257 /nfs/dbraw/zinc/47/52/57/407475257.db2.gz NXFZAPQDUIPMFX-GFCCVEGCSA-N 0 1 324.381 1.792 20 5 DDBDMN C[C@@H](O)C[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000152995891 407730198 /nfs/dbraw/zinc/73/01/98/407730198.db2.gz DWWHCTPMIMPWSH-DOMZBBRYSA-N 0 1 321.377 1.793 20 5 DDBDMN CSC[C@@H](CCO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153082580 407750371 /nfs/dbraw/zinc/75/03/71/407750371.db2.gz SDUXYMSWBQQUGY-MRVPVSSYSA-N 0 1 324.362 1.315 20 5 DDBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)Cn1cccn1)C1CC1 ZINC000179241496 407762633 /nfs/dbraw/zinc/76/26/33/407762633.db2.gz SXTLWBTXCUOJAA-HNNXBMFYSA-N 0 1 316.361 1.817 20 5 DDBDMN C[C@@H](NCc1cc(=O)n2nccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000180399473 407882794 /nfs/dbraw/zinc/88/27/94/407882794.db2.gz GNSZXQDBOSXMFO-SNVBAGLBSA-N 0 1 313.317 1.782 20 5 DDBDMN C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000153818783 407911673 /nfs/dbraw/zinc/91/16/73/407911673.db2.gz BBNICOMBQOIIEM-WDEREUQCSA-N 0 1 307.350 1.855 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(CC)CCC(=O)OC)c1[N+](=O)[O-] ZINC000118947277 407965623 /nfs/dbraw/zinc/96/56/23/407965623.db2.gz ZWFMWXRXBIRSLZ-UHFFFAOYSA-N 0 1 312.326 1.296 20 5 DDBDMN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000272490746 407944607 /nfs/dbraw/zinc/94/46/07/407944607.db2.gz CFRGVLISUBIELH-GFCCVEGCSA-N 0 1 305.334 1.611 20 5 DDBDMN O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000272490746 407944613 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702194975 /nfs/dbraw/zinc/19/49/75/702194975.db2.gz VZMONOSZFWSAMS-NXEZZACHSA-N 0 1 315.228 1.679 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc(N(C)C)cc1 ZINC000840672080 702195660 /nfs/dbraw/zinc/19/56/60/702195660.db2.gz DBNMPMCPNYYDEJ-OASPWFOLSA-N 0 1 321.333 1.288 20 5 DDBDMN Cc1cc(-c2nnc(COC(=O)[C@@H]3CC3[N+](=O)[O-])o2)c(C)o1 ZINC000840672991 702196606 /nfs/dbraw/zinc/19/66/06/702196606.db2.gz VBDOGHSBLYOYSU-NXEZZACHSA-N 0 1 307.262 1.655 20 5 DDBDMN CC(C)n1ncc2cc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cnc21 ZINC000840674925 702199597 /nfs/dbraw/zinc/19/95/97/702199597.db2.gz STOBJGVQTKFKDE-VXGBXAGGSA-N 0 1 304.306 1.721 20 5 DDBDMN Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000841017756 702311656 /nfs/dbraw/zinc/31/16/56/702311656.db2.gz YVPXEJIKSGRHNQ-VXGBXAGGSA-N 0 1 314.301 1.255 20 5 DDBDMN CCc1nc([C@H](C)OC(=O)CCn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000849719354 703671639 /nfs/dbraw/zinc/67/16/39/703671639.db2.gz QGDGHDJCJNIJIU-QMMMGPOBSA-N 0 1 308.298 1.166 20 5 DDBDMN CCc1nc([C@@H](C)OC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000849723060 703672050 /nfs/dbraw/zinc/67/20/50/703672050.db2.gz MEICLEPKMUMXFA-MRVPVSSYSA-N 0 1 322.325 1.511 20 5 DDBDMN COc1cc(N2CCN(CCCCO)CC2)c([N+](=O)[O-])cc1C ZINC000853373064 704237279 /nfs/dbraw/zinc/23/72/79/704237279.db2.gz JRXCANQIDPULFX-UHFFFAOYSA-N 0 1 323.393 1.806 20 5 DDBDMN COCCN(CCF)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000855593065 704492927 /nfs/dbraw/zinc/49/29/27/704492927.db2.gz GREONBLRQOYSBA-UHFFFAOYSA-N 0 1 302.306 1.499 20 5 DDBDMN C[C@H](COc1c(F)cccc1F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855633756 704494008 /nfs/dbraw/zinc/49/40/08/704494008.db2.gz WRBGYALOZCXMMP-SOCHQFKDSA-N 0 1 300.261 1.514 20 5 DDBDMN C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[NH2+]1 ZINC000858631449 704737406 /nfs/dbraw/zinc/73/74/06/704737406.db2.gz DJMSRZVCLGMAQN-DTWKUNHWSA-N 0 1 317.342 1.153 20 5 DDBDMN C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000874833448 705191468 /nfs/dbraw/zinc/19/14/68/705191468.db2.gz NAEDGAHNPJUHDJ-OLZOCXBDSA-N 0 1 305.334 1.609 20 5 DDBDMN Cc1nn(CN(C)[C@H]2C[C@@H](C(N)=O)C2)c2ccc([N+](=O)[O-])cc12 ZINC000863322856 705901655 /nfs/dbraw/zinc/90/16/55/705901655.db2.gz RVKFRQWTGPESIL-KLPPZKSPSA-N 0 1 317.349 1.406 20 5 DDBDMN C[C@@H]1SCC[C@@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876944611 705933099 /nfs/dbraw/zinc/93/30/99/705933099.db2.gz RXDKIXMZYXSOGS-DUFXMDAXSA-N 0 1 309.391 1.779 20 5 DDBDMN CC(C)[C@@H](O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918633 706240897 /nfs/dbraw/zinc/24/08/97/706240897.db2.gz UJCOGMLPIIVXPN-AWEZNQCLSA-N 0 1 308.382 1.519 20 5 DDBDMN O=[N+]([O-])c1cc(CO)c(NCCN2CCC(O)CC2)cc1F ZINC000865861245 706546152 /nfs/dbraw/zinc/54/61/52/706546152.db2.gz MGAWFOBVGOEKSR-UHFFFAOYSA-N 0 1 313.329 1.095 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000880609105 707039083 /nfs/dbraw/zinc/03/90/83/707039083.db2.gz QJOGTHWXXNENRK-AOOOYVTPSA-N 0 1 309.370 1.435 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000837006307 707563303 /nfs/dbraw/zinc/56/33/03/707563303.db2.gz DCSRDGNOUXDCDR-WFASDCNBSA-N 0 1 321.377 1.571 20 5 DDBDMN O=C(COC1CCOCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837529573 707674008 /nfs/dbraw/zinc/67/40/08/707674008.db2.gz LVCJJDYKDFUWCD-UHFFFAOYSA-N 0 1 311.290 1.539 20 5 DDBDMN Cc1c(CNCC2(S(C)(=O)=O)CCC2)cccc1[N+](=O)[O-] ZINC000873118619 707737903 /nfs/dbraw/zinc/73/79/03/707737903.db2.gz OCINVSGJAQOMDD-UHFFFAOYSA-N 0 1 312.391 1.960 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000883598519 708034681 /nfs/dbraw/zinc/03/46/81/708034681.db2.gz JNDRGSAELUHLSG-ZDUSSCGKSA-N 0 1 306.366 1.797 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000894436809 711120116 /nfs/dbraw/zinc/12/01/16/711120116.db2.gz ULXFDDMFHHWNIF-GFCCVEGCSA-N 0 1 309.370 1.019 20 5 DDBDMN C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000895248269 711465028 /nfs/dbraw/zinc/46/50/28/711465028.db2.gz ZPOXDGLMTYDWIL-SKDRFNHKSA-N 0 1 313.789 1.111 20 5 DDBDMN O=C(NCCNCC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000905058724 711923077 /nfs/dbraw/zinc/92/30/77/711923077.db2.gz IXPOEYHXCHLCTR-UHFFFAOYSA-N 0 1 316.155 1.045 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1Cn1cc(CNC(C)C)nn1 ZINC000905807148 712151439 /nfs/dbraw/zinc/15/14/39/712151439.db2.gz IMOMVAWSNSAHHP-UHFFFAOYSA-N 0 1 305.338 1.741 20 5 DDBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000908123564 712693367 /nfs/dbraw/zinc/69/33/67/712693367.db2.gz CUROJBWGSDJAMX-XJKSGUPXSA-N 0 1 321.377 1.051 20 5 DDBDMN CN1CCC[C@H]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000917605647 713506461 /nfs/dbraw/zinc/50/64/61/713506461.db2.gz IDPRGSNBKIORPI-JTQLQIEISA-N 0 1 304.306 1.506 20 5 DDBDMN CC(C)C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2CC1 ZINC000967320158 718842275 /nfs/dbraw/zinc/84/22/75/718842275.db2.gz KKLPENGVTJLJFN-XJFOESAGSA-N 0 1 323.393 1.005 20 5 DDBDMN Cc1sccc1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000974101236 737376090 /nfs/dbraw/zinc/37/60/90/737376090.db2.gz HLPWZDPTKGIYSY-RBLKWDMZSA-N 0 1 323.374 1.099 20 5 DDBDMN O=C(N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1)c1cnn[nH]1 ZINC001059880627 741854011 /nfs/dbraw/zinc/85/40/11/741854011.db2.gz ULECJNXJEMPXFJ-DTORHVGOSA-N 0 1 302.294 1.086 20 5 DDBDMN CN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cc1c[nH]cn1 ZINC001101975012 742138393 /nfs/dbraw/zinc/13/83/93/742138393.db2.gz BRMWPBZPXRZTAK-UHFFFAOYSA-N 0 1 303.322 1.431 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)c2cnc[nH]2)c1 ZINC001187600510 744581623 /nfs/dbraw/zinc/58/16/23/744581623.db2.gz UNBXBHXXVUVODD-GFCCVEGCSA-N 0 1 306.278 1.250 20 5 DDBDMN C[C@H](O)[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001192490996 745795354 /nfs/dbraw/zinc/79/53/54/745795354.db2.gz XTNDZGZBUZBVPO-QWRGUYRKSA-N 0 1 318.333 1.848 20 5 DDBDMN CNC(=O)N[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001197748166 747257297 /nfs/dbraw/zinc/25/72/97/747257297.db2.gz FUHOXDCGGBAONO-LBPRGKRZSA-N 0 1 322.365 1.367 20 5 DDBDMN Nc1ccccc1S(=O)(=O)Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201224166 748450749 /nfs/dbraw/zinc/45/07/49/748450749.db2.gz JUMUYISVENPCNR-UHFFFAOYSA-N 0 1 309.303 1.683 20 5 DDBDMN CCC(CC)C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062584053 753149969 /nfs/dbraw/zinc/14/99/69/753149969.db2.gz BQFFNLHDGGERLK-VXGBXAGGSA-N 0 1 311.382 1.243 20 5 DDBDMN O=C([N-]C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)C(F)(F)F ZINC001169036041 762191811 /nfs/dbraw/zinc/19/18/11/762191811.db2.gz MTZWSWTYPZLGGP-ONGXEEELSA-N 0 1 323.315 1.575 20 5 DDBDMN COc1ccnc(N2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169040015 762194656 /nfs/dbraw/zinc/19/46/56/762194656.db2.gz WXZMLUJYUAPJGT-OLZOCXBDSA-N 0 1 321.381 1.053 20 5 DDBDMN CCCCCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989638 753901769 /nfs/dbraw/zinc/90/17/69/753901769.db2.gz LMMHWSNWYPWFNB-VXGBXAGGSA-N 0 1 311.382 1.387 20 5 DDBDMN [NH3+]CCON=c1[n-]c(C(F)(F)F)nc(Cl)c1[N+](=O)[O-] ZINC001156293695 762378950 /nfs/dbraw/zinc/37/89/50/762378950.db2.gz NYKSTAZCEHDXDK-UHFFFAOYSA-N 0 1 301.612 1.359 20 5 DDBDMN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC000823784947 758361586 /nfs/dbraw/zinc/36/15/86/758361586.db2.gz UIEZYFQHNVDZSL-HZMBPMFUSA-N 0 1 324.356 1.098 20 5 DDBDMN C/C=C(\C)C(=O)NC1(CC)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069367854 767995299 /nfs/dbraw/zinc/99/52/99/767995299.db2.gz DRFDIYOLYXRULY-UDLQBDOPSA-N 0 1 323.393 1.505 20 5 DDBDMN O=C(NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnn[nH]1 ZINC001057973629 766162721 /nfs/dbraw/zinc/16/27/21/766162721.db2.gz OWLFGAULTOBMKQ-UHFFFAOYSA-N 0 1 316.321 1.112 20 5 DDBDMN Cc1nocc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001133227862 769604410 /nfs/dbraw/zinc/60/44/10/769604410.db2.gz ORKYRHURHVCOHN-UHFFFAOYSA-N 0 1 304.306 1.411 20 5 DDBDMN C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC001136734532 772114886 /nfs/dbraw/zinc/11/48/86/772114886.db2.gz YOPWKGJRSXIQAT-HBNTYKKESA-N 0 1 315.370 1.413 20 5 DDBDMN O=C(CN1CCCC1)NCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001093652248 774951791 /nfs/dbraw/zinc/95/17/91/774951791.db2.gz LVXKIAQQNCVMGS-UHFFFAOYSA-N 0 1 310.329 1.358 20 5 DDBDMN O=C(CN1CCCC1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094434860 775860058 /nfs/dbraw/zinc/86/00/58/775860058.db2.gz VTIVRJDVMDOLHV-UHFFFAOYSA-N 0 1 324.356 1.748 20 5 DDBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCOC2)CC1 ZINC001173224866 777059533 /nfs/dbraw/zinc/05/95/33/777059533.db2.gz HLLUUNVAUXLRFI-YOEHRIQHSA-N 0 1 319.405 1.932 20 5 DDBDMN COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001116642479 780536154 /nfs/dbraw/zinc/53/61/54/780536154.db2.gz XCKZKYILTDCRMG-VXGBXAGGSA-N 0 1 308.290 1.372 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001118910785 781270308 /nfs/dbraw/zinc/27/03/08/781270308.db2.gz RGBYUSUBLKCAKJ-BFHYXJOUSA-N 0 1 317.345 1.604 20 5 DDBDMN CC(C)(C)N1CC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001119450846 781458124 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O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000827238441 705957850 /nfs/dbraw/zinc/95/78/50/705957850.db2.gz PHSYHRYQESWJFE-TZMCWYRMSA-N 0 1 316.317 1.545 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000827276332 705965859 /nfs/dbraw/zinc/96/58/59/705965859.db2.gz GIMIDMQJOJZZAS-YMTOWFKASA-N 0 1 318.333 1.407 20 5 DDBDMN C[C@](N)(C(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000877221738 706021593 /nfs/dbraw/zinc/02/15/93/706021593.db2.gz RZUAIPGSOZIKNV-CKYFFXLPSA-N 0 1 317.267 1.836 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000836948108 707553020 /nfs/dbraw/zinc/55/30/20/707553020.db2.gz XYOZIVQWMZZCNK-LBPRGKRZSA-N 0 1 306.366 1.733 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000836947560 707553100 /nfs/dbraw/zinc/55/31/00/707553100.db2.gz IZTRXDGKUCYRCE-JTQLQIEISA-N 0 1 324.356 1.872 20 5 DDBDMN CCOC(=O)[C@H]1NCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000873251530 707785061 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DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H]3CSC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000891190084 710120357 /nfs/dbraw/zinc/12/03/57/710120357.db2.gz YGSYRIKNGZPZPO-OQPBUACISA-N 0 1 310.379 1.705 20 5 DDBDMN COc1ccc(CNC2CC(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000892715537 710486681 /nfs/dbraw/zinc/48/66/81/710486681.db2.gz YDEMXCSFNASHJC-UHFFFAOYSA-N 0 1 314.363 1.269 20 5 DDBDMN C[C@H]1CN(CCCOC(=O)CCC(C)(C)[N+](=O)[O-])CCO1 ZINC000893386503 710627860 /nfs/dbraw/zinc/62/78/60/710627860.db2.gz VIFYRYXUALODBZ-LBPRGKRZSA-N 0 1 302.371 1.476 20 5 DDBDMN CN(C(=O)C1CC1)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000928480940 713210500 /nfs/dbraw/zinc/21/05/00/713210500.db2.gz YCZAMKGGMLRBTC-CHWSQXEVSA-N 0 1 303.318 1.663 20 5 DDBDMN CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1CO ZINC000894887644 711308915 /nfs/dbraw/zinc/30/89/15/711308915.db2.gz HPTMYPZNQHIIDG-NSHDSACASA-N 0 1 302.334 1.256 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000912456028 711335672 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IKCFMFGXINLLHL-UHFFFAOYSA-N 0 1 318.337 1.182 20 5 DDBDMN Cc1ccnc(NCCCNC(=O)c2[nH]ncc2F)c1[N+](=O)[O-] ZINC001094765033 776222101 /nfs/dbraw/zinc/22/21/01/776222101.db2.gz KKETYQYCVCGKPD-UHFFFAOYSA-N 0 1 322.300 1.392 20 5 DDBDMN COc1ccc(C(=O)N[C@@H](C)C2=NN(C)CC2=O)cc1[N+](=O)[O-] ZINC001179921047 779561341 /nfs/dbraw/zinc/56/13/41/779561341.db2.gz MNXOWIOELOVBDD-QMMMGPOBSA-N 0 1 320.305 1.534 20 5 DDBDMN O=C(NCC1(NCc2cscn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270743544 842863226 /nfs/dbraw/zinc/86/32/26/842863226.db2.gz SJRKJQFQFRWSIB-VXGBXAGGSA-N 0 1 324.406 1.327 20 5 DDBDMN CCOC(=O)c1c(CN)ncn1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001155083785 861713293 /nfs/dbraw/zinc/71/32/93/861713293.db2.gz IKWCPTNWVIVQIZ-UHFFFAOYSA-N 0 1 319.321 1.428 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC001274145315 851974841 /nfs/dbraw/zinc/97/48/41/851974841.db2.gz URUWQQDEZVHNOT-UHFFFAOYSA-N 0 1 314.305 1.923 20 5 DDBDMN CCc1ccc(C(=O)N2CCNC[C@H]2COC)cc1[N+](=O)[O-] ZINC001122419340 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DDBDMN CC(=O)N1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254601095 896525094 /nfs/dbraw/zinc/52/50/94/896525094.db2.gz ZGLCGSBFIFJSJL-INIZCTEOSA-N 0 1 303.362 1.616 20 5 DDBDMN CCNC(=O)[C@@H]1CCCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254605225 896526554 /nfs/dbraw/zinc/52/65/54/896526554.db2.gz AKDKZKQSCQPJNW-GJZGRUSLSA-N 0 1 303.362 1.663 20 5 DDBDMN CC(C)N(CCCNC(=O)c1ccoc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001284769343 909466244 /nfs/dbraw/zinc/46/62/44/909466244.db2.gz YKBUNHGCHHJGGE-CHWSQXEVSA-N 0 1 323.349 1.302 20 5 DDBDMN CCc1ccccc1C(=O)N(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296064917 916220571 /nfs/dbraw/zinc/22/05/71/916220571.db2.gz LHIFWAVNZYRRQA-ZIAGYGMSSA-N 0 1 319.361 1.102 20 5 DDBDMN COc1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cc1[N+](=O)[O-] ZINC000278396057 214139957 /nfs/dbraw/zinc/13/99/57/214139957.db2.gz FGJSMZMFOGGZSJ-CYBMUJFWSA-N 0 1 319.361 1.846 20 5 DDBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000278571749 214245496 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C[N@@H+]1CC=C(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000592973871 355759627 /nfs/dbraw/zinc/75/96/27/355759627.db2.gz BKKLWGNFGMOHNO-UHFFFAOYSA-N 0 1 305.334 1.896 20 5 DDBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000592978152 355761153 /nfs/dbraw/zinc/76/11/53/355761153.db2.gz PWZPFROECHBSHK-TVQRCGJNSA-N 0 1 309.322 1.424 20 5 DDBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000592978152 355761156 /nfs/dbraw/zinc/76/11/56/355761156.db2.gz PWZPFROECHBSHK-TVQRCGJNSA-N 0 1 309.322 1.424 20 5 DDBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000592978153 355761301 /nfs/dbraw/zinc/76/13/01/355761301.db2.gz PWZPFROECHBSHK-ZANVPECISA-N 0 1 309.322 1.424 20 5 DDBDMN C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000592978153 355761304 /nfs/dbraw/zinc/76/13/04/355761304.db2.gz PWZPFROECHBSHK-ZANVPECISA-N 0 1 309.322 1.424 20 5 DDBDMN COC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 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ZINC001227094827 882829280 /nfs/dbraw/zinc/82/92/80/882829280.db2.gz LBTFDZMLZAUMNC-KOLCDFICSA-N 0 1 309.253 1.749 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2cc(=O)[nH][nH]2)C1 ZINC001300193351 877111939 /nfs/dbraw/zinc/11/19/39/877111939.db2.gz GKLDDRXKFJAXPH-QMMMGPOBSA-N 0 1 318.289 1.359 20 5 DDBDMN C[C@@H](O)CCCC(=O)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243032 883403137 /nfs/dbraw/zinc/40/31/37/883403137.db2.gz SNMSZYAFFKVLAC-MRVPVSSYSA-N 0 1 321.289 1.700 20 5 DDBDMN CC(=O)N1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228604580 883568898 /nfs/dbraw/zinc/56/88/98/883568898.db2.gz VFKNCNVXXXITSZ-JTQLQIEISA-N 0 1 322.321 1.358 20 5 DDBDMN COC(=O)c1cc([N+](=O)[O-])c(OC2CN(C(C)(C)C)C2)cc1O ZINC001228812915 883684998 /nfs/dbraw/zinc/68/49/98/883684998.db2.gz ZJWSTRWKEITYTQ-UHFFFAOYSA-N 0 1 324.333 1.949 20 5 DDBDMN COC[C@H](C)OC[C@@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263317 885447213 /nfs/dbraw/zinc/44/72/13/885447213.db2.gz IWZJIMBJBSYXSW-VHSXEESVSA-N 0 1 300.311 1.823 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1n[nH]c(=O)cc1Cl ZINC001233585304 887130328 /nfs/dbraw/zinc/13/03/28/887130328.db2.gz CSXGQQCVHTZWKM-ZCFIWIBFSA-N 0 1 313.701 1.716 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC(N3CCO[C@H](CO)C3)CC2)cc1 ZINC001254474071 896455654 /nfs/dbraw/zinc/45/56/54/896455654.db2.gz KVHBWBSJOSQSFL-INIZCTEOSA-N 0 1 321.377 1.257 20 5 DDBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CCOC2)CC1 ZINC001254550560 896498245 /nfs/dbraw/zinc/49/82/45/896498245.db2.gz LSQIVHBUAWKOPN-HOCLYGCPSA-N 0 1 319.405 1.932 20 5 DDBDMN CCCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C=C1CCC1 ZINC001284705899 909377656 /nfs/dbraw/zinc/37/76/56/909377656.db2.gz YWOJILJDMSVJCF-CHWSQXEVSA-N 0 1 309.366 1.117 20 5 DDBDMN CCCC1(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001295202751 915648848 /nfs/dbraw/zinc/64/88/48/915648848.db2.gz PQEQGYGBBISELN-YVECIDJPSA-N 0 1 323.393 1.385 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1[N+](=O)[O-] ZINC000614366363 361825799 /nfs/dbraw/zinc/82/57/99/361825799.db2.gz QUPVLZSGFUMNOU-VIFPVBQESA-N 0 1 308.338 1.521 20 5 DDBDMN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1CCO ZINC000614529942 361909550 /nfs/dbraw/zinc/90/95/50/361909550.db2.gz CVKUUXSOYXPAOS-LLVKDONJSA-N 0 1 317.349 1.041 20 5 DDBDMN Cc1cc(C(=O)NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000452387918 231373747 /nfs/dbraw/zinc/37/37/47/231373747.db2.gz IGRRYVFBYPVOES-CQSZACIVSA-N 0 1 321.377 1.480 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccc[nH]1 ZINC000090553167 185302755 /nfs/dbraw/zinc/30/27/55/185302755.db2.gz OEXYANWFTKDWMP-AWEZNQCLSA-N 0 1 302.334 1.922 20 5 DDBDMN CCC[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000255601992 282268530 /nfs/dbraw/zinc/26/85/30/282268530.db2.gz OEKZGZSGTCFNCY-IQQGHNRFSA-N 0 1 316.321 1.779 20 5 DDBDMN Cc1ccc(S(=O)(=O)NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000330789890 232069622 /nfs/dbraw/zinc/06/96/22/232069622.db2.gz SHSRGCATPHPISE-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN C[C@H](O)[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000305237627 282394796 /nfs/dbraw/zinc/39/47/96/282394796.db2.gz OJZRIEPVAXCPRN-UWVGGRQHSA-N 0 1 318.333 1.704 20 5 DDBDMN CS[C@@H](CO)[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272666096 210072787 /nfs/dbraw/zinc/07/27/87/210072787.db2.gz IXLATXRPEBGOGC-CPCISQLKSA-N 0 1 300.336 1.143 20 5 DDBDMN C[C@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000272631453 210032551 /nfs/dbraw/zinc/03/25/51/210032551.db2.gz WSUMTAIUPFEJHT-VIFPVBQESA-N 0 1 304.310 1.316 20 5 DDBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC=CCC1 ZINC000279769397 215131269 /nfs/dbraw/zinc/13/12/69/215131269.db2.gz BJBLJOCZBXTMBP-UHFFFAOYSA-N 0 1 318.377 1.653 20 5 DDBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)N(C)C)c1C ZINC000026857657 352211907 /nfs/dbraw/zinc/21/19/07/352211907.db2.gz VXMVPCLZXUCMOM-JTQLQIEISA-N 0 1 315.395 1.440 20 5 DDBDMN Cc1noc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000172722425 198141004 /nfs/dbraw/zinc/14/10/04/198141004.db2.gz MVBXTWFRVMZLJA-UHFFFAOYSA-N 0 1 306.326 1.362 20 5 DDBDMN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000052781088 352625530 /nfs/dbraw/zinc/62/55/30/352625530.db2.gz MWDOAUABTWMCII-NXEZZACHSA-N 0 1 301.343 1.025 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)nc1 ZINC000064337419 352934516 /nfs/dbraw/zinc/93/45/16/352934516.db2.gz PRAUUYQFTJLANN-UHFFFAOYSA-N 0 1 320.393 1.929 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[C@H](F)C1 ZINC000344884948 282861098 /nfs/dbraw/zinc/86/10/98/282861098.db2.gz AJCUNGAGPKXWCO-YUMQZZPRSA-N 0 1 306.290 1.903 20 5 DDBDMN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC000067524157 353054052 /nfs/dbraw/zinc/05/40/52/353054052.db2.gz APCTWWXYGGKGGO-BXUZGUMPSA-N 0 1 318.308 1.601 20 5 DDBDMN C[C@@H](C(=O)N(C)C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241173 198309503 /nfs/dbraw/zinc/30/95/03/198309503.db2.gz YMNOKXJDXXXOPI-LBPRGKRZSA-N 0 1 321.377 1.915 20 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JRDJSEQPJZXAHU-UHFFFAOYSA-N 0 1 319.361 1.771 20 5 DDBDMN CN1CCC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590631900 355133842 /nfs/dbraw/zinc/13/38/42/355133842.db2.gz FFAQWNMULUELII-CYBMUJFWSA-N 0 1 319.361 1.768 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC000590914452 355213275 /nfs/dbraw/zinc/21/32/75/355213275.db2.gz DJCIEZRCSYHWSD-VHSXEESVSA-N 0 1 306.322 1.267 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@H](C)OC3(CCC3)C2)c1[N+](=O)[O-] ZINC000592903054 355735286 /nfs/dbraw/zinc/73/52/86/355735286.db2.gz WFLCQLRZFQYESC-VIFPVBQESA-N 0 1 308.338 1.664 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000593018890 355771219 /nfs/dbraw/zinc/77/12/19/355771219.db2.gz BRLLJQBFZKGJGX-NWDGAFQWSA-N 0 1 321.377 1.906 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000593187604 355820056 /nfs/dbraw/zinc/82/00/56/355820056.db2.gz MKHPHXODYNUZKI-ADEWGFFLSA-N 0 1 306.366 1.851 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC(C3(O)CC3)CC2)c1[N+](=O)[O-] ZINC000593768160 355990667 /nfs/dbraw/zinc/99/06/67/355990667.db2.gz CHQYJFJWEXZCBJ-UHFFFAOYSA-N 0 1 308.338 1.257 20 5 DDBDMN CCn1cc(CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C(C)C)cn1 ZINC000593834197 356015450 /nfs/dbraw/zinc/01/54/50/356015450.db2.gz GXAQDRUGXIEGIJ-UHFFFAOYSA-N 0 1 320.353 1.894 20 5 DDBDMN C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CC(C)C1 ZINC000594356294 356181098 /nfs/dbraw/zinc/18/10/98/356181098.db2.gz WUFOJKRPMSNCCJ-ZDUSSCGKSA-N 0 1 305.378 1.936 20 5 DDBDMN CCCCOCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752167 356307491 /nfs/dbraw/zinc/30/74/91/356307491.db2.gz LXWWRCUNLRKGAE-UHFFFAOYSA-N 0 1 303.340 1.085 20 5 DDBDMN CCOCCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755977 356309166 /nfs/dbraw/zinc/30/91/66/356309166.db2.gz RXOCYTBGGMBMLT-UHFFFAOYSA-N 0 1 303.340 1.085 20 5 DDBDMN C[C@]1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCS1 ZINC000594758619 356309804 /nfs/dbraw/zinc/30/98/04/356309804.db2.gz 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Cc1noc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000176214805 408313446 /nfs/dbraw/zinc/31/34/46/408313446.db2.gz PLNZNMSQJIPMRR-LLVKDONJSA-N 0 1 306.326 1.362 20 5 DDBDMN C[C@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000158607214 408350631 /nfs/dbraw/zinc/35/06/31/408350631.db2.gz JPKZBXQYRMSPDT-NSHDSACASA-N 0 1 304.299 1.191 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000148554888 162134696 /nfs/dbraw/zinc/13/46/96/162134696.db2.gz WIODLFDGQKXGAM-GHMZBOCLSA-N 0 1 312.757 1.918 20 5 DDBDMN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000183274616 408368049 /nfs/dbraw/zinc/36/80/49/408368049.db2.gz GAKDBWMNBOJFHF-UHFFFAOYSA-N 0 1 310.291 1.808 20 5 DDBDMN C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159274427 408396745 /nfs/dbraw/zinc/39/67/45/408396745.db2.gz WMXYSBDAGABHGX-NSHDSACASA-N 0 1 307.350 1.905 20 5 DDBDMN C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000183401013 408400680 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COCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000277368849 408928370 /nfs/dbraw/zinc/92/83/70/408928370.db2.gz CWCTUDUOHDYKCQ-NSHDSACASA-N 0 1 323.349 1.054 20 5 DDBDMN C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000190926540 163165101 /nfs/dbraw/zinc/16/51/01/163165101.db2.gz AWVJWLBRHGXFAU-XUJVJEKNSA-N 0 1 319.361 1.260 20 5 DDBDMN CCc1n[nH]c(C(=O)NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000277386081 408930802 /nfs/dbraw/zinc/93/08/02/408930802.db2.gz BOCNNUTYQIFZAA-LLVKDONJSA-N 0 1 321.381 1.627 20 5 DDBDMN COc1cccc(OC)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000286342464 408968161 /nfs/dbraw/zinc/96/81/61/408968161.db2.gz FDYXZPWSGQOABN-UHFFFAOYSA-N 0 1 306.322 1.598 20 5 DDBDMN COCCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277767748 409008680 /nfs/dbraw/zinc/00/86/80/409008680.db2.gz LCCUHAKATKMMHF-UHFFFAOYSA-N 0 1 305.338 1.240 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000246283004 163473298 /nfs/dbraw/zinc/47/32/98/163473298.db2.gz NVVMKYAMGGBPLV-RRFJBIMHSA-N 0 1 324.402 1.835 20 5 DDBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)n[nH]1 ZINC000277814857 409016281 /nfs/dbraw/zinc/01/62/81/409016281.db2.gz LICMHLRFJFWOJL-RKDXNWHRSA-N 0 1 321.341 1.300 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000292604011 409037786 /nfs/dbraw/zinc/03/77/86/409037786.db2.gz QOTQSZCMMYSDIM-GXFFZTMASA-N 0 1 320.349 1.800 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1NC1CCN(Cc2cccnc2)CC1 ZINC000287698534 409078281 /nfs/dbraw/zinc/07/82/81/409078281.db2.gz KGRPOWFQCGHYCW-UHFFFAOYSA-N 0 1 316.365 1.800 20 5 DDBDMN CN1CCN(C)[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000278483367 409084384 /nfs/dbraw/zinc/08/43/84/409084384.db2.gz VPGSPOJZVOEPRR-NSHDSACASA-N 0 1 305.382 1.221 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCOC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000293854980 409194568 /nfs/dbraw/zinc/19/45/68/409194568.db2.gz KATWXKNQECCFPU-LLVKDONJSA-N 0 1 308.338 1.515 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000283933095 409242602 /nfs/dbraw/zinc/24/26/02/409242602.db2.gz KNRYOXBMLCGTRP-NSHDSACASA-N 0 1 307.350 1.818 20 5 DDBDMN C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293899384 409202881 /nfs/dbraw/zinc/20/28/81/409202881.db2.gz FEAKNUCATPGQJN-BETUJISGSA-N 0 1 320.393 1.582 20 5 DDBDMN CC[C@H](CO)N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000295716167 409364961 /nfs/dbraw/zinc/36/49/61/409364961.db2.gz NPCIKBZWBGXZGR-GFCCVEGCSA-N 0 1 307.350 1.187 20 5 DDBDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000290455235 409409278 /nfs/dbraw/zinc/40/92/78/409409278.db2.gz CBBFMGCYMLBKQR-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290455235 409409284 /nfs/dbraw/zinc/40/92/84/409409284.db2.gz CBBFMGCYMLBKQR-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290455235 409409289 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C[C@H]1CC[C@H](C)N1Cc1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000350911926 410011842 /nfs/dbraw/zinc/01/18/42/410011842.db2.gz UZOVTCXTVZJMJV-IUCAKERBSA-N 0 1 306.326 1.751 20 5 DDBDMN Cc1noc(C2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)n1 ZINC000354755180 410063986 /nfs/dbraw/zinc/06/39/86/410063986.db2.gz KZBUHVDXWUSLKJ-UHFFFAOYSA-N 0 1 320.309 1.338 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000346691741 410087014 /nfs/dbraw/zinc/08/70/14/410087014.db2.gz WAZSXXSPSZRMFJ-BXKDBHETSA-N 0 1 321.333 1.077 20 5 DDBDMN O=C(NCCCc1nc[nH]n1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000346798196 410158467 /nfs/dbraw/zinc/15/84/67/410158467.db2.gz WPOYWENCKMNYIN-UHFFFAOYSA-N 0 1 308.273 1.606 20 5 DDBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc[nH]1 ZINC000343219589 410246768 /nfs/dbraw/zinc/24/67/68/410246768.db2.gz XNOHATPXYPFMFE-UHFFFAOYSA-N 0 1 307.335 1.755 20 5 DDBDMN CNc1c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cccc1[N+](=O)[O-] ZINC000343351162 410385462 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Cc1c(CC(=O)N2C[C@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330581322 410798102 /nfs/dbraw/zinc/79/81/02/410798102.db2.gz JBGSCRZQYMPNPB-RYUDHWBXSA-N 0 1 305.378 1.997 20 5 DDBDMN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000347936753 410802604 /nfs/dbraw/zinc/80/26/04/410802604.db2.gz XPHBWWYBAQHSAN-CQSZACIVSA-N 0 1 307.325 1.900 20 5 DDBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1-c1nnc[nH]1 ZINC000356200869 410890322 /nfs/dbraw/zinc/89/03/22/410890322.db2.gz FUMXOIZZUWRWHP-UHFFFAOYSA-N 0 1 313.277 1.215 20 5 DDBDMN O=C(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)NC1CCCCC1 ZINC000356512279 411063967 /nfs/dbraw/zinc/06/39/67/411063967.db2.gz MFGPLFPPNYVDAY-UHFFFAOYSA-N 0 1 321.333 1.479 20 5 DDBDMN C[C@@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571560846 304470821 /nfs/dbraw/zinc/47/08/21/304470821.db2.gz HPFCJQXUCAOEFO-SFYZADRCSA-N 0 1 321.786 1.652 20 5 DDBDMN C[C@@H]1OCC[C@]12C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O2 ZINC000366085788 418428087 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CC(C)C(C)(C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594772214 356313136 /nfs/dbraw/zinc/31/31/36/356313136.db2.gz VTJXREQXMGZZAR-UHFFFAOYSA-N 0 1 301.368 1.950 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595574989 356558356 /nfs/dbraw/zinc/55/83/56/356558356.db2.gz RXZURRPGUUXEIP-UHFFFAOYSA-N 0 1 306.366 1.340 20 5 DDBDMN CN(Cc1cnc[nH]1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595590630 356565539 /nfs/dbraw/zinc/56/55/39/356565539.db2.gz AAKQOSWJLIPPIE-CQSZACIVSA-N 0 1 315.333 1.555 20 5 DDBDMN CCOc1cc(CN(C)C[C@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595736584 356628271 /nfs/dbraw/zinc/62/82/71/356628271.db2.gz MSGBRJPSGQBOEQ-ZDUSSCGKSA-N 0 1 310.350 1.841 20 5 DDBDMN CC[NH2+]CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237019347 202124050 /nfs/dbraw/zinc/12/40/50/202124050.db2.gz XWSQYJYPDWMFLE-UHFFFAOYSA-N 0 1 307.759 1.136 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2COC[C@H]2C1 ZINC000595833835 356670631 /nfs/dbraw/zinc/67/06/31/356670631.db2.gz 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CC(C)C[C@H]1C[N@@H+](C)CCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910374836 709914066 /nfs/dbraw/zinc/91/40/66/709914066.db2.gz MFNUILBJNGYRQL-NSHDSACASA-N 0 1 322.365 1.855 20 5 DDBDMN COCC[C@@H]1CNCCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000904273236 711422060 /nfs/dbraw/zinc/42/20/60/711422060.db2.gz WRZSAZKFXAVDPY-CYBMUJFWSA-N 0 1 322.365 1.745 20 5 DDBDMN C[C@@H](NC(=O)C1CN([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783209 711605217 /nfs/dbraw/zinc/60/52/17/711605217.db2.gz RSRMLXHDIQLSQL-IAQYHMDHSA-N 0 1 319.361 1.493 20 5 DDBDMN Cc1cccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1[N+](=O)[O-] ZINC000896581024 711758120 /nfs/dbraw/zinc/75/81/20/711758120.db2.gz FUJHYOMQCJFABI-GXTWGEPZSA-N 0 1 320.393 1.267 20 5 DDBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC12CCN(CC1)C2 ZINC000913633091 713273120 /nfs/dbraw/zinc/27/31/20/713273120.db2.gz LLIRSDZRYYXNBP-BENRWUELSA-N 0 1 301.346 1.963 20 5 DDBDMN O=c1[nH]cccc1-c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000904744915 711889108 /nfs/dbraw/zinc/88/91/08/711889108.db2.gz DAFDNDZOWDIBQW-SNVBAGLBSA-N 0 1 300.230 1.601 20 5 DDBDMN COC(=O)c1csc(-c2cccc(CNCC[N+](=O)[O-])c2)n1 ZINC000905227569 711974729 /nfs/dbraw/zinc/97/47/29/711974729.db2.gz BLCWBEOZARSKIA-UHFFFAOYSA-N 0 1 321.358 1.963 20 5 DDBDMN COC[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916571039 713458440 /nfs/dbraw/zinc/45/84/40/713458440.db2.gz RZPQZVLFMUHUDK-MRVPVSSYSA-N 0 1 301.730 1.811 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCn3cccc3C2)c1[N+](=O)[O-] ZINC000928962583 713518392 /nfs/dbraw/zinc/51/83/92/713518392.db2.gz LMTBDQKYZOPVST-UHFFFAOYSA-N 0 1 303.322 1.728 20 5 DDBDMN Cc1ccc(CNC(=O)C2CCN(CC[N+](=O)[O-])CC2)cc1F ZINC000929272218 713580010 /nfs/dbraw/zinc/58/00/10/713580010.db2.gz VIEXVHSFGDGCOL-UHFFFAOYSA-N 0 1 323.368 1.739 20 5 DDBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000921336892 713738341 /nfs/dbraw/zinc/73/83/41/713738341.db2.gz ZLTQDTUEILAPKS-DGCLKSJQSA-N 0 1 306.366 1.968 20 5 DDBDMN C[C@H]1COC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000932493319 714345867 /nfs/dbraw/zinc/34/58/67/714345867.db2.gz DXRNDSHXNVUCPX-KWQFWETISA-N 0 1 313.741 1.811 20 5 DDBDMN C[C@@H]1CN(CC[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC000932710158 714394762 /nfs/dbraw/zinc/39/47/62/714394762.db2.gz LFXLZLXKEMBGPC-NEPJUHHUSA-N 0 1 301.387 1.746 20 5 DDBDMN CN1CC2(C1)CCN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000935667631 715113826 /nfs/dbraw/zinc/11/38/26/715113826.db2.gz WURYHOLVSZFYLB-UHFFFAOYSA-N 0 1 321.352 1.831 20 5 DDBDMN C/C=C(\C)C(=O)N1CC2(C1)CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001010608991 732787786 /nfs/dbraw/zinc/78/77/86/732787786.db2.gz TTWDVGYPAIZSET-ZIAWVFJWSA-N 0 1 321.377 1.069 20 5 DDBDMN Cc1ccc2c(ccnc2-n2c(C)ncc(CN)c2=N)c1[N+](=O)[O-] ZINC001167672482 735203900 /nfs/dbraw/zinc/20/39/00/735203900.db2.gz OIVWGGDRNSBOMA-UHFFFAOYSA-N 0 1 324.344 1.884 20 5 DDBDMN O=C(NC1CN(Cc2ccc3cc[nH]c3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294041 744026869 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CC(C)=C(C)CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001064012079 754471358 /nfs/dbraw/zinc/47/13/58/754471358.db2.gz RZTGTLYEQVIXPC-CHWSQXEVSA-N 0 1 323.393 1.553 20 5 DDBDMN COc1ccc(C[C@@H](C)n2c(C)nnc2CN)c([N+](=O)[O-])c1 ZINC001170326668 766253148 /nfs/dbraw/zinc/25/31/48/766253148.db2.gz BJJXJJRYCVMQQH-SECBINFHSA-N 0 1 305.338 1.766 20 5 DDBDMN C[C@H]1CC(=O)NN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136142146 771900219 /nfs/dbraw/zinc/90/02/19/771900219.db2.gz SJFWKAAFRZEHEK-QMMMGPOBSA-N 0 1 315.289 1.251 20 5 DDBDMN Cc1cnoc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001146493973 772877433 /nfs/dbraw/zinc/87/74/33/772877433.db2.gz ARDZHMHMNJOODK-UHFFFAOYSA-N 0 1 304.306 1.411 20 5 DDBDMN Cc1cc(NCCNC(=O)c2[nH]ncc2F)ncc1[N+](=O)[O-] ZINC001094103606 775479516 /nfs/dbraw/zinc/47/95/16/775479516.db2.gz CPKGZPRZYRKQEW-UHFFFAOYSA-N 0 1 308.273 1.002 20 5 DDBDMN Cc1cnc(NCCCNC(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC001094434282 775856964 /nfs/dbraw/zinc/85/69/64/775856964.db2.gz ADAJNOAAQSRKQM-UHFFFAOYSA-N 0 1 321.381 1.312 20 5 DDBDMN Cc1n[nH]cc1CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175183102 777712668 /nfs/dbraw/zinc/71/26/68/777712668.db2.gz GMDPDELLTYBGCN-CYBMUJFWSA-N 0 1 320.349 1.498 20 5 DDBDMN CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1c[nH]cn1 ZINC001101975177 777754504 /nfs/dbraw/zinc/75/45/04/777754504.db2.gz MBMHEWLNNUDOIH-UHFFFAOYSA-N 0 1 321.312 1.570 20 5 DDBDMN COCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccnc1 ZINC001176774889 778233753 /nfs/dbraw/zinc/23/37/53/778233753.db2.gz NOYKGZJQXOUTLD-SNVBAGLBSA-N 0 1 305.294 1.221 20 5 DDBDMN COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001178175104 778923909 /nfs/dbraw/zinc/92/39/09/778923909.db2.gz NVPLNYHJVMTEDW-SCZZXKLOSA-N 0 1 308.290 1.372 20 5 DDBDMN C[NH+](C)CCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001118762890 781235622 /nfs/dbraw/zinc/23/56/22/781235622.db2.gz GYUNNNZLEHNMMP-UHFFFAOYSA-N 0 1 301.730 1.400 20 5 DDBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)CC1(O)CCC1 ZINC001266694385 836681920 /nfs/dbraw/zinc/68/19/20/836681920.db2.gz LJGBYGUOIJLQRK-UHFFFAOYSA-N 0 1 321.377 1.448 20 5 DDBDMN CCCc1[nH]nc(C(=O)O[C@@H](C)c2n[nH]c(CC)n2)c1[N+](=O)[O-] ZINC001327162923 861936069 /nfs/dbraw/zinc/93/60/69/861936069.db2.gz ULTKZRSYTURIRM-ZETCQYMHSA-N 0 1 322.325 1.869 20 5 DDBDMN CCOC(=O)c1cnc(-n2c(C)cnc2CN)c([N+](=O)[O-])c1 ZINC001169021015 850517984 /nfs/dbraw/zinc/51/79/84/850517984.db2.gz VUDRHMLFCKVJPJ-UHFFFAOYSA-N 0 1 305.294 1.119 20 5 DDBDMN CCn1cccc1C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001151189447 862666113 /nfs/dbraw/zinc/66/61/13/862666113.db2.gz ASOKIKCCENMQCC-UHFFFAOYSA-N 0 1 322.390 1.997 20 5 DDBDMN CC1(NC(=O)CC2CCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013130 857997999 /nfs/dbraw/zinc/99/79/99/857997999.db2.gz RLQKFNJZPBGDFO-CHWSQXEVSA-N 0 1 323.393 1.339 20 5 DDBDMN NC(=O)COC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC001320509662 866787294 /nfs/dbraw/zinc/78/72/94/866787294.db2.gz QPJLAICOOLDDGY-HYXAFXHYSA-N 0 1 319.361 1.574 20 5 DDBDMN COc1cc(NCc2noc3c2CNCC3)cnc1[N+](=O)[O-] ZINC001163134238 868143854 /nfs/dbraw/zinc/14/38/54/868143854.db2.gz LQYLMDUJJWAARU-UHFFFAOYSA-N 0 1 305.294 1.244 20 5 DDBDMN COc1cc(NCCNC(=O)C(F)(F)F)cnc1[N+](=O)[O-] ZINC001164246111 869055712 /nfs/dbraw/zinc/05/57/12/869055712.db2.gz OKMQXSAVPDAYNC-UHFFFAOYSA-N 0 1 308.216 1.089 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C)c1 ZINC001336743981 869120500 /nfs/dbraw/zinc/12/05/00/869120500.db2.gz CAQGNFOTLICCIS-NSHDSACASA-N 0 1 307.350 1.818 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1n[nH]c2ncccc21 ZINC001226301818 882335054 /nfs/dbraw/zinc/33/50/54/882335054.db2.gz GBZFZIAKBCTINO-MRVPVSSYSA-N 0 1 302.294 1.839 20 5 DDBDMN O=c1ccnc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[nH]1 ZINC001226326871 882354114 /nfs/dbraw/zinc/35/41/14/882354114.db2.gz OROLJAVWCVUFSY-NSHDSACASA-N 0 1 305.246 1.308 20 5 DDBDMN COC(=O)c1cc(O[C@H]2CCCN(C)C2)c(OC)cc1[N+](=O)[O-] ZINC001226440225 882433522 /nfs/dbraw/zinc/43/35/22/882433522.db2.gz TZBHQXRBAFDRKI-JTQLQIEISA-N 0 1 324.333 1.863 20 5 DDBDMN Cn1[nH]c(=O)c2c1CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC001308003185 871462372 /nfs/dbraw/zinc/46/23/72/871462372.db2.gz QBLXKRCTPWAZNO-CQSZACIVSA-N 0 1 318.333 1.126 20 5 DDBDMN COc1ccc(CN2C[C@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001308164981 871476536 /nfs/dbraw/zinc/47/65/36/871476536.db2.gz WWGLQOVHGPDMKT-CHWSQXEVSA-N 0 1 310.350 1.026 20 5 DDBDMN Cc1conc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001309948087 871610014 /nfs/dbraw/zinc/61/00/14/871610014.db2.gz IODPHPFESMCSCA-UHFFFAOYSA-N 0 1 315.282 1.509 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC001341617728 871738920 /nfs/dbraw/zinc/73/89/20/871738920.db2.gz FIVCQVZNOCEUQO-UHFFFAOYSA-N 0 1 313.277 1.366 20 5 DDBDMN CCOc1ccc(C(=O)N2CCNC[C@@H]2COC)cc1[N+](=O)[O-] ZINC001341624632 871742124 /nfs/dbraw/zinc/74/21/24/871742124.db2.gz XCDYMPGPVTUZRA-GFCCVEGCSA-N 0 1 323.349 1.054 20 5 DDBDMN C[NH+](C)CCO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 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DDBDMN C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[n-]3)n1)OC2 ZINC000347343706 410485873 /nfs/dbraw/zinc/48/58/73/410485873.db2.gz SSYNBEYMYRCTFS-HZMBPMFUSA-N 0 1 319.321 1.899 20 5 DDBDMN C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc([N+](=O)[O-])[n-]3)n1)OC2 ZINC000347343706 410485877 /nfs/dbraw/zinc/48/58/77/410485877.db2.gz SSYNBEYMYRCTFS-HZMBPMFUSA-N 0 1 319.321 1.899 20 5 DDBDMN Cc1nccnc1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358260474 410425354 /nfs/dbraw/zinc/42/53/54/410425354.db2.gz ILCHREWZRJRGCC-UHFFFAOYSA-N 0 1 302.290 1.371 20 5 DDBDMN CCC[C@H]1CNCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000359202106 410573698 /nfs/dbraw/zinc/57/36/98/410573698.db2.gz SFVWEQWPVWLYJC-LBPRGKRZSA-N 0 1 307.350 1.818 20 5 DDBDMN C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330450118 410698559 /nfs/dbraw/zinc/69/85/59/410698559.db2.gz ILXYBLBIUZGOSY-GFCCVEGCSA-N 0 1 323.393 1.577 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000355824088 410688524 /nfs/dbraw/zinc/68/85/24/410688524.db2.gz GSTXLWVEXGRNQB-NSHDSACASA-N 0 1 323.349 1.054 20 5 DDBDMN Cc1nc(N2CCC(N3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301659660 410764351 /nfs/dbraw/zinc/76/43/51/410764351.db2.gz TWNSYRMWLSPTLW-GFCCVEGCSA-N 0 1 320.393 1.988 20 5 DDBDMN COc1c(C(=O)N(C)[C@H]2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000356009555 410772579 /nfs/dbraw/zinc/77/25/79/410772579.db2.gz YTJKFQMRXRJTPH-AWEZNQCLSA-N 0 1 319.361 1.770 20 5 DDBDMN CC1=CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348349483 410929877 /nfs/dbraw/zinc/92/98/77/410929877.db2.gz ZRLKLIGVPYCQNR-UHFFFAOYSA-N 0 1 303.362 1.906 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccn4cncc4c3)no2)n1 ZINC000351041477 306761448 /nfs/dbraw/zinc/76/14/48/306761448.db2.gz ALQDFHDUHFPEGC-UHFFFAOYSA-N 0 1 311.261 1.693 20 5 DDBDMN Nc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccn1 ZINC000373281910 418416873 /nfs/dbraw/zinc/41/68/73/418416873.db2.gz AMYFYEAJBYHYNS-UHFFFAOYSA-N 0 1 302.338 1.606 20 5 DDBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000360416393 418429524 /nfs/dbraw/zinc/42/95/24/418429524.db2.gz GZCSFIRVYPSQKB-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN[C@@H](c2cccc(Cl)c2)C1 ZINC000366912538 418536233 /nfs/dbraw/zinc/53/62/33/418536233.db2.gz PGZRAXNJEDNGKW-UPJWGTAASA-N 0 1 309.753 1.478 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000291040387 222092763 /nfs/dbraw/zinc/09/27/63/222092763.db2.gz HEULRFNCEUXZRM-SECBINFHSA-N 0 1 316.260 1.390 20 5 DDBDMN CNc1c(C(=O)N[C@H]2CCN(CCOC)C2)cccc1[N+](=O)[O-] ZINC000361213210 418606792 /nfs/dbraw/zinc/60/67/92/418606792.db2.gz QCHLAQITNSQUEA-NSHDSACASA-N 0 1 322.365 1.087 20 5 DDBDMN O=[N+]([O-])c1cnc(NCCc2cc(-c3ccncc3)[nH]n2)s1 ZINC000336920175 418618162 /nfs/dbraw/zinc/61/81/62/418618162.db2.gz FYDAMPGPFLGXQQ-UHFFFAOYSA-N 0 1 316.346 2.491 20 5 DDBDMN CCOc1cc(CN(CCO)[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000361584682 418685804 /nfs/dbraw/zinc/68/58/04/418685804.db2.gz FXXXBGZECLMMND-GXTWGEPZSA-N 0 1 324.377 1.965 20 5 DDBDMN Nc1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000371280631 418774142 /nfs/dbraw/zinc/77/41/42/418774142.db2.gz REQWZJNQPCYBEB-VIFPVBQESA-N 0 1 301.306 1.187 20 5 DDBDMN CN1Cc2ccccc2[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371338593 418779946 /nfs/dbraw/zinc/77/99/46/418779946.db2.gz FKNXCAUQTBRILU-ZDUSSCGKSA-N 0 1 324.344 2.236 20 5 DDBDMN Nc1cc2c(nn1)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000371376780 418787092 /nfs/dbraw/zinc/78/70/92/418787092.db2.gz ZTJAIFXFWXWSTO-HWKANZROSA-N 0 1 311.345 2.039 20 5 DDBDMN C[C@H](CO)N1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000364939821 418826251 /nfs/dbraw/zinc/82/62/51/418826251.db2.gz ZMDYSVNXNAXNBL-SNVBAGLBSA-N 0 1 313.379 1.185 20 5 DDBDMN C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000372783872 418901763 /nfs/dbraw/zinc/90/17/63/418901763.db2.gz KMJAJUDWAWNRGL-GAFUQQFSSA-N 0 1 301.306 1.110 20 5 DDBDMN C[NH+]1CCC2(CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000365791085 418909140 /nfs/dbraw/zinc/90/91/40/418909140.db2.gz VLQNXIDCGKHRNI-UHFFFAOYSA-N 0 1 320.349 1.396 20 5 DDBDMN Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000298156613 228385557 /nfs/dbraw/zinc/38/55/57/228385557.db2.gz PGDMFRSEKBFBIG-LBPRGKRZSA-N 0 1 320.349 1.052 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000427097426 419592939 /nfs/dbraw/zinc/59/29/39/419592939.db2.gz SGJLZGUQDZRZRI-SECBINFHSA-N 0 1 318.333 1.996 20 5 DDBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])nn2C)c1 ZINC000436654150 420351021 /nfs/dbraw/zinc/35/10/21/420351021.db2.gz CJAARXAYBJGGQS-UHFFFAOYSA-N 0 1 318.289 1.879 20 5 DDBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000436970271 420388596 /nfs/dbraw/zinc/38/85/96/420388596.db2.gz COQVBLXCBOIGMC-GFCCVEGCSA-N 0 1 305.334 1.609 20 5 DDBDMN O=C1CC[C@@H](CN2CCOc3ccc([N+](=O)[O-])cc3C2)CCN1 ZINC000451048465 420588995 /nfs/dbraw/zinc/58/89/95/420588995.db2.gz KAMLRUBOUZGQKL-GFCCVEGCSA-N 0 1 319.361 1.706 20 5 DDBDMN COC(=O)c1nc[nH]c1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000492820458 420675781 /nfs/dbraw/zinc/67/57/81/420675781.db2.gz BIERXTAJONDCJE-DAXSKMNVSA-N 0 1 316.273 1.756 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(C)CCC(=O)N1 ZINC000453587493 420733574 /nfs/dbraw/zinc/73/35/74/420733574.db2.gz KACWFCVRGSXODQ-HNNXBMFYSA-N 0 1 307.350 1.752 20 5 DDBDMN CNc1nc(C(=O)N(C)[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000455608409 421043126 /nfs/dbraw/zinc/04/31/26/421043126.db2.gz APLRYAJOUOVYLB-ZDUSSCGKSA-N 0 1 319.365 1.198 20 5 DDBDMN C[C@H](Cc1cnn(C)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000456506122 421176554 /nfs/dbraw/zinc/17/65/54/421176554.db2.gz XEYKWAKQKGSTKD-SECBINFHSA-N 0 1 304.306 1.395 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(CC(F)F)C[C@H](C)O)c1[N+](=O)[O-] ZINC000456540525 421180479 /nfs/dbraw/zinc/18/04/79/421180479.db2.gz FRAFQOYQFXCUMQ-ZETCQYMHSA-N 0 1 320.296 1.529 20 5 DDBDMN C[C@@H]1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000546878069 421314010 /nfs/dbraw/zinc/31/40/10/421314010.db2.gz BKQCDTDOSNFNRJ-LLVKDONJSA-N 0 1 313.379 1.215 20 5 DDBDMN Cc1ccc2nc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])[nH]c2c1 ZINC000547761506 421364559 /nfs/dbraw/zinc/36/45/59/421364559.db2.gz KIBDQKMMLLEETE-UHFFFAOYSA-N 0 1 300.278 1.433 20 5 DDBDMN O=C1NCC[C@@]12CCCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000516875017 421574425 /nfs/dbraw/zinc/57/44/25/421574425.db2.gz BIXMRMJCNIHQLY-HNNXBMFYSA-N 0 1 305.334 1.328 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C3CC3)s2)n1 ZINC000564768855 421593318 /nfs/dbraw/zinc/59/33/18/421593318.db2.gz BHDJGKCFGLESOU-UHFFFAOYSA-N 0 1 308.323 1.792 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563704831 421535892 /nfs/dbraw/zinc/53/58/92/421535892.db2.gz CBYTYAXNRVQGMC-MNOVXSKESA-N 0 1 320.349 1.157 20 5 DDBDMN Cc1nn(CCC(=O)N2CCN(C)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000580966231 421875031 /nfs/dbraw/zinc/87/50/31/421875031.db2.gz YUYPQQIEKOWMEI-UHFFFAOYSA-N 0 1 323.397 1.351 20 5 DDBDMN COC(=O)[C@@H]1C[C@@H](O)CN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201831 422331345 /nfs/dbraw/zinc/33/13/45/422331345.db2.gz WDTKQPMHNPKIDS-QJPTWQEYSA-N 0 1 308.334 1.512 20 5 DDBDMN COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000575814829 422332004 /nfs/dbraw/zinc/33/20/04/422332004.db2.gz BIRTUNWKZHUJDG-DGCLKSJQSA-N 0 1 324.333 1.667 20 5 DDBDMN C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCCN1C ZINC000345321781 272219314 /nfs/dbraw/zinc/21/93/14/272219314.db2.gz OUQYRXIADAGGPE-KCJUWKMLSA-N 0 1 310.329 1.529 20 5 DDBDMN O=C(NC1(c2nn[nH]n2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000345534298 272275803 /nfs/dbraw/zinc/27/58/03/272275803.db2.gz GOOKXLYBCQAPGI-UHFFFAOYSA-N 0 1 302.294 1.307 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000332623863 278000122 /nfs/dbraw/zinc/00/01/22/278000122.db2.gz GUWPFQTYRSQGAL-UWVGGRQHSA-N 0 1 310.354 1.817 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccco1 ZINC000128538544 281314514 /nfs/dbraw/zinc/31/45/14/281314514.db2.gz UYEOMWXOZIPJHF-UHFFFAOYSA-N 0 1 300.267 1.805 20 5 DDBDMN CCOCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128551844 281315128 /nfs/dbraw/zinc/31/51/28/281315128.db2.gz FKLAIZIALWYOAK-UHFFFAOYSA-N 0 1 306.315 1.439 20 5 DDBDMN C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccco1 ZINC000184594807 289363505 /nfs/dbraw/zinc/36/35/05/289363505.db2.gz CRGCLHRNJSJSMG-GFCCVEGCSA-N 0 1 319.317 1.926 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])[C@H]2C1 ZINC000272470256 290230811 /nfs/dbraw/zinc/23/08/11/290230811.db2.gz ZDRSLFCZBPTNMA-GWCFXTLKSA-N 0 1 305.334 1.467 20 5 DDBDMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)n[nH]1 ZINC000354210864 298365873 /nfs/dbraw/zinc/36/58/73/298365873.db2.gz YKZQOJKWSRIWRJ-VIFPVBQESA-N 0 1 305.298 1.112 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364209510 300357391 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C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000833626701 605106439 /nfs/dbraw/zinc/10/64/39/605106439.db2.gz RMQBNLWNMJAIBB-NSHDSACASA-N 0 1 321.333 1.216 20 5 DDBDMN O=C([O-])NC[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834223800 606028680 /nfs/dbraw/zinc/02/86/80/606028680.db2.gz CNYUORBXUUFXOJ-MFKMUULPSA-N 0 1 309.322 1.218 20 5 DDBDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000833834729 606033298 /nfs/dbraw/zinc/03/32/98/606033298.db2.gz QMRAGRURKRPQLF-SUNKGSAMSA-N 0 1 323.349 1.606 20 5 DDBDMN Cc1cccc(CN2CCN(Cn3nccc3[N+](=O)[O-])CC2)c1 ZINC000054429151 696275962 /nfs/dbraw/zinc/27/59/62/696275962.db2.gz INRJYRFDBBUGNV-UHFFFAOYSA-N 0 1 315.377 1.875 20 5 DDBDMN Cc1c(C(=O)NCc2cnc[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748322925 700110446 /nfs/dbraw/zinc/11/04/46/700110446.db2.gz RZMKEZSZXWRXED-UHFFFAOYSA-N 0 1 305.250 1.465 20 5 DDBDMN CCN(CCC(=O)OC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000151977087 696893323 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DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000763961445 700955245 /nfs/dbraw/zinc/95/52/45/700955245.db2.gz FXIKLRVVGGVNMR-UHFFFAOYSA-N 0 1 321.249 1.165 20 5 DDBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C2 ZINC000807934551 701491509 /nfs/dbraw/zinc/49/15/09/701491509.db2.gz HKHORPDQCJGNQT-UHFFFAOYSA-N 0 1 308.313 1.094 20 5 DDBDMN COc1cccc(C[C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839556757 701734950 /nfs/dbraw/zinc/73/49/50/701734950.db2.gz QHQYOLPZSBHPHU-BPLDGKMQSA-N 0 1 304.346 1.894 20 5 DDBDMN COc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000839624801 701757255 /nfs/dbraw/zinc/75/72/55/701757255.db2.gz HKNBBIWZNNJTKC-MWLCHTKSSA-N 0 1 318.251 1.995 20 5 DDBDMN O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839666679 701772967 /nfs/dbraw/zinc/77/29/67/701772967.db2.gz PSDCIHPSTOQPIJ-MXWKQRLJSA-N 0 1 318.251 1.520 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(OCCCc2ccccc2)C1 ZINC000839697799 701788488 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DDBDMN CC(C)Oc1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840671190 702194958 /nfs/dbraw/zinc/19/49/58/702194958.db2.gz OSCPZKRMAUXKIX-CHWSQXEVSA-N 0 1 307.302 1.865 20 5 DDBDMN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840672186 702195704 /nfs/dbraw/zinc/19/57/04/702195704.db2.gz FFWBTVWXKCBBER-ZWKOPEQDSA-N 0 1 320.301 1.425 20 5 DDBDMN O=C(NCc1nnc[nH]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813423124 702345545 /nfs/dbraw/zinc/34/55/45/702345545.db2.gz UZDPWRSDILLNDJ-UHFFFAOYSA-N 0 1 316.104 1.950 20 5 DDBDMN COC(=O)C(C)(C)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841219547 702392060 /nfs/dbraw/zinc/39/20/60/702392060.db2.gz ZKYSDLOJAQZPDM-CHWSQXEVSA-N 0 1 320.345 1.632 20 5 DDBDMN COC(=O)c1c(F)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000841223857 702393151 /nfs/dbraw/zinc/39/31/51/702393151.db2.gz ZTQFIOWXBNMYIT-HZGVNTEJSA-N 0 1 300.217 1.355 20 5 DDBDMN C[C@@H](CC[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842789575 702773998 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CO[C@@H]1CC[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000852151076 703945829 /nfs/dbraw/zinc/94/58/29/703945829.db2.gz CXCMERGIFRHUHL-CHWSQXEVSA-N 0 1 306.366 1.679 20 5 DDBDMN C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000871432436 704293284 /nfs/dbraw/zinc/29/32/84/704293284.db2.gz VHBVRIREORCAPA-YRGRVCCFSA-N 0 1 312.753 1.415 20 5 DDBDMN C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858603912 704733641 /nfs/dbraw/zinc/73/36/41/704733641.db2.gz XTJLJHHRFBFHBY-QMTHXVAHSA-N 0 1 318.377 1.981 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1Br ZINC000874633636 705122848 /nfs/dbraw/zinc/12/28/48/705122848.db2.gz QDULUDGANBMMKK-SKWCMTHISA-N 0 1 314.139 1.687 20 5 DDBDMN CO[C@@H]1CN(C)[C@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339491 705433304 /nfs/dbraw/zinc/43/33/04/705433304.db2.gz CDWSWBMNCLSUOB-NHYWBVRUSA-N 0 1 308.334 1.861 20 5 DDBDMN CCc1cc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000825869022 705738765 /nfs/dbraw/zinc/73/87/65/705738765.db2.gz MULMAYXJQFURHF-CYBMUJFWSA-N 0 1 304.306 1.230 20 5 DDBDMN CCN1CCN(c2ccc(CC(=O)OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000827808259 706070008 /nfs/dbraw/zinc/07/00/08/706070008.db2.gz XULJHHRWXLKRDA-LBPRGKRZSA-N 0 1 321.377 1.841 20 5 DDBDMN O=C(NC12CCN(CC1)C2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000828009392 706103041 /nfs/dbraw/zinc/10/30/41/706103041.db2.gz FQSHMXAJEULYLK-UONOGXRCSA-N 0 1 301.346 1.663 20 5 DDBDMN C[C@@H]1[NH2+]CC[C@H]1[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000864616390 706214104 /nfs/dbraw/zinc/21/41/04/706214104.db2.gz JBMHSIPMBVAIQA-GZMMTYOYSA-N 0 1 315.276 1.433 20 5 DDBDMN CO[C@H](C)CS(=O)(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000829872192 706410829 /nfs/dbraw/zinc/41/08/29/706410829.db2.gz LBXQMUKGCFDGOY-SSDOTTSWSA-N 0 1 306.315 1.819 20 5 DDBDMN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039688 707284130 /nfs/dbraw/zinc/28/41/30/707284130.db2.gz UFKMKYKHPJEMKM-NOZJJQNGSA-N 0 1 308.313 1.852 20 5 DDBDMN COC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872068678 707287036 /nfs/dbraw/zinc/28/70/36/707287036.db2.gz HUQPWHXSZSFIDX-UWVGGRQHSA-N 0 1 300.380 1.975 20 5 DDBDMN COC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872068674 707287072 /nfs/dbraw/zinc/28/70/72/707287072.db2.gz HUQPWHXSZSFIDX-NXEZZACHSA-N 0 1 300.380 1.975 20 5 DDBDMN COC(=O)C(C)(C)CN(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000882216241 707542328 /nfs/dbraw/zinc/54/23/28/707542328.db2.gz TWFLXLCJOJLTNX-GHMZBOCLSA-N 0 1 300.355 1.335 20 5 DDBDMN Cc1nn(CN2C[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000872786021 707601128 /nfs/dbraw/zinc/60/11/28/707601128.db2.gz OGCUDETWFYVXHY-TXEJJXNPSA-N 0 1 302.334 1.789 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCCS(=O)(=O)C1CC1 ZINC000873132166 707743135 /nfs/dbraw/zinc/74/31/35/707743135.db2.gz KASUOCOPDGWYNX-UHFFFAOYSA-N 0 1 312.391 1.878 20 5 DDBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(N2CCCC2)C1 ZINC000898617015 708814549 /nfs/dbraw/zinc/81/45/49/708814549.db2.gz 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COC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000593021468 355771685 /nfs/dbraw/zinc/77/16/85/355771685.db2.gz PJCRMGIKFRELNV-ZDUSSCGKSA-N 0 1 308.334 1.896 20 5 DDBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000593291086 355846927 /nfs/dbraw/zinc/84/69/27/355846927.db2.gz XQMNZFMQGZWKAP-LDYMZIIASA-N 0 1 307.306 1.131 20 5 DDBDMN CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])S(C)(=O)=O ZINC000594496771 356237501 /nfs/dbraw/zinc/23/75/01/356237501.db2.gz VCKUZLUWIWHUAD-GFCCVEGCSA-N 0 1 312.391 1.995 20 5 DDBDMN CO[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)C ZINC000594756469 356308989 /nfs/dbraw/zinc/30/89/89/356308989.db2.gz HFPQFBJZKRCJJQ-JTQLQIEISA-N 0 1 317.367 1.329 20 5 DDBDMN CC(C)(C)[C@@H](CCO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594763100 356310536 /nfs/dbraw/zinc/31/05/36/356310536.db2.gz VOJGXVAYBXWVEK-SNVBAGLBSA-N 0 1 317.367 1.065 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@H](O)C13CCC3)OCCO2 ZINC000594988249 356368686 /nfs/dbraw/zinc/36/86/86/356368686.db2.gz OHNBFUYNIAYLGN-GJZGRUSLSA-N 0 1 320.345 1.759 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000594973955 356366674 /nfs/dbraw/zinc/36/66/74/356366674.db2.gz IANVZVCVBCLAKB-YPMHNXCESA-N 0 1 312.391 1.959 20 5 DDBDMN CN(Cc1n[nH]c(=O)o1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595547933 356544596 /nfs/dbraw/zinc/54/45/96/356544596.db2.gz UMPSJRUFNFTDAO-UHFFFAOYSA-N 0 1 322.277 1.182 20 5 DDBDMN CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081556683 192290826 /nfs/dbraw/zinc/29/08/26/192290826.db2.gz XESUDVFLGSKCDT-QWRGUYRKSA-N 0 1 322.365 1.236 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1n[nH]c(=O)o1 ZINC000595547131 356543071 /nfs/dbraw/zinc/54/30/71/356543071.db2.gz MKGJTZFZLTUHJX-MRVPVSSYSA-N 0 1 321.293 1.142 20 5 DDBDMN C[C@@]12COC[C@@H]1CN(Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595760625 356642031 /nfs/dbraw/zinc/64/20/31/356642031.db2.gz UWYPFBDHFMEFMV-XJKSGUPXSA-N 0 1 320.345 1.930 20 5 DDBDMN CN(C(=O)CN1CC[C@@H]2COC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595829512 356666658 /nfs/dbraw/zinc/66/66/58/356666658.db2.gz IGDDJANBBURVBU-OLZOCXBDSA-N 0 1 319.361 1.526 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccon2)CC1 ZINC000595829176 356667276 /nfs/dbraw/zinc/66/72/76/356667276.db2.gz QQDVVCJJYIWSBY-UHFFFAOYSA-N 0 1 318.333 1.624 20 5 DDBDMN COCC(C)(C)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596280620 356842852 /nfs/dbraw/zinc/84/28/52/356842852.db2.gz IQKZVZSEYQJMIA-UHFFFAOYSA-N 0 1 310.354 1.242 20 5 DDBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2[nH]cnc2C1 ZINC000596866949 357000440 /nfs/dbraw/zinc/00/04/40/357000440.db2.gz ACQYDLBANHZXRJ-LLVKDONJSA-N 0 1 300.318 1.739 20 5 DDBDMN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118561 357066196 /nfs/dbraw/zinc/06/61/96/357066196.db2.gz YHIQTWKPHPWEAC-DVVUODLYSA-N 0 1 318.333 1.758 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCc2n[nH]nc21 ZINC000597306686 357130294 /nfs/dbraw/zinc/13/02/94/357130294.db2.gz SAVYZGRKKCEFTL-NSHDSACASA-N 0 1 315.333 1.492 20 5 DDBDMN CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597857683 357359897 /nfs/dbraw/zinc/35/98/97/357359897.db2.gz IWXXRGVXQHZTPO-SNVBAGLBSA-N 0 1 308.338 1.298 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597857683 357359901 /nfs/dbraw/zinc/35/99/01/357359901.db2.gz IWXXRGVXQHZTPO-SNVBAGLBSA-N 0 1 308.338 1.298 20 5 DDBDMN C[C@@]1(C2CC2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000597925831 357384342 /nfs/dbraw/zinc/38/43/42/357384342.db2.gz YKAPGMWIJVJOHT-HNNXBMFYSA-N 0 1 306.318 1.942 20 5 DDBDMN C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000598471217 357595416 /nfs/dbraw/zinc/59/54/16/357595416.db2.gz BPJGPENEDVBWGZ-CABZTGNLSA-N 0 1 304.306 1.212 20 5 DDBDMN COC(=O)c1ccnc(N[C@H](C)Cc2cc(C)n[nH]2)c1[N+](=O)[O-] ZINC000598602749 357649838 /nfs/dbraw/zinc/64/98/38/357649838.db2.gz BIEYIXWPLLHPRX-MRVPVSSYSA-N 0 1 319.321 1.851 20 5 DDBDMN CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598747073 357713817 /nfs/dbraw/zinc/71/38/17/357713817.db2.gz VLLRTFUFDZCMRX-VIFPVBQESA-N 0 1 308.338 1.298 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598747073 357713821 /nfs/dbraw/zinc/71/38/21/357713821.db2.gz VLLRTFUFDZCMRX-VIFPVBQESA-N 0 1 308.338 1.298 20 5 DDBDMN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000599234382 357857907 /nfs/dbraw/zinc/85/79/07/357857907.db2.gz AXBITNSGQGBNMT-MRVPVSSYSA-N 0 1 302.356 1.185 20 5 DDBDMN CC(C)CCC[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599202803 357849181 /nfs/dbraw/zinc/84/91/81/357849181.db2.gz IWTDKCILCIXJFK-JTQLQIEISA-N 0 1 318.399 1.821 20 5 DDBDMN CO[C@H]1C[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000599519100 357962795 /nfs/dbraw/zinc/96/27/95/357962795.db2.gz ZESYMANWCMTOCG-DTORHVGOSA-N 0 1 318.326 1.437 20 5 DDBDMN O=C(NC[C@H](CCO)c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000179607552 199062991 /nfs/dbraw/zinc/06/29/91/199062991.db2.gz YPCZOKHKZOMVKH-NSHDSACASA-N 0 1 304.306 1.214 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCCN1 ZINC000599605142 357990456 /nfs/dbraw/zinc/99/04/56/357990456.db2.gz TXPRKLDSWIAKQK-LLVKDONJSA-N 0 1 308.338 1.322 20 5 DDBDMN C[C@@H]1CC(F)(F)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599621812 357995122 /nfs/dbraw/zinc/99/51/22/357995122.db2.gz GMMIYEWWQGWWLA-SNVBAGLBSA-N 0 1 301.293 1.876 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(=O)[nH]n2)c1[N+](=O)[O-] ZINC000600485972 358237974 /nfs/dbraw/zinc/23/79/74/358237974.db2.gz AWLAVDDLGWYLSE-VIFPVBQESA-N 0 1 318.293 1.099 20 5 DDBDMN O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600521125 358248019 /nfs/dbraw/zinc/24/80/19/358248019.db2.gz USJVEXYIAGCNSL-NOZJJQNGSA-N 0 1 316.317 1.768 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000602019111 358778621 /nfs/dbraw/zinc/77/86/21/358778621.db2.gz AYXZUPULJXMZDC-CQSZACIVSA-N 0 1 312.297 1.657 20 5 DDBDMN CC(C)[C@H]1CNCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000602530696 359030234 /nfs/dbraw/zinc/03/02/34/359030234.db2.gz SCDYAQFAGRAUQF-CQSZACIVSA-N 0 1 307.350 1.430 20 5 DDBDMN CO[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602707377 359138272 /nfs/dbraw/zinc/13/82/72/359138272.db2.gz UUWCSKDQGLBLTR-IINYFYTJSA-N 0 1 321.333 1.877 20 5 DDBDMN C[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000187123629 200064821 /nfs/dbraw/zinc/06/48/21/200064821.db2.gz VWIIABPBVOHXGG-MWLCHTKSSA-N 0 1 308.338 1.250 20 5 DDBDMN C[C@@H]1C[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000187123629 200064823 /nfs/dbraw/zinc/06/48/23/200064823.db2.gz VWIIABPBVOHXGG-MWLCHTKSSA-N 0 1 308.338 1.250 20 5 DDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN[C@H](C)C1 ZINC000188422992 200244238 /nfs/dbraw/zinc/24/42/38/200244238.db2.gz CHGKRPAKTUCZKN-MNOVXSKESA-N 0 1 309.391 1.896 20 5 DDBDMN Cc1[nH]ncc1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000281166335 216125066 /nfs/dbraw/zinc/12/50/66/216125066.db2.gz LYNMVDVSSMVSCN-UHFFFAOYSA-N 0 1 324.362 1.288 20 5 DDBDMN Cn1c(C(=O)Nc2cnn(-c3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000608901336 360252789 /nfs/dbraw/zinc/25/27/89/360252789.db2.gz VDAFYNSZQBWBFZ-UHFFFAOYSA-N 0 1 312.289 1.766 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609572572 360326418 /nfs/dbraw/zinc/32/64/18/360326418.db2.gz FEGWCYYWDUTHFJ-JKSUJKDBSA-N 0 1 323.368 1.765 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCc3cn[nH]c3C2)c1 ZINC000611008550 360599792 /nfs/dbraw/zinc/59/97/92/360599792.db2.gz ASLZSHOLDFJMHH-CYBMUJFWSA-N 0 1 318.333 1.116 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](n2ccnc2)C1 ZINC000611555895 360757776 /nfs/dbraw/zinc/75/77/76/360757776.db2.gz CIMDLFKWFZVBTO-LBPRGKRZSA-N 0 1 316.317 1.974 20 5 DDBDMN Cc1cn2c(n1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000611908917 360854043 /nfs/dbraw/zinc/85/40/43/360854043.db2.gz WLHINBHFQOFNCR-UHFFFAOYSA-N 0 1 302.290 1.461 20 5 DDBDMN O=[N+]([O-])c1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c2c(c1)COCO2 ZINC000612134113 360928336 /nfs/dbraw/zinc/92/83/36/360928336.db2.gz GSJRKLHXOVSRQX-COLVAYQJSA-N 0 1 320.345 1.664 20 5 DDBDMN CN1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868831 363780234 /nfs/dbraw/zinc/78/02/34/363780234.db2.gz KPWCOCQJMMVFRT-CYBMUJFWSA-N 0 1 321.381 1.439 20 5 DDBDMN C[C@H](c1cccnc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000093228079 193219053 /nfs/dbraw/zinc/21/90/53/193219053.db2.gz DOUOGPNHURWRFK-GFCCVEGCSA-N 0 1 302.334 1.845 20 5 DDBDMN CCCCNC(=O)Cc1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000274973882 212052983 /nfs/dbraw/zinc/05/29/83/212052983.db2.gz CPVZEGMAOTZECN-UHFFFAOYSA-N 0 1 320.305 1.809 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](C3OCCO3)C2)c1[N+](=O)[O-] ZINC000264694152 204083232 /nfs/dbraw/zinc/08/32/32/204083232.db2.gz USERBZXAXAUGOT-VIFPVBQESA-N 0 1 324.337 1.105 20 5 DDBDMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280808619 284352523 /nfs/dbraw/zinc/35/25/23/284352523.db2.gz QJFVZJPUJOCMQK-LLVKDONJSA-N 0 1 307.350 1.714 20 5 DDBDMN C[C@@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000282935189 217336982 /nfs/dbraw/zinc/33/69/82/217336982.db2.gz GDHBTDUKGXGNMN-KOLCDFICSA-N 0 1 315.333 1.695 20 5 DDBDMN C[C@@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000282935189 217336986 /nfs/dbraw/zinc/33/69/86/217336986.db2.gz GDHBTDUKGXGNMN-KOLCDFICSA-N 0 1 315.333 1.695 20 5 DDBDMN Cc1cc(NC[C@H]2C[N@H+](C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579478616 422777688 /nfs/dbraw/zinc/77/76/88/422777688.db2.gz BQQCRXRQVSCAIE-NSHDSACASA-N 0 1 309.322 1.344 20 5 DDBDMN Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579478616 422777691 /nfs/dbraw/zinc/77/76/91/422777691.db2.gz BQQCRXRQVSCAIE-NSHDSACASA-N 0 1 309.322 1.344 20 5 DDBDMN Cc1ncc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000339289600 250393045 /nfs/dbraw/zinc/39/30/45/250393045.db2.gz FTDGIBJZPZLUSZ-SNVBAGLBSA-N 0 1 316.321 1.348 20 5 DDBDMN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352130539 284809889 /nfs/dbraw/zinc/80/98/89/284809889.db2.gz ZLBMMFCWXHZDBI-HUUCEWRRSA-N 0 1 314.297 1.689 20 5 DDBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000341097795 251378726 /nfs/dbraw/zinc/37/87/26/251378726.db2.gz ISXWOGSQCWRASM-PHIMTYICSA-N 0 1 321.381 1.764 20 5 DDBDMN Cn1ccnc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567679961 304233680 /nfs/dbraw/zinc/23/36/80/304233680.db2.gz KYCQWOHWPQJMNZ-UHFFFAOYSA-N 0 1 303.322 1.447 20 5 DDBDMN CCN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288614038 220290427 /nfs/dbraw/zinc/29/04/27/220290427.db2.gz XHIYPXYBKWDFDG-CYBMUJFWSA-N 0 1 320.393 1.949 20 5 DDBDMN CN([C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)[C@@H]1CCC[C@@H]1O ZINC000352668259 285211201 /nfs/dbraw/zinc/21/12/01/285211201.db2.gz QQJFICOFDACSCV-KFWWJZLASA-N 0 1 319.361 1.545 20 5 DDBDMN COc1ccc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1[N+](=O)[O-] ZINC000425062311 533309700 /nfs/dbraw/zinc/30/97/00/533309700.db2.gz CUZOVHSYIOAZPE-SNVBAGLBSA-N 0 1 317.305 1.351 20 5 DDBDMN COc1cccc(C(=O)NCCc2nc(C)n[nH]2)c1[N+](=O)[O-] ZINC000444180650 533407901 /nfs/dbraw/zinc/40/79/01/533407901.db2.gz GTGNODAVBHAFLI-UHFFFAOYSA-N 0 1 305.294 1.002 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)[C@@H](C)C1 ZINC000568411612 304292424 /nfs/dbraw/zinc/29/24/24/304292424.db2.gz WGLXCJUVSLFVJF-PHIMTYICSA-N 0 1 321.381 1.586 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000078544624 407032977 /nfs/dbraw/zinc/03/29/77/407032977.db2.gz SBQSKRZFMGPMBG-GFCCVEGCSA-N 0 1 321.381 1.352 20 5 DDBDMN O=C(NCCc1nccs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000050772976 407131620 /nfs/dbraw/zinc/13/16/20/407131620.db2.gz BUBHKCFMWNQPMF-UHFFFAOYSA-N 0 1 317.330 1.900 20 5 DDBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000105612116 407354952 /nfs/dbraw/zinc/35/49/52/407354952.db2.gz NDGJYZRCLCWWTE-CYBMUJFWSA-N 0 1 307.350 1.574 20 5 DDBDMN Cn1ccnc1C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000123721905 407337145 /nfs/dbraw/zinc/33/71/45/407337145.db2.gz GIWNPGBYNHRANB-ZDUSSCGKSA-N 0 1 318.381 1.480 20 5 DDBDMN CC(C)[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178746194 407581690 /nfs/dbraw/zinc/58/16/90/407581690.db2.gz GTCJRUGZEDJNHJ-LBPRGKRZSA-N 0 1 320.342 1.419 20 5 DDBDMN C[C@H](CN1CCOCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000271139936 407534237 /nfs/dbraw/zinc/53/42/37/407534237.db2.gz RWJOISAKUBHBOB-GFCCVEGCSA-N 0 1 307.350 1.179 20 5 DDBDMN CC(C)(C)C(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000133419452 407841381 /nfs/dbraw/zinc/84/13/81/407841381.db2.gz MDNMSIAIVLVECR-UHFFFAOYSA-N 0 1 318.326 1.627 20 5 DDBDMN Cc1c(C[N@@H+](C)CCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000174714733 407982453 /nfs/dbraw/zinc/98/24/53/407982453.db2.gz VZRGYHJDBASIKZ-UHFFFAOYSA-N 0 1 320.437 1.973 20 5 DDBDMN CC(C)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1=O ZINC000272461807 407930915 /nfs/dbraw/zinc/93/09/15/407930915.db2.gz CHOMDIJFQWLQAY-GFCCVEGCSA-N 0 1 307.306 1.040 20 5 DDBDMN C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000182045119 408067745 /nfs/dbraw/zinc/06/77/45/408067745.db2.gz OGDRVHDVQULUOU-WDEREUQCSA-N 0 1 307.350 1.855 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2c2ncon2)c1[N+](=O)[O-] ZINC000273186184 408097907 /nfs/dbraw/zinc/09/79/07/408097907.db2.gz FUFWUAWLLNYKBK-SECBINFHSA-N 0 1 320.309 1.767 20 5 DDBDMN Cc1[nH+]ccn1CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273300287 408144708 /nfs/dbraw/zinc/14/47/08/408144708.db2.gz KKCGKOVBUSDXLN-UHFFFAOYSA-N 0 1 304.306 1.625 20 5 DDBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+](C)C1 ZINC000151105422 408256113 /nfs/dbraw/zinc/25/61/13/408256113.db2.gz AKIAJQADTDQWAD-NSHDSACASA-N 0 1 317.349 1.637 20 5 DDBDMN COC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246371195 408234791 /nfs/dbraw/zinc/23/47/91/408234791.db2.gz LVUMSQJTJSQXSU-GHMZBOCLSA-N 0 1 323.349 1.663 20 5 DDBDMN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274177844 408317251 /nfs/dbraw/zinc/31/72/51/408317251.db2.gz CJYGOXJUDHQGIH-RISCZKNCSA-N 0 1 306.318 1.988 20 5 DDBDMN C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000182938166 408288684 /nfs/dbraw/zinc/28/86/84/408288684.db2.gz SQWFMYYYYIHRGE-YUMQZZPRSA-N 0 1 307.285 1.833 20 5 DDBDMN COc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)c(OC)c1 ZINC000176193088 408304194 /nfs/dbraw/zinc/30/41/94/408304194.db2.gz HZWQZNBVONPQKD-UHFFFAOYSA-N 0 1 320.349 1.941 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000274480899 408423450 /nfs/dbraw/zinc/42/34/50/408423450.db2.gz ABEDNELSRYVNDQ-CQSZACIVSA-N 0 1 324.337 1.073 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000264477034 408507732 /nfs/dbraw/zinc/50/77/32/408507732.db2.gz HFHMAWUWEDMDIC-GFCCVEGCSA-N 0 1 323.349 1.054 20 5 DDBDMN Cc1ccc([C@H](C)NC(=O)CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000177251318 408565753 /nfs/dbraw/zinc/56/57/53/408565753.db2.gz RGQJSYGMKBIQBD-JTQLQIEISA-N 0 1 303.322 1.831 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CCN(CC(C)(C)O)[C@H](C)C2)c1 ZINC000275432670 408587453 /nfs/dbraw/zinc/58/74/53/408587453.db2.gz FABGEWJWSNHHFD-GFCCVEGCSA-N 0 1 323.393 1.885 20 5 DDBDMN CC[C@@]1(CO)CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000275860906 408699883 /nfs/dbraw/zinc/69/98/83/408699883.db2.gz ISTJUVHHIMMFIE-AWEZNQCLSA-N 0 1 310.354 1.818 20 5 DDBDMN CC(C)(C)c1nnc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC000270943723 408752567 /nfs/dbraw/zinc/75/25/67/408752567.db2.gz WAHADVUFROJXSX-UHFFFAOYSA-N 0 1 310.339 1.397 20 5 DDBDMN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000189683944 163111089 /nfs/dbraw/zinc/11/10/89/163111089.db2.gz AEGKDIVJYIIATC-LLVKDONJSA-N 0 1 313.427 1.735 20 5 DDBDMN CNC(=O)c1ccc(N[C@H](C)c2n[nH]c(C)n2)c([N+](=O)[O-])c1 ZINC000286393053 408977145 /nfs/dbraw/zinc/97/71/45/408977145.db2.gz MRKVZENNSZUTMG-SSDOTTSWSA-N 0 1 304.310 1.554 20 5 DDBDMN Cc1cc(N2CC[C@@H]3OCCN(C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336546 409026066 /nfs/dbraw/zinc/02/60/66/409026066.db2.gz BCPJIDISWIIAHN-GJZGRUSLSA-N 0 1 309.341 1.952 20 5 DDBDMN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000287413390 409034203 /nfs/dbraw/zinc/03/42/03/409034203.db2.gz ZOHKURQVQWIZFL-JQWIXIFHSA-N 0 1 320.349 1.394 20 5 DDBDMN COC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247051122 163539817 /nfs/dbraw/zinc/53/98/17/163539817.db2.gz SOLKBCFSRANGBQ-WDEREUQCSA-N 0 1 323.349 1.663 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCCO ZINC000289293439 409245077 /nfs/dbraw/zinc/24/50/77/409245077.db2.gz YNSGZNUJHQVSKY-UHFFFAOYSA-N 0 1 306.315 1.175 20 5 DDBDMN COC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284237536 409301790 /nfs/dbraw/zinc/30/17/90/409301790.db2.gz VKPXXWZDUJKDLE-ZDUSSCGKSA-N 0 1 313.310 1.380 20 5 DDBDMN Cc1n[nH]c(C(=O)N(CCCO)Cc2ccccn2)c1[N+](=O)[O-] ZINC000280620977 409385081 /nfs/dbraw/zinc/38/50/81/409385081.db2.gz RURAEJPLLYZKGV-UHFFFAOYSA-N 0 1 319.321 1.046 20 5 DDBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@@H+](C2CC2)C1 ZINC000295288999 409415340 /nfs/dbraw/zinc/41/53/40/409415340.db2.gz IJICRUBTZSLBKM-SNVBAGLBSA-N 0 1 320.349 1.252 20 5 DDBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[N@H+](C2CC2)C1 ZINC000295288999 409415344 /nfs/dbraw/zinc/41/53/44/409415344.db2.gz IJICRUBTZSLBKM-SNVBAGLBSA-N 0 1 320.349 1.252 20 5 DDBDMN CNc1c(C(=O)N2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000321879610 164044433 /nfs/dbraw/zinc/04/44/33/164044433.db2.gz PYWVFBLYGVCBRP-UHFFFAOYSA-N 0 1 318.377 1.804 20 5 DDBDMN COc1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000295393347 409463247 /nfs/dbraw/zinc/46/32/47/409463247.db2.gz JGLLNRNYYOZKGW-UHFFFAOYSA-N 0 1 317.305 1.529 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000408098374 164227138 /nfs/dbraw/zinc/22/71/38/164227138.db2.gz FNKBGWIPWKLNPX-LLVKDONJSA-N 0 1 307.354 1.327 20 5 DDBDMN CC(C)(C)Oc1cccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000348861729 409558996 /nfs/dbraw/zinc/55/89/96/409558996.db2.gz RAJXMBJYKWINGL-UHFFFAOYSA-N 0 1 319.321 1.820 20 5 DDBDMN Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)n[nH]1 ZINC000337883208 409534811 /nfs/dbraw/zinc/53/48/11/409534811.db2.gz ZRWXWUDQXLXLSG-LLVKDONJSA-N 0 1 304.310 1.717 20 5 DDBDMN NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356757421 409577439 /nfs/dbraw/zinc/57/74/39/409577439.db2.gz ABIXQLYGIAZPEN-STQMWFEESA-N 0 1 321.333 1.464 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000296915022 409703782 /nfs/dbraw/zinc/70/37/82/409703782.db2.gz LGXJKFZYRULXCR-LBPRGKRZSA-N 0 1 309.370 1.124 20 5 DDBDMN C[N@H+]1CC[C@@]2(CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)C1 ZINC000319359690 409892363 /nfs/dbraw/zinc/89/23/63/409892363.db2.gz AYNFMROBIULSKW-OAHLLOKOSA-N 0 1 305.334 1.825 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H]1C ZINC000351940182 410353933 /nfs/dbraw/zinc/35/39/33/410353933.db2.gz ZUCYTKUUCNAYSQ-NXEZZACHSA-N 0 1 307.354 1.127 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1C ZINC000346997046 410300490 /nfs/dbraw/zinc/30/04/90/410300490.db2.gz CBNQOEATZXNIOC-CMPLNLGQSA-N 0 1 308.334 1.987 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(=O)OC)[C@@H]2C)c1[N+](=O)[O-] ZINC000347150681 410363121 /nfs/dbraw/zinc/36/31/21/410363121.db2.gz YFIFINICEQKUFE-DTWKUNHWSA-N 0 1 324.337 1.294 20 5 DDBDMN COc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c([N+](=O)[O-])cc1OC ZINC000355662490 410629615 /nfs/dbraw/zinc/62/96/15/410629615.db2.gz IGWOWXPFFUJAJU-ZETCQYMHSA-N 0 1 321.293 1.221 20 5 DDBDMN CNc1c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000359410279 410646548 /nfs/dbraw/zinc/64/65/48/410646548.db2.gz FGUBPAXVLFHAGZ-SECBINFHSA-N 0 1 315.333 1.647 20 5 DDBDMN C[C@H](O)C[N@H+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330453929 410702372 /nfs/dbraw/zinc/70/23/72/410702372.db2.gz MDDOIBCSIRSLFX-RYUDHWBXSA-N 0 1 309.366 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/nfs/dbraw/zinc/52/53/04/896525304.db2.gz OBBXGRAPWVEQPF-ZDUSSCGKSA-N 0 1 314.345 1.831 20 5 DDBDMN CNC(=O)N[C@H]1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254612450 896533510 /nfs/dbraw/zinc/53/35/10/896533510.db2.gz WGZXYXXBOCDWBK-DZGCQCFKSA-N 0 1 318.377 1.455 20 5 DDBDMN COC(=O)C1(O)CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254611388 896533764 /nfs/dbraw/zinc/53/37/64/896533764.db2.gz QAICTTASZQABJU-CQSZACIVSA-N 0 1 320.345 1.062 20 5 DDBDMN C=C/C(C)=C/CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001280757276 903999369 /nfs/dbraw/zinc/99/93/69/903999369.db2.gz GATAIYNPKSYCJR-VOLOMJDKSA-N 0 1 321.377 1.185 20 5 DDBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1[nH]ncc1F ZINC001297106294 916732102 /nfs/dbraw/zinc/73/21/02/916732102.db2.gz ZPOPJOSJSSTWEH-UHFFFAOYSA-N 0 1 304.241 1.263 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCNCC1(C)C ZINC000088139227 185240487 /nfs/dbraw/zinc/24/04/87/185240487.db2.gz ASOFRKGAKUHVAY-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000563813531 303974961 /nfs/dbraw/zinc/97/49/61/303974961.db2.gz NJDFSFQPQHCZGM-VIFPVBQESA-N 0 1 317.305 1.795 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2n[nH]c(C)n2)n1 ZINC000286637864 219097528 /nfs/dbraw/zinc/09/75/28/219097528.db2.gz VPWRQRJQZZACDB-ZCFIWIBFSA-N 0 1 306.282 1.376 20 5 DDBDMN COC[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279640498 215025594 /nfs/dbraw/zinc/02/55/94/215025594.db2.gz CVODKCHMZRCOMP-GFCCVEGCSA-N 0 1 306.318 1.952 20 5 DDBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ncon1 ZINC000287172991 219359425 /nfs/dbraw/zinc/35/94/25/219359425.db2.gz SHOLSNHCQHJPFR-LLVKDONJSA-N 0 1 306.278 1.811 20 5 DDBDMN COC(=O)CCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032278567 352276931 /nfs/dbraw/zinc/27/69/31/352276931.db2.gz WNYMJSMDPMKQSC-UHFFFAOYSA-N 0 1 320.305 1.496 20 5 DDBDMN CNC(=O)c1ccc(N2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000053557895 352660814 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Cc1nnsc1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584775500 354764835 /nfs/dbraw/zinc/76/48/35/354764835.db2.gz LHSLMKNKPBCYAX-JTQLQIEISA-N 0 1 324.362 1.284 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([C@H](C)O)C2)c1 ZINC000589510897 354997933 /nfs/dbraw/zinc/99/79/33/354997933.db2.gz UNJXPNISUIDLIX-CMPLNLGQSA-N 0 1 308.334 1.584 20 5 DDBDMN CCOC(=O)c1c[nH]c(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000590355229 355075866 /nfs/dbraw/zinc/07/58/66/355075866.db2.gz KTVKBVCUKWSLIV-UHFFFAOYSA-N 0 1 305.250 1.142 20 5 DDBDMN Cc1cc(NC[C@@H](C)[NH+]2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968705 355758202 /nfs/dbraw/zinc/75/82/02/355758202.db2.gz CIXCPDCQYLNEIR-LLVKDONJSA-N 0 1 323.349 1.734 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN(CCCO)CC1 ZINC000593457184 355891601 /nfs/dbraw/zinc/89/16/01/355891601.db2.gz JNUNCPPGVBPJFA-UHFFFAOYSA-N 0 1 316.361 1.647 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](CC)OC[C@@H]2CC)c1[N+](=O)[O-] ZINC000593791637 355996163 /nfs/dbraw/zinc/99/61/63/355996163.db2.gz WNWBAPVUDBECPA-VHSXEESVSA-N 0 1 310.354 1.910 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000593829071 356014104 /nfs/dbraw/zinc/01/41/04/356014104.db2.gz BQEGCBWPRLHMOM-SNVBAGLBSA-N 0 1 324.381 1.922 20 5 DDBDMN Cc1nocc1CS(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000594685256 356284132 /nfs/dbraw/zinc/28/41/32/356284132.db2.gz GRQFNLJGOUBNMF-UHFFFAOYSA-N 0 1 312.303 1.712 20 5 DDBDMN C[C@H]1C[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 ZINC000594768198 356311656 /nfs/dbraw/zinc/31/16/56/356311656.db2.gz SMQOMEONYCRKGF-VHSXEESVSA-N 0 1 315.351 1.083 20 5 DDBDMN CC[C@@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCO1 ZINC000594785011 356315731 /nfs/dbraw/zinc/31/57/31/356315731.db2.gz GVIGONFNMQWTNJ-NXEZZACHSA-N 0 1 315.351 1.226 20 5 DDBDMN C[C@@H]1C[C@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](C)O1 ZINC000594784261 356315849 /nfs/dbraw/zinc/31/58/49/356315849.db2.gz RBYXUGDANSUAGQ-KXUCPTDWSA-N 0 1 315.351 1.082 20 5 DDBDMN CN1CC[C@@H](N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000594874454 356346589 /nfs/dbraw/zinc/34/65/89/356346589.db2.gz PBVLHXDSMLBEFJ-CYBMUJFWSA-N 0 1 319.365 1.097 20 5 DDBDMN Cc1noc(CN2CCN(C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000595337162 356453779 /nfs/dbraw/zinc/45/37/79/356453779.db2.gz UXWAZEORIPUWJC-GFCCVEGCSA-N 0 1 310.354 1.045 20 5 DDBDMN CC(NS(=O)(=O)c1ncccc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000595360315 356464620 /nfs/dbraw/zinc/46/46/20/356464620.db2.gz FJJRXSNEYONTKP-UHFFFAOYSA-N 0 1 311.363 1.847 20 5 DDBDMN CNC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000081556686 192292168 /nfs/dbraw/zinc/29/21/68/192292168.db2.gz XESUDVFLGSKCDT-MNOVXSKESA-N 0 1 322.365 1.236 20 5 DDBDMN COc1cc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595728782 356625087 /nfs/dbraw/zinc/62/50/87/356625087.db2.gz OWHMWUFJAAJYAS-OLZOCXBDSA-N 0 1 319.361 1.704 20 5 DDBDMN COc1cc(CNCCOCCF)c([N+](=O)[O-])cc1OC ZINC000596056966 356755324 /nfs/dbraw/zinc/75/53/24/356755324.db2.gz CKXNPHDWBABAMC-UHFFFAOYSA-N 0 1 302.302 1.688 20 5 DDBDMN COCc1nc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)n[nH]1 ZINC000596437448 356881183 /nfs/dbraw/zinc/88/11/83/356881183.db2.gz YJOAMJCRFVXDPA-UHFFFAOYSA-N 0 1 304.310 1.439 20 5 DDBDMN COCc1nnc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)[nH]1 ZINC000596437448 356881187 /nfs/dbraw/zinc/88/11/87/356881187.db2.gz YJOAMJCRFVXDPA-UHFFFAOYSA-N 0 1 304.310 1.439 20 5 DDBDMN COCc1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000596634622 356937625 /nfs/dbraw/zinc/93/76/25/356937625.db2.gz AAYKRGXGCZBJBZ-UHFFFAOYSA-N 0 1 320.309 1.489 20 5 DDBDMN COCc1nnc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000596634622 356937630 /nfs/dbraw/zinc/93/76/30/356937630.db2.gz AAYKRGXGCZBJBZ-UHFFFAOYSA-N 0 1 320.309 1.489 20 5 DDBDMN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597862296 357362982 /nfs/dbraw/zinc/36/29/82/357362982.db2.gz ZOALUTIAGDDXKF-JTQLQIEISA-N 0 1 322.365 1.546 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597862296 357362986 /nfs/dbraw/zinc/36/29/86/357362986.db2.gz ZOALUTIAGDDXKF-JTQLQIEISA-N 0 1 322.365 1.546 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000597923764 357383581 /nfs/dbraw/zinc/38/35/81/357383581.db2.gz PJGSBLBUKDLQJB-JTQLQIEISA-N 0 1 307.350 1.903 20 5 DDBDMN CCN(Cc1cnn(C)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178580368 198891581 /nfs/dbraw/zinc/89/15/81/198891581.db2.gz KQZNJXASPNFUEL-OAHLLOKOSA-N 0 1 304.350 1.884 20 5 DDBDMN NC(=O)c1ccc(CN2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318303 363582937 /nfs/dbraw/zinc/58/29/37/363582937.db2.gz PLZHSRJHYGBEOO-UHFFFAOYSA-N 0 1 305.334 1.449 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CCOC1 ZINC000178775955 198929184 /nfs/dbraw/zinc/92/91/84/198929184.db2.gz ZJFCKPPYVIDVQI-RYUDHWBXSA-N 0 1 307.350 1.890 20 5 DDBDMN Cc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)c(C)c1[N+](=O)[O-] ZINC000598612785 357653371 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20 5 DDBDMN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccsc1 ZINC000979739428 696636689 /nfs/dbraw/zinc/63/66/89/696636689.db2.gz QCLIDOJBPGSXNF-HJQYOEGKSA-N 0 1 323.374 1.038 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000799064048 700112465 /nfs/dbraw/zinc/11/24/65/700112465.db2.gz LXUCCNNNOSNFQV-JTQLQIEISA-N 0 1 315.333 1.905 20 5 DDBDMN CNC(=O)CCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000157008883 696972013 /nfs/dbraw/zinc/97/20/13/696972013.db2.gz RHWHRAMJWQRCDA-UHFFFAOYSA-N 0 1 305.338 1.360 20 5 DDBDMN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)NC ZINC000735868540 699707536 /nfs/dbraw/zinc/70/75/36/699707536.db2.gz SABMKXXQWBQZGJ-UHFFFAOYSA-N 0 1 322.365 1.300 20 5 DDBDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@@H]2C1 ZINC000793934155 699787705 /nfs/dbraw/zinc/78/77/05/699787705.db2.gz XFRGRBNMENPCAW-MNOVXSKESA-N 0 1 305.334 1.324 20 5 DDBDMN Cc1nc(COC(=O)CSc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000795238800 699853698 /nfs/dbraw/zinc/85/36/98/699853698.db2.gz YKRKENAXYDVJPL-UHFFFAOYSA-N 0 1 308.319 1.857 20 5 DDBDMN COc1cc([C@H]2NC3(CCCC3)C(=O)N2C)cc([N+](=O)[O-])c1O ZINC000742438473 699878448 /nfs/dbraw/zinc/87/84/48/699878448.db2.gz CXPOKOMHGPSDIG-ZDUSSCGKSA-N 0 1 321.333 1.682 20 5 DDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000801917517 700353734 /nfs/dbraw/zinc/35/37/34/700353734.db2.gz FPPZCCHFJATIHN-UHFFFAOYSA-N 0 1 316.252 1.840 20 5 DDBDMN C[C@@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804441059 701190150 /nfs/dbraw/zinc/19/01/50/701190150.db2.gz ZPJORGCWHYBJRW-NSHDSACASA-N 0 1 323.353 1.551 20 5 DDBDMN Cc1cccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH+]1 ZINC000769108346 701232306 /nfs/dbraw/zinc/23/23/06/701232306.db2.gz JFEDRKWIZOBZEW-UHFFFAOYSA-N 0 1 316.317 1.846 20 5 DDBDMN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839508389 701720248 /nfs/dbraw/zinc/72/02/48/701720248.db2.gz PMIFIHIMPXOVQY-MGPQQGTHSA-N 0 1 306.318 1.848 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2cccc(F)c2F)CC1 ZINC000839683497 701782411 /nfs/dbraw/zinc/78/24/11/701782411.db2.gz ODNOQCXFINJZGQ-BXKDBHETSA-N 0 1 311.288 1.279 20 5 DDBDMN COc1ccc2c(c1)CCC[C@H]2CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725421 701797888 /nfs/dbraw/zinc/79/78/88/701797888.db2.gz NKHVCZVVQYOCTJ-NILFDRSVSA-N 0 1 304.346 1.897 20 5 DDBDMN CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000839786933 701826316 /nfs/dbraw/zinc/82/63/16/701826316.db2.gz ISCJVLSNJJSYJL-NZEXEKPDSA-N 0 1 322.365 1.162 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000839787635 701826748 /nfs/dbraw/zinc/82/67/48/701826748.db2.gz QMDYLYUVXUYHGY-UZWIWUQPSA-N 0 1 317.345 1.134 20 5 DDBDMN COC(=O)c1cc2cc(COC(=O)[C@@H]3CC3[N+](=O)[O-])ccc2o1 ZINC000840670888 702195021 /nfs/dbraw/zinc/19/50/21/702195021.db2.gz NCRVKXOUFGUGQN-GHMZBOCLSA-N 0 1 319.269 1.928 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000840672969 702196780 /nfs/dbraw/zinc/19/67/80/702196780.db2.gz UGRCRVFVRIRZDV-NRMKKVEVSA-N 0 1 324.308 1.600 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccccc1F ZINC000840673188 702197909 /nfs/dbraw/zinc/19/79/09/702197909.db2.gz SMLMROVKLXQALM-MKPLZMMCSA-N 0 1 310.281 1.039 20 5 DDBDMN COCCc1nc(C)c([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000842330082 702704318 /nfs/dbraw/zinc/70/43/18/702704318.db2.gz OGCNJRLCWZBLTQ-IVZWLZJFSA-N 0 1 314.363 1.910 20 5 DDBDMN Cn1c(COC(=O)[C@@H]2CC2[N+](=O)[O-])nnc1-c1ccc(F)cc1 ZINC000842345432 702706583 /nfs/dbraw/zinc/70/65/83/702706583.db2.gz LCLSTWOXGAGXGZ-GHMZBOCLSA-N 0 1 320.280 1.330 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(Oc2ccccc2F)CC1 ZINC000870241984 703970808 /nfs/dbraw/zinc/97/08/08/703970808.db2.gz APECMBSCXDVCTD-DGCLKSJQSA-N 0 1 308.309 1.861 20 5 DDBDMN C[C@@H](OC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nnc[nH]1 ZINC000853221994 704219961 /nfs/dbraw/zinc/21/99/61/704219961.db2.gz BVXZQHFIQFRQJQ-ZCFIWIBFSA-N 0 1 306.234 1.360 20 5 DDBDMN COc1cc(C(=O)O[C@@H](C)c2nnc[nH]2)cc([N+](=O)[O-])c1C ZINC000853223921 704220242 /nfs/dbraw/zinc/22/02/42/704220242.db2.gz BBRZNQJHGDMVRO-QMMMGPOBSA-N 0 1 306.278 1.948 20 5 DDBDMN CC(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)n[nH]1 ZINC000854740951 704446483 /nfs/dbraw/zinc/44/64/83/704446483.db2.gz DOVBSTNRYWIVGV-UHFFFAOYSA-N 0 1 307.285 1.905 20 5 DDBDMN Cc1ccc(-c2noc(C[C@H]3COCCN3)n2)cc1[N+](=O)[O-] ZINC000822722267 705020221 /nfs/dbraw/zinc/02/02/21/705020221.db2.gz CXXDAAGIHYGBDZ-NSHDSACASA-N 0 1 304.306 1.484 20 5 DDBDMN Nc1ccc(NC(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000823950699 705344093 /nfs/dbraw/zinc/34/40/93/705344093.db2.gz JQGMYQKKQCDBBF-UHFFFAOYSA-N 0 1 305.338 1.560 20 5 DDBDMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000823961562 705345940 /nfs/dbraw/zinc/34/59/40/705345940.db2.gz HBQIXCOWDDWOHU-MRVPVSSYSA-N 0 1 318.337 1.961 20 5 DDBDMN CCc1nc([C@H](C)NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000823973443 705348400 /nfs/dbraw/zinc/34/84/00/705348400.db2.gz IAHCLHRCSMTREZ-ZETCQYMHSA-N 0 1 319.325 1.740 20 5 DDBDMN O=C1[C@@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000863591316 705966185 /nfs/dbraw/zinc/96/61/85/705966185.db2.gz XGAAXGWXRANLPV-LSDHHAIUSA-N 0 1 319.361 1.371 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877836272 706227401 /nfs/dbraw/zinc/22/74/01/706227401.db2.gz SDDYOFMDYWTCHF-CYBMUJFWSA-N 0 1 322.361 1.974 20 5 DDBDMN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1C(C)(C)C ZINC000880614546 707042574 /nfs/dbraw/zinc/04/25/74/707042574.db2.gz WPXILMHJLPXJFQ-ZDUSSCGKSA-N 0 1 320.393 1.979 20 5 DDBDMN Cc1c(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000871878260 707229906 /nfs/dbraw/zinc/22/99/06/707229906.db2.gz HBRLLNLGSFAPHG-AWEZNQCLSA-N 0 1 321.377 1.932 20 5 DDBDMN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039689 707284146 /nfs/dbraw/zinc/28/41/46/707284146.db2.gz UFKMKYKHPJEMKM-RNCFNFMXSA-N 0 1 308.313 1.852 20 5 DDBDMN CCN1CC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000882489928 707660751 /nfs/dbraw/zinc/66/07/51/707660751.db2.gz HKEQPIFGYNFZRC-SNVBAGLBSA-N 0 1 307.306 1.148 20 5 DDBDMN Cc1c(CNC[C@@H]2CCCCS2(=O)=O)cccc1[N+](=O)[O-] ZINC000873105325 707733434 /nfs/dbraw/zinc/73/34/34/707733434.db2.gz ZEMNFSYUCHCUQM-ZDUSSCGKSA-N 0 1 312.391 1.960 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000873384796 707832244 /nfs/dbraw/zinc/83/22/44/707832244.db2.gz QMBXOKUHDJXVGI-PHIMTYICSA-N 0 1 310.354 1.516 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC(O)CC2)c1C ZINC000897919440 708493534 /nfs/dbraw/zinc/49/35/34/708493534.db2.gz OQZYFLHXDKVLOD-UHFFFAOYSA-N 0 1 321.377 1.398 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912907873 713120207 /nfs/dbraw/zinc/12/02/07/713120207.db2.gz JZNCNKNVXJOTMN-LBPRGKRZSA-N 0 1 319.361 1.914 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901540798 710069063 /nfs/dbraw/zinc/06/90/63/710069063.db2.gz DDDHCIPVQSZWQJ-DRDHIDPGSA-N 0 1 306.318 1.784 20 5 DDBDMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901541465 710069376 /nfs/dbraw/zinc/06/93/76/710069376.db2.gz IMAMNIURFJUWEB-CYBMUJFWSA-N 0 1 314.725 1.924 20 5 DDBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901541465 710069380 /nfs/dbraw/zinc/06/93/80/710069380.db2.gz IMAMNIURFJUWEB-CYBMUJFWSA-N 0 1 314.725 1.924 20 5 DDBDMN COc1c(O)ccc(CNCCOCC(F)(F)F)c1[N+](=O)[O-] ZINC000892503178 710448781 /nfs/dbraw/zinc/44/87/81/710448781.db2.gz YJABFUYCJGKIJO-UHFFFAOYSA-N 0 1 324.255 1.978 20 5 DDBDMN C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000928432592 713193299 /nfs/dbraw/zinc/19/32/99/713193299.db2.gz QVJPQQHAPVMZHB-XCBNKYQSSA-N 0 1 313.741 1.776 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1 ZINC000896558123 711751365 /nfs/dbraw/zinc/75/13/65/711751365.db2.gz YDZHAUNCFOVBHJ-SWLSCSKDSA-N 0 1 320.393 1.267 20 5 DDBDMN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC000896572424 711755702 /nfs/dbraw/zinc/75/57/02/711755702.db2.gz VBLUSBVZIRDZTC-GXSJLCMTSA-N 0 1 312.395 1.020 20 5 DDBDMN COc1ccc(Cl)cc1NC(=O)CCNCC[N+](=O)[O-] ZINC000905144618 711950175 /nfs/dbraw/zinc/95/01/75/711950175.db2.gz GBKACBQZWYNCCZ-UHFFFAOYSA-N 0 1 301.730 1.544 20 5 DDBDMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CC[N+](=O)[O-])C2)O1 ZINC000931704878 714165556 /nfs/dbraw/zinc/16/55/56/714165556.db2.gz RZYPANHCMONAFE-WBVHZDCISA-N 0 1 319.405 1.629 20 5 DDBDMN C[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932180671 714280500 /nfs/dbraw/zinc/28/05/00/714280500.db2.gz BUQUVXZLYLVNBI-XUJVJEKNSA-N 0 1 321.377 1.929 20 5 DDBDMN CCN(C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000934042229 714730053 /nfs/dbraw/zinc/73/00/53/714730053.db2.gz QKTFJDFKDXIBSN-UHFFFAOYSA-N 0 1 321.381 1.830 20 5 DDBDMN CC(C)(C(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC000947902855 719302983 /nfs/dbraw/zinc/30/29/83/719302983.db2.gz WEHAYTSNAWHNOF-CHWSQXEVSA-N 0 1 323.393 1.195 20 5 DDBDMN CN1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000611712218 719389449 /nfs/dbraw/zinc/38/94/49/719389449.db2.gz XZWBNTJGLXWLND-ZIAGYGMSSA-N 0 1 315.333 1.057 20 5 DDBDMN CCCN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000197045246 751357317 /nfs/dbraw/zinc/35/73/17/751357317.db2.gz ZFTLUCAFHTWABO-NSHDSACASA-N 0 1 313.379 1.357 20 5 DDBDMN Cc1cc(N(C)CCN(C)C(=O)c2ccn[nH]2)ccc1[N+](=O)[O-] ZINC001105339665 738312611 /nfs/dbraw/zinc/31/26/11/738312611.db2.gz SAOHFIQBOZIZNL-UHFFFAOYSA-N 0 1 317.349 1.835 20 5 DDBDMN Cc1ccc(NC2(CNC(=O)c3cnn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001110396307 744603165 /nfs/dbraw/zinc/60/31/65/744603165.db2.gz QAALUNFWRRTBKD-UHFFFAOYSA-N 0 1 316.321 1.396 20 5 DDBDMN CC(C)c1occc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000994380833 746621843 /nfs/dbraw/zinc/62/18/43/746621843.db2.gz NQRQEYOHVDCQLY-VXGBXAGGSA-N 0 1 321.333 1.009 20 5 DDBDMN CC(C)=CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060729492 747056072 /nfs/dbraw/zinc/05/60/72/747056072.db2.gz ATRIWODBYNTTKY-AAVRWANBSA-N 0 1 323.393 1.409 20 5 DDBDMN CC(=O)NCCN1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC001111309113 750442910 /nfs/dbraw/zinc/44/29/10/750442910.db2.gz DZKQCYOCGCUUHY-UHFFFAOYSA-N 0 1 321.381 1.311 20 5 DDBDMN CC(C)(C)/C=C\C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989815 753901180 /nfs/dbraw/zinc/90/11/80/753901180.db2.gz SOVJQEYWVBYCFY-OBBGCOQJSA-N 0 1 323.393 1.409 20 5 DDBDMN CC(C)CCC(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989771 753901785 /nfs/dbraw/zinc/90/17/85/753901785.db2.gz QSSPOUXUKIEXEU-VXGBXAGGSA-N 0 1 311.382 1.243 20 5 DDBDMN CCC(=CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC ZINC001079744038 755571071 /nfs/dbraw/zinc/57/10/71/755571071.db2.gz PMDCIJUJVURNHI-ZIAGYGMSSA-N 0 1 323.393 1.457 20 5 DDBDMN O=C(NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1)c1cnn[nH]1 ZINC001046650750 767770094 /nfs/dbraw/zinc/77/00/94/767770094.db2.gz HSMMKPGPDBESCP-JGZJWPJOSA-N 0 1 316.321 1.333 20 5 DDBDMN CN(CCNC(=O)CN1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001100115204 775698440 /nfs/dbraw/zinc/69/84/40/775698440.db2.gz CRJIWBHUNBBICL-UHFFFAOYSA-N 0 1 324.356 1.382 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(C)CC2)c1F ZINC001173183612 777035351 /nfs/dbraw/zinc/03/53/51/777035351.db2.gz IICHXIHWMREKAX-NSHDSACASA-N 0 1 311.357 1.921 20 5 DDBDMN Cc1cc(NCCN(C)C(=O)Cc2ncn[nH]2)ccc1[N+](=O)[O-] ZINC001101772247 777497575 /nfs/dbraw/zinc/49/75/75/777497575.db2.gz ZQFZBNOZFTUEML-UHFFFAOYSA-N 0 1 318.337 1.134 20 5 DDBDMN Cc1nc(N[C@H]2CCCN3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001120059080 781741637 /nfs/dbraw/zinc/74/16/37/781741637.db2.gz CZZSBHCZNFTIBZ-CMPLNLGQSA-N 0 1 309.395 1.685 20 5 DDBDMN O=C(NC/C=C/CNCc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC001268510182 840337140 /nfs/dbraw/zinc/33/71/40/840337140.db2.gz HGTRXKUOPPTKLH-ONEGZZNKSA-N 0 1 314.345 1.999 20 5 DDBDMN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030322 862037340 /nfs/dbraw/zinc/03/73/40/862037340.db2.gz LHNSTEVKAGJJNX-ZYHUDNBSSA-N 0 1 320.349 1.252 20 5 DDBDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001150030322 862037358 /nfs/dbraw/zinc/03/73/58/862037358.db2.gz LHNSTEVKAGJJNX-ZYHUDNBSSA-N 0 1 320.349 1.252 20 5 DDBDMN CCOC(=O)c1ccnc(N[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001155668258 862359777 /nfs/dbraw/zinc/35/97/77/862359777.db2.gz UBUIPALTRUQNOU-LBPRGKRZSA-N 0 1 320.349 1.673 20 5 DDBDMN CC(C)=CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073012707 857997807 /nfs/dbraw/zinc/99/78/07/857997807.db2.gz AKHQWPBOXKTWME-VXGBXAGGSA-N 0 1 309.366 1.115 20 5 DDBDMN NCc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC001328504241 863013250 /nfs/dbraw/zinc/01/32/50/863013250.db2.gz JYALNOPYHUQVEY-UHFFFAOYSA-N 0 1 319.321 1.320 20 5 DDBDMN Cc1ncc(CN)c(=N)n1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156828776 863373245 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CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC001324476219 867299640 /nfs/dbraw/zinc/29/96/40/867299640.db2.gz QLMYIIPGGGSWOF-UHFFFAOYSA-N 0 1 322.300 1.733 20 5 DDBDMN O=C(NCCN1CC=CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001334609216 867707226 /nfs/dbraw/zinc/70/72/26/867707226.db2.gz XQPKVRWJKOIXNC-GJZGRUSLSA-N 0 1 301.346 1.686 20 5 DDBDMN C/C=C(/C)C(=O)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001297513635 870085779 /nfs/dbraw/zinc/08/57/79/870085779.db2.gz ZHJXRDZYFGCPLA-VZAOXQLQSA-N 0 1 309.366 1.163 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001302938169 871088676 /nfs/dbraw/zinc/08/86/76/871088676.db2.gz ROCVRPYGMMYQFY-SNVBAGLBSA-N 0 1 316.321 1.354 20 5 DDBDMN CN(CCNCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c[nH]1 ZINC001317612015 871200165 /nfs/dbraw/zinc/20/01/65/871200165.db2.gz NJXWIWYCIUYESZ-UHFFFAOYSA-N 0 1 320.324 1.924 20 5 DDBDMN Nc1cn[nH]c1[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC001305387957 871282825 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C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001263196237 900528855 /nfs/dbraw/zinc/52/88/55/900528855.db2.gz MMHCCWNCDIUMLE-JCILWVLBSA-N 0 1 303.362 1.929 20 5 DDBDMN C[C@@H]([C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1)N(C)C=O ZINC001263526099 900631833 /nfs/dbraw/zinc/63/18/33/900631833.db2.gz VSRVORRVRKHFTE-IGHBBLSQSA-N 0 1 306.318 1.413 20 5 DDBDMN Cc1cc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001285923506 911447482 /nfs/dbraw/zinc/44/74/82/911447482.db2.gz ITGDWGVRTFVGSK-GHMZBOCLSA-N 0 1 323.374 1.100 20 5 DDBDMN C[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1CO ZINC000248865538 282112788 /nfs/dbraw/zinc/11/27/88/282112788.db2.gz AVQZUULGYJRHQY-GWCFXTLKSA-N 0 1 318.333 1.848 20 5 DDBDMN COC[C@H](C)OC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000278513719 214203676 /nfs/dbraw/zinc/20/36/76/214203676.db2.gz FJLDQMLXMSZKAJ-JSGCOSHPSA-N 0 1 312.366 1.439 20 5 DDBDMN CCc1nc(CNc2ncnc3sc([N+](=O)[O-])cc32)n[nH]1 ZINC000294992143 529741290 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CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1C[C@@H](C)O ZINC000266849087 186358765 /nfs/dbraw/zinc/35/87/65/186358765.db2.gz QBOPVBYYCFYYRJ-CHWSQXEVSA-N 0 1 308.382 1.580 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000064334262 352933634 /nfs/dbraw/zinc/93/36/34/352933634.db2.gz ROEWNOZESUIRNL-UHFFFAOYSA-N 0 1 315.333 1.589 20 5 DDBDMN Cc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)on1 ZINC000068565416 353120696 /nfs/dbraw/zinc/12/06/96/353120696.db2.gz OTEQJGOPISFSGE-UHFFFAOYSA-N 0 1 301.262 1.698 20 5 DDBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1nnc[nH]1 ZINC000174815253 198388384 /nfs/dbraw/zinc/38/83/84/198388384.db2.gz POCWUNPBMRXAOV-UHFFFAOYSA-N 0 1 324.728 1.437 20 5 DDBDMN C[C@@H]1CSCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246932419 354362731 /nfs/dbraw/zinc/36/27/31/354362731.db2.gz DRLUAKVRTAVZJX-DGCLKSJQSA-N 0 1 312.391 1.772 20 5 DDBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CN(c2ccncn2)C1 ZINC000601304252 358487698 /nfs/dbraw/zinc/48/76/98/358487698.db2.gz OOSDSLOYIKWOLY-AWEZNQCLSA-N 0 1 311.345 1.851 20 5 DDBDMN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCCC1(F)F ZINC000588144442 354904772 /nfs/dbraw/zinc/90/47/72/354904772.db2.gz JTBSEZCONKHWNC-MRVPVSSYSA-N 0 1 307.278 1.456 20 5 DDBDMN CC[C@]1(O)CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589515034 354998537 /nfs/dbraw/zinc/99/85/37/354998537.db2.gz OJGBUPHCMWPEEY-HNNXBMFYSA-N 0 1 308.334 1.728 20 5 DDBDMN COC(=O)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000073544564 191326164 /nfs/dbraw/zinc/32/61/64/191326164.db2.gz ZQKSUMICFQLBTI-LLVKDONJSA-N 0 1 320.305 1.399 20 5 DDBDMN COCCC1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000591786075 355386039 /nfs/dbraw/zinc/38/60/39/355386039.db2.gz WJDMEPIKWNLZNO-UHFFFAOYSA-N 0 1 304.306 1.580 20 5 DDBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592829760 355706066 /nfs/dbraw/zinc/70/60/66/355706066.db2.gz YGHSWGGIQBPRTR-LBPRGKRZSA-N 0 1 307.350 1.857 20 5 DDBDMN C[C@@H]1[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000593187721 355819838 /nfs/dbraw/zinc/81/98/38/355819838.db2.gz OIVRHKYZESLSSV-YNEHKIRRSA-N 0 1 321.377 1.913 20 5 DDBDMN C[C@@H]1[C@@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000593186971 355820038 /nfs/dbraw/zinc/82/00/38/355820038.db2.gz BMIJCOFGDXPBLU-YNEHKIRRSA-N 0 1 321.377 1.913 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000593503348 355905755 /nfs/dbraw/zinc/90/57/55/355905755.db2.gz IJLVTUFJJALWPH-CQSZACIVSA-N 0 1 315.377 1.691 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000593830225 356014057 /nfs/dbraw/zinc/01/40/57/356014057.db2.gz LUJAYCIMZZQGHW-VIFPVBQESA-N 0 1 310.354 1.361 20 5 DDBDMN CCC[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCN1CCOC ZINC000346663073 283142021 /nfs/dbraw/zinc/14/20/21/283142021.db2.gz WHJPUWXPYCZPJB-CYBMUJFWSA-N 0 1 308.382 1.927 20 5 DDBDMN O=[N+]([O-])c1cccc(CNCc2n[nH]c([C@@H]3CCCO3)n2)c1 ZINC000594513304 356241672 /nfs/dbraw/zinc/24/16/72/356241672.db2.gz XGMUCFLRMLRYML-LBPRGKRZSA-N 0 1 303.322 1.854 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]2CCCC[C@H]12 ZINC000594733628 356300889 /nfs/dbraw/zinc/30/08/89/356300889.db2.gz ACQGEYVJFDYRJB-JHJVBQTASA-N 0 1 322.365 1.757 20 5 DDBDMN CC(C)(C)OCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752331 356307567 /nfs/dbraw/zinc/30/75/67/356307567.db2.gz OMZHVCVSDLGQKZ-UHFFFAOYSA-N 0 1 303.340 1.083 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC2CCC1CC2 ZINC000594764248 356310902 /nfs/dbraw/zinc/31/09/02/356310902.db2.gz IGZYWDGXALHTTG-ILDUYXDCSA-N 0 1 311.363 1.847 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000594784829 356315766 /nfs/dbraw/zinc/31/57/66/356315766.db2.gz DNQOCULSFNWRCW-QWRGUYRKSA-N 0 1 311.363 1.704 20 5 DDBDMN C[C@@H](NCCN1C(=O)CN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000595420408 356485783 /nfs/dbraw/zinc/48/57/83/356485783.db2.gz DHZWHFLQGLPDCJ-SNVBAGLBSA-N 0 1 306.322 1.139 20 5 DDBDMN Cc1noc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595470671 356506690 /nfs/dbraw/zinc/50/66/90/356506690.db2.gz OOLHOPPVYITOGS-JTQLQIEISA-N 0 1 312.370 1.168 20 5 DDBDMN C[C@H](O)[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595765843 356644317 /nfs/dbraw/zinc/64/43/17/356644317.db2.gz KGJMEMQSUYSDII-GXFFZTMASA-N 0 1 318.333 1.990 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595826787 356665897 /nfs/dbraw/zinc/66/58/97/356665897.db2.gz IOEKLKUNKQGBAJ-TZMCWYRMSA-N 0 1 320.345 1.850 20 5 DDBDMN CC(C)(N)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)on1 ZINC000595924316 356706671 /nfs/dbraw/zinc/70/66/71/356706671.db2.gz AYBWVOSPBOHXGE-UHFFFAOYSA-N 0 1 304.306 1.707 20 5 DDBDMN CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038276 357436948 /nfs/dbraw/zinc/43/69/48/357436948.db2.gz BTUCKGFALKGHHX-LLVKDONJSA-N 0 1 308.338 1.252 20 5 DDBDMN CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598038276 357436951 /nfs/dbraw/zinc/43/69/51/357436951.db2.gz BTUCKGFALKGHHX-LLVKDONJSA-N 0 1 308.338 1.252 20 5 DDBDMN O=C(N[C@@H](CO)C1CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597920674 357381865 /nfs/dbraw/zinc/38/18/65/357381865.db2.gz HVTXDTYYCDXMBL-LBPRGKRZSA-N 0 1 304.306 1.362 20 5 DDBDMN O=C(NCC1CCC(O)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598340894 357542970 /nfs/dbraw/zinc/54/29/70/357542970.db2.gz PYBFBQSROSYXQB-UHFFFAOYSA-N 0 1 318.333 1.752 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000598398812 357565743 /nfs/dbraw/zinc/56/57/43/357565743.db2.gz ZMNASIIOMRHLAY-VHSXEESVSA-N 0 1 308.338 1.379 20 5 DDBDMN CC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCC1 ZINC000599322689 357893018 /nfs/dbraw/zinc/89/30/18/357893018.db2.gz UGAGLGGVTFYTKC-JTQLQIEISA-N 0 1 316.383 1.575 20 5 DDBDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000180452963 199161478 /nfs/dbraw/zinc/16/14/78/199161478.db2.gz BBMKLPHOBRWVTK-LLVKDONJSA-N 0 1 317.349 1.926 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2noc(C)n2)c1[N+](=O)[O-] ZINC000181013600 199241126 /nfs/dbraw/zinc/24/11/26/199241126.db2.gz HIVXKVJTWZMAHQ-UHFFFAOYSA-N 0 1 308.298 1.234 20 5 DDBDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000348157551 283394450 /nfs/dbraw/zinc/39/44/50/283394450.db2.gz GJMRLMFEPXXYCR-GHMZBOCLSA-N 0 1 318.333 1.740 20 5 DDBDMN C[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CCN1 ZINC000602434384 358973546 /nfs/dbraw/zinc/97/35/46/358973546.db2.gz QFIQYAXUMJAPRC-LBPRGKRZSA-N 0 1 303.362 1.837 20 5 DDBDMN CC(C)[C@@H]1CNCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000602531654 359030009 /nfs/dbraw/zinc/03/00/09/359030009.db2.gz WHGKFPOSBRTIAB-HNNXBMFYSA-N 0 1 305.378 1.984 20 5 DDBDMN Cc1ccc([C@@H](C)NC(=O)[C@]2(C)CNCCO2)cc1[N+](=O)[O-] ZINC000602469014 358999085 /nfs/dbraw/zinc/99/90/85/358999085.db2.gz YRHAUEWDNIKJAO-ABAIWWIYSA-N 0 1 307.350 1.459 20 5 DDBDMN C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@]1(C)C(=O)NC2=O ZINC000602723870 359150557 /nfs/dbraw/zinc/15/05/57/359150557.db2.gz HQZFBZJCIZSPEC-HUUCEWRRSA-N 0 1 321.308 1.219 20 5 DDBDMN C[C@@](CO)(NCCOCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602961758 359325100 /nfs/dbraw/zinc/32/51/00/359325100.db2.gz CHNIPWIYOCWLSR-ZDUSSCGKSA-N 0 1 304.293 1.674 20 5 DDBDMN C[C@](O)(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000187506923 200121407 /nfs/dbraw/zinc/12/14/07/200121407.db2.gz UNJVZUCPBXZXNQ-AWEZNQCLSA-N 0 1 304.306 1.346 20 5 DDBDMN COc1ccc(CN2CCN(CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187651899 200140080 /nfs/dbraw/zinc/14/00/80/200140080.db2.gz GXYGCWKPMUPKFI-GFCCVEGCSA-N 0 1 309.366 1.102 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000610005107 360372744 /nfs/dbraw/zinc/37/27/44/360372744.db2.gz BLVBNBHJJMOQEL-UHFFFAOYSA-N 0 1 310.335 1.413 20 5 DDBDMN CCOC(=O)C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611237516 360674489 /nfs/dbraw/zinc/67/44/89/360674489.db2.gz NACYIRJNBLEFRN-OAHLLOKOSA-N 0 1 322.361 1.873 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000611593191 360773986 /nfs/dbraw/zinc/77/39/86/360773986.db2.gz ISMLAVJQCAXQNZ-ZETCQYMHSA-N 0 1 318.280 1.724 20 5 DDBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(Br)o2)c1 ZINC000191365027 200680502 /nfs/dbraw/zinc/68/05/02/200680502.db2.gz NSPOZGFAZKZSSP-UHFFFAOYSA-N 0 1 315.127 1.937 20 5 DDBDMN Cc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000611924958 360858578 /nfs/dbraw/zinc/85/85/78/360858578.db2.gz CPCIYYMTFLKVBP-UHFFFAOYSA-N 0 1 316.364 1.703 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN[C@]2(CO)CCOc3ccccc32)n1 ZINC000281449391 216306721 /nfs/dbraw/zinc/30/67/21/216306721.db2.gz AFIRXFVGHYYBLP-HNNXBMFYSA-N 0 1 318.333 1.051 20 5 DDBDMN O=C(NC1CC[NH+](CC2CC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193437206 201052010 /nfs/dbraw/zinc/05/20/10/201052010.db2.gz ZYNNKLGSCDEMEY-UHFFFAOYSA-N 0 1 320.349 1.300 20 5 DDBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193987431 201157921 /nfs/dbraw/zinc/15/79/21/201157921.db2.gz RKRUKGNPQKDVJV-UHFFFAOYSA-N 0 1 304.266 1.333 20 5 DDBDMN COc1cc(C(=O)N2CCNC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000261924598 203153922 /nfs/dbraw/zinc/15/39/22/203153922.db2.gz ARCMJQOMOUJHML-SECBINFHSA-N 0 1 309.322 1.046 20 5 DDBDMN COC[C@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1C ZINC000350324722 284182945 /nfs/dbraw/zinc/18/29/45/284182945.db2.gz XLAJFDQAJLDXTF-HNNXBMFYSA-N 0 1 310.350 1.961 20 5 DDBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CCSCC1 ZINC000264803118 204168869 /nfs/dbraw/zinc/16/88/69/204168869.db2.gz NIIYRKYFRRFZEZ-ZZXKWVIFSA-N 0 1 321.402 1.773 20 5 DDBDMN C[C@@H](C(=O)N1CCc2[nH]nnc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000350980390 284289555 /nfs/dbraw/zinc/28/95/55/284289555.db2.gz HVBSVYSVMFDTHT-MRVPVSSYSA-N 0 1 319.296 1.540 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288539891 220217020 /nfs/dbraw/zinc/21/70/20/220217020.db2.gz OVCOEYNYIVANRH-CYBMUJFWSA-N 0 1 321.377 1.480 20 5 DDBDMN CCC(O)(CC)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000160224041 197394204 /nfs/dbraw/zinc/39/42/04/197394204.db2.gz SKBPMKHRYOXNAY-UHFFFAOYSA-N 0 1 320.342 1.563 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000267914532 206335180 /nfs/dbraw/zinc/33/51/80/206335180.db2.gz NKDJGAUVQGYMSR-UHFFFAOYSA-N 0 1 309.713 1.567 20 5 DDBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000274163046 211392338 /nfs/dbraw/zinc/39/23/38/211392338.db2.gz ZOZHVEYJTHXWGB-ZJUUUORDSA-N 0 1 303.322 1.996 20 5 DDBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C(N)=O ZINC000284471395 218040907 /nfs/dbraw/zinc/04/09/07/218040907.db2.gz AGPPAKKUFUSUCH-NOZJJQNGSA-N 0 1 321.333 1.015 20 5 DDBDMN CN(CCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(F)F ZINC000338867550 250172445 /nfs/dbraw/zinc/17/24/45/250172445.db2.gz ZBBKFNMPYUDPLP-UHFFFAOYSA-N 0 1 317.292 1.569 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000339189452 250336441 /nfs/dbraw/zinc/33/64/41/250336441.db2.gz RXMMJQBTVHOTFL-UHFFFAOYSA-N 0 1 318.289 1.703 20 5 DDBDMN Cc1[nH+]ccn1CCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269111129 207249567 /nfs/dbraw/zinc/24/95/67/207249567.db2.gz AUUNNIQNPSSIJQ-UHFFFAOYSA-N 0 1 304.306 1.625 20 5 DDBDMN CNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426391 285042212 /nfs/dbraw/zinc/04/22/12/285042212.db2.gz UCGREUOOKJKWSW-GFCCVEGCSA-N 0 1 307.350 1.561 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N(CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000352468813 285073229 /nfs/dbraw/zinc/07/32/29/285073229.db2.gz VBJDIYPMSQTOLY-GFCCVEGCSA-N 0 1 321.377 1.935 20 5 DDBDMN CNc1nc(-c2nc(C3(N)CCCC3)no2)ccc1[N+](=O)[O-] ZINC000414628451 533073197 /nfs/dbraw/zinc/07/31/97/533073197.db2.gz ONSGYUUCQCTKEL-UHFFFAOYSA-N 0 1 304.310 1.810 20 5 DDBDMN CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567979339 304258109 /nfs/dbraw/zinc/25/81/09/304258109.db2.gz IQAYPYVJZAWORN-UHFFFAOYSA-N 0 1 323.349 1.816 20 5 DDBDMN CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567979339 304258111 /nfs/dbraw/zinc/25/81/11/304258111.db2.gz IQAYPYVJZAWORN-UHFFFAOYSA-N 0 1 323.349 1.816 20 5 DDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289482048 221006615 /nfs/dbraw/zinc/00/66/15/221006615.db2.gz RVDLJZZBSPQZCO-CMPLNLGQSA-N 0 1 317.349 1.947 20 5 DDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289482048 221006616 /nfs/dbraw/zinc/00/66/16/221006616.db2.gz RVDLJZZBSPQZCO-CMPLNLGQSA-N 0 1 317.349 1.947 20 5 DDBDMN Cc1c(C(=O)N[C@H](CO)CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000352852093 285336036 /nfs/dbraw/zinc/33/60/36/285336036.db2.gz DSAZPUNNPYWFIA-ZDUSSCGKSA-N 0 1 321.377 1.480 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCc1nc[nH]n1 ZINC000120943950 195269011 /nfs/dbraw/zinc/26/90/11/195269011.db2.gz NPFVRYOKMDGGSE-UHFFFAOYSA-N 0 1 304.310 1.694 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000452579374 533661512 /nfs/dbraw/zinc/66/15/12/533661512.db2.gz AOAQWPVZSSPXMY-QJPTWQEYSA-N 0 1 322.365 1.782 20 5 DDBDMN CN(C)Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000361079251 306991652 /nfs/dbraw/zinc/99/16/52/306991652.db2.gz HBIQESYYYFRFPP-UHFFFAOYSA-N 0 1 303.322 1.642 20 5 DDBDMN CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000048137844 407090125 /nfs/dbraw/zinc/09/01/25/407090125.db2.gz VVWMFTHLTZKJFA-JTQLQIEISA-N 0 1 304.306 1.722 20 5 DDBDMN Cc1[nH]ncc1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000063554083 407233730 /nfs/dbraw/zinc/23/37/30/407233730.db2.gz AMPGSUKWTGRMAQ-UHFFFAOYSA-N 0 1 302.334 1.918 20 5 DDBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CN(C)C)CC1 ZINC000067457687 407273685 /nfs/dbraw/zinc/27/36/85/407273685.db2.gz BJSULLKPUKKODK-CYBMUJFWSA-N 0 1 320.393 1.362 20 5 DDBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)C ZINC000125443440 407388670 /nfs/dbraw/zinc/38/86/70/407388670.db2.gz OWOAWWWBUHLWCU-UHFFFAOYSA-N 0 1 321.786 1.397 20 5 DDBDMN C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271293021 407618340 /nfs/dbraw/zinc/61/83/40/407618340.db2.gz BUDIGWKAUABOKD-SNVBAGLBSA-N 0 1 309.322 1.207 20 5 DDBDMN CN1CCN(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000267112885 407752654 /nfs/dbraw/zinc/75/26/54/407752654.db2.gz YBVRQDMJUZEVBZ-UHFFFAOYSA-N 0 1 301.350 1.743 20 5 DDBDMN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCO2)ccc1F ZINC000171805520 407772412 /nfs/dbraw/zinc/77/24/12/407772412.db2.gz HTCLMRQNMJMDJJ-SECBINFHSA-N 0 1 304.299 1.655 20 5 DDBDMN CCN1CCCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000267322280 407834367 /nfs/dbraw/zinc/83/43/67/407834367.db2.gz OVRGZRNBCXCBHA-UHFFFAOYSA-N 0 1 306.366 1.653 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(CC2CC2)CC1 ZINC000065873322 161566186 /nfs/dbraw/zinc/56/61/86/161566186.db2.gz WOCYGHOKEQTMLT-UHFFFAOYSA-N 0 1 318.377 1.561 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])CC[C@@H]21 ZINC000182123675 408077893 /nfs/dbraw/zinc/07/78/93/408077893.db2.gz JBOXTCATKMNCIJ-FZMZJTMJSA-N 0 1 319.361 1.857 20 5 DDBDMN COCCO[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000189721522 408090566 /nfs/dbraw/zinc/09/05/66/408090566.db2.gz IKEGWUIPIRWDDO-GJZGRUSLSA-N 0 1 310.350 1.366 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCN(C)C)c1C ZINC000136441601 408105995 /nfs/dbraw/zinc/10/59/95/408105995.db2.gz DELLYTVVKLFDAO-UHFFFAOYSA-N 0 1 301.368 1.052 20 5 DDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1ccccc1F ZINC000121326253 408185617 /nfs/dbraw/zinc/18/56/17/408185617.db2.gz UFFUYCBSKYKESB-MRVPVSSYSA-N 0 1 308.269 1.654 20 5 DDBDMN O=[N+]([O-])c1cnc(NC2CCN(Cc3ccncc3)CC2)nc1 ZINC000273597138 408258511 /nfs/dbraw/zinc/25/85/11/408258511.db2.gz ISKHUTMHJSWRJP-UHFFFAOYSA-N 0 1 314.349 1.856 20 5 DDBDMN CC[C@H](COC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273450777 408203761 /nfs/dbraw/zinc/20/37/61/408203761.db2.gz OQDFVKVKZNEUSX-LLVKDONJSA-N 0 1 316.379 1.383 20 5 DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000155908817 408225007 /nfs/dbraw/zinc/22/50/07/408225007.db2.gz PZTNOUYAVINSQK-UHFFFAOYSA-N 0 1 321.377 1.916 20 5 DDBDMN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC(C)(C)O1 ZINC000190537692 408270686 /nfs/dbraw/zinc/27/06/86/408270686.db2.gz CJONIYFLHAXSLQ-LBPRGKRZSA-N 0 1 312.370 1.042 20 5 DDBDMN CC1(C)[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000190549874 408274410 /nfs/dbraw/zinc/27/44/10/408274410.db2.gz UNMWNJQGPXEHAF-MNOVXSKESA-N 0 1 304.306 1.360 20 5 DDBDMN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C[C@H](C)O ZINC000246824879 408348760 /nfs/dbraw/zinc/34/87/60/408348760.db2.gz LNEYDDZGKZERDH-JSGCOSHPSA-N 0 1 321.377 1.512 20 5 DDBDMN Cc1ccc(S(=O)(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170873723 162196760 /nfs/dbraw/zinc/19/67/60/162196760.db2.gz ZXFAUICFBTZFJE-NSHDSACASA-N 0 1 313.379 1.228 20 5 DDBDMN Cc1c(CC(=O)NCCN2CCSCC2)cccc1[N+](=O)[O-] ZINC000269672156 408384764 /nfs/dbraw/zinc/38/47/64/408384764.db2.gz GPWLPWCRZOMTHH-UHFFFAOYSA-N 0 1 323.418 1.611 20 5 DDBDMN CN(C)Cc1ccnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 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CC(C)c1[nH]nc(C(=O)N(CCO)CC(F)F)c1[N+](=O)[O-] ZINC000279742112 215108466 /nfs/dbraw/zinc/10/84/66/215108466.db2.gz AVQYJYRCHNNXGQ-UHFFFAOYSA-N 0 1 306.269 1.141 20 5 DDBDMN O=C(NC1CCN(c2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000138193265 186015151 /nfs/dbraw/zinc/01/51/51/186015151.db2.gz UJNOIETVGZDDLJ-UHFFFAOYSA-N 0 1 315.333 1.717 20 5 DDBDMN Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181903370 186217302 /nfs/dbraw/zinc/21/73/02/186217302.db2.gz RZEFXNMVXZJHIE-JTQLQIEISA-N 0 1 318.333 1.871 20 5 DDBDMN Nc1c(F)c(NCCCCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000266861658 186362875 /nfs/dbraw/zinc/36/28/75/186362875.db2.gz OSCKIMGRCLZTEC-UHFFFAOYSA-N 0 1 312.345 1.840 20 5 DDBDMN CC[C@H](C)N(CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000287204792 219379258 /nfs/dbraw/zinc/37/92/58/219379258.db2.gz DRULXQAALMMHOK-LBPRGKRZSA-N 0 1 309.366 1.650 20 5 DDBDMN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1OC)c1nn[nH]n1 ZINC000277181330 213350301 /nfs/dbraw/zinc/35/03/01/213350301.db2.gz SHRUZXLTBMKFMZ-SNVBAGLBSA-N 0 1 320.309 1.388 20 5 DDBDMN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2[nH]1 ZINC000010896578 352140777 /nfs/dbraw/zinc/14/07/77/352140777.db2.gz GJBIRRLZBCTDMS-UHFFFAOYSA-N 0 1 313.273 1.720 20 5 DDBDMN O=C(NC1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1)c1ccsc1 ZINC000056468941 352773520 /nfs/dbraw/zinc/77/35/20/352773520.db2.gz MMTUVKDCKWTBIZ-NWDGAFQWSA-N 0 1 323.374 1.134 20 5 DDBDMN C[C@H]1CN(C)CCN1C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491577357 234207084 /nfs/dbraw/zinc/20/70/84/234207084.db2.gz VRKSHLLSOWRYBQ-QZPNVGJNSA-N 0 1 307.325 1.910 20 5 DDBDMN O=C(NCCCO)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000058506078 352845771 /nfs/dbraw/zinc/84/57/71/352845771.db2.gz HDMLAFKEHPSSBQ-UHFFFAOYSA-N 0 1 321.377 1.305 20 5 DDBDMN CC(C)NS(=O)(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173390159 198209562 /nfs/dbraw/zinc/20/95/62/198209562.db2.gz QHXRAKVXHLBCPC-LLVKDONJSA-N 0 1 315.395 1.573 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@H](F)C1 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/nfs/dbraw/zinc/37/48/25/355374825.db2.gz CFLKHDDBTRCINK-CQSZACIVSA-N 0 1 317.345 1.828 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000592968512 355758190 /nfs/dbraw/zinc/75/81/90/355758190.db2.gz LEXGSASDXFKOGE-UHFFFAOYSA-N 0 1 306.322 1.281 20 5 DDBDMN C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000593604201 355939018 /nfs/dbraw/zinc/93/90/18/355939018.db2.gz YESFGEOHBPFWAO-QMMMGPOBSA-N 0 1 322.300 1.052 20 5 DDBDMN C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1nn[nH]n1 ZINC000593604201 355939023 /nfs/dbraw/zinc/93/90/23/355939023.db2.gz YESFGEOHBPFWAO-QMMMGPOBSA-N 0 1 322.300 1.052 20 5 DDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(C2CCC2)CC1 ZINC000593471016 355895208 /nfs/dbraw/zinc/89/52/08/355895208.db2.gz VKWDWDPAMFJTMS-UHFFFAOYSA-N 0 1 321.352 1.973 20 5 DDBDMN COCC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000594474173 356229280 /nfs/dbraw/zinc/22/92/80/356229280.db2.gz GQGMJODMMVBCKX-UHFFFAOYSA-N 0 1 318.326 1.439 20 5 DDBDMN Cc1nn(C)c(NCc2n[nH]c([C@@H]3CCCO3)n2)c1[N+](=O)[O-] ZINC000594589481 356257669 /nfs/dbraw/zinc/25/76/69/356257669.db2.gz LACPLXGDNJTKOG-QMMMGPOBSA-N 0 1 307.314 1.218 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCCOCC1CC1 ZINC000594742897 356304876 /nfs/dbraw/zinc/30/48/76/356304876.db2.gz CBYIOEUVENHSNJ-UHFFFAOYSA-N 0 1 315.351 1.085 20 5 DDBDMN COCCCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594752201 356307869 /nfs/dbraw/zinc/30/78/69/356307869.db2.gz MSERAPQRSUDMON-UHFFFAOYSA-N 0 1 303.340 1.085 20 5 DDBDMN C[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])c2nccn21 ZINC000594779591 356315010 /nfs/dbraw/zinc/31/50/10/356315010.db2.gz VKCAZQTYVBGROW-IUCAKERBSA-N 0 1 323.334 1.171 20 5 DDBDMN CC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000594783410 356316185 /nfs/dbraw/zinc/31/61/85/356316185.db2.gz GOSDHQVGFAYIRK-MWLCHTKSSA-N 0 1 317.367 1.064 20 5 DDBDMN CCC[C@H](C)[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594797159 356320843 /nfs/dbraw/zinc/32/08/43/356320843.db2.gz 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CN(Cc1cnc[nH]1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000597862108 357363205 /nfs/dbraw/zinc/36/32/05/357363205.db2.gz GKSWRFOTTVJXEU-UHFFFAOYSA-N 0 1 318.289 1.361 20 5 DDBDMN CO[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000597880056 357369043 /nfs/dbraw/zinc/36/90/43/357369043.db2.gz ODZQLHAWMAUGLX-ZANVPECISA-N 0 1 310.306 1.082 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598161225 357478726 /nfs/dbraw/zinc/47/87/26/357478726.db2.gz CXGVRVAGOLSRRL-UHFFFAOYSA-N 0 1 311.769 1.811 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000598185693 357489410 /nfs/dbraw/zinc/48/94/10/357489410.db2.gz LIWVNHGQWYRCAU-CQSZACIVSA-N 0 1 308.338 1.257 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2COC[C@H]2C1 ZINC000598396062 357563997 /nfs/dbraw/zinc/56/39/97/357563997.db2.gz QXZSRUUFCIMWJZ-NXEZZACHSA-N 0 1 316.317 1.580 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000598649096 357670291 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O=C(NC[C@H]1COCCN1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602558087 359045096 /nfs/dbraw/zinc/04/50/96/359045096.db2.gz RBXFEYRHLYHCNR-JTQLQIEISA-N 0 1 321.358 1.528 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000602835138 359226969 /nfs/dbraw/zinc/22/69/69/359226969.db2.gz XVKOMGXTCAAMNZ-JSGCOSHPSA-N 0 1 308.382 1.989 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1cn[nH]c1 ZINC000602882261 359265849 /nfs/dbraw/zinc/26/58/49/359265849.db2.gz UEYJOOPZFWDOIO-CYBMUJFWSA-N 0 1 303.322 1.317 20 5 DDBDMN C[C@](CO)(NCCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962379 359325202 /nfs/dbraw/zinc/32/52/02/359325202.db2.gz KCLKSMMDDYETHZ-HZPDHXFCSA-N 0 1 324.377 1.935 20 5 DDBDMN C[C@@](CO)(NCCn1cc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602962984 359326816 /nfs/dbraw/zinc/32/68/16/359326816.db2.gz QSOCOIRDQXFEQJ-AWEZNQCLSA-N 0 1 324.768 1.942 20 5 DDBDMN CCOc1cc(CN2C[C@@H](OC)C[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964943 359329184 /nfs/dbraw/zinc/32/91/84/359329184.db2.gz WNRYUACUJOVMMJ-BBRMVZONSA-N 0 1 324.377 1.965 20 5 DDBDMN CCNCc1cn(Cc2ccc([N+](=O)[O-])c(OCC)c2)nn1 ZINC000603235946 359504409 /nfs/dbraw/zinc/50/44/09/359504409.db2.gz GWHCUKHXXDHJRI-UHFFFAOYSA-N 0 1 305.338 1.743 20 5 DDBDMN Cc1n[nH]c(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000609136110 360263897 /nfs/dbraw/zinc/26/38/97/360263897.db2.gz RESVFWKXEMYOEM-SNVBAGLBSA-N 0 1 304.310 1.300 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000609269444 360286065 /nfs/dbraw/zinc/28/60/65/360286065.db2.gz QPVCPWUCNSVRDW-ZDUSSCGKSA-N 0 1 307.350 1.435 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCc3ncccc3C2)c1[N+](=O)[O-] ZINC000611012266 360602858 /nfs/dbraw/zinc/60/28/58/360602858.db2.gz MXVCHDLKDWLMIE-UHFFFAOYSA-N 0 1 315.333 1.864 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@]3(CCOC3)C1)OCCO2 ZINC000611275641 360687308 /nfs/dbraw/zinc/68/73/08/360687308.db2.gz PMGWRLMSVRSWEQ-MRXNPFEDSA-N 0 1 320.345 1.978 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@H]1C(F)(F)F ZINC000613969123 361644580 /nfs/dbraw/zinc/64/45/80/361644580.db2.gz SMUULJQTNBXGLZ-JTQLQIEISA-N 0 1 320.223 1.704 20 5 DDBDMN Cc1nccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000619705875 364122434 /nfs/dbraw/zinc/12/24/34/364122434.db2.gz LRUWKTVIUMRPEM-UHFFFAOYSA-N 0 1 315.333 1.812 20 5 DDBDMN CN(Cc1cnc[nH]1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000566925992 304189167 /nfs/dbraw/zinc/18/91/67/304189167.db2.gz FYNQDSOIXIMWPX-UHFFFAOYSA-N 0 1 310.335 1.280 20 5 DDBDMN CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274002884 211259891 /nfs/dbraw/zinc/25/98/91/211259891.db2.gz UABJTLHGWBRTOX-LBPRGKRZSA-N 0 1 313.379 1.310 20 5 DDBDMN Cc1c(CN2CC[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000284699808 218138964 /nfs/dbraw/zinc/13/89/64/218138964.db2.gz IJXQQJVAFCZVEJ-HZPDHXFCSA-N 0 1 305.378 1.808 20 5 DDBDMN Cc1nc2cccc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c2[nH]1 ZINC000338551336 250026954 /nfs/dbraw/zinc/02/69/54/250026954.db2.gz IYRKVBFHUFGHBR-UHFFFAOYSA-N 0 1 314.305 1.406 20 5 DDBDMN COc1cc(N2CC[C@H]3OCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000285209737 218334892 /nfs/dbraw/zinc/33/48/92/218334892.db2.gz WYZSXQOYXVBSFE-ZIAGYGMSSA-N 0 1 307.350 1.513 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000109689041 194278397 /nfs/dbraw/zinc/27/83/97/194278397.db2.gz NWEZVBYTAJIKLS-JTQLQIEISA-N 0 1 310.354 1.769 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H](C)C(=O)OC)c1[N+](=O)[O-] ZINC000109619367 194277267 /nfs/dbraw/zinc/27/72/67/194277267.db2.gz DCTHFNSMVRLVBA-MRVPVSSYSA-N 0 1 312.326 1.152 20 5 DDBDMN O=C1OCC[C@H]1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119986754 195075748 /nfs/dbraw/zinc/07/57/48/195075748.db2.gz ROMKRKPMMAGSMA-CYBMUJFWSA-N 0 1 319.361 1.670 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)c2ncccc12 ZINC000270269080 208335930 /nfs/dbraw/zinc/33/59/30/208335930.db2.gz JYSGRGXFHPHFTD-UHFFFAOYSA-N 0 1 316.361 1.647 20 5 DDBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000330443879 285095733 /nfs/dbraw/zinc/09/57/33/285095733.db2.gz CBTAIPYXSDSWJP-LLVKDONJSA-N 0 1 314.363 1.309 20 5 DDBDMN CCS(=O)(=O)NCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000158354268 197265172 /nfs/dbraw/zinc/26/51/72/197265172.db2.gz IFPSHDUDBAMOFS-LLVKDONJSA-N 0 1 315.395 1.493 20 5 DDBDMN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000158430392 197272494 /nfs/dbraw/zinc/27/24/94/197272494.db2.gz IRSLIEBDOIXVKK-AAEUAGOBSA-N 0 1 316.317 1.968 20 5 DDBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000157962720 197231552 /nfs/dbraw/zinc/23/15/52/197231552.db2.gz AQEOFMKZRMDKQP-UHFFFAOYSA-N 0 1 307.354 1.408 20 5 DDBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155468373 197057617 /nfs/dbraw/zinc/05/76/17/197057617.db2.gz ITJSXGXXTVQNPJ-BETUJISGSA-N 0 1 321.377 1.915 20 5 DDBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000155468587 197057573 /nfs/dbraw/zinc/05/75/73/197057573.db2.gz ITJSXGXXTVQNPJ-CHWSQXEVSA-N 0 1 321.377 1.915 20 5 DDBDMN C[C@@H](CO)[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000120564110 195191578 /nfs/dbraw/zinc/19/15/78/195191578.db2.gz IZINKLFYXHSRGZ-YUMQZZPRSA-N 0 1 306.315 1.029 20 5 DDBDMN COC(=O)C1(NCc2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000451769431 533255180 /nfs/dbraw/zinc/25/51/80/533255180.db2.gz LJTCZAVCCYVLJF-UHFFFAOYSA-N 0 1 310.306 1.112 20 5 DDBDMN COc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1[N+](=O)[O-] ZINC000353704000 285879926 /nfs/dbraw/zinc/87/99/26/285879926.db2.gz MVETZZZOECRQLG-UHFFFAOYSA-N 0 1 319.361 1.706 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000077359246 406986552 /nfs/dbraw/zinc/98/65/52/406986552.db2.gz UHQIYVSIPDLDPR-CYBMUJFWSA-N 0 1 319.361 1.389 20 5 DDBDMN CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000045851954 407049865 /nfs/dbraw/zinc/04/98/65/407049865.db2.gz CMFBKZHZJSNQHI-AWEZNQCLSA-N 0 1 307.398 1.674 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086468684 407112910 /nfs/dbraw/zinc/11/29/10/407112910.db2.gz KJBOSXJWUWTAKI-MNOVXSKESA-N 0 1 313.379 1.274 20 5 DDBDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000106818127 407361551 /nfs/dbraw/zinc/36/15/51/407361551.db2.gz NWRMNEDIQQFKIQ-CYBMUJFWSA-N 0 1 320.393 1.269 20 5 DDBDMN O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000106919702 407366913 /nfs/dbraw/zinc/36/69/13/407366913.db2.gz NZRYZTRRNRLLFA-SNVBAGLBSA-N 0 1 320.349 1.442 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000106919702 407366915 /nfs/dbraw/zinc/36/69/15/407366915.db2.gz NZRYZTRRNRLLFA-SNVBAGLBSA-N 0 1 320.349 1.442 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C[C@@H](C)O)C(C)C ZINC000107043094 407368428 /nfs/dbraw/zinc/36/84/28/407368428.db2.gz OUKSESGIEFHOKF-GFCCVEGCSA-N 0 1 309.366 1.933 20 5 DDBDMN CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1CCOC ZINC000271006143 407465065 /nfs/dbraw/zinc/46/50/65/407465065.db2.gz YACOKLAJNPOHPH-LBPRGKRZSA-N 0 1 324.381 1.496 20 5 DDBDMN Cc1ccc(CN2CCN(CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000129966190 407640621 /nfs/dbraw/zinc/64/06/21/407640621.db2.gz WBKPBBUDXNCBND-UHFFFAOYSA-N 0 1 307.394 1.792 20 5 DDBDMN CN(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000271432138 407682923 /nfs/dbraw/zinc/68/29/23/407682923.db2.gz RTIYOIXQKAYSIP-SNVBAGLBSA-N 0 1 323.378 1.423 20 5 DDBDMN COc1cc(-c2nc(C3(N)CCC3)no2)cc([N+](=O)[O-])c1OC ZINC000262038196 407720276 /nfs/dbraw/zinc/72/02/76/407720276.db2.gz XYFYRYAZJKXPAY-UHFFFAOYSA-N 0 1 320.305 2.000 20 5 DDBDMN C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000153360454 407807254 /nfs/dbraw/zinc/80/72/54/407807254.db2.gz MMSRKZJIAGKNMF-DTORHVGOSA-N 0 1 303.322 1.294 20 5 DDBDMN CCOCCOC1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272550225 407978973 /nfs/dbraw/zinc/97/89/73/407978973.db2.gz LYPFNGHTBHCUEB-UHFFFAOYSA-N 0 1 310.306 1.178 20 5 DDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CCCOCC1 ZINC000189475602 408028153 /nfs/dbraw/zinc/02/81/53/408028153.db2.gz NJZPVJZVOMHDMW-UHFFFAOYSA-N 0 1 321.377 1.366 20 5 DDBDMN C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1CO ZINC000189438427 408017969 /nfs/dbraw/zinc/01/79/69/408017969.db2.gz YIZPODIXTZOFQZ-PELKAZGASA-N 0 1 304.306 1.314 20 5 DDBDMN COC(=O)CCN1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182116276 408073478 /nfs/dbraw/zinc/07/34/78/408073478.db2.gz BMDZQYWIMBULOX-CYBMUJFWSA-N 0 1 321.377 1.664 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1nc[nH]n1 ZINC000268633933 408129163 /nfs/dbraw/zinc/12/91/63/408129163.db2.gz YJEJBTPKBYCWQS-UHFFFAOYSA-N 0 1 306.282 1.086 20 5 DDBDMN CN1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000183082216 408322756 /nfs/dbraw/zinc/32/27/56/408322756.db2.gz JFRZUXAAKHHOBU-INIZCTEOSA-N 0 1 315.377 1.780 20 5 DDBDMN C[C@@H](O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000183196567 408349586 /nfs/dbraw/zinc/34/95/86/408349586.db2.gz QYLOCRBARMMPDC-QJPTWQEYSA-N 0 1 307.350 1.625 20 5 DDBDMN Cc1c(CN2CCN(C[C@H](C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000247080513 408403830 /nfs/dbraw/zinc/40/38/30/408403830.db2.gz HAKDHCBKAAFMLC-OLZOCXBDSA-N 0 1 307.394 1.790 20 5 DDBDMN COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274658449 408484061 /nfs/dbraw/zinc/48/40/61/408484061.db2.gz UYZFCTFAOUAKCX-UHFFFAOYSA-N 0 1 323.349 1.095 20 5 DDBDMN COC(=O)[C@@H]1CC12CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])CC2 ZINC000265104275 408553268 /nfs/dbraw/zinc/55/32/68/408553268.db2.gz YLBJLYQCKHALJL-VIFPVBQESA-N 0 1 322.321 1.042 20 5 DDBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248513164 408581137 /nfs/dbraw/zinc/58/11/37/408581137.db2.gz CWAHFFQYEKVUAN-SRVKXCTJSA-N 0 1 308.338 1.509 20 5 DDBDMN CCN1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000192660956 408627822 /nfs/dbraw/zinc/62/78/22/408627822.db2.gz VDCMCLVLVQQJEK-NSHDSACASA-N 0 1 313.379 1.357 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1[O-] ZINC000270760464 408670773 /nfs/dbraw/zinc/67/07/73/408670773.db2.gz MGHFEJDPXRGSPN-VXGBXAGGSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)CN1CCOCC1 ZINC000265616996 408714527 /nfs/dbraw/zinc/71/45/27/408714527.db2.gz WLJOJERQJCLTBW-SNVBAGLBSA-N 0 1 321.337 1.511 20 5 DDBDMN COc1cccc(N2CC[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000185484092 408813247 /nfs/dbraw/zinc/81/32/47/408813247.db2.gz JCCKSUFQHNNKRM-CYBMUJFWSA-N 0 1 321.377 1.762 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(N)=O)C1 ZINC000280795054 408835919 /nfs/dbraw/zinc/83/59/19/408835919.db2.gz RLWJNBRSEQYRJB-ZUZCIYMTSA-N 0 1 320.349 1.119 20 5 DDBDMN C[C@H]1C[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000280860301 408847782 /nfs/dbraw/zinc/84/77/82/408847782.db2.gz BCKBZUIVWUXOEG-UWVGGRQHSA-N 0 1 305.334 1.655 20 5 DDBDMN Cc1ccc(CN[C@@H](C[NH+]2CCCCC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000277380230 408929638 /nfs/dbraw/zinc/92/96/38/408929638.db2.gz QSRSYIVURIIMBJ-AWEZNQCLSA-N 0 1 321.377 1.932 20 5 DDBDMN COC(=O)c1cc(NC(=O)CCc2cnc[nH]2)cc([N+](=O)[O-])c1 ZINC000193299446 163252978 /nfs/dbraw/zinc/25/29/78/163252978.db2.gz OJMWUKNXAVBTPO-UHFFFAOYSA-N 0 1 318.289 1.676 20 5 DDBDMN CN1CCN(C)[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287304869 409016725 /nfs/dbraw/zinc/01/67/25/409016725.db2.gz LOEOOZAHOHWQPG-VIFPVBQESA-N 0 1 322.394 1.257 20 5 DDBDMN CC(C)[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCO1 ZINC000293108281 409051979 /nfs/dbraw/zinc/05/19/79/409051979.db2.gz LMXOEIYLTPMOSU-HNNXBMFYSA-N 0 1 321.377 1.941 20 5 DDBDMN Cc1cc([C@@H]2CCCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)n[nH]1 ZINC000283689062 409197457 /nfs/dbraw/zinc/19/74/57/409197457.db2.gz WWRDTFZSNLOIQA-LLVKDONJSA-N 0 1 318.337 1.229 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@H](CO)CN1CCCCC1 ZINC000289243451 409237707 /nfs/dbraw/zinc/23/77/07/409237707.db2.gz ZRABNOREAWBROC-NSHDSACASA-N 0 1 314.773 1.902 20 5 DDBDMN C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289358377 409253461 /nfs/dbraw/zinc/25/34/61/409253461.db2.gz GYMQMROABUOZQS-SNVBAGLBSA-N 0 1 317.349 1.947 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC000294211635 409260672 /nfs/dbraw/zinc/26/06/72/409260672.db2.gz YGYZWPUHAYKIFQ-WRWORJQWSA-N 0 1 300.265 1.744 20 5 DDBDMN O=c1nc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)[nH][nH]1 ZINC000289452636 409275360 /nfs/dbraw/zinc/27/53/60/409275360.db2.gz PFGXZJDBPWYVIA-LLVKDONJSA-N 0 1 303.322 1.386 20 5 DDBDMN O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CC=CCC1 ZINC000280364229 409299418 /nfs/dbraw/zinc/29/94/18/409299418.db2.gz YIZRKDNTIKWQHQ-UHFFFAOYSA-N 0 1 318.377 1.775 20 5 DDBDMN CCS(=O)(=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284301454 409313456 /nfs/dbraw/zinc/31/34/56/409313456.db2.gz YSEUYLYKAPJZBJ-SECBINFHSA-N 0 1 301.368 1.262 20 5 DDBDMN CC1(C)OCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295956521 409381910 /nfs/dbraw/zinc/38/19/10/409381910.db2.gz RIIMNVDXXJFTII-NSHDSACASA-N 0 1 304.306 1.768 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@](C)(O)CC2)c1[N+](=O)[O-] ZINC000280654936 409396295 /nfs/dbraw/zinc/39/62/95/409396295.db2.gz SUYIQROKJUCGCO-CQSZACIVSA-N 0 1 310.354 1.818 20 5 DDBDMN CCc1nc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n[nH]1 ZINC000296096384 409428781 /nfs/dbraw/zinc/42/87/81/409428781.db2.gz GGSFIUXCOZAWSP-UHFFFAOYSA-N 0 1 320.309 1.606 20 5 DDBDMN Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000295405318 409469341 /nfs/dbraw/zinc/46/93/41/409469341.db2.gz IXZOTRPIHRPHHK-CQSZACIVSA-N 0 1 321.377 1.480 20 5 DDBDMN C[C@@H]1OCC[C@]12CN(Cc1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000407993773 164191639 /nfs/dbraw/zinc/19/16/39/164191639.db2.gz UCNOFHKRYXQAFA-NHYWBVRUSA-N 0 1 308.334 1.680 20 5 DDBDMN CCc1nc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000296906918 409697499 /nfs/dbraw/zinc/69/74/99/409697499.db2.gz SKVGLDFQXBREGM-UHFFFAOYSA-N 0 1 304.310 1.905 20 5 DDBDMN O=C(NC1(c2nn[nH]n2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000345473675 409683791 /nfs/dbraw/zinc/68/37/91/409683791.db2.gz ADNIHWQZDDKSED-UHFFFAOYSA-N 0 1 302.294 1.307 20 5 DDBDMN CC1(C)COC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000313062414 409799175 /nfs/dbraw/zinc/79/91/75/409799175.db2.gz OUCZWDOOSSISDG-SNVBAGLBSA-N 0 1 318.326 1.437 20 5 DDBDMN Cc1n[nH]c([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000349372597 409813994 /nfs/dbraw/zinc/81/39/94/409813994.db2.gz MWBFIJVSYGSFIE-LLVKDONJSA-N 0 1 305.342 1.097 20 5 DDBDMN CC(C)[N@H+]1CC[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000316924087 409859892 /nfs/dbraw/zinc/85/98/92/409859892.db2.gz XFZALRYMVNESOM-JTQLQIEISA-N 0 1 308.338 1.830 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCNC1=O ZINC000340217358 410764197 /nfs/dbraw/zinc/76/41/97/410764197.db2.gz BGJAXGRVDNRRMK-CYBMUJFWSA-N 0 1 320.349 1.052 20 5 DDBDMN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000330579885 410794579 /nfs/dbraw/zinc/79/45/79/410794579.db2.gz IIXFFANDUBLSPZ-VXGBXAGGSA-N 0 1 307.350 1.525 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2[C@@H](O)C(F)(F)F)n1 ZINC000340205517 410749828 /nfs/dbraw/zinc/74/98/28/410749828.db2.gz YLPRUAYYCKUGKA-GXSJLCMTSA-N 0 1 322.287 1.569 20 5 DDBDMN Cc1c(CNc2nc3[nH]ncc3c(=O)[nH]2)cccc1[N+](=O)[O-] ZINC000302708420 410850100 /nfs/dbraw/zinc/85/01/00/410850100.db2.gz JYBPVXAWSYSWGI-UHFFFAOYSA-N 0 1 300.278 1.887 20 5 DDBDMN CO[C@@H](C)CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353236592 410869828 /nfs/dbraw/zinc/86/98/28/410869828.db2.gz SWFCGUJCGKVMOR-SMDDNHRTSA-N 0 1 307.350 1.667 20 5 DDBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H](O)C[C@@H]2CO)o1 ZINC000359974850 410976887 /nfs/dbraw/zinc/97/68/87/410976887.db2.gz PLDGINFVUMTOQM-VXGBXAGGSA-N 0 1 318.329 1.782 20 5 DDBDMN Cc1c(NC(=O)CC[N@H+](C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000353476978 411013434 /nfs/dbraw/zinc/01/34/34/411013434.db2.gz ZVYVBFAQXSYLAG-UHFFFAOYSA-N 0 1 307.350 1.687 20 5 DDBDMN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000360113210 411052821 /nfs/dbraw/zinc/05/28/21/411052821.db2.gz QPCFMIOBAFJSRL-SUZMYJTESA-N 0 1 306.366 1.797 20 5 DDBDMN Cc1[nH]ncc1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000344306375 411083785 /nfs/dbraw/zinc/08/37/85/411083785.db2.gz JOCGEMXRHLTXJR-UHFFFAOYSA-N 0 1 324.362 1.722 20 5 DDBDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000366156454 418434223 /nfs/dbraw/zinc/43/42/23/418434223.db2.gz PGSWPGZKGGZKKC-ZOBORPQBSA-N 0 1 318.329 1.557 20 5 DDBDMN CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000373929743 418474440 /nfs/dbraw/zinc/47/44/40/418474440.db2.gz RNCBDQMIKQMCTR-OCCSQVGLSA-N 0 1 303.318 1.195 20 5 DDBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(N(C)C)C1 ZINC000360936807 418550761 /nfs/dbraw/zinc/55/07/61/418550761.db2.gz HBRGBEWMZRJFCB-CYBMUJFWSA-N 0 1 305.378 1.936 20 5 DDBDMN COC[C@@](C)(CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361259781 418614154 /nfs/dbraw/zinc/61/41/54/418614154.db2.gz NGRUOBCFWJWWMN-CQSZACIVSA-N 0 1 308.338 1.348 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCN1CCCOCC1)CCO2 ZINC000361380913 418640018 /nfs/dbraw/zinc/64/00/18/418640018.db2.gz ZCLREBZSNREPMD-UHFFFAOYSA-N 0 1 321.377 1.512 20 5 DDBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCN([C@H](C)CO)CC1 ZINC000367927431 418659001 /nfs/dbraw/zinc/65/90/01/418659001.db2.gz OHCFVTAFYIXWAF-GFCCVEGCSA-N 0 1 321.377 1.690 20 5 DDBDMN CCC[C@H]1CNCCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417949598 419412438 /nfs/dbraw/zinc/41/24/38/419412438.db2.gz VGMJELZSKWJNDF-HNNXBMFYSA-N 0 1 320.393 1.921 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)N(C)C)C1 ZINC000411961881 419523678 /nfs/dbraw/zinc/52/36/78/419523678.db2.gz YLYPPLNVIYSGTJ-GFCCVEGCSA-N 0 1 321.377 1.904 20 5 DDBDMN O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000426866650 419561433 /nfs/dbraw/zinc/56/14/33/419561433.db2.gz LXVVYFOESFDNPY-UHFFFAOYSA-N 0 1 313.269 1.796 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccccn3n2)n1 ZINC000427389790 419653227 /nfs/dbraw/zinc/65/32/27/419653227.db2.gz ITDKZHHEJQIKGB-UHFFFAOYSA-N 0 1 301.266 1.106 20 5 DDBDMN O=[N+]([O-])c1c(NCCN2C[C@H]3CC[C@@H](C2)O3)nc2sccn21 ZINC000450787350 420530948 /nfs/dbraw/zinc/53/09/48/420530948.db2.gz FOWZDNAOVWYBSI-AOOOYVTPSA-N 0 1 323.378 1.579 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450792630 420532445 /nfs/dbraw/zinc/53/24/45/420532445.db2.gz OJEONDCPHFOVPL-TXEJJXNPSA-N 0 1 309.370 1.395 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000456862198 420557115 /nfs/dbraw/zinc/55/71/15/420557115.db2.gz GTNPKZPOWUNTFQ-CYBMUJFWSA-N 0 1 310.379 1.986 20 5 DDBDMN CC[N@@H+]1C[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000445132750 420761533 /nfs/dbraw/zinc/76/15/33/420761533.db2.gz GYHZMFCAICFXRB-ZJUUUORDSA-N 0 1 308.338 1.250 20 5 DDBDMN CC[N@H+]1C[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000445132750 420761536 /nfs/dbraw/zinc/76/15/36/420761536.db2.gz GYHZMFCAICFXRB-ZJUUUORDSA-N 0 1 308.338 1.250 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)Cc2cnc(C(C)C)nc2)c1[N+](=O)[O-] ZINC000442973347 420733702 /nfs/dbraw/zinc/73/37/02/420733702.db2.gz DXVJTYXYXLPZOP-UHFFFAOYSA-N 0 1 318.337 1.812 20 5 DDBDMN C[C@H](N[C@@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447920125 420820041 /nfs/dbraw/zinc/82/00/41/420820041.db2.gz GTNKNGKYGQVAOI-LEWSCRJBSA-N 0 1 323.349 1.051 20 5 DDBDMN COC(=O)COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000449246475 420975778 /nfs/dbraw/zinc/97/57/78/420975778.db2.gz DLFHKOOKVARSBF-SECBINFHSA-N 0 1 316.741 1.916 20 5 DDBDMN C[C@@H]1CN(CCO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449787387 421084738 /nfs/dbraw/zinc/08/47/38/421084738.db2.gz VEEJEDSCXCOQMY-LLVKDONJSA-N 0 1 313.785 1.747 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(CC(F)F)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000456540518 421180279 /nfs/dbraw/zinc/18/02/79/421180279.db2.gz FRAFQOYQFXCUMQ-SSDOTTSWSA-N 0 1 320.296 1.529 20 5 DDBDMN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496913279 421336979 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CCC[NH2+]CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193343758 201034803 /nfs/dbraw/zinc/03/48/03/201034803.db2.gz SXXUWTYSELRMGF-UHFFFAOYSA-N 0 1 321.786 1.526 20 5 DDBDMN COc1cccc(N2CCN(C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000613878906 361616759 /nfs/dbraw/zinc/61/67/59/361616759.db2.gz HMROOVUSJXHBTO-UHFFFAOYSA-N 0 1 309.366 1.496 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000619871606 364168987 /nfs/dbraw/zinc/16/89/87/364168987.db2.gz PIQLMAGXNVECCR-GFCCVEGCSA-N 0 1 322.365 1.250 20 5 DDBDMN O=C(N[C@@H]1CCCOc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000129524218 284030767 /nfs/dbraw/zinc/03/07/67/284030767.db2.gz ICCCCYJGVPIFGA-SNVBAGLBSA-N 0 1 302.290 1.962 20 5 DDBDMN COC[C@@](C)(CC(=O)OC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000350317703 284182102 /nfs/dbraw/zinc/18/21/02/284182102.db2.gz MWAGAJWQXPUVOF-OAHLLOKOSA-N 0 1 310.350 1.961 20 5 DDBDMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000176086575 284352688 /nfs/dbraw/zinc/35/26/88/284352688.db2.gz JQVQEFLRBLBDAQ-LLVKDONJSA-N 0 1 307.350 1.714 20 5 DDBDMN CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288380850 220120605 /nfs/dbraw/zinc/12/06/05/220120605.db2.gz KGSLTQCMLSUTCD-LBPRGKRZSA-N 0 1 305.378 1.998 20 5 DDBDMN O=C(N[C@H]1CCC(=O)NC12CCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282969682 217358543 /nfs/dbraw/zinc/35/85/43/217358543.db2.gz BBRBILIKTKUGRA-LBPRGKRZSA-N 0 1 319.317 1.232 20 5 DDBDMN CN(CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000158791268 197301605 /nfs/dbraw/zinc/30/16/05/197301605.db2.gz RQNUNSLXJHWQTM-UHFFFAOYSA-N 0 1 303.322 1.574 20 5 DDBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(N(C)C)C1 ZINC000158483380 197276827 /nfs/dbraw/zinc/27/68/27/197276827.db2.gz QYFKDPSNUKXXFA-SNVBAGLBSA-N 0 1 309.391 1.848 20 5 DDBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCCCO1 ZINC000157517749 197192919 /nfs/dbraw/zinc/19/29/19/197192919.db2.gz WTJCLHVIQPWNTG-LLVKDONJSA-N 0 1 317.305 1.888 20 5 DDBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[C@@H]1O ZINC000352660154 285204946 /nfs/dbraw/zinc/20/49/46/285204946.db2.gz MUFZGFYNYZMIQM-CABCVRRESA-N 0 1 319.361 1.329 20 5 DDBDMN C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155086090 197020409 /nfs/dbraw/zinc/02/04/09/197020409.db2.gz RENGXNFUOGPKPP-UONOGXRCSA-N 0 1 306.410 1.881 20 5 DDBDMN CN(C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000413354719 224182756 /nfs/dbraw/zinc/18/27/56/224182756.db2.gz GVIWGCJRDJHPGQ-UHFFFAOYSA-N 0 1 315.395 1.750 20 5 DDBDMN Cc1ccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000120601275 195200042 /nfs/dbraw/zinc/20/00/42/195200042.db2.gz HGWBWQIDUHATOL-ZIAGYGMSSA-N 0 1 307.394 1.790 20 5 DDBDMN C[C@@H](NCCN1C(=O)N[C@@H](C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000459388967 533393857 /nfs/dbraw/zinc/39/38/57/533393857.db2.gz PSVNFUORNZGMML-ZJUUUORDSA-N 0 1 306.322 1.186 20 5 DDBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)N(C)C ZINC000451932505 291993714 /nfs/dbraw/zinc/99/37/14/291993714.db2.gz PNYLKBMXLDJECD-NSHDSACASA-N 0 1 315.395 1.440 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000353045113 285479022 /nfs/dbraw/zinc/47/90/22/285479022.db2.gz HFXZEKDWGTUKDC-LLVKDONJSA-N 0 1 312.391 1.959 20 5 DDBDMN Cc1cc(CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000089420698 407133898 /nfs/dbraw/zinc/13/38/98/407133898.db2.gz SWAWBCYJELKLBJ-UHFFFAOYSA-N 0 1 300.278 1.684 20 5 DDBDMN CN1C(=O)NC2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000090005304 407163577 /nfs/dbraw/zinc/16/35/77/407163577.db2.gz HFULLDRXMYYUEH-UHFFFAOYSA-N 0 1 318.333 1.111 20 5 DDBDMN COCCCNC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196110 407208597 /nfs/dbraw/zinc/20/85/97/407208597.db2.gz UMJLKKMALZORAZ-NEPJUHHUSA-N 0 1 309.366 1.787 20 5 DDBDMN CCCOCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201125 407333947 /nfs/dbraw/zinc/33/39/47/407333947.db2.gz DXWFDZNSBZKODZ-UHFFFAOYSA-N 0 1 305.294 1.745 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cnn(C)c1 ZINC000124885945 407372766 /nfs/dbraw/zinc/37/27/66/407372766.db2.gz AHPGSCQWMSOUBA-QMMMGPOBSA-N 0 1 314.305 1.696 20 5 DDBDMN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000124907189 407372933 /nfs/dbraw/zinc/37/29/33/407372933.db2.gz HMHLHDYZCGKSCZ-LLVKDONJSA-N 0 1 322.365 1.690 20 5 DDBDMN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000124907189 407372935 /nfs/dbraw/zinc/37/29/35/407372935.db2.gz HMHLHDYZCGKSCZ-LLVKDONJSA-N 0 1 322.365 1.690 20 5 DDBDMN COC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000114062861 407535633 /nfs/dbraw/zinc/53/56/33/407535633.db2.gz FRXWNAIAJNWQQY-MNOVXSKESA-N 0 1 323.349 1.663 20 5 DDBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000186654327 407732724 /nfs/dbraw/zinc/73/27/24/407732724.db2.gz WXFHXRVTENVDJW-PELKAZGASA-N 0 1 304.306 1.314 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000171795932 407768803 /nfs/dbraw/zinc/76/88/03/407768803.db2.gz SIZQWWLDWLYQIG-UHFFFAOYSA-N 0 1 304.306 1.858 20 5 DDBDMN C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000153518154 407842184 /nfs/dbraw/zinc/84/21/84/407842184.db2.gz QDAWEWRRJCCABT-PHIMTYICSA-N 0 1 318.377 1.992 20 5 DDBDMN Cn1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000133437971 407845053 /nfs/dbraw/zinc/84/50/53/407845053.db2.gz XOJBBSJEZGHDHU-UHFFFAOYSA-N 0 1 310.335 1.313 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000272525212 407963304 /nfs/dbraw/zinc/96/33/04/407963304.db2.gz LTYQOZSURWDLGB-LLVKDONJSA-N 0 1 320.223 1.440 20 5 DDBDMN C[C@H]([C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1)N1CCOCC1 ZINC000272477729 407940335 /nfs/dbraw/zinc/94/03/35/407940335.db2.gz FNIUWOFZWYSTJE-WDEREUQCSA-N 0 1 323.349 1.139 20 5 DDBDMN COCCOCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000175683196 408184508 /nfs/dbraw/zinc/18/45/08/408184508.db2.gz NKZZTASGMZORGP-GFCCVEGCSA-N 0 1 310.354 1.139 20 5 DDBDMN C[C@@H](Cn1cccn1)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000263709821 408217213 /nfs/dbraw/zinc/21/72/13/408217213.db2.gz TVWUMNMDNVKRJG-NSHDSACASA-N 0 1 318.333 1.836 20 5 DDBDMN Cc1c(C(=O)NC2(c3nnc[nH]3)CCC2)cccc1[N+](=O)[O-] ZINC000190363270 408227754 /nfs/dbraw/zinc/22/77/54/408227754.db2.gz SGHNACYISWVTEZ-UHFFFAOYSA-N 0 1 301.306 1.831 20 5 DDBDMN C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000182938223 408288825 /nfs/dbraw/zinc/28/88/25/408288825.db2.gz SQWFMYYYYIHRGE-HTQZYQBOSA-N 0 1 307.285 1.833 20 5 DDBDMN C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1CO ZINC000190897913 408338556 /nfs/dbraw/zinc/33/85/56/408338556.db2.gz RHVBBMQRZZTPEB-PWSUYJOCSA-N 0 1 318.333 1.705 20 5 DDBDMN COCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000264552249 408531240 /nfs/dbraw/zinc/53/12/40/408531240.db2.gz PHAZHAWEPKKZJF-LLVKDONJSA-N 0 1 323.349 1.054 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000264552249 408531248 /nfs/dbraw/zinc/53/12/48/408531248.db2.gz PHAZHAWEPKKZJF-LLVKDONJSA-N 0 1 323.349 1.054 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000274727430 408511349 /nfs/dbraw/zinc/51/13/49/408511349.db2.gz AHYIZDFPTRBTDV-APPZFPTMSA-N 0 1 310.310 1.040 20 5 DDBDMN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000191701314 408471727 /nfs/dbraw/zinc/47/17/27/408471727.db2.gz HVBYASNUZFEZNY-UHFFFAOYSA-N 0 1 308.338 1.039 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2CO)c1[N+](=O)[O-] ZINC000274829820 408547367 /nfs/dbraw/zinc/54/73/67/408547367.db2.gz RNZURSZPFHDTHM-GFCCVEGCSA-N 0 1 316.317 1.358 20 5 DDBDMN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274944703 408572472 /nfs/dbraw/zinc/57/24/72/408572472.db2.gz RCYSNJQMHZMXQC-KCPJHIHWSA-N 0 1 310.350 1.885 20 5 DDBDMN C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)CN1CCOCC1 ZINC000265615804 408713268 /nfs/dbraw/zinc/71/32/68/408713268.db2.gz WLJOJERQJCLTBW-JTQLQIEISA-N 0 1 321.337 1.511 20 5 DDBDMN C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000164909244 408806319 /nfs/dbraw/zinc/80/63/19/408806319.db2.gz KXAIUFPQPNEDLN-KOLCDFICSA-N 0 1 305.334 1.655 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CCO)c2ccco2)c1 ZINC000185124654 408765201 /nfs/dbraw/zinc/76/52/01/408765201.db2.gz MQQJJFKFCHTZCQ-UONOGXRCSA-N 0 1 306.318 1.935 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000285631178 408831712 /nfs/dbraw/zinc/83/17/12/408831712.db2.gz AFKVZRCVMLADTK-MWLCHTKSSA-N 0 1 322.287 1.284 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000285631164 408831769 /nfs/dbraw/zinc/83/17/69/408831769.db2.gz AFKVZRCVMLADTK-KOLCDFICSA-N 0 1 322.287 1.284 20 5 DDBDMN CNC(=O)CC[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000286333712 408965770 /nfs/dbraw/zinc/96/57/70/408965770.db2.gz ZFJZEBPROLKZAW-SNVBAGLBSA-N 0 1 323.353 1.147 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000277678343 408990982 /nfs/dbraw/zinc/99/09/82/408990982.db2.gz GDMNTLCUGLZLNR-GXSJLCMTSA-N 0 1 322.287 1.427 20 5 DDBDMN COCCO[C@H]1C[C@H](CO)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000278398498 409080115 /nfs/dbraw/zinc/08/01/15/409080115.db2.gz WCFCSRITTLIYLB-HOCLYGCPSA-N 0 1 324.377 1.441 20 5 DDBDMN Cc1cc([C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000283085742 409085144 /nfs/dbraw/zinc/08/51/44/409085144.db2.gz FPCUVDJMUWVQFS-LLVKDONJSA-N 0 1 318.337 1.229 20 5 DDBDMN O=C(NCC1=CCCOC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000288133581 409151086 /nfs/dbraw/zinc/15/10/86/409151086.db2.gz WDKKLMDQZQLVOY-UHFFFAOYSA-N 0 1 302.290 1.548 20 5 DDBDMN CCC[C@@]1(CO)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000288808738 409181988 /nfs/dbraw/zinc/18/19/88/409181988.db2.gz MHWCNUUTXCJWNH-MRXNPFEDSA-N 0 1 321.377 1.678 20 5 DDBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)C1 ZINC000293945824 409211321 /nfs/dbraw/zinc/21/13/21/409211321.db2.gz RRSRQQMENMSJFB-HNNXBMFYSA-N 0 1 305.334 1.468 20 5 DDBDMN CCCc1n[nH]c(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280264799 409280099 /nfs/dbraw/zinc/28/00/99/409280099.db2.gz OUKHJYUWOUHHRM-UHFFFAOYSA-N 0 1 307.354 1.262 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000262665569 163863630 /nfs/dbraw/zinc/86/36/30/163863630.db2.gz PIFXMNVMXIAQAT-LLVKDONJSA-N 0 1 321.333 1.638 20 5 DDBDMN CCOc1cccc(N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284995662 409391190 /nfs/dbraw/zinc/39/11/90/409391190.db2.gz LREHYTSGIHXJDQ-KGLIPLIRSA-N 0 1 321.377 1.903 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000331486248 409565477 /nfs/dbraw/zinc/56/54/77/409565477.db2.gz OVCAISGISQCHNL-LLVKDONJSA-N 0 1 318.337 1.727 20 5 DDBDMN C[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296536669 409605119 /nfs/dbraw/zinc/60/51/19/409605119.db2.gz DQKPUIVHKRCHSJ-UPJWGTAASA-N 0 1 321.377 1.881 20 5 DDBDMN C[C@@H]1[C@@H](C)N(C(=O)CCNc2ccccc2[N+](=O)[O-])CCN1C ZINC000356891006 409694504 /nfs/dbraw/zinc/69/45/04/409694504.db2.gz WCVYAGCNCZKOSW-CHWSQXEVSA-N 0 1 320.393 1.948 20 5 DDBDMN Cc1nn(C)c(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1[N+](=O)[O-] ZINC000331589724 409668621 /nfs/dbraw/zinc/66/86/21/409668621.db2.gz UBTXMCZHPMAAHC-SECBINFHSA-N 0 1 304.310 1.167 20 5 DDBDMN CC(C)[NH+](CCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)C ZINC000357052928 409825278 /nfs/dbraw/zinc/82/52/78/409825278.db2.gz FXIIHQAVBSXDQV-UHFFFAOYSA-N 0 1 324.381 1.886 20 5 DDBDMN COc1ccc(CN[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000315447437 409842208 /nfs/dbraw/zinc/84/22/08/409842208.db2.gz JZJHBTNYJFUQAA-MWLCHTKSSA-N 0 1 314.363 1.269 20 5 DDBDMN Cn1nc([N+](=O)[O-])cc1-c1nc(-c2ccc(O)c(F)c2)no1 ZINC000350586750 409967020 /nfs/dbraw/zinc/96/70/20/409967020.db2.gz BDSVUECEVSQYNO-UHFFFAOYSA-N 0 1 305.225 1.890 20 5 DDBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000332202793 409973623 /nfs/dbraw/zinc/97/36/23/409973623.db2.gz CSDCGQCCILQQSI-JTQLQIEISA-N 0 1 314.363 1.167 20 5 DDBDMN CCOc1cc(Cn2[nH]c(SC)nc2=O)ccc1[N+](=O)[O-] ZINC000355946129 410741784 /nfs/dbraw/zinc/74/17/84/410741784.db2.gz UHTGPYFSWWUGCT-UHFFFAOYSA-N 0 1 310.335 1.649 20 5 DDBDMN CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000330555468 410771156 /nfs/dbraw/zinc/77/11/56/410771156.db2.gz GWHFKEASBWGZBZ-GHMZBOCLSA-N 0 1 307.350 1.855 20 5 DDBDMN Cc1ncc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC000359614794 410773587 /nfs/dbraw/zinc/77/35/87/410773587.db2.gz VYWBIBFXBHMROY-UHFFFAOYSA-N 0 1 302.290 1.661 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1nnc[nH]1 ZINC000128996219 196010840 /nfs/dbraw/zinc/01/08/40/196010840.db2.gz AJQNLAGRIGUMPH-MRVPVSSYSA-N 0 1 311.323 1.061 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000373969870 418479533 /nfs/dbraw/zinc/47/95/33/418479533.db2.gz JFQWIXOQSVOTRJ-GRYCIOLGSA-N 0 1 304.302 1.744 20 5 DDBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000374558223 418540466 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/nfs/dbraw/zinc/73/94/90/407739490.db2.gz PCIWHOPMDKMVMR-UHFFFAOYSA-N 0 1 307.354 1.048 20 5 DDBDMN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCN1 ZINC000179178755 407744833 /nfs/dbraw/zinc/74/48/33/407744833.db2.gz VDEKJCFCRMDAFW-LLVKDONJSA-N 0 1 315.333 1.214 20 5 DDBDMN CN(C)[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000153178634 407770725 /nfs/dbraw/zinc/77/07/25/407770725.db2.gz RFKTWNTZGSVFLP-ZDUSSCGKSA-N 0 1 313.379 1.061 20 5 DDBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2nc[nH]n2)CC1 ZINC000134482855 407903748 /nfs/dbraw/zinc/90/37/48/407903748.db2.gz FLVHYYVCEGJYLB-UHFFFAOYSA-N 0 1 319.296 1.872 20 5 DDBDMN COc1cc(OCC(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153539990 407847439 /nfs/dbraw/zinc/84/74/39/407847439.db2.gz FVIZWEQUGQOGKH-GHMZBOCLSA-N 0 1 323.349 1.191 20 5 DDBDMN [NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000237934490 407851567 /nfs/dbraw/zinc/85/15/67/407851567.db2.gz DLPLUXDXTNCXMI-DTWKUNHWSA-N 0 1 319.408 1.452 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262809457 407941940 /nfs/dbraw/zinc/94/19/40/407941940.db2.gz XSXFPVSNOJEBLT-WDEREUQCSA-N 0 1 313.379 1.274 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000268408179 408033571 /nfs/dbraw/zinc/03/35/71/408033571.db2.gz GLTKUPWVZRBLSZ-WDEREUQCSA-N 0 1 320.349 1.990 20 5 DDBDMN CCN(C)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175092037 408049288 /nfs/dbraw/zinc/04/92/88/408049288.db2.gz UFGDEIRBOLVBEN-UHFFFAOYSA-N 0 1 315.395 1.442 20 5 DDBDMN COc1cc(CN[C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000189349497 408007774 /nfs/dbraw/zinc/00/77/74/408007774.db2.gz SCGOMUBRHJZLAY-KGLIPLIRSA-N 0 1 310.350 1.861 20 5 DDBDMN CC[C@@H](C)[C@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000119439219 408071092 /nfs/dbraw/zinc/07/10/92/408071092.db2.gz CBBLBNDNCZOMMJ-LDYMZIIASA-N 0 1 320.342 1.419 20 5 DDBDMN CC1CCN(CC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000268539398 408090145 /nfs/dbraw/zinc/09/01/45/408090145.db2.gz SKAWIKAUHJPBNB-UHFFFAOYSA-N 0 1 305.378 1.985 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ncn(C3CCCCC3)n2)n1 ZINC000273189219 408097920 /nfs/dbraw/zinc/09/79/20/408097920.db2.gz OUYHFCFUHHBPRC-UHFFFAOYSA-N 0 1 319.325 1.677 20 5 DDBDMN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1 ZINC000175397769 408121592 /nfs/dbraw/zinc/12/15/92/408121592.db2.gz PGLQBXXTKQNAFS-UHFFFAOYSA-N 0 1 302.334 1.900 20 5 DDBDMN C[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000182444932 408162956 /nfs/dbraw/zinc/16/29/56/408162956.db2.gz JNIKTUAGSLKONK-SECBINFHSA-N 0 1 304.310 1.316 20 5 DDBDMN NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269297149 408257451 /nfs/dbraw/zinc/25/74/51/408257451.db2.gz RZUQEPBZZFGWPI-VXGBXAGGSA-N 0 1 307.306 1.074 20 5 DDBDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273459889 408208075 /nfs/dbraw/zinc/20/80/75/408208075.db2.gz VSIHAZDRVXUOEI-JOYOIKCWSA-N 0 1 305.334 1.513 20 5 DDBDMN COCC[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269337004 408273188 /nfs/dbraw/zinc/27/31/88/408273188.db2.gz PEISKSKZUHKSMB-UHFFFAOYSA-N 0 1 323.349 1.095 20 5 DDBDMN CC(C)[C@H]1CN(C)CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000151263371 408285539 /nfs/dbraw/zinc/28/55/39/408285539.db2.gz YKOPIYRYUANKRR-OAHLLOKOSA-N 0 1 320.393 1.805 20 5 DDBDMN COc1cc(CN(C)CC2CC(O)C2)c([N+](=O)[O-])cc1OC ZINC000191168115 408381451 /nfs/dbraw/zinc/38/14/51/408381451.db2.gz BQAXRCAAJSNJIG-UHFFFAOYSA-N 0 1 310.350 1.815 20 5 DDBDMN CCC[C@@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000183364753 408390228 /nfs/dbraw/zinc/39/02/28/408390228.db2.gz SPTGASQTNPMQNK-OAHLLOKOSA-N 0 1 321.377 1.884 20 5 DDBDMN CCC[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000176769571 408438255 /nfs/dbraw/zinc/43/82/55/408438255.db2.gz NUNVJYLAQYSAMC-JTQLQIEISA-N 0 1 319.325 1.177 20 5 DDBDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000270421240 408528128 /nfs/dbraw/zinc/52/81/28/408528128.db2.gz GDVVUGMASBDFLJ-MFKMUULPSA-N 0 1 307.350 1.429 20 5 DDBDMN COCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000264609583 408540473 /nfs/dbraw/zinc/54/04/73/408540473.db2.gz ZDAMVITUNCKZRT-CYBMUJFWSA-N 0 1 307.350 1.354 20 5 DDBDMN CC(C)OC(=O)C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000184498486 408630195 /nfs/dbraw/zinc/63/01/95/408630195.db2.gz OCSHAEYGQLDDFB-ZDUSSCGKSA-N 0 1 324.381 1.845 20 5 DDBDMN CC[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000270694092 408641620 /nfs/dbraw/zinc/64/16/20/408641620.db2.gz WPWCBGPRMBIKJZ-QPUJVOFHSA-N 0 1 304.306 1.314 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2ncon2)c1[N+](=O)[O-] ZINC000265665729 408738781 /nfs/dbraw/zinc/73/87/81/408738781.db2.gz FZDIZMFSHXBOSO-QMMMGPOBSA-N 0 1 306.282 1.377 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCN(CCC3OCCO3)CC2)cc1 ZINC000185319978 408794122 /nfs/dbraw/zinc/79/41/22/408794122.db2.gz AOBJENLWWPVMKJ-UHFFFAOYSA-N 0 1 307.350 1.480 20 5 DDBDMN O=c1nc([C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000285805354 408867455 /nfs/dbraw/zinc/86/74/55/408867455.db2.gz YLHAVLWDXNHLIT-SSDOTTSWSA-N 0 1 324.728 1.439 20 5 DDBDMN Cc1cc(OCC(=O)N2[C@H](C)CN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000281760359 408925540 /nfs/dbraw/zinc/92/55/40/408925540.db2.gz SMXPQEIQVYPGGT-CHWSQXEVSA-N 0 1 321.377 1.833 20 5 DDBDMN COCC[N@H+]1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278182305 409075839 /nfs/dbraw/zinc/07/58/39/409075839.db2.gz QWQSZWULQJQCFL-UHFFFAOYSA-N 0 1 321.377 1.698 20 5 DDBDMN COCCN1CCCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278182305 409075842 /nfs/dbraw/zinc/07/58/42/409075842.db2.gz QWQSZWULQJQCFL-UHFFFAOYSA-N 0 1 321.377 1.698 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+](C2CC2)C1 ZINC000295222084 409382636 /nfs/dbraw/zinc/38/26/36/409382636.db2.gz APZAIAHKJQKZDP-NSHDSACASA-N 0 1 319.361 1.857 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)cnc1NCCN1CCC(O)CC1 ZINC000295991408 409394303 /nfs/dbraw/zinc/39/43/03/409394303.db2.gz LYRYNUIUBWGUTM-UHFFFAOYSA-N 0 1 300.746 1.512 20 5 DDBDMN C[C@@H]1CN(C(=O)NCc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000296140937 409444094 /nfs/dbraw/zinc/44/40/94/409444094.db2.gz CRAQVAKKRUMBKY-TXEJJXNPSA-N 0 1 306.366 1.829 20 5 DDBDMN Cn1c(C(=O)N2CCNC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000313365023 409807271 /nfs/dbraw/zinc/80/72/71/409807271.db2.gz VHQBTKSCJXIZPO-CQSZACIVSA-N 0 1 314.345 1.720 20 5 DDBDMN CCc1nc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000297495720 409919887 /nfs/dbraw/zinc/91/98/87/409919887.db2.gz BHWIARLVGAJAKY-UHFFFAOYSA-N 0 1 318.337 1.317 20 5 DDBDMN C[C@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC[N@H+]1C ZINC000342829722 409931003 /nfs/dbraw/zinc/93/10/03/409931003.db2.gz FZSGAHHQWCSJPU-CABZTGNLSA-N 0 1 317.349 2.138 20 5 DDBDMN C[C@H]1[C@@H](Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCN1C ZINC000342829722 409931010 /nfs/dbraw/zinc/93/10/10/409931010.db2.gz FZSGAHHQWCSJPU-CABZTGNLSA-N 0 1 317.349 2.138 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000357777681 410244692 /nfs/dbraw/zinc/24/46/92/410244692.db2.gz FUOIITATLMQVBG-AXFHLTTASA-N 0 1 308.338 1.546 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000343339420 410374271 /nfs/dbraw/zinc/37/42/71/410374271.db2.gz DDGPYBBXGVFDRQ-ZETCQYMHSA-N 0 1 305.294 1.521 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343432244 410448579 /nfs/dbraw/zinc/44/85/79/410448579.db2.gz KLEQWZGKIDVONH-MFKMUULPSA-N 0 1 307.350 1.816 20 5 DDBDMN CC(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000347300300 410454883 /nfs/dbraw/zinc/45/48/83/410454883.db2.gz CJOCDWYQVVWJKR-UHFFFAOYSA-N 0 1 321.314 1.415 20 5 DDBDMN CN1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299098840 410522223 /nfs/dbraw/zinc/52/22/23/410522223.db2.gz PZKORPBSGAPPDF-UHFFFAOYSA-N 0 1 302.334 1.854 20 5 DDBDMN CCc1nc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n[nH]1 ZINC000352305955 410612098 /nfs/dbraw/zinc/61/20/98/410612098.db2.gz VFTQOSNZTDSJPI-UHFFFAOYSA-N 0 1 305.250 1.256 20 5 DDBDMN CCc1n[nH]c(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000352305955 410612101 /nfs/dbraw/zinc/61/21/01/410612101.db2.gz VFTQOSNZTDSJPI-UHFFFAOYSA-N 0 1 305.250 1.256 20 5 DDBDMN Cn1cc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000343871707 410768050 /nfs/dbraw/zinc/76/80/50/410768050.db2.gz STHJCFSOYVKXEK-LLVKDONJSA-N 0 1 306.326 1.569 20 5 DDBDMN Cn1c(C(=O)Nc2ccccc2-c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000356200876 410891582 /nfs/dbraw/zinc/89/15/82/410891582.db2.gz FUQJCAHKZRXQJO-UHFFFAOYSA-N 0 1 312.289 1.971 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344055657 410922985 /nfs/dbraw/zinc/92/29/85/410922985.db2.gz KUSVPNXLTQARLO-BAESOJJISA-N 0 1 319.361 1.625 20 5 DDBDMN NC(=O)C1CCC(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356516474 411067114 /nfs/dbraw/zinc/06/71/14/411067114.db2.gz WFSIKDWWLLILKL-UHFFFAOYSA-N 0 1 307.306 1.074 20 5 DDBDMN COc1c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cccc1[N+](=O)[O-] ZINC000356453346 411038896 /nfs/dbraw/zinc/03/88/96/411038896.db2.gz COJAPPOHXYMMPI-VIFPVBQESA-N 0 1 318.333 1.996 20 5 DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000134398703 196386277 /nfs/dbraw/zinc/38/62/77/196386277.db2.gz JXSVOWXRCXRIDS-AWEZNQCLSA-N 0 1 323.393 1.896 20 5 DDBDMN COc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000295779174 225227651 /nfs/dbraw/zinc/22/76/51/225227651.db2.gz QKVBZGQHVDEAPV-UHFFFAOYSA-N 0 1 319.321 1.775 20 5 DDBDMN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000373809448 418462447 /nfs/dbraw/zinc/46/24/47/418462447.db2.gz JENQDCOINKARCE-OAHLLOKOSA-N 0 1 324.381 1.451 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC2(CCO2)CC1 ZINC000374474236 418534656 /nfs/dbraw/zinc/53/46/56/418534656.db2.gz YRPCIIYAGJYTPH-UHFFFAOYSA-N 0 1 316.317 1.866 20 5 DDBDMN C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000366856861 418527301 /nfs/dbraw/zinc/52/73/01/418527301.db2.gz ZUHQTUBJMFYNLW-YUSALJHKSA-N 0 1 316.317 1.449 20 5 DDBDMN Cn1cc(-c2ccccc2CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000366976431 418545761 /nfs/dbraw/zinc/54/57/61/418545761.db2.gz IFBRNCQBFOZFNE-ZIAGYGMSSA-N 0 1 300.318 1.369 20 5 DDBDMN C[C@@H](O)CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189558593 222047437 /nfs/dbraw/zinc/04/74/37/222047437.db2.gz AKILFUQAIZUYFN-NWDGAFQWSA-N 0 1 311.357 1.621 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC(F)(F)[C@H](C)C2)c1[N+](=O)[O-] ZINC000291006439 222066747 /nfs/dbraw/zinc/06/67/47/222066747.db2.gz UJSCEWVUISJKSS-SSDOTTSWSA-N 0 1 302.281 1.998 20 5 DDBDMN CC(C)c1nc([C@H](C)Nc2nccc(C(N)=O)c2[N+](=O)[O-])n[nH]1 ZINC000291022430 222078123 /nfs/dbraw/zinc/07/81/23/222078123.db2.gz XWFZWMNLZBNIGK-ZETCQYMHSA-N 0 1 319.325 1.503 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000375043510 418595111 /nfs/dbraw/zinc/59/51/11/418595111.db2.gz VXSTVNVHZKDFIR-LLVKDONJSA-N 0 1 302.294 1.475 20 5 DDBDMN Cc1cccnc1C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000368290310 418715491 /nfs/dbraw/zinc/71/54/91/418715491.db2.gz FKFNETHFOJXCKF-UHFFFAOYSA-N 0 1 301.306 1.483 20 5 DDBDMN CC(C)[C@]1(CO)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368068001 418683929 /nfs/dbraw/zinc/68/39/29/418683929.db2.gz DNJFVCBVITVRAC-MRXNPFEDSA-N 0 1 321.377 1.534 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000368171829 418698997 /nfs/dbraw/zinc/69/89/97/418698997.db2.gz VNVQSTSXLMAPED-DVOMOZLQSA-N 0 1 302.330 1.648 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000371292659 418776813 /nfs/dbraw/zinc/77/68/13/418776813.db2.gz CTQQVSJRMUATFF-INWMFGNUSA-N 0 1 302.330 1.352 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000365626073 418883436 /nfs/dbraw/zinc/88/34/36/418883436.db2.gz WRCUCDFKSRJAHF-IJEWVQPXSA-N 0 1 322.336 1.244 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000428159262 419824213 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CNC(=O)C[C@@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000449605737 421037384 /nfs/dbraw/zinc/03/73/84/421037384.db2.gz XCATUHSBAGACTE-SECBINFHSA-N 0 1 311.338 1.226 20 5 DDBDMN Cc1c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cnn1C ZINC000488717435 421107172 /nfs/dbraw/zinc/10/71/72/421107172.db2.gz SJXCGQPNVHIFQN-UHFFFAOYSA-N 0 1 304.354 1.670 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2ncon2)c1[N+](=O)[O-] ZINC000560659286 421287386 /nfs/dbraw/zinc/28/73/86/421287386.db2.gz RWIQIBSREFHNRG-QMMMGPOBSA-N 0 1 320.309 1.802 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](OCC3CC3)C2)c1[N+](=O)[O-] ZINC000547982526 421386077 /nfs/dbraw/zinc/38/60/77/421386077.db2.gz RSIDPJGZQQBIKJ-NSHDSACASA-N 0 1 308.338 1.658 20 5 DDBDMN O=C(NCCN1CC=CCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000527523033 421393765 /nfs/dbraw/zinc/39/37/65/421393765.db2.gz KPCSTCKZXXWJOF-UHFFFAOYSA-N 0 1 304.350 1.656 20 5 DDBDMN Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205143 421471943 /nfs/dbraw/zinc/47/19/43/421471943.db2.gz KQPNFWVFIHLLTR-LBPRGKRZSA-N 0 1 321.333 1.122 20 5 DDBDMN Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205143 421471946 /nfs/dbraw/zinc/47/19/46/421471946.db2.gz KQPNFWVFIHLLTR-LBPRGKRZSA-N 0 1 321.333 1.122 20 5 DDBDMN O=C([O-])C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000563212314 421472958 /nfs/dbraw/zinc/47/29/58/421472958.db2.gz RXTMDNYFORKAEA-UHFFFAOYSA-N 0 1 324.333 1.539 20 5 DDBDMN CN1CC[C@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548955262 421488087 /nfs/dbraw/zinc/48/80/87/421488087.db2.gz ZACBQHAHPAFBLT-QWHCGFSZSA-N 0 1 315.333 1.493 20 5 DDBDMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000517173111 421599012 /nfs/dbraw/zinc/59/90/12/421599012.db2.gz QGODVACJGFNOSE-PHIMTYICSA-N 0 1 323.397 1.996 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C2CCOCC2)CC1 ZINC000581391141 421963953 /nfs/dbraw/zinc/96/39/53/421963953.db2.gz SUDMOGPUNQHEHF-UHFFFAOYSA-N 0 1 323.397 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1.701 20 5 DDBDMN CN1CCCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000602141055 358841009 /nfs/dbraw/zinc/84/10/09/358841009.db2.gz KPWCOCQJMMVFRT-ZDUSSCGKSA-N 0 1 321.381 1.439 20 5 DDBDMN CO[C@@]1(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602432188 358972919 /nfs/dbraw/zinc/97/29/19/358972919.db2.gz DZEUCSPTCLERGP-MRXNPFEDSA-N 0 1 321.377 1.522 20 5 DDBDMN CC(C)c1ccc(C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602549964 359040356 /nfs/dbraw/zinc/04/03/56/359040356.db2.gz GMKWNTVYTDIFGR-GFCCVEGCSA-N 0 1 307.350 1.436 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H]2COCC[C@H]21 ZINC000602784995 359190806 /nfs/dbraw/zinc/19/08/06/359190806.db2.gz QVMXZSIOTLZBTR-VXGBXAGGSA-N 0 1 312.395 1.306 20 5 DDBDMN Cn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000618575437 363678937 /nfs/dbraw/zinc/67/89/37/363678937.db2.gz GTNCIULVLGWXRA-NWDGAFQWSA-N 0 1 305.342 1.193 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000609269116 360285276 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CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193574230 201078623 /nfs/dbraw/zinc/07/86/23/201078623.db2.gz QMGNXXBZDBUEON-NSHDSACASA-N 0 1 308.338 1.300 20 5 DDBDMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193574230 201078626 /nfs/dbraw/zinc/07/86/26/201078626.db2.gz QMGNXXBZDBUEON-NSHDSACASA-N 0 1 308.338 1.300 20 5 DDBDMN CCC[C@]1(C)C(=O)NCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000275773376 284036310 /nfs/dbraw/zinc/03/63/10/284036310.db2.gz DQBZIHLRZHZNAK-OAHLLOKOSA-N 0 1 321.333 1.431 20 5 DDBDMN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1n[nH]cc1[N+](=O)[O-] ZINC000179260668 284083115 /nfs/dbraw/zinc/08/31/15/284083115.db2.gz SWEFCLWZVLVGFN-SECBINFHSA-N 0 1 306.253 1.711 20 5 DDBDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1CCSCC1 ZINC000264783580 204152713 /nfs/dbraw/zinc/15/27/13/204152713.db2.gz JCCHESNATBTJDN-AATRIKPKSA-N 0 1 321.402 1.773 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CSc1nc(N)cc(N)n1 ZINC000018541046 182101910 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305.334 1.513 20 5 DDBDMN CC(=O)N1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065209191 184314472 /nfs/dbraw/zinc/31/44/72/184314472.db2.gz DCAUTUUYXIKDQX-UHFFFAOYSA-N 0 1 307.350 1.528 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](CF)C1 ZINC000412440761 224031634 /nfs/dbraw/zinc/03/16/34/224031634.db2.gz WOXXPFLCPZXOGW-VIFPVBQESA-N 0 1 308.269 1.282 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(O)CCCC1 ZINC000158342975 197264507 /nfs/dbraw/zinc/26/45/07/197264507.db2.gz XEEUQCPTQXFYPI-UHFFFAOYSA-N 0 1 318.326 1.317 20 5 DDBDMN COc1ccc(CNC(=O)N2CCN[C@H](C)C2)cc1[N+](=O)[O-] ZINC000417201594 533601808 /nfs/dbraw/zinc/60/18/08/533601808.db2.gz WRXNWHFTKHQNFG-SNVBAGLBSA-N 0 1 308.338 1.107 20 5 DDBDMN Cc1n[n-]c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299461914 533667056 /nfs/dbraw/zinc/66/70/56/533667056.db2.gz ZVIGWQNDFHVQEV-SECBINFHSA-N 0 1 323.378 1.721 20 5 DDBDMN Cc1n[nH]c(C(=O)NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000299461914 533667060 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Cc1ccc([N+](=O)[O-])c(N(C)CCC[NH+]2CCN(C)CC2)n1 ZINC000125425004 407388231 /nfs/dbraw/zinc/38/82/31/407388231.db2.gz YWXHUXUBHOHDJI-UHFFFAOYSA-N 0 1 307.398 1.372 20 5 DDBDMN CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000185725684 407487448 /nfs/dbraw/zinc/48/74/48/407487448.db2.gz AZZNSTXUYBMNIT-PWSUYJOCSA-N 0 1 322.365 1.498 20 5 DDBDMN CC[N@H+]1CC[C@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000185725684 407487455 /nfs/dbraw/zinc/48/74/55/407487455.db2.gz AZZNSTXUYBMNIT-PWSUYJOCSA-N 0 1 322.365 1.498 20 5 DDBDMN C[C@H](CCN(C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271322178 407634783 /nfs/dbraw/zinc/63/47/83/407634783.db2.gz UMCQVQRYFTUERB-MRVPVSSYSA-N 0 1 321.424 1.812 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179117827 407729350 /nfs/dbraw/zinc/72/93/50/407729350.db2.gz NQXDJRISQJTDLH-UHFFFAOYSA-N 0 1 313.317 1.967 20 5 DDBDMN COC(=O)CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000186556415 407701162 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DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC(O)CC1 ZINC000296783860 409636613 /nfs/dbraw/zinc/63/66/13/409636613.db2.gz CYXXLWHMDOGIJV-UHFFFAOYSA-N 0 1 307.350 1.090 20 5 DDBDMN Cc1ccc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000349122720 409708426 /nfs/dbraw/zinc/70/84/26/409708426.db2.gz KJDBKACXEZJMQZ-MRVPVSSYSA-N 0 1 311.323 1.061 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC(O)CC1 ZINC000296946860 409719962 /nfs/dbraw/zinc/71/99/62/409719962.db2.gz NFQXUZMJMZOFND-UHFFFAOYSA-N 0 1 307.350 1.090 20 5 DDBDMN CCc1nc(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000297093234 409799300 /nfs/dbraw/zinc/79/93/00/409799300.db2.gz CIZCVCDZUBMKBB-UHFFFAOYSA-N 0 1 304.310 1.905 20 5 DDBDMN O=C(NCCc1nc[nH]n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000342670902 409802422 /nfs/dbraw/zinc/80/24/22/409802422.db2.gz PSFVWGUNLARGLM-UHFFFAOYSA-N 0 1 310.701 1.731 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000332013695 409811651 /nfs/dbraw/zinc/81/16/51/409811651.db2.gz 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DDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000799064049 700112520 /nfs/dbraw/zinc/11/25/20/700112520.db2.gz LXUCCNNNOSNFQV-SNVBAGLBSA-N 0 1 315.333 1.905 20 5 DDBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1nc[nH]n1)CC2 ZINC000773996728 697832182 /nfs/dbraw/zinc/83/21/82/697832182.db2.gz OMSDFNWWLASUTB-UHFFFAOYSA-N 0 1 301.306 1.543 20 5 DDBDMN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000800580156 700234130 /nfs/dbraw/zinc/23/41/30/700234130.db2.gz ZXQQPDQTUULTFC-SNVBAGLBSA-N 0 1 306.709 1.869 20 5 DDBDMN CC(C)n1cc2c(n1)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000781054712 698586138 /nfs/dbraw/zinc/58/61/38/698586138.db2.gz OGOOHDOAZJPKEI-JTQLQIEISA-N 0 1 318.337 1.903 20 5 DDBDMN O=C(NCc1cnc[nH]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781995674 698670697 /nfs/dbraw/zinc/67/06/97/698670697.db2.gz WDNVKPZSUCDCCE-ZDUSSCGKSA-N 0 1 315.289 1.127 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1C=CCC1 ZINC000711769185 699259631 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Cc1nn(CN2CC[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000756861339 700646177 /nfs/dbraw/zinc/64/61/77/700646177.db2.gz CDYMXTXKMQGXLA-HNNXBMFYSA-N 0 1 317.349 1.718 20 5 DDBDMN COC(=O)C=Cc1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000759635760 700763491 /nfs/dbraw/zinc/76/34/91/700763491.db2.gz AXYFDSWOABMQBK-HYXAFXHYSA-N 0 1 317.305 1.554 20 5 DDBDMN Cc1c(NC(=O)[C@@H](C)N2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000761076320 700840457 /nfs/dbraw/zinc/84/04/57/700840457.db2.gz NRRLOSOLCXRHFT-WCQYABFASA-N 0 1 320.393 1.866 20 5 DDBDMN C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000761080659 700841267 /nfs/dbraw/zinc/84/12/67/700841267.db2.gz VBJCBSXPSPIZPJ-NSHDSACASA-N 0 1 317.349 1.781 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)on1 ZINC000768809036 701204691 /nfs/dbraw/zinc/20/46/91/701204691.db2.gz FKRLDXVNGPWYPC-UHFFFAOYSA-N 0 1 303.321 1.431 20 5 DDBDMN O=C(NC[C@H]1CCN(c2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839773964 701821772 /nfs/dbraw/zinc/82/17/72/701821772.db2.gz KILXKCJMBBNWOA-JTNHKYCSSA-N 0 1 307.325 1.433 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n[nH]1 ZINC000840221951 702033597 /nfs/dbraw/zinc/03/35/97/702033597.db2.gz PFLRFVPJSNCKHD-VIFPVBQESA-N 0 1 322.325 1.529 20 5 DDBDMN CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840330275 702072350 /nfs/dbraw/zinc/07/23/50/702072350.db2.gz ULOUHABMBWIPKI-IJLUTSLNSA-N 0 1 306.318 1.340 20 5 DDBDMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840461512 702117902 /nfs/dbraw/zinc/11/79/02/702117902.db2.gz IWQNCIWMOYICOJ-NNYUYHANSA-N 0 1 311.382 1.146 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000840462942 702118746 /nfs/dbraw/zinc/11/87/46/702118746.db2.gz FANREPDFRLSPHF-JHJVBQTASA-N 0 1 300.318 1.623 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000840671884 702194798 /nfs/dbraw/zinc/19/47/98/702194798.db2.gz DKNPGJHLBWGWMH-JMJZKYOTSA-N 0 1 324.358 1.230 20 5 DDBDMN C[C@@H](NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840672970 702196805 /nfs/dbraw/zinc/19/68/05/702196805.db2.gz UGRCRVFVRIRZDV-OTMMVIPVSA-N 0 1 324.308 1.600 20 5 DDBDMN CCc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673423 702197995 /nfs/dbraw/zinc/19/79/95/702197995.db2.gz YQSCBBBHBLKGIL-UFGOTCBOSA-N 0 1 306.318 1.784 20 5 DDBDMN CN(C)c1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000841176697 702377886 /nfs/dbraw/zinc/37/78/86/702377886.db2.gz NKRVKWQXBFKALS-MWLCHTKSSA-N 0 1 309.278 1.369 20 5 DDBDMN O=C(OCC1(c2ccccc2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842346152 702706601 /nfs/dbraw/zinc/70/66/01/702706601.db2.gz AWIDAPSZFPIDHC-ZIAGYGMSSA-N 0 1 305.330 1.943 20 5 DDBDMN Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844889374 703081235 /nfs/dbraw/zinc/08/12/35/703081235.db2.gz MMGOTIDHHHFORU-HZSPNIEDSA-N 0 1 314.345 1.485 20 5 DDBDMN C[C@H]([C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1F)[N+](=O)[O-] ZINC000845882389 703212075 /nfs/dbraw/zinc/21/20/75/703212075.db2.gz UBZPNRZBOQFVEI-QNKRVWAESA-N 0 1 312.253 1.740 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(O)(c2cccc3ccccc32)C1 ZINC000848258923 703533172 /nfs/dbraw/zinc/53/31/72/703533172.db2.gz GASIBAVRYPZRFK-UKRRQHHQSA-N 0 1 312.325 1.535 20 5 DDBDMN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000851429813 703801281 /nfs/dbraw/zinc/80/12/81/703801281.db2.gz WYHVHZPJOODNPD-GWOFURMSSA-N 0 1 314.338 1.641 20 5 DDBDMN COc1ccncc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819330076 704108673 /nfs/dbraw/zinc/10/86/73/704108673.db2.gz WTBUSNWOPIDWRR-CQSZACIVSA-N 0 1 303.318 1.822 20 5 DDBDMN C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C(=O)OC(C)(C)C ZINC000819681755 704158036 /nfs/dbraw/zinc/15/80/36/704158036.db2.gz OUCRGXYPUIYUKE-QCNOEVLYSA-N 0 1 312.366 1.620 20 5 DDBDMN COc1cnc(C=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)[nH]c1=O ZINC000821007234 704358494 /nfs/dbraw/zinc/35/84/94/704358494.db2.gz GECLFLOUFNSOJR-ONEGZZNKSA-N 0 1 319.273 1.984 20 5 DDBDMN COc1ccccc1-c1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC000856421744 704528347 /nfs/dbraw/zinc/52/83/47/704528347.db2.gz BDKILGPWYQMWKU-DGCLKSJQSA-N 0 1 317.301 1.632 20 5 DDBDMN COC1CC(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000859329805 704866694 /nfs/dbraw/zinc/86/66/94/704866694.db2.gz OVHAUSPTWKCWJJ-UHFFFAOYSA-N 0 1 306.366 1.537 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859888399 705030908 /nfs/dbraw/zinc/03/09/08/705030908.db2.gz CTVTWRWJGBRGTR-YSOBRWQISA-N 0 1 324.402 1.614 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(CCCF)CC2)cc1 ZINC000860008351 705068542 /nfs/dbraw/zinc/06/85/42/705068542.db2.gz VOBLQYPPLYUIPJ-OAHLLOKOSA-N 0 1 311.357 1.605 20 5 DDBDMN CC[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])N1CCCC1=O ZINC000837555938 707680089 /nfs/dbraw/zinc/68/00/89/707680089.db2.gz PIUDBJAWGXSPQK-LBPRGKRZSA-N 0 1 322.317 1.745 20 5 DDBDMN CCn1nnc(C)c1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837788281 707745741 /nfs/dbraw/zinc/74/57/41/707745741.db2.gz HTNVLVBJIAYFKS-UHFFFAOYSA-N 0 1 306.278 1.577 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C(C)C)N1CCCC1 ZINC000873359547 707823749 /nfs/dbraw/zinc/82/37/49/707823749.db2.gz DAWIKOCOQCYAJV-CQSZACIVSA-N 0 1 324.381 1.763 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000883079649 707920276 /nfs/dbraw/zinc/92/02/76/707920276.db2.gz ZBKVSNPIIUJTNU-LBPRGKRZSA-N 0 1 321.381 1.400 20 5 DDBDMN CCN1CC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000883170359 707946202 /nfs/dbraw/zinc/94/62/02/707946202.db2.gz RSHCSJCGJJDBDX-GFCCVEGCSA-N 0 1 322.365 1.497 20 5 DDBDMN O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4[C@H](O)CC[C@@H]4C3)nc2c1 ZINC000886579299 708780771 /nfs/dbraw/zinc/78/07/71/708780771.db2.gz IEIFVKSIBZPONF-SUZMYJTESA-N 0 1 303.318 1.939 20 5 DDBDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000886597441 708787973 /nfs/dbraw/zinc/78/79/73/708787973.db2.gz DUCHYKXUMZBTDQ-GFCCVEGCSA-N 0 1 322.365 1.498 20 5 DDBDMN Cc1ccc(CNC(=O)C2CN([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000899178301 709010978 /nfs/dbraw/zinc/01/09/78/709010978.db2.gz HNPBXOQXTQRFEQ-AWEZNQCLSA-N 0 1 319.361 1.240 20 5 DDBDMN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889783128 709633969 /nfs/dbraw/zinc/63/39/69/709633969.db2.gz VLWISJJKFTVIRV-HUUCEWRRSA-N 0 1 319.361 1.266 20 5 DDBDMN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000900807968 709769901 /nfs/dbraw/zinc/76/99/01/709769901.db2.gz XMSLQNVDPQEXSA-GWCFXTLKSA-N 0 1 324.356 1.098 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000910362569 709910006 /nfs/dbraw/zinc/91/00/06/709910006.db2.gz INOVCDKTOHCEMN-BXKDBHETSA-N 0 1 322.365 1.773 20 5 DDBDMN COc1cccc(C(=O)N[C@@]2(C)CN3CCC2CC3)c1[N+](=O)[O-] ZINC000892770158 710495681 /nfs/dbraw/zinc/49/56/81/710495681.db2.gz XGNJXVPERUOYKB-INIZCTEOSA-N 0 1 319.361 1.818 20 5 DDBDMN CN(CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)C1CCC1 ZINC000911475084 710813432 /nfs/dbraw/zinc/81/34/32/710813432.db2.gz QHMKKDRNGNSNMH-UHFFFAOYSA-N 0 1 313.304 1.974 20 5 DDBDMN CN1CC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000928553723 713223585 /nfs/dbraw/zinc/22/35/85/713223585.db2.gz DIXFWTYMYMAMMU-SECBINFHSA-N 0 1 315.732 1.750 20 5 DDBDMN COc1c(O)ccc(CN[C@H]2CO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895633332 711565166 /nfs/dbraw/zinc/56/51/66/711565166.db2.gz BSOFHJWVBIYWJB-YPMHNXCESA-N 0 1 308.334 1.966 20 5 DDBDMN COC(=O)/C=C\c1ccc(NC[C@H]2CCN2C)c([N+](=O)[O-])c1 ZINC000895777742 711604211 /nfs/dbraw/zinc/60/42/11/711604211.db2.gz WVGVSDPGOHAWBY-TXNVCOODSA-N 0 1 305.334 1.897 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000896564692 711753533 /nfs/dbraw/zinc/75/35/33/711753533.db2.gz RMMPEWVQQXOFSJ-IUODEOHRSA-N 0 1 320.393 1.267 20 5 DDBDMN CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000918395369 713541377 /nfs/dbraw/zinc/54/13/77/713541377.db2.gz PFGDKGPWFWTKKD-JTQLQIEISA-N 0 1 308.294 1.327 20 5 DDBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000930199346 713776530 /nfs/dbraw/zinc/77/65/30/713776530.db2.gz SGZAOYHVECLCON-NSHDSACASA-N 0 1 307.350 1.271 20 5 DDBDMN COC1(OC)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931639129 714146275 /nfs/dbraw/zinc/14/62/75/714146275.db2.gz HRXSNKGRYHOMBD-RISCZKNCSA-N 0 1 310.350 1.712 20 5 DDBDMN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000923269792 714291503 /nfs/dbraw/zinc/29/15/03/714291503.db2.gz UKQNUWFMQQYGLE-WDEREUQCSA-N 0 1 305.334 1.609 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H]2C2OCCO2)cc1 ZINC000933902373 714697328 /nfs/dbraw/zinc/69/73/28/714697328.db2.gz ZNTPYTDCSFMBHB-KBPBESRZSA-N 0 1 308.334 1.466 20 5 DDBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C2CCCC2)CC1 ZINC000956369654 715419984 /nfs/dbraw/zinc/41/99/84/715419984.db2.gz YEFORTWYKGSHLZ-CHWSQXEVSA-N 0 1 323.393 1.339 20 5 DDBDMN O=C(N[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1)c1cocn1 ZINC001021894017 733646735 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20 5 DDBDMN C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C1 ZINC000425065938 529822876 /nfs/dbraw/zinc/82/28/76/529822876.db2.gz MQPZMMVMQNDMLB-GXFFZTMASA-N 0 1 305.334 1.467 20 5 DDBDMN C[C@H](O)[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000181643939 199331834 /nfs/dbraw/zinc/33/18/34/199331834.db2.gz ANTPEZNQXOERDP-ZANVPECISA-N 0 1 318.333 1.847 20 5 DDBDMN COc1cc(NC[C@H](C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000266422727 282302476 /nfs/dbraw/zinc/30/24/76/282302476.db2.gz SHCFYVYDMORFAT-LBPRGKRZSA-N 0 1 308.382 1.651 20 5 DDBDMN COC(=O)c1cc(N2CCN(C)C[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000615494270 362307186 /nfs/dbraw/zinc/30/71/86/362307186.db2.gz LSTBMBXALMFBRN-NSHDSACASA-N 0 1 307.350 1.830 20 5 DDBDMN C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000458185197 530054760 /nfs/dbraw/zinc/05/47/60/530054760.db2.gz GVMDTZMVKWGGJV-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000272646604 210051053 /nfs/dbraw/zinc/05/10/53/210051053.db2.gz FQPRBUGBDDLOPZ-NXEZZACHSA-N 0 1 322.239 1.732 20 5 DDBDMN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000420443064 302384896 /nfs/dbraw/zinc/38/48/96/302384896.db2.gz ABKCXAYLASLLTK-SFYZADRCSA-N 0 1 305.381 1.062 20 5 DDBDMN O=C(NCc1ccc(N2CCCC2)nc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159754367 186139698 /nfs/dbraw/zinc/13/96/98/186139698.db2.gz RGARLDFJRFXTCF-UHFFFAOYSA-N 0 1 316.321 1.243 20 5 DDBDMN O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1[n-]ncc1[N+](=O)[O-] ZINC000159754367 186139700 /nfs/dbraw/zinc/13/97/00/186139700.db2.gz RGARLDFJRFXTCF-UHFFFAOYSA-N 0 1 316.321 1.243 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000172020355 198028138 /nfs/dbraw/zinc/02/81/38/198028138.db2.gz INJRRIKKVAEBCQ-NSHDSACASA-N 0 1 313.379 1.228 20 5 DDBDMN CCOC[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072977168 191261277 /nfs/dbraw/zinc/26/12/77/191261277.db2.gz VBUIJGMBZHQSDZ-GFCCVEGCSA-N 0 1 321.377 1.942 20 5 DDBDMN COc1ccc(OCCN2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000173579520 198229725 /nfs/dbraw/zinc/22/97/25/198229725.db2.gz HALJCFJWNZXNSV-UHFFFAOYSA-N 0 1 321.377 1.762 20 5 DDBDMN COC1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000079682213 353573126 /nfs/dbraw/zinc/57/31/26/353573126.db2.gz LMTSZHXALNTGCK-UHFFFAOYSA-N 0 1 321.377 1.744 20 5 DDBDMN COc1cc(N2CCN(C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000080983177 353642768 /nfs/dbraw/zinc/64/27/68/353642768.db2.gz MTKHCZIQDSJIAU-UHFFFAOYSA-N 0 1 309.366 1.496 20 5 DDBDMN Cc1c(CN(C)C[C@@H](O)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000083244979 353709155 /nfs/dbraw/zinc/70/91/55/353709155.db2.gz ZEZWHDJFHOANEX-OAHLLOKOSA-N 0 1 323.393 1.028 20 5 DDBDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092659925 353865734 /nfs/dbraw/zinc/86/57/34/353865734.db2.gz YPOPGVRUYUZNCI-LLVKDONJSA-N 0 1 307.350 1.778 20 5 DDBDMN O=C(NC[C@H]1CCCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000140502188 354135733 /nfs/dbraw/zinc/13/57/33/354135733.db2.gz ACALSIGYTALUPH-SNVBAGLBSA-N 0 1 304.306 1.770 20 5 DDBDMN C[N@H+]1CCO[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000590694449 355149593 /nfs/dbraw/zinc/14/95/93/355149593.db2.gz HUHDAXRSLLDTNV-GJZGRUSLSA-N 0 1 314.345 1.662 20 5 DDBDMN CN1CCO[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000590694449 355149595 /nfs/dbraw/zinc/14/95/95/355149595.db2.gz HUHDAXRSLLDTNV-GJZGRUSLSA-N 0 1 314.345 1.662 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n[nH]1 ZINC000591325309 355288862 /nfs/dbraw/zinc/28/88/62/355288862.db2.gz UMDLDYJZOOYPGU-UHFFFAOYSA-N 0 1 324.362 1.722 20 5 DDBDMN COc1ccc(OCC[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000593290418 355847119 /nfs/dbraw/zinc/84/71/19/355847119.db2.gz IIOPFAGADSTKKO-JQWIXIFHSA-N 0 1 324.333 1.920 20 5 DDBDMN O=C([O-])C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000594526850 356243417 /nfs/dbraw/zinc/24/34/17/356243417.db2.gz FIKKMEYLUBYUTO-UHFFFAOYSA-N 0 1 321.333 1.863 20 5 DDBDMN CC(C)OCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594743924 356304991 /nfs/dbraw/zinc/30/49/91/356304991.db2.gz ASPRGGRYBXSLJR-UHFFFAOYSA-N 0 1 303.340 1.083 20 5 DDBDMN CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594774079 356313985 /nfs/dbraw/zinc/31/39/85/356313985.db2.gz XNDQVKGLEMTNPH-GXSJLCMTSA-N 0 1 315.351 1.083 20 5 DDBDMN CC(C)(C)C(F)(F)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000595384241 356473592 /nfs/dbraw/zinc/47/35/92/356473592.db2.gz UXIORRCRJHGKDQ-UHFFFAOYSA-N 0 1 323.321 1.950 20 5 DDBDMN CN(Cc1cnc[nH]1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595569724 356557048 /nfs/dbraw/zinc/55/70/48/356557048.db2.gz XSBQMHCLGLTYTF-UHFFFAOYSA-N 0 1 303.322 1.702 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2noc(CN[C@@H](CO)C3CCC3)n2)c1 ZINC000595615588 356577491 /nfs/dbraw/zinc/57/74/91/356577491.db2.gz JDGKEDXLKUGPBB-ZDUSSCGKSA-N 0 1 318.333 1.895 20 5 DDBDMN CN(C(=O)CN1C[C@@H]2COC[C@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595756463 356638688 /nfs/dbraw/zinc/63/86/88/356638688.db2.gz GGPQELHCEMFEBK-WBMJQRKESA-N 0 1 319.361 1.526 20 5 DDBDMN C[C@]12COC[C@@H]1CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000595761679 356641852 /nfs/dbraw/zinc/64/18/52/356641852.db2.gz ZBHXHELHKJDLTN-WFASDCNBSA-N 0 1 305.334 1.162 20 5 DDBDMN CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595823080 356665030 /nfs/dbraw/zinc/66/50/30/356665030.db2.gz GJNBLXPVSGORRM-LBPRGKRZSA-N 0 1 322.365 1.488 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCCc3n[nH]cc3C2)c1[N+](=O)[O-] ZINC000596008015 356744512 /nfs/dbraw/zinc/74/45/12/356744512.db2.gz OGYPAFZAHQRYOL-UHFFFAOYSA-N 0 1 318.337 1.582 20 5 DDBDMN NC(=O)c1cc(N[C@H]2CCc3[nH]cnc3C2)ccc1[N+](=O)[O-] ZINC000596239199 356828813 /nfs/dbraw/zinc/82/88/13/356828813.db2.gz ZFOVDTBEGOXWNG-VIFPVBQESA-N 0 1 301.306 1.386 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597583936 357238660 /nfs/dbraw/zinc/23/86/60/357238660.db2.gz VWRZYBJXRPAELV-STQMWFEESA-N 0 1 323.324 1.559 20 5 DDBDMN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C2 ZINC000597710927 357297214 /nfs/dbraw/zinc/29/72/14/357297214.db2.gz QMLNHIPOYMJWBY-INIZCTEOSA-N 0 1 319.361 1.858 20 5 DDBDMN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000597714887 357298716 /nfs/dbraw/zinc/29/87/16/357298716.db2.gz KZXDADUKNYZZNT-MRXNPFEDSA-N 0 1 319.361 1.858 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000597611941 357253941 /nfs/dbraw/zinc/25/39/41/357253941.db2.gz VEHOODAUGVXDEC-SSDOTTSWSA-N 0 1 307.266 1.031 20 5 DDBDMN C[C@@H](O)[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598235101 357503032 /nfs/dbraw/zinc/50/30/32/357503032.db2.gz AKXSQKHKBVRIAH-PRHODGIISA-N 0 1 304.306 1.457 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000598173807 357482883 /nfs/dbraw/zinc/48/28/83/357482883.db2.gz YTZGXTFJYKPMMB-RNCFNFMXSA-N 0 1 319.317 1.041 20 5 DDBDMN CC(C)[C@@H](O)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000598345110 357547043 /nfs/dbraw/zinc/54/70/43/357547043.db2.gz BBXWUGWIIRQMDH-GXTWGEPZSA-N 0 1 318.333 1.806 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598401110 357565815 /nfs/dbraw/zinc/56/58/15/357565815.db2.gz DUKKXVLHBYESJM-GFCCVEGCSA-N 0 1 316.317 1.920 20 5 DDBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000598645107 357667315 /nfs/dbraw/zinc/66/73/15/357667315.db2.gz DOKXKCKRNLTKSL-SMDDNHRTSA-N 0 1 322.361 1.912 20 5 DDBDMN CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598740668 357711099 /nfs/dbraw/zinc/71/10/99/357711099.db2.gz VGXCKGJETJDVCH-UHFFFAOYSA-N 0 1 308.338 1.300 20 5 DDBDMN CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598740668 357711101 /nfs/dbraw/zinc/71/11/01/357711101.db2.gz VGXCKGJETJDVCH-UHFFFAOYSA-N 0 1 308.338 1.300 20 5 DDBDMN CCC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCC1 ZINC000599321154 357893145 /nfs/dbraw/zinc/89/31/45/357893145.db2.gz WXOIHLCPAZOVIX-UHFFFAOYSA-N 0 1 302.356 1.329 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCN2CCN(CCCF)CC2)cc1 ZINC000599669621 358017027 /nfs/dbraw/zinc/01/70/27/358017027.db2.gz MJJRLKKYFSHLQH-UHFFFAOYSA-N 0 1 311.357 1.951 20 5 DDBDMN CC(=O)NC[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000599704194 358033334 /nfs/dbraw/zinc/03/33/34/358033334.db2.gz QKGOGXSPNJXWMT-OAHLLOKOSA-N 0 1 321.377 1.964 20 5 DDBDMN CCOc1cc(C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000600674523 358279129 /nfs/dbraw/zinc/27/91/29/358279129.db2.gz GIQHIVHCTBUBTL-HNNXBMFYSA-N 0 1 324.333 1.669 20 5 DDBDMN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN(C)C1=O ZINC000601970794 358759216 /nfs/dbraw/zinc/75/92/16/358759216.db2.gz QAJUUATZNRONTQ-OAHLLOKOSA-N 0 1 321.377 1.916 20 5 DDBDMN C[C@@H](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)[S@@](C)=O ZINC000602595361 359060968 /nfs/dbraw/zinc/06/09/68/359060968.db2.gz WMFUEXPDRHUGFH-JLTPVHFHSA-N 0 1 311.363 1.983 20 5 DDBDMN CCC[C@@H](CN1CCN(c2ncccc2[N+](=O)[O-])CC1)OC ZINC000602687317 359125876 /nfs/dbraw/zinc/12/58/76/359125876.db2.gz KPKYTVPOMKRUKI-ZDUSSCGKSA-N 0 1 308.382 1.927 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000602837806 359227372 /nfs/dbraw/zinc/22/73/72/359227372.db2.gz AAEUEOCDPILXJZ-GXSJLCMTSA-N 0 1 322.287 1.345 20 5 DDBDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000602850526 359238218 /nfs/dbraw/zinc/23/82/18/359238218.db2.gz WVLNPBYTRTTXIX-OUAUKWLOSA-N 0 1 307.350 1.740 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCn2cc(CNC3CC3)nn2)cc1 ZINC000603199459 359475126 /nfs/dbraw/zinc/47/51/26/359475126.db2.gz BCMDBDIKNMIUAS-UHFFFAOYSA-N 0 1 303.322 1.517 20 5 DDBDMN Cn1nc(CNCCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC000610890168 360564504 /nfs/dbraw/zinc/56/45/04/360564504.db2.gz LWTMAZDBKCWDBR-UHFFFAOYSA-N 0 1 300.322 1.468 20 5 DDBDMN O=C(NCc1c[nH]nn1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610964978 360585477 /nfs/dbraw/zinc/58/54/77/360585477.db2.gz KQOFZLRHJWEIGZ-UHFFFAOYSA-N 0 1 315.211 1.662 20 5 DDBDMN COC(=O)[C@H](O)C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092014727 193141670 /nfs/dbraw/zinc/14/16/70/193141670.db2.gz VEFARGSKHKMQLX-OAHLLOKOSA-N 0 1 322.361 1.649 20 5 DDBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cn[nH]c1 ZINC000275235287 212215991 /nfs/dbraw/zinc/21/59/91/212215991.db2.gz WHNMAUFCWQRJDO-SNVBAGLBSA-N 0 1 315.333 1.558 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)CC2(O)CCCCCC2)c1[N+](=O)[O-] ZINC000275226311 212208482 /nfs/dbraw/zinc/20/84/82/212208482.db2.gz ICETYTGOVODWLJ-UHFFFAOYSA-N 0 1 310.354 1.784 20 5 DDBDMN CCC[C@]1(C)C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330445139 284046193 /nfs/dbraw/zinc/04/61/93/284046193.db2.gz CUGHHOOYDSTFFQ-OAHLLOKOSA-N 0 1 307.350 1.791 20 5 DDBDMN CN(CCCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000349917897 284105624 /nfs/dbraw/zinc/10/56/24/284105624.db2.gz BXCZAZSWPBNAOL-AWEZNQCLSA-N 0 1 307.350 1.404 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCCS1(=O)=O ZINC000350361787 284186444 /nfs/dbraw/zinc/18/64/44/284186444.db2.gz WGSHWGTVZZXGPY-AWEZNQCLSA-N 0 1 312.391 1.960 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000266180495 205165024 /nfs/dbraw/zinc/16/50/24/205165024.db2.gz LAAQGACYZNMLED-IUCAKERBSA-N 0 1 304.306 1.626 20 5 DDBDMN O=C(NC[C@H]1CCC[C@@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000266273518 205230063 /nfs/dbraw/zinc/23/00/63/205230063.db2.gz NLWBJRIQNZZQGD-PELKAZGASA-N 0 1 304.306 1.362 20 5 DDBDMN C[C@@H](CO)[C@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000274007853 211264955 /nfs/dbraw/zinc/26/49/55/211264955.db2.gz LLONWXSQNXNPIM-UWVGGRQHSA-N 0 1 306.322 1.751 20 5 DDBDMN C[C@@H](N[C@H](C)c1cn[nH]c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273928446 211183838 /nfs/dbraw/zinc/18/38/38/211183838.db2.gz CCHSIIIGWXORJL-NXEZZACHSA-N 0 1 303.322 1.996 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000285393361 218412934 /nfs/dbraw/zinc/41/29/34/218412934.db2.gz XGDODKWQKXMXBR-ZIAGYGMSSA-N 0 1 319.361 1.448 20 5 DDBDMN 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CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000153576206 407854127 /nfs/dbraw/zinc/85/41/27/407854127.db2.gz FVEIWOSAOFNYIL-UHFFFAOYSA-N 0 1 303.362 1.964 20 5 DDBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000154472445 408042668 /nfs/dbraw/zinc/04/26/68/408042668.db2.gz NVVMKYAMGGBPLV-ZNMIVQPWSA-N 0 1 324.402 1.835 20 5 DDBDMN C[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189358517 408007068 /nfs/dbraw/zinc/00/70/68/408007068.db2.gz GCGRBEGOTDPIHD-LLVKDONJSA-N 0 1 313.785 1.747 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000263750884 408238691 /nfs/dbraw/zinc/23/86/91/408238691.db2.gz JWWIIWFFOTUEEV-ZDUSSCGKSA-N 0 1 320.393 1.269 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268828834 408210236 /nfs/dbraw/zinc/21/02/36/408210236.db2.gz ZXMPGZLKHFQIDH-GFCCVEGCSA-N 0 1 322.346 1.674 20 5 DDBDMN C[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nnc[nH]1 ZINC000182938207 408288566 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COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000195132086 408813258 /nfs/dbraw/zinc/81/32/58/408813258.db2.gz KJKPHWAYMSSCGP-CYBMUJFWSA-N 0 1 322.365 1.497 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000163333474 408774786 /nfs/dbraw/zinc/77/47/86/408774786.db2.gz VXLOGKCILMXNPI-UHFFFAOYSA-N 0 1 323.397 1.522 20 5 DDBDMN Cc1cc(C(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000285872571 408881170 /nfs/dbraw/zinc/88/11/70/408881170.db2.gz RLCNJFFXPORUHD-HUUCEWRRSA-N 0 1 319.361 1.448 20 5 DDBDMN CCN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C1 ZINC000286392612 408977043 /nfs/dbraw/zinc/97/70/43/408977043.db2.gz HAZWBTDMWYBFJD-LBPRGKRZSA-N 0 1 321.377 1.987 20 5 DDBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1nc[nH]n1 ZINC000277891884 409030360 /nfs/dbraw/zinc/03/03/60/409030360.db2.gz DJOBWEKQSNIJKA-UHFFFAOYSA-N 0 1 309.713 1.647 20 5 DDBDMN C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)C1 ZINC000294174902 409254100 /nfs/dbraw/zinc/25/41/00/409254100.db2.gz OTOLGQLXJJZLFQ-INIZCTEOSA-N 0 1 319.361 1.858 20 5 DDBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294689113 409296838 /nfs/dbraw/zinc/29/68/38/409296838.db2.gz VMGIEEAJBPHGJP-UHFFFAOYSA-N 0 1 317.267 2.000 20 5 DDBDMN CCc1nc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000295312935 409428165 /nfs/dbraw/zinc/42/81/65/409428165.db2.gz KMDBZAVRAYZENQ-UHFFFAOYSA-N 0 1 318.337 1.394 20 5 DDBDMN COc1cc(CN2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1F ZINC000280742454 409434070 /nfs/dbraw/zinc/43/40/70/409434070.db2.gz MNIBEGQIPAMNMA-CQSZACIVSA-N 0 1 311.313 1.440 20 5 DDBDMN CC(C)(CO)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000295334269 409440121 /nfs/dbraw/zinc/44/01/21/409440121.db2.gz QNHUZEPNVQCCIQ-UHFFFAOYSA-N 0 1 320.342 1.421 20 5 DDBDMN C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295336943 409441032 /nfs/dbraw/zinc/44/10/32/409441032.db2.gz MJQDJEDTFBHFBF-SNVBAGLBSA-N 0 1 320.349 1.252 20 5 DDBDMN C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295336943 409441037 /nfs/dbraw/zinc/44/10/37/409441037.db2.gz MJQDJEDTFBHFBF-SNVBAGLBSA-N 0 1 320.349 1.252 20 5 DDBDMN Cc1nc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000285450470 409449260 /nfs/dbraw/zinc/44/92/60/409449260.db2.gz SONSSLMMBXTPBU-ZETCQYMHSA-N 0 1 311.323 1.061 20 5 DDBDMN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1n[nH]c(C2CC2)n1 ZINC000295453354 409487579 /nfs/dbraw/zinc/48/75/79/409487579.db2.gz OUIJXIUEQQDEES-UHFFFAOYSA-N 0 1 315.333 1.839 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)CC2CCOCC2)c1[N+](=O)[O-] ZINC000348868106 409563458 /nfs/dbraw/zinc/56/34/58/409563458.db2.gz WIELRUVJGUCIIJ-UHFFFAOYSA-N 0 1 310.354 1.940 20 5 DDBDMN CN(CCCCO)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000296382452 409522028 /nfs/dbraw/zinc/52/20/28/409522028.db2.gz SBXXBJNYNOCNMJ-UHFFFAOYSA-N 0 1 318.333 1.829 20 5 DDBDMN COc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000331560302 409637866 /nfs/dbraw/zinc/63/78/66/409637866.db2.gz SXGOMCPNRJYPJA-JTQLQIEISA-N 0 1 305.334 1.570 20 5 DDBDMN COCCOC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296851643 409665425 /nfs/dbraw/zinc/66/54/25/409665425.db2.gz UJZQQMCCVXTDPZ-MRXNPFEDSA-N 0 1 324.377 1.583 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356998672 409779487 /nfs/dbraw/zinc/77/94/87/409779487.db2.gz YZZCHAJJWCLSIW-UHFFFAOYSA-N 0 1 311.261 1.922 20 5 DDBDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000357052082 409820904 /nfs/dbraw/zinc/82/09/04/409820904.db2.gz QXMANWCXANSZMM-WDEREUQCSA-N 0 1 307.354 1.027 20 5 DDBDMN COC(=O)[C@H](C)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000298688444 410349338 /nfs/dbraw/zinc/34/93/38/410349338.db2.gz AOOIBJJFZCCCIH-SNVBAGLBSA-N 0 1 324.333 1.702 20 5 DDBDMN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343275125 410300922 /nfs/dbraw/zinc/30/09/22/410300922.db2.gz JUVPPVQTVMSVGY-RISCZKNCSA-N 0 1 316.317 1.826 20 5 DDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCO)[C@@H](C)C1 ZINC000347387461 410515964 /nfs/dbraw/zinc/51/59/64/410515964.db2.gz ZWBCDWJGGLZYMM-LTBFUDJGSA-N 0 1 319.405 1.997 20 5 DDBDMN COc1ccc(CNc2ncnc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000339951027 410573601 /nfs/dbraw/zinc/57/36/01/410573601.db2.gz NFLZNQYLXCTNNQ-UHFFFAOYSA-N 0 1 300.278 1.833 20 5 DDBDMN Cc1nn(C)c(N2CCC(N3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301306380 410696441 /nfs/dbraw/zinc/69/64/41/410696441.db2.gz YLVZKVVEICRMFB-LLVKDONJSA-N 0 1 323.397 1.326 20 5 DDBDMN Cn1cc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000343871710 410767879 /nfs/dbraw/zinc/76/78/79/410767879.db2.gz STHJCFSOYVKXEK-NSHDSACASA-N 0 1 306.326 1.569 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC3(C2)CCOCC3)c1 ZINC000353033084 410750444 /nfs/dbraw/zinc/75/04/44/410750444.db2.gz XSPJXHSSAUCBOJ-AWEZNQCLSA-N 0 1 322.361 1.447 20 5 DDBDMN Cc1cc(C(=O)N=c2ncn(C(C)(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000344072748 410937939 /nfs/dbraw/zinc/93/79/39/410937939.db2.gz LTYDTIVKAAIZLD-UHFFFAOYSA-N 0 1 303.322 2.502 20 5 DDBDMN C[C@H]1C[C@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000344121280 410970785 /nfs/dbraw/zinc/97/07/85/410970785.db2.gz DWVZTYJUKVMUTE-WDEREUQCSA-N 0 1 307.350 1.287 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356399672 411009469 /nfs/dbraw/zinc/00/94/69/411009469.db2.gz YMXCIWFECXCOBX-NEPJUHHUSA-N 0 1 305.334 1.657 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1nnc[nH]1 ZINC000128975160 196009109 /nfs/dbraw/zinc/00/91/09/196009109.db2.gz QEJDTAKSMBUMNP-QMMMGPOBSA-N 0 1 311.323 1.061 20 5 DDBDMN O=C(NC1CC(OCc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000373346295 418422467 /nfs/dbraw/zinc/42/24/67/418422467.db2.gz QDMPBWJWHSSXAD-UHFFFAOYSA-N 0 1 316.317 1.796 20 5 DDBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374459186 418531728 /nfs/dbraw/zinc/53/17/28/418531728.db2.gz BVLJHGQPOMNGQT-GFCCVEGCSA-N 0 1 301.306 1.829 20 5 DDBDMN CON(C)C(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000291369132 222346196 /nfs/dbraw/zinc/34/61/96/222346196.db2.gz ZEGNMNDRDZCPKY-UHFFFAOYSA-N 0 1 307.350 1.827 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](CCN(C)C)CC1 ZINC000361831913 418715859 /nfs/dbraw/zinc/71/58/59/418715859.db2.gz XQNMYCRHOCVJFH-UHFFFAOYSA-N 0 1 306.410 1.977 20 5 DDBDMN CCO[C@H]1COCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000362016338 418738878 /nfs/dbraw/zinc/73/88/78/418738878.db2.gz AFMVMABLWNPMAH-JSGCOSHPSA-N 0 1 323.349 1.317 20 5 DDBDMN C[N@H+]1CC[C@@]2(CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])C2)C1 ZINC000390625993 418755324 /nfs/dbraw/zinc/75/53/24/418755324.db2.gz PLTSPHFWIDDNOV-CQSZACIVSA-N 0 1 306.322 1.220 20 5 DDBDMN Cc1cccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000371280120 418774240 /nfs/dbraw/zinc/77/42/40/418774240.db2.gz NKZCDCCTXXITAV-SNVBAGLBSA-N 0 1 300.318 1.914 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000371362343 418784401 /nfs/dbraw/zinc/78/44/01/418784401.db2.gz VQECPOMLSULXGY-JTNHKYCSSA-N 0 1 307.325 1.576 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371602165 418803728 /nfs/dbraw/zinc/80/37/28/418803728.db2.gz OOFDBGWBQQYXJR-MNOVXSKESA-N 0 1 305.334 1.657 20 5 DDBDMN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000364818353 418812427 /nfs/dbraw/zinc/81/24/27/418812427.db2.gz YXLKRQNQTOIMAQ-LLVKDONJSA-N 0 1 305.334 1.611 20 5 DDBDMN O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000364818353 418812429 /nfs/dbraw/zinc/81/24/29/418812429.db2.gz YXLKRQNQTOIMAQ-LLVKDONJSA-N 0 1 305.334 1.611 20 5 DDBDMN O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000372314499 418854818 /nfs/dbraw/zinc/85/48/18/418854818.db2.gz DKAMCVTZWHVIHR-GFCCVEGCSA-N 0 1 320.349 1.396 20 5 DDBDMN Cc1nc([C@H](C)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000411371932 418898011 /nfs/dbraw/zinc/89/80/11/418898011.db2.gz BFSSIRFHLNPMFR-GXSJLCMTSA-N 0 1 317.353 1.664 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Oc2ncccc2F)C1 ZINC000365970343 418926673 /nfs/dbraw/zinc/92/66/73/418926673.db2.gz QVYIWBHPWVVDAT-HOSYDEDBSA-N 0 1 309.297 1.256 20 5 DDBDMN COc1cc(CN2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974226 419375770 /nfs/dbraw/zinc/37/57/70/419375770.db2.gz LGIUCRBQQWZHIJ-MNOVXSKESA-N 0 1 310.350 1.815 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000428592116 419899360 /nfs/dbraw/zinc/89/93/60/419899360.db2.gz DAVCKBCQULXFHV-NXEZZACHSA-N 0 1 310.354 1.817 20 5 DDBDMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H]1C ZINC000430231957 420091870 /nfs/dbraw/zinc/09/18/70/420091870.db2.gz DNRHJSRXBUYVDY-MFKMUULPSA-N 0 1 308.334 1.987 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425550237 420415970 /nfs/dbraw/zinc/41/59/70/420415970.db2.gz OTZBVBMXRYQWNI-JTQLQIEISA-N 0 1 303.322 1.711 20 5 DDBDMN CC(C)OC(=O)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456639444 420520515 /nfs/dbraw/zinc/52/05/15/420520515.db2.gz RWFGKARBQCDOSL-QMMMGPOBSA-N 0 1 320.305 1.541 20 5 DDBDMN C[C@H]1CN(CCO)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000450952766 420569231 /nfs/dbraw/zinc/56/92/31/420569231.db2.gz IZHGPEZCRNHPNK-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN CCOc1cc(N2CCN(CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450958718 420571464 /nfs/dbraw/zinc/57/14/64/420571464.db2.gz WPLQARPVOZHQEF-GFCCVEGCSA-N 0 1 309.366 1.496 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](O)(C(F)F)C2)c1[N+](=O)[O-] ZINC000452694384 420646035 /nfs/dbraw/zinc/64/60/35/420646035.db2.gz PZFFULQYNIEJMW-LBPRGKRZSA-N 0 1 318.280 1.283 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)[C@H]3CCCO3)nc2c1 ZINC000447913608 420816208 /nfs/dbraw/zinc/81/62/08/420816208.db2.gz MXEUZICKIPGJQL-QWHCGFSZSA-N 0 1 306.322 1.101 20 5 DDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1n[nH]c(C2CC2)n1 ZINC000493391444 420836031 /nfs/dbraw/zinc/83/60/31/420836031.db2.gz PVWVHDVXZSYVJG-BAQGIRSFSA-N 0 1 313.317 1.920 20 5 DDBDMN CNc1nc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1[N+](=O)[O-] ZINC000455998233 421086563 /nfs/dbraw/zinc/08/65/63/421086563.db2.gz VZGFAAUQDCQKTN-QMMMGPOBSA-N 0 1 318.337 1.424 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCSC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000456191977 421116056 /nfs/dbraw/zinc/11/60/56/421116056.db2.gz XIXPZDWNTUVGAL-SNVBAGLBSA-N 0 1 310.379 1.848 20 5 DDBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000489217576 421140351 /nfs/dbraw/zinc/14/03/51/421140351.db2.gz KYXLNLRBZUEDNR-RKDXNWHRSA-N 0 1 321.341 1.300 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCN(CC)C[C@H]2CC)c1[N+](=O)[O-] ZINC000456335168 421144382 /nfs/dbraw/zinc/14/43/82/421144382.db2.gz AFXTYCWTOUAARU-SNVBAGLBSA-N 0 1 309.370 1.437 20 5 DDBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000515655759 421513458 /nfs/dbraw/zinc/51/34/58/421513458.db2.gz OWORJAWLQZPMCL-LBPRGKRZSA-N 0 1 323.349 1.552 20 5 DDBDMN Cc1cc(C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n[nH]1 ZINC000549192533 421496422 /nfs/dbraw/zinc/49/64/22/421496422.db2.gz VYUNUNHQSFPCCI-UHFFFAOYSA-N 0 1 304.310 1.369 20 5 DDBDMN COC(=O)CC1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000516655090 421560145 /nfs/dbraw/zinc/56/01/45/421560145.db2.gz XSOKLOMMTJIRDQ-UHFFFAOYSA-N 0 1 304.306 1.656 20 5 DDBDMN CCc1n[nH]c(C(=O)N2[C@@H](C)CN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697417 422003433 /nfs/dbraw/zinc/00/34/33/422003433.db2.gz SWTQUTIBHGJOJS-UWVGGRQHSA-N 0 1 309.370 1.435 20 5 DDBDMN CCc1[nH]nc(C(=O)N2[C@@H](C)CN(CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000573697417 422003438 /nfs/dbraw/zinc/00/34/38/422003438.db2.gz SWTQUTIBHGJOJS-UWVGGRQHSA-N 0 1 309.370 1.435 20 5 DDBDMN C[N@H+]1CC[C@H]2[C@H](CCCN2c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000578195874 422518588 /nfs/dbraw/zinc/51/85/88/422518588.db2.gz OZPVIHHSEGKYSR-PWSUYJOCSA-N 0 1 320.349 1.609 20 5 DDBDMN O=C(NCc1cc(F)cc2c1OCOC2)c1n[nH]cc1[N+](=O)[O-] ZINC000179162626 263355008 /nfs/dbraw/zinc/35/50/08/263355008.db2.gz SJMURGUZLIRDFS-UHFFFAOYSA-N 0 1 322.252 1.254 20 5 DDBDMN O=c1[nH]ccc2c1CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339124518 271046689 /nfs/dbraw/zinc/04/66/89/271046689.db2.gz MIHHOSVMYAGNBH-UHFFFAOYSA-N 0 1 301.302 1.959 20 5 DDBDMN CC[C@@H](O)CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343635249 271821232 /nfs/dbraw/zinc/82/12/32/271821232.db2.gz PFZMIMMCVKXAJU-SNVBAGLBSA-N 0 1 306.322 1.752 20 5 DDBDMN CCCc1n[nH]c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000345282723 272208381 /nfs/dbraw/zinc/20/83/81/272208381.db2.gz GQZPHLHXPBGOES-ZJUUUORDSA-N 0 1 309.370 1.483 20 5 DDBDMN Cc1n[nH]c(C(=O)NCc2nc3cccc(C)c3[nH]2)c1[N+](=O)[O-] ZINC000345936586 272369957 /nfs/dbraw/zinc/36/99/57/272369957.db2.gz OAVAJPWXABLBFH-UHFFFAOYSA-N 0 1 314.305 1.741 20 5 DDBDMN COCCN1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000131934528 274034757 /nfs/dbraw/zinc/03/47/57/274034757.db2.gz YJLDOBKMMRLHAQ-TXEJJXNPSA-N 0 1 308.382 1.844 20 5 DDBDMN CC[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])OC ZINC000289410580 287857526 /nfs/dbraw/zinc/85/75/26/287857526.db2.gz BAJYXDUYANWPAH-MRVPVSSYSA-N 0 1 306.315 1.437 20 5 DDBDMN CCN1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C)C2)CC1 ZINC000264454063 276202103 /nfs/dbraw/zinc/20/21/03/276202103.db2.gz IVJRKKRCAQMWEK-AWEZNQCLSA-N 0 1 319.409 1.514 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)NC)C1 ZINC000175221364 276376601 /nfs/dbraw/zinc/37/66/01/276376601.db2.gz CZJCLYVWZDLIJD-GFCCVEGCSA-N 0 1 321.377 1.952 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[S@](=O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000434239227 278001016 /nfs/dbraw/zinc/00/10/16/278001016.db2.gz ICTLNPWIFHGGCZ-PPRQPISWSA-N 0 1 314.367 1.034 20 5 DDBDMN CC(C)C[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000269699266 279173735 /nfs/dbraw/zinc/17/37/35/279173735.db2.gz KQEFOFDWLCMYPP-SECBINFHSA-N 0 1 320.342 1.419 20 5 DDBDMN O=[N+]([O-])c1cc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cs1 ZINC000363707842 300300611 /nfs/dbraw/zinc/30/06/11/300300611.db2.gz BAKPSZYKDNBLRN-QWHCGFSZSA-N 0 1 311.407 1.687 20 5 DDBDMN NC(=O)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000368578521 301056647 /nfs/dbraw/zinc/05/66/47/301056647.db2.gz NXAYONWCSCISKM-JTQLQIEISA-N 0 1 321.333 1.159 20 5 DDBDMN COc1ccc(CN[C@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000370288653 301310444 /nfs/dbraw/zinc/31/04/44/301310444.db2.gz OMQMPQYJGMOWTK-STQMWFEESA-N 0 1 319.361 1.846 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC000370353546 301323393 /nfs/dbraw/zinc/32/33/93/301323393.db2.gz PBTONKRIFLJBFC-QMMMGPOBSA-N 0 1 319.325 1.018 20 5 DDBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CS1 ZINC000397893608 302356705 /nfs/dbraw/zinc/35/67/05/302356705.db2.gz PXJRSLBVJVDOSW-SFYZADRCSA-N 0 1 320.367 1.906 20 5 DDBDMN C[C@H](N[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000400235857 302368699 /nfs/dbraw/zinc/36/86/99/302368699.db2.gz UVTZACQIVOIASB-JQWIXIFHSA-N 0 1 313.379 1.279 20 5 DDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000530893527 303218952 /nfs/dbraw/zinc/21/89/52/303218952.db2.gz MQBSQAMZWVJCMK-UHFFFAOYSA-N 0 1 317.280 1.879 20 5 DDBDMN C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000364804074 307051735 /nfs/dbraw/zinc/05/17/35/307051735.db2.gz GAVRDQIHIBYRTN-WDEREUQCSA-N 0 1 305.334 1.609 20 5 DDBDMN CCc1nn(C)c(N2CCC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000364911446 307053795 /nfs/dbraw/zinc/05/37/95/307053795.db2.gz XYHMVPYCSHWNCA-VIFPVBQESA-N 0 1 305.342 1.393 20 5 DDBDMN O=C(NC1CCN(c2cccc(F)c2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000369562326 307124378 /nfs/dbraw/zinc/12/43/78/307124378.db2.gz ZKIDKIXJJUEKGZ-UONOGXRCSA-N 0 1 307.325 1.576 20 5 DDBDMN Cc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000371273422 307146216 /nfs/dbraw/zinc/14/62/16/307146216.db2.gz NTCTZDHGXROGKL-LLVKDONJSA-N 0 1 300.318 1.914 20 5 DDBDMN O=C(NCc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000377168941 307265194 /nfs/dbraw/zinc/26/51/94/307265194.db2.gz SYHUTGZRRNQSPZ-UHFFFAOYSA-N 0 1 316.317 1.763 20 5 DDBDMN CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000377385677 307268834 /nfs/dbraw/zinc/26/88/34/307268834.db2.gz HSOCRSGNKZTBJI-UPJWGTAASA-N 0 1 306.366 1.835 20 5 DDBDMN C[C@H]1CC[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)O1 ZINC000530443444 307597568 /nfs/dbraw/zinc/59/75/68/307597568.db2.gz DYRKYTWFBMHKPS-GXTWGEPZSA-N 0 1 306.366 1.679 20 5 DDBDMN C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417992 308313361 /nfs/dbraw/zinc/31/33/61/308313361.db2.gz JABILEHYQLUWAJ-WFASDCNBSA-N 0 1 320.393 1.060 20 5 DDBDMN C[C@H](C(=O)NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000576417992 308313363 /nfs/dbraw/zinc/31/33/63/308313363.db2.gz JABILEHYQLUWAJ-WFASDCNBSA-N 0 1 320.393 1.060 20 5 DDBDMN Cc1csc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000576862756 308344995 /nfs/dbraw/zinc/34/49/95/308344995.db2.gz BWJFLNXLJXVPBQ-GFCCVEGCSA-N 0 1 323.374 1.889 20 5 DDBDMN CC[C@H]1CN(C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582961068 337218956 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DDBDMN CC(C)Oc1nc(N[C@H]2CCc3[nH]cnc3C2)ccc1[N+](=O)[O-] ZINC000580725714 422951197 /nfs/dbraw/zinc/95/11/97/422951197.db2.gz UJYYCSZYGFKGTN-JTQLQIEISA-N 0 1 317.349 2.470 20 5 DDBDMN O=C(NC[C@@H](CO)c1cccnc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360456967 418439836 /nfs/dbraw/zinc/43/98/36/418439836.db2.gz CMOQHDORVMCSLL-LBPRGKRZSA-N 0 1 317.301 1.201 20 5 DDBDMN Nc1nc(Nc2cnn(-c3ncccc3F)c2)ncc1[N+](=O)[O-] ZINC000366953078 418543380 /nfs/dbraw/zinc/54/33/80/418543380.db2.gz CZNWUVMPEVANID-UHFFFAOYSA-N 0 1 316.256 1.430 20 5 DDBDMN [NH3+]C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000194773333 222182627 /nfs/dbraw/zinc/18/26/27/222182627.db2.gz TVSIHBJJTOKEPJ-VIFPVBQESA-N 0 1 319.408 1.452 20 5 DDBDMN Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375102108 418605418 /nfs/dbraw/zinc/60/54/18/418605418.db2.gz SAUZYTYIJFLUSV-NSHDSACASA-N 0 1 320.349 1.314 20 5 DDBDMN C[C@H](NCc1ccc(C(N)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000361923461 418725934 /nfs/dbraw/zinc/72/59/34/418725934.db2.gz DMIQVCQRRMXRHQ-JTQLQIEISA-N 0 1 300.318 1.940 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000372051256 418833333 /nfs/dbraw/zinc/83/33/33/418833333.db2.gz FNMPJWZFQCEZPT-UHFFFAOYSA-N 0 1 308.338 1.666 20 5 DDBDMN Cc1nc([C@@H]2CCCCN2Cc2c([N+](=O)[O-])ncn2C)n[nH]1 ZINC000372137414 418838081 /nfs/dbraw/zinc/83/80/81/418838081.db2.gz UGUSOJAPVSVCGA-JTQLQIEISA-N 0 1 305.342 1.482 20 5 DDBDMN C[NH+](C)C1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000422011625 419805720 /nfs/dbraw/zinc/80/57/20/419805720.db2.gz VFJZLEBMZCQZIK-UHFFFAOYSA-N 0 1 308.338 1.298 20 5 DDBDMN COc1ccc(NC(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000432431803 229103602 /nfs/dbraw/zinc/10/36/02/229103602.db2.gz DWGXSXHPNQERFM-UHFFFAOYSA-N 0 1 320.349 1.987 20 5 DDBDMN CCC[C@H]([NH2+]C[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423488442 420060085 /nfs/dbraw/zinc/06/00/85/420060085.db2.gz YYRCHESTAFPLAW-HOTGVXAUSA-N 0 1 306.410 1.929 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC(OC(F)F)C2)c1[N+](=O)[O-] ZINC000437553259 420410000 /nfs/dbraw/zinc/41/00/00/420410000.db2.gz DADQGWXUIRPBRG-UHFFFAOYSA-N 0 1 304.253 1.505 20 5 DDBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@H](C)O)CC1 ZINC000302405969 230234564 /nfs/dbraw/zinc/23/45/64/230234564.db2.gz KRKJZHSPNNCZOV-LBPRGKRZSA-N 0 1 309.366 1.244 20 5 DDBDMN Cn1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447580582 420783626 /nfs/dbraw/zinc/78/36/26/420783626.db2.gz PBYWFKWJUHFUHI-STQMWFEESA-N 0 1 304.354 1.798 20 5 DDBDMN C[C@H](N[C@@H](CO)[C@H]1CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447912276 420815971 /nfs/dbraw/zinc/81/59/71/420815971.db2.gz JSMLNMWIQIEPIU-LEWSCRJBSA-N 0 1 323.349 1.051 20 5 DDBDMN CCOC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449355951 420996448 /nfs/dbraw/zinc/99/64/48/420996448.db2.gz ALSZDKBBTFKIBP-ZDUSSCGKSA-N 0 1 320.345 1.606 20 5 DDBDMN C[C@H]1[C@@H](CO)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725758 421108086 /nfs/dbraw/zinc/10/80/86/421108086.db2.gz BDKBKHIBIKDFHE-NWDGAFQWSA-N 0 1 307.350 1.260 20 5 DDBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000562760930 421410903 /nfs/dbraw/zinc/41/09/03/421410903.db2.gz FHCWZUNUDJIWQN-RNFRBKRXSA-N 0 1 307.314 1.441 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2Cc3cccnc3C2)c1[N+](=O)[O-] ZINC000549732315 421506428 /nfs/dbraw/zinc/50/64/28/421506428.db2.gz CEXOHMBWPMANRR-UHFFFAOYSA-N 0 1 301.306 1.821 20 5 DDBDMN COC(=O)c1cc(C)nc(NCc2cc(C)[nH]n2)c1[N+](=O)[O-] ZINC000587978281 422313601 /nfs/dbraw/zinc/31/36/01/422313601.db2.gz HVLSKMAEWKMKLD-UHFFFAOYSA-N 0 1 305.294 1.728 20 5 DDBDMN CC1=CCN(CCNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342850685 271542638 /nfs/dbraw/zinc/54/26/38/271542638.db2.gz OYJMGFQDOAVMGG-UHFFFAOYSA-N 0 1 304.350 1.758 20 5 DDBDMN CC(C)(C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cnc[nH]1 ZINC000345611490 272291488 /nfs/dbraw/zinc/29/14/88/272291488.db2.gz NHNAGYQMAFRIPH-UHFFFAOYSA-N 0 1 317.349 1.824 20 5 DDBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2[nH]nnc2C1 ZINC000346027527 272392797 /nfs/dbraw/zinc/39/27/97/272392797.db2.gz BMXOZOADYLRCFG-UHFFFAOYSA-N 0 1 313.273 1.658 20 5 DDBDMN CN1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000286001992 277152685 /nfs/dbraw/zinc/15/26/85/277152685.db2.gz ZAJJBUZCMFAFCU-KBPBESRZSA-N 0 1 305.334 1.140 20 5 DDBDMN CC(C)[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000487048853 280016356 /nfs/dbraw/zinc/01/63/56/280016356.db2.gz QYMHPALAQVKSDE-AWEZNQCLSA-N 0 1 306.366 1.470 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)C2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000299522836 280187167 /nfs/dbraw/zinc/18/71/67/280187167.db2.gz JRGYEIRIQQRRBX-UHFFFAOYSA-N 0 1 300.318 1.866 20 5 DDBDMN CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000128326866 281307460 /nfs/dbraw/zinc/30/74/60/281307460.db2.gz XNKZMBPLNFXASI-NSHDSACASA-N 0 1 309.370 1.702 20 5 DDBDMN O=C(CC1CCCCC1)NCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130267756 281373835 /nfs/dbraw/zinc/37/38/35/281373835.db2.gz MQBXEDZTYYXYGX-UHFFFAOYSA-N 0 1 323.353 1.134 20 5 DDBDMN CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000362107728 300007365 /nfs/dbraw/zinc/00/73/65/300007365.db2.gz XAUQQGVWKIVYDM-HNNXBMFYSA-N 0 1 310.350 1.777 20 5 DDBDMN COc1cccc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000363129949 300217049 /nfs/dbraw/zinc/21/70/49/300217049.db2.gz OGNIIJIWKURFFV-GJZGRUSLSA-N 0 1 302.330 1.976 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000363460892 300271221 /nfs/dbraw/zinc/27/12/21/300271221.db2.gz HULKPVODBYVONG-JHJVBQTASA-N 0 1 318.329 1.787 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000170873533 302045669 /nfs/dbraw/zinc/04/56/69/302045669.db2.gz DSJYIYRSMQONAD-NSHDSACASA-N 0 1 313.379 1.228 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000377767454 302229089 /nfs/dbraw/zinc/22/90/89/302229089.db2.gz MWILFINXCYXDFK-KGLIPLIRSA-N 0 1 306.366 1.825 20 5 DDBDMN O=C1NC[C@]2(CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000372614289 307172460 /nfs/dbraw/zinc/17/24/60/307172460.db2.gz SOSIMKCGHGWBOV-HNNXBMFYSA-N 0 1 305.334 1.712 20 5 DDBDMN O=C(N[C@@H]1c2ccccc2CC[C@@H]1CO)c1n[nH]cc1[N+](=O)[O-] ZINC000377013298 307260969 /nfs/dbraw/zinc/26/09/69/307260969.db2.gz JLJRLJPCNBWLNS-MFKMUULPSA-N 0 1 316.317 1.344 20 5 DDBDMN Cn1nccc1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000558832246 307896948 /nfs/dbraw/zinc/89/69/48/307896948.db2.gz XWLVJLHACUJTSP-UHFFFAOYSA-N 0 1 316.365 1.088 20 5 DDBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000565112808 308021455 /nfs/dbraw/zinc/02/14/55/308021455.db2.gz YIXBMYZUWOOPTL-HNNXBMFYSA-N 0 1 308.334 1.908 20 5 DDBDMN Cc1noc([C@@H](C)N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000572854731 308225608 /nfs/dbraw/zinc/22/56/08/308225608.db2.gz MEBBARHIXPVKOP-SSDOTTSWSA-N 0 1 306.278 1.825 20 5 DDBDMN Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576587177 308325356 /nfs/dbraw/zinc/32/53/56/308325356.db2.gz BAVQFUSFDUEAPS-PHIMTYICSA-N 0 1 305.334 1.599 20 5 DDBDMN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000582975193 337225238 /nfs/dbraw/zinc/22/52/38/337225238.db2.gz IYOOKOMRLBFRHV-AWEZNQCLSA-N 0 1 320.393 1.989 20 5 DDBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000397482471 337265289 /nfs/dbraw/zinc/26/52/89/337265289.db2.gz GDKLGQOTGQDQCN-MNOVXSKESA-N 0 1 321.333 1.718 20 5 DDBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000397482471 337265290 /nfs/dbraw/zinc/26/52/90/337265290.db2.gz GDKLGQOTGQDQCN-MNOVXSKESA-N 0 1 321.333 1.718 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000583749795 337329086 /nfs/dbraw/zinc/32/90/86/337329086.db2.gz LCLQSQGIOGDFLF-ZDUSSCGKSA-N 0 1 320.349 1.300 20 5 DDBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000370902581 483925934 /nfs/dbraw/zinc/92/59/34/483925934.db2.gz KGWCPXMNUULJML-LLVKDONJSA-N 0 1 300.318 1.534 20 5 DDBDMN O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425067933 534630436 /nfs/dbraw/zinc/63/04/36/534630436.db2.gz SMSRSDPVBMZTFV-SNVBAGLBSA-N 0 1 317.305 1.108 20 5 DDBDMN C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000156242665 525042105 /nfs/dbraw/zinc/04/21/05/525042105.db2.gz UTACTQSMJFGGTM-MNOVXSKESA-N 0 1 313.379 1.107 20 5 DDBDMN CC(C)(N)c1noc(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000431069788 527261949 /nfs/dbraw/zinc/26/19/49/527261949.db2.gz WQFWXKLECBMFKH-UHFFFAOYSA-N 0 1 317.349 1.730 20 5 DDBDMN CC(C)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000413519217 527281899 /nfs/dbraw/zinc/28/18/99/527281899.db2.gz RUEXJJSRMHFPPQ-WDEREUQCSA-N 0 1 316.321 1.263 20 5 DDBDMN CCO[C@@H]1COCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680052 527770532 /nfs/dbraw/zinc/77/05/32/527770532.db2.gz CXSJKOHIEMCUQN-GXTWGEPZSA-N 0 1 320.349 1.755 20 5 DDBDMN CC(C)[NH+](CCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000445162642 528890837 /nfs/dbraw/zinc/89/08/37/528890837.db2.gz UKLBCIWMCXJVPJ-UHFFFAOYSA-N 0 1 324.381 1.886 20 5 DDBDMN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000451079097 529196887 /nfs/dbraw/zinc/19/68/87/529196887.db2.gz HZMHYPKMMGOSBR-RXMQYKEDSA-N 0 1 300.308 1.978 20 5 DDBDMN O=C([O-])[C@@H]1CC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000821510410 598201939 /nfs/dbraw/zinc/20/19/39/598201939.db2.gz CRKVRXWXRMATAZ-GFCCVEGCSA-N 0 1 316.317 1.822 20 5 DDBDMN C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000737515987 599853898 /nfs/dbraw/zinc/85/38/98/599853898.db2.gz XTRKLNVENPDLCV-JTQLQIEISA-N 0 1 321.333 1.365 20 5 DDBDMN CN(C(=O)C[N@H+]1CC[C@](C)(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000830478107 601947652 /nfs/dbraw/zinc/94/76/52/601947652.db2.gz JYXIVROPACVAKV-HNNXBMFYSA-N 0 1 321.333 1.354 20 5 DDBDMN CN(C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739665184 602529035 /nfs/dbraw/zinc/52/90/35/602529035.db2.gz 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O=[N+]([O-])c1nccn1C[C@@H](O)CN1CCc2ccccc2C1 ZINC000601961866 358754594 /nfs/dbraw/zinc/75/45/94/358754594.db2.gz AYGQTNSNRPSYHX-AWEZNQCLSA-N 0 1 302.334 1.211 20 5 DDBDMN COc1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1[N+](=O)[O-] ZINC000602078897 358802937 /nfs/dbraw/zinc/80/29/37/358802937.db2.gz BNJDYCAMEJLDJG-LBPRGKRZSA-N 0 1 307.350 1.704 20 5 DDBDMN CCC[C@@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OC ZINC000602437532 358975539 /nfs/dbraw/zinc/97/55/39/358975539.db2.gz BGSDRJFDTAVOCR-AWEZNQCLSA-N 0 1 308.382 1.927 20 5 DDBDMN Cc1nn(CCC(=O)N2CCNC[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000602528456 359028443 /nfs/dbraw/zinc/02/84/43/359028443.db2.gz MYUCJWKAUOSFEC-ZDUSSCGKSA-N 0 1 323.397 1.255 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000602775668 359181777 /nfs/dbraw/zinc/18/17/77/359181777.db2.gz MAFJAVFFTSAAQN-ONGXEEELSA-N 0 1 322.287 1.487 20 5 DDBDMN COCC(=O)NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000603681782 359671838 /nfs/dbraw/zinc/67/18/38/359671838.db2.gz FRLNIJRGDWLCIP-UHFFFAOYSA-N 0 1 307.350 1.322 20 5 DDBDMN CSC[C@H](O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187826628 200161954 /nfs/dbraw/zinc/16/19/54/200161954.db2.gz LJQOPUPTBNKETB-CQSZACIVSA-N 0 1 311.407 1.441 20 5 DDBDMN CN1CCC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604198286 359725819 /nfs/dbraw/zinc/72/58/19/359725819.db2.gz FLIZECBHDHLYLN-SNVBAGLBSA-N 0 1 321.333 1.190 20 5 DDBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000237852021 202370542 /nfs/dbraw/zinc/37/05/42/202370542.db2.gz UVNQGIXXKOZHRZ-MRVPVSSYSA-N 0 1 319.770 1.279 20 5 DDBDMN Cc1cc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000609594907 360331129 /nfs/dbraw/zinc/33/11/29/360331129.db2.gz JDFZJWBOBHSINL-UHFFFAOYSA-N 0 1 300.278 1.433 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCOc3ccccc3C2)c1[N+](=O)[O-] ZINC000609476667 360311592 /nfs/dbraw/zinc/31/15/92/360311592.db2.gz OMCBHEPOFBENPQ-UHFFFAOYSA-N 0 1 316.317 1.915 20 5 DDBDMN CCc1n[nH]c(C(=O)N2CCC[C@H](n3ccnc3)C2)c1[N+](=O)[O-] ZINC000609477084 360312010 /nfs/dbraw/zinc/31/20/10/360312010.db2.gz KDVGLMIIPYMJND-JTQLQIEISA-N 0 1 318.337 1.554 20 5 DDBDMN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)CO1 ZINC000610369645 360422580 /nfs/dbraw/zinc/42/25/80/360422580.db2.gz MHDHDNZYMKIAKQ-GFCCVEGCSA-N 0 1 312.370 1.042 20 5 DDBDMN Cc1cc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n[nH]1 ZINC000610500660 360454618 /nfs/dbraw/zinc/45/46/18/360454618.db2.gz WKHHVQIDLUEDEX-UHFFFAOYSA-N 0 1 324.362 1.722 20 5 DDBDMN Cc1cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n[nH]1 ZINC000611150271 360638332 /nfs/dbraw/zinc/63/83/32/360638332.db2.gz QQRYMIXKTFAZFK-UHFFFAOYSA-N 0 1 313.317 1.967 20 5 DDBDMN CCN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1C ZINC000611271194 360685998 /nfs/dbraw/zinc/68/59/98/360685998.db2.gz UQVLJTFLXLWSBS-LBPRGKRZSA-N 0 1 321.377 1.892 20 5 DDBDMN O=C(N[C@@H](CO)CC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611295978 360693020 /nfs/dbraw/zinc/69/30/20/360693020.db2.gz LMPJQGGSEJZQTK-SECBINFHSA-N 0 1 304.306 1.362 20 5 DDBDMN COC(=O)[C@@H]1CCCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000614021909 361663626 /nfs/dbraw/zinc/66/36/26/361663626.db2.gz MYOQOBHLIVOCDU-ZDUSSCGKSA-N 0 1 322.317 1.858 20 5 DDBDMN CN1CC2(C1)CCN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)C2 ZINC000618920900 363801624 /nfs/dbraw/zinc/80/16/24/363801624.db2.gz JTSCQVSCXNOORL-UHFFFAOYSA-N 0 1 314.345 1.854 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(OCCCO)CC1 ZINC000619531655 364050082 /nfs/dbraw/zinc/05/00/82/364050082.db2.gz AHQFKHUXOCVEIU-UHFFFAOYSA-N 0 1 324.377 1.967 20 5 DDBDMN Cc1ccc(C(=O)NC[C@H]2CN3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619873732 364170767 /nfs/dbraw/zinc/17/07/67/364170767.db2.gz SVMCDIPZUMDFES-AWEZNQCLSA-N 0 1 318.377 1.023 20 5 DDBDMN CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000262391177 203282235 /nfs/dbraw/zinc/28/22/35/203282235.db2.gz RMHXHZANWNULSD-UHFFFAOYSA-N 0 1 312.322 1.779 20 5 DDBDMN CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000288243906 220040175 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COc1ccc(CNC(=O)CN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000268555726 206797101 /nfs/dbraw/zinc/79/71/01/206797101.db2.gz NQAHWPVDJHWKLA-UHFFFAOYSA-N 0 1 321.377 1.952 20 5 DDBDMN CCC[N@H+]1CC[C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000567475199 304222451 /nfs/dbraw/zinc/22/24/51/304222451.db2.gz ATNMXZPPCHKIPV-JTQLQIEISA-N 0 1 308.338 1.832 20 5 DDBDMN O=C(CCCCc1cn[nH]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000273208578 210586584 /nfs/dbraw/zinc/58/65/84/210586584.db2.gz MROPBGOSTHUDPM-UHFFFAOYSA-N 0 1 317.349 1.785 20 5 DDBDMN CC(C)(C)[S@@](=O)CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269135200 207265808 /nfs/dbraw/zinc/26/58/08/207265808.db2.gz CWUIJVJFUXSJFU-NRFANRHFSA-N 0 1 314.363 1.577 20 5 DDBDMN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[N@H+]1C1CC1 ZINC000158160902 197248530 /nfs/dbraw/zinc/24/85/30/197248530.db2.gz XCMZBLGOWDPKEB-ZJUUUORDSA-N 0 1 305.334 1.655 20 5 DDBDMN O=[N+]([O-])c1cccnc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000453581890 285165993 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Cc1cnc(NC[C@H](C(C)C)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000266213278 407534001 /nfs/dbraw/zinc/53/40/01/407534001.db2.gz NOYSATCSJBRHAJ-OAHLLOKOSA-N 0 1 321.425 1.982 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N(C)C)C1 ZINC000170873739 407541991 /nfs/dbraw/zinc/54/19/91/407541991.db2.gz MYHUYEXBKQCJBA-NSHDSACASA-N 0 1 313.379 1.228 20 5 DDBDMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186401027 407655895 /nfs/dbraw/zinc/65/58/95/407655895.db2.gz DUTKEKWIKOFQQL-NSHDSACASA-N 0 1 307.350 1.714 20 5 DDBDMN COc1ccc(OCC[N@H+]2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000262168542 407757428 /nfs/dbraw/zinc/75/74/28/407757428.db2.gz UROGYLLAKLUHBQ-NSHDSACASA-N 0 1 310.306 1.531 20 5 DDBDMN COC(=O)[C@@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000135382086 408009404 /nfs/dbraw/zinc/00/94/04/408009404.db2.gz ZBBGLROLQQQQPZ-HNNXBMFYSA-N 0 1 322.361 1.649 20 5 DDBDMN CC[C@@H](C)[C@@H](O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000119439466 408069955 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Cc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCNC2=O)CC1 ZINC000183219349 408358623 /nfs/dbraw/zinc/35/86/23/408358623.db2.gz VHOUTAUHGSNYBR-UHFFFAOYSA-N 0 1 318.377 1.893 20 5 DDBDMN Cc1cc(C(=O)N[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264472047 408505045 /nfs/dbraw/zinc/50/50/45/408505045.db2.gz UMVPHRXAZXPGMX-CYBMUJFWSA-N 0 1 320.393 1.269 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264533267 408525569 /nfs/dbraw/zinc/52/55/69/408525569.db2.gz YYFNJFKEJDKAGE-LLVKDONJSA-N 0 1 320.349 1.396 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000264361681 408461850 /nfs/dbraw/zinc/46/18/50/408461850.db2.gz SFCDVEKWCBQQBS-UHFFFAOYSA-N 0 1 309.713 1.647 20 5 DDBDMN COCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000264552252 408532478 /nfs/dbraw/zinc/53/24/78/408532478.db2.gz PHAZHAWEPKKZJF-NSHDSACASA-N 0 1 323.349 1.054 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000264552252 408532482 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WYOWZSNFBNHPOQ-UHFFFAOYSA-N 0 1 318.171 1.868 20 5 DDBDMN C[S@](=O)CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000735085003 699676862 /nfs/dbraw/zinc/67/68/62/699676862.db2.gz HCYKCFLCVNHPLH-NRFANRHFSA-N 0 1 314.363 1.224 20 5 DDBDMN CC(C)[C@H]1C[N@@H+](C)CCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000737611807 699742780 /nfs/dbraw/zinc/74/27/80/699742780.db2.gz AJZLIPMYGAAKNM-LLVKDONJSA-N 0 1 308.338 1.464 20 5 DDBDMN O=C(NCc1cccnc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000794000447 699791382 /nfs/dbraw/zinc/79/13/82/699791382.db2.gz WLOQZQHJHMTJFR-UHFFFAOYSA-N 0 1 315.264 1.935 20 5 DDBDMN Cc1nc(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000795369964 699862148 /nfs/dbraw/zinc/86/21/48/699862148.db2.gz QNXVPNRUZBQRJQ-UHFFFAOYSA-N 0 1 310.241 1.283 20 5 DDBDMN COC(=O)/C=C\c1ccc(NCCN2CCC2)c([N+](=O)[O-])c1 ZINC000751941705 700328297 /nfs/dbraw/zinc/32/82/97/700328297.db2.gz WZOVHSXXRIQOSO-XQRVVYSFSA-N 0 1 305.334 1.899 20 5 DDBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 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1.516 20 5 DDBDMN CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839568946 701739987 /nfs/dbraw/zinc/73/99/87/701739987.db2.gz TZLVGOCUUUEGBE-ZWKOPEQDSA-N 0 1 305.334 1.819 20 5 DDBDMN O=C(NC[C@H](O)c1c(F)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839691481 701786095 /nfs/dbraw/zinc/78/60/95/701786095.db2.gz HPXKILFBIYPHQY-DRTBCBBWSA-N 0 1 302.689 1.294 20 5 DDBDMN Cc1cccc(C2(O)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1C ZINC000839692107 701786224 /nfs/dbraw/zinc/78/62/24/701786224.db2.gz IDJSIIKQFAHLJP-UKRRQHHQSA-N 0 1 318.373 1.779 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl ZINC000839696348 701787716 /nfs/dbraw/zinc/78/77/16/701787716.db2.gz QMZBKORTSXONIV-XKJOSPHBSA-N 0 1 316.716 1.682 20 5 DDBDMN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710377 701792881 /nfs/dbraw/zinc/79/28/81/701792881.db2.gz ZIIOKZSEZBAPLG-HTQZYQBOSA-N 0 1 306.244 1.063 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000839714917 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317.301 1.563 20 5 DDBDMN CCO[C@@H](C)c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000840671185 702194966 /nfs/dbraw/zinc/19/49/66/702194966.db2.gz ONDOAIFYZFWYEO-FXBDTBDDSA-N 0 1 300.336 1.949 20 5 DDBDMN Cc1sc2nc(COC(=O)[C@@H]3CC3[N+](=O)[O-])nc(N)c2c1C ZINC000840672435 702196527 /nfs/dbraw/zinc/19/65/27/702196527.db2.gz QFGLPVBZHOBLSY-HTQZYQBOSA-N 0 1 322.346 1.599 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000840672614 702196938 /nfs/dbraw/zinc/19/69/38/702196938.db2.gz DHQNKGSQUREHDQ-GGZOMVNGSA-N 0 1 313.331 1.360 20 5 DDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000840672716 702197180 /nfs/dbraw/zinc/19/71/80/702197180.db2.gz OTJOGIJHWKMKDT-UMSGYPCISA-N 0 1 310.350 1.376 20 5 DDBDMN COC(=O)c1ccc(Cl)c(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673671 702198872 /nfs/dbraw/zinc/19/88/72/702198872.db2.gz XVDFTWWBTFDJIH-MWLCHTKSSA-N 0 1 313.693 1.835 20 5 DDBDMN CCOC(=O)[C@H](CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000840686424 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O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[C@@H](CO)O2)c1 ZINC000292668296 223192740 /nfs/dbraw/zinc/19/27/40/223192740.db2.gz LZXRRUVXEAGESU-NEPJUHHUSA-N 0 1 300.742 1.878 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253519 363946566 /nfs/dbraw/zinc/94/65/66/363946566.db2.gz YFJJVMXTOBLEBS-RYUDHWBXSA-N 0 1 323.324 1.559 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000619868332 364167341 /nfs/dbraw/zinc/16/73/41/364167341.db2.gz SFKYXTSIQVTINS-SSDOTTSWSA-N 0 1 307.266 1.031 20 5 DDBDMN CCOCC[NH+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000349878223 284090807 /nfs/dbraw/zinc/09/08/07/284090807.db2.gz VCMXPLXJLQGEEX-UHFFFAOYSA-N 0 1 309.366 1.455 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000262610300 203349891 /nfs/dbraw/zinc/34/98/91/203349891.db2.gz BREXPCRLPNUANK-JTQLQIEISA-N 0 1 309.322 1.637 20 5 DDBDMN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCN(C)CC1 ZINC000263748281 203542730 /nfs/dbraw/zinc/54/27/30/203542730.db2.gz JLWLJYMJYCKCAB-JTQLQIEISA-N 0 1 312.395 1.022 20 5 DDBDMN Cc1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000265002112 204335602 /nfs/dbraw/zinc/33/56/02/204335602.db2.gz DZXWRJNQHOUPDQ-ZDUSSCGKSA-N 0 1 320.393 1.269 20 5 DDBDMN CN(CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CC1 ZINC000288297543 220070528 /nfs/dbraw/zinc/07/05/28/220070528.db2.gz GZPBMYJIXFQALK-UHFFFAOYSA-N 0 1 303.322 1.750 20 5 DDBDMN CCN1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000288454409 220152165 /nfs/dbraw/zinc/15/21/65/220152165.db2.gz NYUSAFHNXIGABO-CYBMUJFWSA-N 0 1 320.393 1.584 20 5 DDBDMN CNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351977159 284682955 /nfs/dbraw/zinc/68/29/55/284682955.db2.gz FIQYAHWOLCLZRH-UHFFFAOYSA-N 0 1 307.350 1.561 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000285090696 218287422 /nfs/dbraw/zinc/28/74/22/218287422.db2.gz DMCBIJLQIVNOMV-GJZGRUSLSA-N 0 1 319.361 1.448 20 5 DDBDMN C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285140406 218307062 /nfs/dbraw/zinc/30/70/62/218307062.db2.gz LUPUZFQHWQQMLO-VIFPVBQESA-N 0 1 313.379 1.405 20 5 DDBDMN Cc1cccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000567581576 304227510 /nfs/dbraw/zinc/22/75/10/304227510.db2.gz IDASGXZUQXLDGM-AWEZNQCLSA-N 0 1 317.345 1.828 20 5 DDBDMN Nc1c(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc(F)cc1[N+](=O)[O-] ZINC000268932911 207097733 /nfs/dbraw/zinc/09/77/33/207097733.db2.gz FKXOGAVJWWRVAL-SNVBAGLBSA-N 0 1 319.296 1.847 20 5 DDBDMN CC(C)NC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196722 184007114 /nfs/dbraw/zinc/00/71/14/184007114.db2.gz HFFCFZRIZQLSFV-QWRGUYRKSA-N 0 1 322.365 1.868 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2cn[nH]c21 ZINC000269011916 207163216 /nfs/dbraw/zinc/16/32/16/207163216.db2.gz SRNAPBYYOPSQQN-LBPRGKRZSA-N 0 1 315.333 1.924 20 5 DDBDMN CC(=O)N(C)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269135284 207266784 /nfs/dbraw/zinc/26/67/84/207266784.db2.gz DCSVCJWSSPHKJE-UHFFFAOYSA-N 0 1 321.333 1.383 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000270033343 208087597 /nfs/dbraw/zinc/08/75/97/208087597.db2.gz BODWRUFCGDVBOX-MWLCHTKSSA-N 0 1 310.354 1.503 20 5 DDBDMN CN(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(F)c1 ZINC000158952879 197313839 /nfs/dbraw/zinc/31/38/39/197313839.db2.gz NHKTZTMUXOCLBN-LLVKDONJSA-N 0 1 321.312 1.490 20 5 DDBDMN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000286503097 219023326 /nfs/dbraw/zinc/02/33/26/219023326.db2.gz SFXBHAJICVMLQA-VIFPVBQESA-N 0 1 301.368 1.360 20 5 DDBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2nc[nH]c2c1 ZINC000352619749 285178369 /nfs/dbraw/zinc/17/83/69/285178369.db2.gz WJXCMWHIDBFXEA-UHFFFAOYSA-N 0 1 300.278 1.696 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000425064881 533212952 /nfs/dbraw/zinc/21/29/52/533212952.db2.gz JDPBNQTYHJBKCE-SECBINFHSA-N 0 1 317.305 1.351 20 5 DDBDMN COCCC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000289994062 221367010 /nfs/dbraw/zinc/36/70/10/221367010.db2.gz DMIOORWPVLEMKH-CYBMUJFWSA-N 0 1 324.377 1.693 20 5 DDBDMN O=C(NCc1ccc(OCC2CC2)nc1)c1n[nH]cc1[N+](=O)[O-] ZINC000128578786 195975611 /nfs/dbraw/zinc/97/56/11/195975611.db2.gz PWBVZWVAVXJKKV-UHFFFAOYSA-N 0 1 317.305 1.432 20 5 DDBDMN Cc1nnc(SCCC(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000073710430 406892876 /nfs/dbraw/zinc/89/28/76/406892876.db2.gz YSYAFZQYHPLFHP-UHFFFAOYSA-N 0 1 321.362 1.820 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000076381098 406967096 /nfs/dbraw/zinc/96/70/96/406967096.db2.gz DRIUFUUYFCQCHA-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN CCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000077010086 406977260 /nfs/dbraw/zinc/97/72/60/406977260.db2.gz JABQQSZBWCKGDS-UHFFFAOYSA-N 0 1 307.350 1.858 20 5 DDBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2nnc[nH]2)c1 ZINC000078006936 407016226 /nfs/dbraw/zinc/01/62/26/407016226.db2.gz VVITZOCZAGYHET-UHFFFAOYSA-N 0 1 307.335 1.707 20 5 DDBDMN CC(C)N(C)CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103201166 407333868 /nfs/dbraw/zinc/33/38/68/407333868.db2.gz CIVVDHXMPXRLHJ-UHFFFAOYSA-N 0 1 318.337 1.659 20 5 DDBDMN CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000124696811 407366074 /nfs/dbraw/zinc/36/60/74/407366074.db2.gz BQBKKBGKQQEUEE-OLZOCXBDSA-N 0 1 308.382 1.580 20 5 DDBDMN CC(C)(C)OC(=O)[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000178516321 407477409 /nfs/dbraw/zinc/47/74/09/407477409.db2.gz LMTDELSNMWZXOZ-NSHDSACASA-N 0 1 310.354 1.455 20 5 DDBDMN CNC(=O)[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000170911874 407551071 /nfs/dbraw/zinc/55/10/71/407551071.db2.gz YETBDWMJEPSBTE-OAHLLOKOSA-N 0 1 321.377 1.964 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)CCOCC2CC2)c1[N+](=O)[O-] ZINC000128495115 407541109 /nfs/dbraw/zinc/54/11/09/407541109.db2.gz RDYRSPSEQCJPSS-UHFFFAOYSA-N 0 1 310.354 1.769 20 5 DDBDMN Cc1nn(CCc2nc(C3(N)CCC3)no2)c(C)c1[N+](=O)[O-] ZINC000261610987 407549878 /nfs/dbraw/zinc/54/98/78/407549878.db2.gz ATEAHDFFYHVQNS-UHFFFAOYSA-N 0 1 306.326 1.372 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC000152246856 407593759 /nfs/dbraw/zinc/59/37/59/407593759.db2.gz BYBYPRMVFGTGMR-UHFFFAOYSA-N 0 1 324.337 1.250 20 5 DDBDMN C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000153363176 407809077 /nfs/dbraw/zinc/80/90/77/407809077.db2.gz UEAPTIYWSOBOJT-TXEJJXNPSA-N 0 1 306.366 1.606 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262620055 407884447 /nfs/dbraw/zinc/88/44/47/407884447.db2.gz CMLFEGHJPIUJIT-WDEREUQCSA-N 0 1 321.333 1.718 20 5 DDBDMN Cc1ccc(-c2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000134275773 407892080 /nfs/dbraw/zinc/89/20/80/407892080.db2.gz UYOOBCNWYIJGNE-UHFFFAOYSA-N 0 1 313.277 1.664 20 5 DDBDMN COc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000153771356 407898455 /nfs/dbraw/zinc/89/84/55/407898455.db2.gz BNUXUKCAWKBFNT-GFCCVEGCSA-N 0 1 307.350 1.770 20 5 DDBDMN C[C@@H](O)CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000189571682 408053363 /nfs/dbraw/zinc/05/33/63/408053363.db2.gz IGDURHQZAHBJBW-ZENOOKHLSA-N 0 1 323.393 1.015 20 5 DDBDMN O=C(NC[C@@H]1COC2(CCCCC2)O1)c1n[nH]cc1[N+](=O)[O-] ZINC000182187780 408084464 /nfs/dbraw/zinc/08/44/64/408084464.db2.gz NQQCSPMOZRGPIQ-SECBINFHSA-N 0 1 310.310 1.124 20 5 DDBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155144540 408131001 /nfs/dbraw/zinc/13/10/01/408131001.db2.gz JYARAQKLTALJQB-QWRGUYRKSA-N 0 1 309.341 1.827 20 5 DDBDMN CC(C)(O)CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000190091193 408163392 /nfs/dbraw/zinc/16/33/92/408163392.db2.gz GRRQFANEIUOCQU-UHFFFAOYSA-N 0 1 318.333 1.847 20 5 DDBDMN Cc1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000263796481 408263193 /nfs/dbraw/zinc/26/31/93/408263193.db2.gz RUNYDTLUXVNNIJ-CYBMUJFWSA-N 0 1 320.393 1.269 20 5 DDBDMN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1CCOC ZINC000150768368 408197483 /nfs/dbraw/zinc/19/74/83/408197483.db2.gz ONSMJZDDWHBYTP-CYBMUJFWSA-N 0 1 308.382 1.845 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC[C@H]1c1nnc[nH]1 ZINC000182708185 408227914 /nfs/dbraw/zinc/22/79/14/408227914.db2.gz GHNCTUMIBASBPI-LBPRGKRZSA-N 0 1 318.337 1.102 20 5 DDBDMN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCc1nc[nH]n1 ZINC000269334903 408272781 /nfs/dbraw/zinc/27/27/81/408272781.db2.gz NRBSZAJWRRDYHD-UHFFFAOYSA-N 0 1 318.293 1.324 20 5 DDBDMN C[C@H](O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000246641628 408310305 /nfs/dbraw/zinc/31/03/05/408310305.db2.gz FRZJXCDJLKYKBR-STQMWFEESA-N 0 1 321.377 1.051 20 5 DDBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000183442121 408414253 /nfs/dbraw/zinc/41/42/53/408414253.db2.gz GVIFQTLFWCUSBS-JTQLQIEISA-N 0 1 317.309 1.867 20 5 DDBDMN CCC[C@H](NC(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000176769527 408437676 /nfs/dbraw/zinc/43/76/76/408437676.db2.gz DEEPVWNNQGBWJR-VIFPVBQESA-N 0 1 320.309 1.388 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000264424058 408484369 /nfs/dbraw/zinc/48/43/69/408484369.db2.gz KVMXWLAYWADXIH-CYBMUJFWSA-N 0 1 320.393 1.269 20 5 DDBDMN Nc1c(F)c(N2CC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000274711465 408504629 /nfs/dbraw/zinc/50/46/29/408504629.db2.gz YCQYRLBYYREXOR-LLVKDONJSA-N 0 1 324.356 1.475 20 5 DDBDMN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000160223395 408466273 /nfs/dbraw/zinc/46/62/73/408466273.db2.gz IJAKUFDOYQKPIQ-ZJUUUORDSA-N 0 1 323.353 1.131 20 5 DDBDMN CN(CC1(O)CCCC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000269941660 408476846 /nfs/dbraw/zinc/47/68/46/408476846.db2.gz UGPJMGRWHSGQLB-UHFFFAOYSA-N 0 1 318.333 1.848 20 5 DDBDMN CC(=O)C[C@@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274853750 408556224 /nfs/dbraw/zinc/55/62/24/408556224.db2.gz RUQCHRPQZPQNML-GFCCVEGCSA-N 0 1 308.290 1.121 20 5 DDBDMN Cc1nc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CCCC2)no1 ZINC000270736525 408658434 /nfs/dbraw/zinc/65/84/34/408658434.db2.gz DVKWRLLFKPNMJJ-UHFFFAOYSA-N 0 1 306.282 1.209 20 5 DDBDMN CSC[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000265458509 408659932 /nfs/dbraw/zinc/65/99/32/408659932.db2.gz DIIDSORTZDUNJI-SSDOTTSWSA-N 0 1 308.356 1.764 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)N2CCN(C)CC2)n1 ZINC000177999710 408754132 /nfs/dbraw/zinc/75/41/32/408754132.db2.gz RDIUNDSWDTWQKS-HNNXBMFYSA-N 0 1 321.425 1.982 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)c1[N+](=O)[O-] ZINC000285999058 408905241 /nfs/dbraw/zinc/90/52/41/408905241.db2.gz MMHDKGVEZAJVRV-JTQLQIEISA-N 0 1 304.310 1.717 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CN1CCN(C)CC1 ZINC000192577375 163228323 /nfs/dbraw/zinc/22/83/23/163228323.db2.gz QJCROVGMNTWRPV-LLVKDONJSA-N 0 1 310.402 1.167 20 5 DDBDMN Cc1noc([C@@H]2CCCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000286402084 408977460 /nfs/dbraw/zinc/97/74/60/408977460.db2.gz LRQYISMZSAWJRC-VIFPVBQESA-N 0 1 320.309 1.685 20 5 DDBDMN C[C@H](Cn1cccn1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278928095 409114780 /nfs/dbraw/zinc/11/47/80/409114780.db2.gz VTHUELPFHVVWKK-SNVBAGLBSA-N 0 1 305.294 1.878 20 5 DDBDMN C[C@H](O)CN(CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293462510 409117834 /nfs/dbraw/zinc/11/78/34/409117834.db2.gz DHMVMWFIHRANJD-VIFPVBQESA-N 0 1 322.283 1.789 20 5 DDBDMN CC(C)[C@](C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000287958465 409121967 /nfs/dbraw/zinc/12/19/67/409121967.db2.gz QTXVJXYQNSUARU-AWEZNQCLSA-N 0 1 319.321 1.101 20 5 DDBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2O1 ZINC000295530872 409334184 /nfs/dbraw/zinc/33/41/84/409334184.db2.gz RJDFLBDFPNNRST-PSASIEDQSA-N 0 1 302.290 1.960 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCC(O)CC1 ZINC000314293362 164014053 /nfs/dbraw/zinc/01/40/53/164014053.db2.gz VYTPVILQLLKWOU-UHFFFAOYSA-N 0 1 318.326 1.316 20 5 DDBDMN C[C@@]1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCOC1 ZINC000314992713 164017638 /nfs/dbraw/zinc/01/76/38/164017638.db2.gz RQTAONDQQBMETD-GFCCVEGCSA-N 0 1 318.326 1.581 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000318811442 164033417 /nfs/dbraw/zinc/03/34/17/164033417.db2.gz UMLIYVSTUPQFBL-NEPJUHHUSA-N 0 1 305.334 1.657 20 5 DDBDMN COC[C@@]1(C)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000295482876 409502143 /nfs/dbraw/zinc/50/21/43/409502143.db2.gz ODMVZHCCGWFKNL-HNNXBMFYSA-N 0 1 318.333 1.970 20 5 DDBDMN CC(C)C(=O)NCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356727414 409554133 /nfs/dbraw/zinc/55/41/33/409554133.db2.gz MNCHZIFFJUBPMG-UHFFFAOYSA-N 0 1 309.322 1.193 20 5 DDBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000331534353 409609325 /nfs/dbraw/zinc/60/93/25/409609325.db2.gz PTKCWGYJUXFDGJ-NXEZZACHSA-N 0 1 305.334 1.655 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCO[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000331603564 409682679 /nfs/dbraw/zinc/68/26/79/409682679.db2.gz OEMOJXLFHIWIMU-LBPRGKRZSA-N 0 1 316.317 1.840 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000357029286 409806373 /nfs/dbraw/zinc/80/63/73/409806373.db2.gz CSFDTOJKCUYDAP-CHWSQXEVSA-N 0 1 320.393 1.866 20 5 DDBDMN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000316413797 409854516 /nfs/dbraw/zinc/85/45/16/409854516.db2.gz YRIXETXHYNUMCN-CMPLNLGQSA-N 0 1 305.334 1.701 20 5 DDBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000332229834 409998709 /nfs/dbraw/zinc/99/87/09/409998709.db2.gz OAINHLYZAAOBRX-FPVGNUTFSA-N 0 1 312.347 1.284 20 5 DDBDMN CC[C@H]1C(=O)N(CC)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339100539 410058779 /nfs/dbraw/zinc/05/87/79/410058779.db2.gz OLRDZCKFAYFJLU-ZDUSSCGKSA-N 0 1 307.350 1.743 20 5 DDBDMN CCc1n[nH]c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000351689051 410151199 /nfs/dbraw/zinc/15/11/99/410151199.db2.gz YWDBUMSXMQPPNV-UHFFFAOYSA-N 0 1 321.293 1.545 20 5 DDBDMN CCc1nc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000351689051 410151206 /nfs/dbraw/zinc/15/12/06/410151206.db2.gz YWDBUMSXMQPPNV-UHFFFAOYSA-N 0 1 321.293 1.545 20 5 DDBDMN COc1cc(NCCN2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000343852889 410751462 /nfs/dbraw/zinc/75/14/62/410751462.db2.gz QWDGATMNVLHYGU-UHFFFAOYSA-N 0 1 312.345 1.402 20 5 DDBDMN COC(=O)c1cc(C(=O)NCc2cnc[nH]2)cc([N+](=O)[O-])c1 ZINC000359701003 410826641 /nfs/dbraw/zinc/82/66/41/410826641.db2.gz RNVFFDXPYIXHMZ-UHFFFAOYSA-N 0 1 304.262 1.035 20 5 DDBDMN Cc1nn(CCC(=O)N2C[C@H](C)N(C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000330605533 410821670 /nfs/dbraw/zinc/82/16/70/410821670.db2.gz ZDVYNUWHKZJQQQ-WDEREUQCSA-N 0 1 323.397 1.349 20 5 DDBDMN Cc1n[nH]c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1C ZINC000359843699 410910824 /nfs/dbraw/zinc/91/08/24/410910824.db2.gz JKVOJPORQFNCIR-UHFFFAOYSA-N 0 1 303.322 1.777 20 5 DDBDMN C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000331062092 410923943 /nfs/dbraw/zinc/92/39/43/410923943.db2.gz CMRYCILLQFVDBM-UHFFFAOYSA-N 0 1 308.338 1.109 20 5 DDBDMN COCCC1(C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000356562875 411089635 /nfs/dbraw/zinc/08/96/35/411089635.db2.gz QFDYRLIYQXEXJI-UHFFFAOYSA-N 0 1 310.354 1.940 20 5 DDBDMN O=C([O-])c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000579964077 422866246 /nfs/dbraw/zinc/86/62/46/422866246.db2.gz QCSCNFUHNMVEHL-TXEJJXNPSA-N 0 1 321.333 1.568 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCN1CCOCC1)CC2 ZINC000131399829 196164761 /nfs/dbraw/zinc/16/47/61/196164761.db2.gz BOZPAEUFRTXJBN-UHFFFAOYSA-N 0 1 305.378 1.675 20 5 DDBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000373859019 418466908 /nfs/dbraw/zinc/46/69/08/418466908.db2.gz KMBCLHYPWFLTQG-FSPSUXSGSA-N 0 1 308.378 1.848 20 5 DDBDMN O=C(N[C@@H](CO)C1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000291161605 222185542 /nfs/dbraw/zinc/18/55/42/222185542.db2.gz GOQIZMMFACEDDV-ZDUSSCGKSA-N 0 1 318.333 1.752 20 5 DDBDMN Nc1nc(N[C@H](c2nnc[nH]2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000375177983 418615617 /nfs/dbraw/zinc/61/56/17/418615617.db2.gz SEBZEGDUKLOQRR-JTQLQIEISA-N 0 1 312.293 1.287 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368232016 418707391 /nfs/dbraw/zinc/70/73/91/418707391.db2.gz YVSRPARRAMNZRF-WCQYABFASA-N 0 1 305.334 1.171 20 5 DDBDMN C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375512041 418652007 /nfs/dbraw/zinc/65/20/07/418652007.db2.gz QWDJTWBJORIMIZ-GFCCVEGCSA-N 0 1 322.365 1.515 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000361959927 418730511 /nfs/dbraw/zinc/73/05/11/418730511.db2.gz UAHCBCCNVPSLDT-UPJWGTAASA-N 0 1 310.737 1.905 20 5 DDBDMN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H](c4nc[nH]n4)C3)nn21 ZINC000362051314 418744669 /nfs/dbraw/zinc/74/46/69/418744669.db2.gz AUJTYBOUZDTUHE-SECBINFHSA-N 0 1 314.309 1.140 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000364777588 418810067 /nfs/dbraw/zinc/81/00/67/418810067.db2.gz HFRKSJISKFNBFW-ICCXJUOJSA-N 0 1 321.308 1.055 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 ZINC000365481449 418867184 /nfs/dbraw/zinc/86/71/84/418867184.db2.gz FMPDCDIRKSFHKQ-ZWNOBZJWSA-N 0 1 324.764 1.815 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@](O)(C2CC2)C1 ZINC000365840936 418914964 /nfs/dbraw/zinc/91/49/64/418914964.db2.gz XBJOLLCGFALCMQ-BZNIZROVSA-N 0 1 319.361 1.769 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425064567 228359243 /nfs/dbraw/zinc/35/92/43/228359243.db2.gz ICBHBOXBZLZMMC-VIFPVBQESA-N 0 1 317.305 1.351 20 5 DDBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2CCO)c2c(c1)COCO2 ZINC000426230923 419411508 /nfs/dbraw/zinc/41/15/08/419411508.db2.gz NXMYATSCNFTSJK-ZDUSSCGKSA-N 0 1 308.334 1.808 20 5 DDBDMN CNc1nc(C(=O)NCCCc2cn[nH]c2C)ccc1[N+](=O)[O-] ZINC000411815735 419423497 /nfs/dbraw/zinc/42/34/97/419423497.db2.gz AKQMXMUDISOCER-UHFFFAOYSA-N 0 1 318.337 1.426 20 5 DDBDMN Cc1c(CNC(=O)N2CCNC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000418083449 419521182 /nfs/dbraw/zinc/52/11/82/419521182.db2.gz RZQRGEHGWLTSKF-UHFFFAOYSA-N 0 1 306.366 1.797 20 5 DDBDMN CCN(CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)CCC(F)(F)F ZINC000427226983 419621719 /nfs/dbraw/zinc/62/17/19/419621719.db2.gz VLVFYKNPHBGCJO-UHFFFAOYSA-N 0 1 322.287 1.927 20 5 DDBDMN COc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000427922664 419768771 /nfs/dbraw/zinc/76/87/71/419768771.db2.gz CJIHWEVHOHVBQV-UHFFFAOYSA-N 0 1 303.274 1.634 20 5 DDBDMN COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428010768 419788033 /nfs/dbraw/zinc/78/80/33/419788033.db2.gz MYCUINJYHJANJB-LBPRGKRZSA-N 0 1 323.349 1.141 20 5 DDBDMN CN(Cc1nc(C(C)(C)N)no1)Cc1ccccc1[N+](=O)[O-] ZINC000430548725 420133242 /nfs/dbraw/zinc/13/32/42/420133242.db2.gz HFUVEFBXDMDDLE-UHFFFAOYSA-N 0 1 305.338 1.804 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000430226202 420091778 /nfs/dbraw/zinc/09/17/78/420091778.db2.gz MSQGDHJVRYWODF-CMPLNLGQSA-N 0 1 307.350 1.689 20 5 DDBDMN O=C(N=c1cc[nH]c2cc[nH+]cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974320 420389169 /nfs/dbraw/zinc/38/91/69/420389169.db2.gz XVAHRPHMQPHPOE-UHFFFAOYSA-N 0 1 310.269 1.918 20 5 DDBDMN CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000436979692 420390010 /nfs/dbraw/zinc/39/00/10/420390010.db2.gz BLSFZEKMKQOHCJ-MNOVXSKESA-N 0 1 307.350 1.855 20 5 DDBDMN O=[N+]([O-])c1cc(F)c(CN2CC[C@H](c3nc[nH]n3)C2)c(F)c1 ZINC000425543141 420413480 /nfs/dbraw/zinc/41/34/80/420413480.db2.gz HTUWYFYGDJKVGF-QMMMGPOBSA-N 0 1 309.276 1.981 20 5 DDBDMN CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000457076445 420602517 /nfs/dbraw/zinc/60/25/17/420602517.db2.gz NTBQZYMSYUVTOT-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN CC(C)C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440411656 420574570 /nfs/dbraw/zinc/57/45/70/420574570.db2.gz SYRZVBHNXIMOHU-MRVPVSSYSA-N 0 1 307.397 1.308 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@](C)(C(N)=O)C(C)C ZINC000459483343 420835799 /nfs/dbraw/zinc/83/57/99/420835799.db2.gz OCMKTJQZGMDVPJ-HNNXBMFYSA-N 0 1 322.365 1.331 20 5 DDBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])NC1(c2nn[nH]n2)CC1 ZINC000493433397 420848477 /nfs/dbraw/zinc/84/84/77/420848477.db2.gz YMYZFFIRZYUJKD-DUXPYHPUSA-N 0 1 318.268 1.066 20 5 DDBDMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456342805 421146431 /nfs/dbraw/zinc/14/64/31/421146431.db2.gz CLZOXBOFQMNINX-LBPRGKRZSA-N 0 1 307.350 1.857 20 5 DDBDMN CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC000489333273 421146669 /nfs/dbraw/zinc/14/66/69/421146669.db2.gz GHHHQAAQLOGCRE-ZDUSSCGKSA-N 0 1 324.356 1.728 20 5 DDBDMN CC[C@@H]1CN(C)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000516852236 421570565 /nfs/dbraw/zinc/57/05/65/421570565.db2.gz JAAFMVGLRCJFAL-CQSZACIVSA-N 0 1 320.393 1.873 20 5 DDBDMN CC(C)[N@H+](CC(=O)[O-])C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570933957 421677279 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ZINC001333861921 867088387 /nfs/dbraw/zinc/08/83/87/867088387.db2.gz OWLBJHVQXSIZNB-UHFFFAOYSA-N 0 1 315.377 1.802 20 5 DDBDMN COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1CN2CCC1CC2 ZINC001163393225 868412529 /nfs/dbraw/zinc/41/25/29/868412529.db2.gz QVPBYYUSCDUMIT-NSHDSACASA-N 0 1 320.349 1.591 20 5 DDBDMN C[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])CN1CCOCC1 ZINC001344814041 873128862 /nfs/dbraw/zinc/12/88/62/873128862.db2.gz FYNSATDNDRWOTH-GFCCVEGCSA-N 0 1 302.371 1.333 20 5 DDBDMN CC(C)CC1(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001348220915 874431813 /nfs/dbraw/zinc/43/18/13/874431813.db2.gz NPNBSCVSAUREEY-CHWSQXEVSA-N 0 1 323.393 1.149 20 5 DDBDMN O=C(NCc1ncccc1Br)[C@@H]1CC1[N+](=O)[O-] ZINC001355176399 878455189 /nfs/dbraw/zinc/45/51/89/878455189.db2.gz OGEYLTUOYZVQGF-HZGVNTEJSA-N 0 1 300.112 1.126 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](OCc2nn[nH]n2)C1 ZINC001223027176 880788294 /nfs/dbraw/zinc/78/82/94/880788294.db2.gz MYFKCNKAJULWKG-QMMMGPOBSA-N 0 1 308.273 1.043 20 5 DDBDMN COC(=O)[C@@H](O[C@@H]1CN2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC001223645061 881040927 /nfs/dbraw/zinc/04/09/27/881040927.db2.gz ZLNSTIKYMUMGGI-CABCVRRESA-N 0 1 320.345 1.920 20 5 DDBDMN COC(C[C@@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])OC ZINC001228603001 883568396 /nfs/dbraw/zinc/56/83/96/883568396.db2.gz HWQCQEWLIJKLRK-SSDOTTSWSA-N 0 1 313.310 1.744 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cc3n(n1)CCCO3)C2 ZINC001254599659 896524651 /nfs/dbraw/zinc/52/46/51/896524651.db2.gz OBBXGRAPWVEQPF-CYBMUJFWSA-N 0 1 314.345 1.831 20 5 DDBDMN C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC001261636550 899678206 /nfs/dbraw/zinc/67/82/06/899678206.db2.gz NMKLLGTZJNOUIG-SWHYSGLUSA-N 0 1 308.334 1.671 20 5 DDBDMN Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](O)c1cnc[nH]1 ZINC001307208146 916239420 /nfs/dbraw/zinc/23/94/20/916239420.db2.gz FQKVWXCHLSWUNS-ZCFIWIBFSA-N 0 1 320.231 1.216 20 5 DDBDMN COc1cc([C@@H]2NC(=O)[C@@H]3C[C@H](C)CCN23)cc([N+](=O)[O-])c1O ZINC000249449416 282156403 /nfs/dbraw/zinc/15/64/03/282156403.db2.gz LVFNZURLNLBSJD-FDLBOYPASA-N 0 1 321.333 1.538 20 5 DDBDMN C[C@H](C(=O)NC(N)=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543173 231122691 /nfs/dbraw/zinc/12/26/91/231122691.db2.gz BDKDARNXQCSYSH-PWSUYJOCSA-N 0 1 320.349 1.358 20 5 DDBDMN CC[C@@H](NC1(C(=O)NCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414208058 529680599 /nfs/dbraw/zinc/68/05/99/529680599.db2.gz KXXKFPDFBOJPNF-CQSZACIVSA-N 0 1 321.377 1.931 20 5 DDBDMN CC[C@@H](C)Oc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccn1 ZINC000181441707 199297554 /nfs/dbraw/zinc/29/75/54/199297554.db2.gz MUBQQDNNCFJGDL-SECBINFHSA-N 0 1 319.321 1.820 20 5 DDBDMN COc1ccc(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000272794089 210196076 /nfs/dbraw/zinc/19/60/76/210196076.db2.gz GQSKKRDUODDCJL-ZETCQYMHSA-N 0 1 306.282 1.604 20 5 DDBDMN CCCNC(=O)NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181811561 199354861 /nfs/dbraw/zinc/35/48/61/199354861.db2.gz HPFCMWVERUBMCL-LLVKDONJSA-N 0 1 322.365 1.790 20 5 DDBDMN COc1cccc(C2(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)c1 ZINC000287157667 219349790 /nfs/dbraw/zinc/34/97/90/219349790.db2.gz YIJZKOJIIGTXRE-UHFFFAOYSA-N 0 1 302.290 1.746 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(F)cc2F)n1 ZINC000355632489 290955184 /nfs/dbraw/zinc/95/51/84/290955184.db2.gz VWSZKOGNWVXVOP-UHFFFAOYSA-N 0 1 300.196 1.998 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@H]2CCC[C@H]21 ZINC000056195783 352763733 /nfs/dbraw/zinc/76/37/33/352763733.db2.gz VZVWFMZIXCCJJN-OLZOCXBDSA-N 0 1 316.317 1.865 20 5 DDBDMN Cc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)no1 ZINC000067810579 353067872 /nfs/dbraw/zinc/06/78/72/353067872.db2.gz QGGRYALTDFYVTH-UHFFFAOYSA-N 0 1 301.262 1.698 20 5 DDBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(c2ccc(F)cc2)CC1 ZINC000077294221 353462868 /nfs/dbraw/zinc/46/28/68/353462868.db2.gz CSDIAJJNHABMSJ-CABCVRRESA-N 0 1 321.352 1.918 20 5 DDBDMN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174809290 198387791 /nfs/dbraw/zinc/38/77/91/198387791.db2.gz RCDXYNRODRTKOP-CYBMUJFWSA-N 0 1 318.333 1.563 20 5 DDBDMN COC(=O)CCN1CCN(c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000089265529 353763506 /nfs/dbraw/zinc/76/35/06/353763506.db2.gz JCWQSDFUPDQIFZ-GFCCVEGCSA-N 0 1 307.350 1.668 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000587416296 354882473 /nfs/dbraw/zinc/88/24/73/354882473.db2.gz WGAGLMSZNJXNPS-CAHLUQPWSA-N 0 1 322.243 1.418 20 5 DDBDMN Cc1c(CC(=O)N(C)Cc2n[nH]c(=O)o2)cccc1[N+](=O)[O-] ZINC000588849521 354942769 /nfs/dbraw/zinc/94/27/69/354942769.db2.gz UABFZEPHJRNXPO-UHFFFAOYSA-N 0 1 306.278 1.193 20 5 DDBDMN COc1cc(C(=O)N2CCC3(CN(C)C3)C2)cc([N+](=O)[O-])c1C ZINC000590335680 355073472 /nfs/dbraw/zinc/07/34/72/355073472.db2.gz ULGDUUOYNONVLC-UHFFFAOYSA-N 0 1 319.361 1.690 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000590548465 355110821 /nfs/dbraw/zinc/11/08/21/355110821.db2.gz FBVBGUNVRJWQIY-OLZOCXBDSA-N 0 1 319.361 1.184 20 5 DDBDMN O=C1NC2(CO1)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000495141154 235131115 /nfs/dbraw/zinc/13/11/15/235131115.db2.gz RLXHNDRAKAEGBD-ZDUSSCGKSA-N 0 1 321.333 1.203 20 5 DDBDMN CCc1nc(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1 ZINC000590654434 355138153 /nfs/dbraw/zinc/13/81/53/355138153.db2.gz TVPFDMNVSXZUMH-UHFFFAOYSA-N 0 1 319.321 1.336 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCNCC2(C)C)ccc1[N+](=O)[O-] ZINC000592373320 355569672 /nfs/dbraw/zinc/56/96/72/355569672.db2.gz ZQNKDUWHHZNQAY-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN Cn1cc[nH+]c1[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000592978924 355761172 /nfs/dbraw/zinc/76/11/72/355761172.db2.gz OBCLXBAZMVCWMQ-SECBINFHSA-N 0 1 317.305 1.415 20 5 DDBDMN CC[C@H](C)C[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000592876219 355728318 /nfs/dbraw/zinc/72/83/18/355728318.db2.gz XNAFIIRVOWNWJL-UWVGGRQHSA-N 0 1 320.349 1.998 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC(C3(O)CC3)CC2)c1[N+](=O)[O-] ZINC000593770478 355991591 /nfs/dbraw/zinc/99/15/91/355991591.db2.gz ROPBMEICAVPZKR-UHFFFAOYSA-N 0 1 322.365 1.648 20 5 DDBDMN CCc1[nH]nc(C(=O)N2C[C@@H](CC)OC[C@H]2CC)c1[N+](=O)[O-] ZINC000593791635 355996025 /nfs/dbraw/zinc/99/60/25/355996025.db2.gz WNWBAPVUDBECPA-NXEZZACHSA-N 0 1 310.354 1.910 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN[C@@H](CO)CCF)OCCO2 ZINC000593689776 355968739 /nfs/dbraw/zinc/96/87/39/355968739.db2.gz ROVJEEMMKQELBA-SNVBAGLBSA-N 0 1 300.286 1.176 20 5 DDBDMN O=[N+]([O-])c1cnccc1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000594599690 356260847 /nfs/dbraw/zinc/26/08/47/356260847.db2.gz NJOZULVXBCAIIC-CYBMUJFWSA-N 0 1 306.366 1.681 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CCC(F)(F)CC1 ZINC000594766542 356311573 /nfs/dbraw/zinc/31/15/73/356311573.db2.gz MNLBFAZWKNOLSJ-UHFFFAOYSA-N 0 1 321.305 1.846 20 5 DDBDMN C[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])CS1 ZINC000594784206 356315683 /nfs/dbraw/zinc/31/56/83/356315683.db2.gz PDNIRALZXKEJJA-YUMQZZPRSA-N 0 1 303.365 1.162 20 5 DDBDMN CN(C)S(=O)(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565215254 304054406 /nfs/dbraw/zinc/05/44/06/304054406.db2.gz AELGYJDBKOGELK-LBPRGKRZSA-N 0 1 313.379 1.063 20 5 DDBDMN CN(Cc1cnc[nH]1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595590628 356565339 /nfs/dbraw/zinc/56/53/39/356565339.db2.gz AAKQOSWJLIPPIE-AWEZNQCLSA-N 0 1 315.333 1.555 20 5 DDBDMN COc1ccc(OCCN2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595756416 356639048 /nfs/dbraw/zinc/63/90/48/356639048.db2.gz GJXQWCQHLPXKMF-XHDPSFHLSA-N 0 1 308.334 1.439 20 5 DDBDMN C[C@H](CN1CCN(C)CC1)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000596124584 356782316 /nfs/dbraw/zinc/78/23/16/356782316.db2.gz ZFPZINVOHHATHV-SNVBAGLBSA-N 0 1 313.789 1.113 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598223061 357498447 /nfs/dbraw/zinc/49/84/47/357498447.db2.gz FKVLVLKQIAOGLK-YMTOWFKASA-N 0 1 308.338 1.550 20 5 DDBDMN COCc1nc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)n[nH]1 ZINC000598055333 357447295 /nfs/dbraw/zinc/44/72/95/357447295.db2.gz QUDKGLCAOISAAG-UHFFFAOYSA-N 0 1 305.294 1.098 20 5 DDBDMN COCc1nnc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH]1 ZINC000598055333 357447301 /nfs/dbraw/zinc/44/73/01/357447301.db2.gz QUDKGLCAOISAAG-UHFFFAOYSA-N 0 1 305.294 1.098 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]2COC[C@H]2C1 ZINC000598396064 357564042 /nfs/dbraw/zinc/56/40/42/357564042.db2.gz QXZSRUUFCIMWJZ-VHSXEESVSA-N 0 1 316.317 1.580 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@H](C)[C@@](C)(CO)C2)c1[N+](=O)[O-] ZINC000598447540 357586065 /nfs/dbraw/zinc/58/60/65/357586065.db2.gz JJABOVOGLTWVOL-LKFCYVNXSA-N 0 1 310.354 1.361 20 5 DDBDMN COC(=O)c1ccnc(N[C@@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000598624350 357659266 /nfs/dbraw/zinc/65/92/66/357659266.db2.gz BHKMXMSZZDYZKC-LURJTMIESA-N 0 1 306.282 1.376 20 5 DDBDMN C[C@H]1CCCN1C(=O)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788940 283277736 /nfs/dbraw/zinc/27/77/36/283277736.db2.gz KMUVNKVVGLDORD-LBPRGKRZSA-N 0 1 318.377 1.749 20 5 DDBDMN COC(=O)[C@]1(OC)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000599565998 357975711 /nfs/dbraw/zinc/97/57/11/357975711.db2.gz BBUPFEQEEALGLH-HNNXBMFYSA-N 0 1 324.333 1.238 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632391 357998717 /nfs/dbraw/zinc/99/87/17/357998717.db2.gz IIXWGNIOZSORMD-IFMYKAFSSA-N 0 1 324.402 1.959 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1COCCN1 ZINC000599601364 357989159 /nfs/dbraw/zinc/98/91/59/357989159.db2.gz PYBBBSCKELFUDX-NSHDSACASA-N 0 1 308.338 1.322 20 5 DDBDMN CCOC(=O)CN(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180437598 199159416 /nfs/dbraw/zinc/15/94/16/199159416.db2.gz SWAYGLMQLKYRJG-NSHDSACASA-N 0 1 323.349 1.267 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC23CCC(CC2)CC3)n1 ZINC000600668730 358277386 /nfs/dbraw/zinc/27/73/86/358277386.db2.gz PTVHBCFRVUNJJY-UHFFFAOYSA-N 0 1 314.367 1.329 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](OC)(C(=O)[O-])C1 ZINC000600675256 358279535 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1.713 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CN(C)CCN1C ZINC000275543584 408595028 /nfs/dbraw/zinc/59/50/28/408595028.db2.gz QSMHCDNDPOAZEW-ZDUSSCGKSA-N 0 1 321.381 1.271 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274797097 408535703 /nfs/dbraw/zinc/53/57/03/408535703.db2.gz ZSUSEYMNEPEXGK-CHWSQXEVSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@H](O)C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000265416055 408642170 /nfs/dbraw/zinc/64/21/70/408642170.db2.gz OLEBVGYIKMLPBY-VIFPVBQESA-N 0 1 318.333 1.704 20 5 DDBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(C2CCC2)n[nH]1 ZINC000184558715 408642622 /nfs/dbraw/zinc/64/26/22/408642622.db2.gz HXSDNTMKBRMFOR-UHFFFAOYSA-N 0 1 317.305 1.998 20 5 DDBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1n[nH]c(C2CCC2)n1 ZINC000184558715 408642626 /nfs/dbraw/zinc/64/26/26/408642626.db2.gz HXSDNTMKBRMFOR-UHFFFAOYSA-N 0 1 317.305 1.998 20 5 DDBDMN Cc1c(CC(=O)N2CCN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000270952612 408756900 /nfs/dbraw/zinc/75/69/00/408756900.db2.gz VTIMFMCNPPMZNF-UHFFFAOYSA-N 0 1 305.378 1.998 20 5 DDBDMN C[C@@H](C[S@](C)=O)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000185126336 408764473 /nfs/dbraw/zinc/76/44/73/408764473.db2.gz NDDLCHFPWBEEST-YBTHPKLGSA-N 0 1 300.380 1.672 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc([O-])c1[N+](=O)[O-] ZINC000280932307 408861108 /nfs/dbraw/zinc/86/11/08/408861108.db2.gz KPMBMRRCOVYFRE-VXGBXAGGSA-N 0 1 305.334 1.657 20 5 DDBDMN CCN1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280976756 408868391 /nfs/dbraw/zinc/86/83/91/408868391.db2.gz MUAOQXKJRJYCOB-UHFFFAOYSA-N 0 1 303.322 1.386 20 5 DDBDMN CN(CCC(N)=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000286262195 408952139 /nfs/dbraw/zinc/95/21/39/408952139.db2.gz BGJVFMOEJFBQEM-UHFFFAOYSA-N 0 1 316.155 1.665 20 5 DDBDMN O=C1C[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CN1 ZINC000278837663 409098443 /nfs/dbraw/zinc/09/84/43/409098443.db2.gz IXLDDXANPCURAC-AWEZNQCLSA-N 0 1 309.753 1.960 20 5 DDBDMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000279166691 409161677 /nfs/dbraw/zinc/16/16/77/409161677.db2.gz GQYKMJMWTXYWGV-NSHDSACASA-N 0 1 322.365 1.248 20 5 DDBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000284140218 409283573 /nfs/dbraw/zinc/28/35/73/409283573.db2.gz VZWAQBLGKIJKHC-UHFFFAOYSA-N 0 1 310.329 1.484 20 5 DDBDMN COc1cc(CN2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000280278902 409283714 /nfs/dbraw/zinc/28/37/14/409283714.db2.gz NDXFOGUXZVXWEV-OAHLLOKOSA-N 0 1 323.349 1.309 20 5 DDBDMN CO[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000295978839 409389392 /nfs/dbraw/zinc/38/93/92/409389392.db2.gz KWWSZAMVLJDHSQ-AWEZNQCLSA-N 0 1 321.377 1.941 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(C(=O)NC)C1 ZINC000280541775 409349911 /nfs/dbraw/zinc/34/99/11/409349911.db2.gz DKSFFOWVIGTSKP-INIZCTEOSA-N 0 1 321.377 1.952 20 5 DDBDMN Nc1ccc(-c2noc([C@@H]3C[C@H]3c3nc[nH]n3)n2)cc1[N+](=O)[O-] ZINC000349915042 164108813 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305.294 1.602 20 5 DDBDMN Cc1[nH]nc2cc(NC(=O)c3c([N+](=O)[O-])cnn3C)ccc12 ZINC000354989803 410223142 /nfs/dbraw/zinc/22/31/42/410223142.db2.gz IKMJYUFDZWEUTA-UHFFFAOYSA-N 0 1 300.278 1.765 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343432242 410449330 /nfs/dbraw/zinc/44/93/30/410449330.db2.gz KLEQWZGKIDVONH-GXFFZTMASA-N 0 1 307.350 1.816 20 5 DDBDMN COc1ccc(CNC(=O)NCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000298942733 410458072 /nfs/dbraw/zinc/45/80/72/410458072.db2.gz QVCQJTHIQXDLNL-UHFFFAOYSA-N 0 1 319.321 1.634 20 5 DDBDMN O=C(NCc1cccc(-n2ccnc2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000343402682 410422953 /nfs/dbraw/zinc/42/29/53/410422953.db2.gz XOAIIJBCKKVEDQ-UHFFFAOYSA-N 0 1 312.289 1.434 20 5 DDBDMN O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1[n-]ncc1[N+](=O)[O-] ZINC000343402682 410422958 /nfs/dbraw/zinc/42/29/58/410422958.db2.gz XOAIIJBCKKVEDQ-UHFFFAOYSA-N 0 1 312.289 1.434 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343432246 410448440 /nfs/dbraw/zinc/44/84/40/410448440.db2.gz KLEQWZGKIDVONH-ZWNOBZJWSA-N 0 1 307.350 1.816 20 5 DDBDMN COCCN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355588309 410594782 /nfs/dbraw/zinc/59/47/82/410594782.db2.gz VTNBAGYKRUZOSH-UHFFFAOYSA-N 0 1 312.322 1.225 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNc1ncnc2[nH]cnc21 ZINC000301122566 410662149 /nfs/dbraw/zinc/66/21/49/410662149.db2.gz SQMDKOQSTXZNEL-UHFFFAOYSA-N 0 1 300.278 1.882 20 5 DDBDMN O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331375914 411072630 /nfs/dbraw/zinc/07/26/30/411072630.db2.gz GTVCSJZBFLPHSJ-SNVBAGLBSA-N 0 1 305.334 1.515 20 5 DDBDMN CC(C)N1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000356511595 298812296 /nfs/dbraw/zinc/81/22/96/298812296.db2.gz LAHOVUBYRRDPLA-JTQLQIEISA-N 0 1 307.306 1.040 20 5 DDBDMN CC(C)c1nc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cs1 ZINC000130990895 196129194 /nfs/dbraw/zinc/12/91/94/196129194.db2.gz PTWJCRGJIFITLP-UHFFFAOYSA-N 0 1 309.351 1.870 20 5 DDBDMN CCNC(=O)CN(CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000133506967 196329977 /nfs/dbraw/zinc/32/99/77/196329977.db2.gz YLFKLMIENQWXEW-UHFFFAOYSA-N 0 1 322.365 1.381 20 5 DDBDMN C[C@@H]1c2ccccc2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000361044804 418572761 /nfs/dbraw/zinc/57/27/61/418572761.db2.gz JPOHSSPNVXSZEB-BXUZGUMPSA-N 0 1 302.334 1.729 20 5 DDBDMN O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](O)c3ccccc3C2)n1 ZINC000374923939 418580416 /nfs/dbraw/zinc/58/04/16/418580416.db2.gz FZOMWTIMBLQMSM-AWEZNQCLSA-N 0 1 302.334 1.731 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)c3ccccc3C2)n1 ZINC000374923939 418580419 /nfs/dbraw/zinc/58/04/19/418580419.db2.gz FZOMWTIMBLQMSM-AWEZNQCLSA-N 0 1 302.334 1.731 20 5 DDBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1csc([N+](=O)[O-])c1 ZINC000356112544 418649166 /nfs/dbraw/zinc/64/91/66/418649166.db2.gz LWYUONPAPXWPSZ-UHFFFAOYSA-N 0 1 315.314 2.489 20 5 DDBDMN NC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000375399741 418635346 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CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC(=O)N1 ZINC000433199776 229172738 /nfs/dbraw/zinc/17/27/38/229172738.db2.gz FBCGELZESQCFJL-LBPRGKRZSA-N 0 1 307.350 1.752 20 5 DDBDMN COc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000429419463 420016818 /nfs/dbraw/zinc/01/68/18/420016818.db2.gz QZHZDEBQCHZHRZ-AOOOYVTPSA-N 0 1 323.349 1.434 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CNC(C)=O)C1 ZINC000430223275 420091968 /nfs/dbraw/zinc/09/19/68/420091968.db2.gz UTNXCKNUATZBHW-CYBMUJFWSA-N 0 1 321.377 1.952 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000430226204 420092690 /nfs/dbraw/zinc/09/26/90/420092690.db2.gz MSQGDHJVRYWODF-JQWIXIFHSA-N 0 1 307.350 1.689 20 5 DDBDMN CN(Cc1n[nH]c(=O)o1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000425285661 420339870 /nfs/dbraw/zinc/33/98/70/420339870.db2.gz SZDQTGWWCQVFPN-UHFFFAOYSA-N 0 1 316.220 1.921 20 5 DDBDMN CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000436963206 420386908 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DDBDMN Cn1ccnc1[C@@H]([NH2+]CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000821305359 597664872 /nfs/dbraw/zinc/66/48/72/597664872.db2.gz ZGPCDVMBEDCNHO-ZDUSSCGKSA-N 0 1 304.306 1.482 20 5 DDBDMN CC(=O)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)[O-] ZINC000819780529 597675877 /nfs/dbraw/zinc/67/58/77/597675877.db2.gz JDRHNQYAJREUAN-SNVBAGLBSA-N 0 1 309.322 1.006 20 5 DDBDMN C/C(=C\C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)[O-] ZINC000825734366 601168588 /nfs/dbraw/zinc/16/85/88/601168588.db2.gz ILSGKUZKUPWAKL-LLMHMKPQSA-N 0 1 306.322 1.507 20 5 DDBDMN Cc1nn(C[N@H+](CCC(=O)[O-])C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000833016719 601398572 /nfs/dbraw/zinc/39/85/72/601398572.db2.gz DBDDZSLQDQNKCS-UHFFFAOYSA-N 0 1 321.337 1.791 20 5 DDBDMN Cc1nn(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000833016804 602199190 /nfs/dbraw/zinc/19/91/90/602199190.db2.gz IBUOXCJPQZOJQR-RNCFNFMXSA-N 0 1 318.333 1.863 20 5 DDBDMN CC1CC[NH+](CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 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/nfs/dbraw/zinc/43/28/86/408432886.db2.gz MTAFWCKLAXAKQQ-UHFFFAOYSA-N 0 1 306.278 1.265 20 5 DDBDMN CC(C)C[C@H](CO)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000274743952 408517734 /nfs/dbraw/zinc/51/77/34/408517734.db2.gz MAPRBOITUDDYGN-SNVBAGLBSA-N 0 1 312.370 1.920 20 5 DDBDMN CCOC(=O)[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274759164 408522863 /nfs/dbraw/zinc/52/28/63/408522863.db2.gz JLUBKFZOBAICKR-GFCCVEGCSA-N 0 1 308.290 1.468 20 5 DDBDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000161548318 408615771 /nfs/dbraw/zinc/61/57/71/408615771.db2.gz LJWPNUZRMGJTQS-VIFPVBQESA-N 0 1 317.349 1.878 20 5 DDBDMN CCC[C@H]1C(=O)NCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000270880701 408722787 /nfs/dbraw/zinc/72/27/87/408722787.db2.gz OIYBXQUTLMLVOR-VIFPVBQESA-N 0 1 323.353 1.182 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000281965610 408962466 /nfs/dbraw/zinc/96/24/66/408962466.db2.gz IVOPFQVAAOFAGE-NSHDSACASA-N 0 1 318.337 1.727 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000286439794 408985322 /nfs/dbraw/zinc/98/53/22/408985322.db2.gz RHGYCSLEBISXTJ-ZETCQYMHSA-N 0 1 304.310 1.403 20 5 DDBDMN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293577701 409141332 /nfs/dbraw/zinc/14/13/32/409141332.db2.gz DTVWGVIYPZBLFM-SSDOTTSWSA-N 0 1 320.271 1.506 20 5 DDBDMN COC(=O)C(C)(C)CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000288422577 409166692 /nfs/dbraw/zinc/16/66/92/409166692.db2.gz MNBJWVVLGPLBBY-UHFFFAOYSA-N 0 1 316.335 1.536 20 5 DDBDMN CN(CCC(N)=O)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293720807 409168507 /nfs/dbraw/zinc/16/85/07/409168507.db2.gz YKXBLGAGFGXRMU-UHFFFAOYSA-N 0 1 305.256 1.921 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000279254322 409179993 /nfs/dbraw/zinc/17/99/93/409179993.db2.gz ICNAKNGHZBWBDD-LLHLLMPMSA-N 0 1 324.337 1.035 20 5 DDBDMN O=[N+]([O-])c1cnc(N[C@@H](CO)CN2CCCCC2)c(Cl)c1 ZINC000289189712 409230848 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C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000331464131 409537415 /nfs/dbraw/zinc/53/74/15/409537415.db2.gz HGTNUXYZTHXKSQ-DVYJOKAKSA-N 0 1 319.317 1.040 20 5 DDBDMN CCN1C[C@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345170674 409656974 /nfs/dbraw/zinc/65/69/74/409656974.db2.gz IVKJNMOZGWWJKW-QWRGUYRKSA-N 0 1 306.366 1.613 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000356881924 409685093 /nfs/dbraw/zinc/68/50/93/409685093.db2.gz PEFAAVVSPYXNIO-NXEZZACHSA-N 0 1 309.370 1.435 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331676260 409758840 /nfs/dbraw/zinc/75/88/40/409758840.db2.gz QXTXENCLDGGEHC-UHFFFAOYSA-N 0 1 318.337 1.229 20 5 DDBDMN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000317766395 409871214 /nfs/dbraw/zinc/87/12/14/409871214.db2.gz ATWSPEYRKHBZCD-TZMCWYRMSA-N 0 1 307.350 1.429 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332252160 410016330 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Cc1c(CC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000330628564 410837751 /nfs/dbraw/zinc/83/77/51/410837751.db2.gz LSAIBLVRRMKWLC-STQMWFEESA-N 0 1 305.378 1.997 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2n[nH]c(C)n2)c1 ZINC000360116136 411053438 /nfs/dbraw/zinc/05/34/38/411053438.db2.gz GVVAOYLOTLYEIR-UHFFFAOYSA-N 0 1 305.294 1.463 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCCc2nnc(C)[nH]2)c1 ZINC000360116136 411053446 /nfs/dbraw/zinc/05/34/46/411053446.db2.gz GVVAOYLOTLYEIR-UHFFFAOYSA-N 0 1 305.294 1.463 20 5 DDBDMN CC(C)c1nc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000580284330 422910527 /nfs/dbraw/zinc/91/05/27/422910527.db2.gz JXPVVPUGPGHPFP-UHFFFAOYSA-N 0 1 318.337 1.836 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362055742 418745672 /nfs/dbraw/zinc/74/56/72/418745672.db2.gz NHJIIEZLYDTUFR-KGYLQXTDSA-N 0 1 321.377 1.790 20 5 DDBDMN NC(=O)c1ccc(CN2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000373239740 418933191 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CNc1nc(C(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000455769009 421059506 /nfs/dbraw/zinc/05/95/06/421059506.db2.gz YJEWQDICMWXPSA-SNVBAGLBSA-N 0 1 307.354 1.198 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456371965 421152697 /nfs/dbraw/zinc/15/26/97/421152697.db2.gz GYQSSCGUSBTQHN-NSHDSACASA-N 0 1 323.397 1.998 20 5 DDBDMN C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+](C)C ZINC000490036326 421185756 /nfs/dbraw/zinc/18/57/56/421185756.db2.gz GTDUOEOZLLLKGO-QMMMGPOBSA-N 0 1 307.397 1.132 20 5 DDBDMN C[C@H](CO)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450342112 421186225 /nfs/dbraw/zinc/18/62/25/421186225.db2.gz QATXQGRCPYPCEL-SECBINFHSA-N 0 1 304.306 1.438 20 5 DDBDMN CCN(CCNc1ncc([N+](=O)[O-])c(C)n1)CCC(F)(F)F ZINC000450487082 421202539 /nfs/dbraw/zinc/20/25/39/421202539.db2.gz MNZQSBQNAZLYOO-UHFFFAOYSA-N 0 1 321.303 2.379 20 5 DDBDMN CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496691221 421299679 /nfs/dbraw/zinc/29/96/79/421299679.db2.gz MYSJIVOIUBRROE-NXEZZACHSA-N 0 1 301.343 1.073 20 5 DDBDMN CC[C@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000560615616 421284526 /nfs/dbraw/zinc/28/45/26/421284526.db2.gz NXVNJBUIVGWGDY-AWEZNQCLSA-N 0 1 321.377 1.987 20 5 DDBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000517161070 421597210 /nfs/dbraw/zinc/59/72/10/421597210.db2.gz NVZUVANFQCLOMG-HNNXBMFYSA-N 0 1 308.334 1.908 20 5 DDBDMN CN(CC[C@H]1CCCC[N@H+]1C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000519606711 421707512 /nfs/dbraw/zinc/70/75/12/421707512.db2.gz NWXGNEDVSNBJCT-GFCCVEGCSA-N 0 1 322.365 1.999 20 5 DDBDMN CNc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000571431988 421714651 /nfs/dbraw/zinc/71/46/51/421714651.db2.gz CGBCXKVEHNLLOE-UHFFFAOYSA-N 0 1 316.321 1.564 20 5 DDBDMN COC1([C@H](C(=O)[O-])[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000571453711 421717242 /nfs/dbraw/zinc/71/72/42/421717242.db2.gz ZNWMVVVDASFFDG-AWEZNQCLSA-N 0 1 320.345 1.975 20 5 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CGIUFUXULVFBKL-WCQYABFASA-N 0 1 310.329 1.164 20 5 DDBDMN C[C@@H](CC[S@@](C)=O)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602566018 359047268 /nfs/dbraw/zinc/04/72/68/359047268.db2.gz CMKDDEAYMXZFJN-JLTPVHFHSA-N 0 1 311.363 1.983 20 5 DDBDMN CCC(=O)N[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602770893 359178294 /nfs/dbraw/zinc/17/82/94/359178294.db2.gz ZQTXUZYMLRJDHL-GFCCVEGCSA-N 0 1 309.370 1.090 20 5 DDBDMN CC(C)c1ccc(CN2CCN(C)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000602716948 359145565 /nfs/dbraw/zinc/14/55/65/359145565.db2.gz VZYGJYPHRFUOEA-AWEZNQCLSA-N 0 1 307.394 1.827 20 5 DDBDMN Cn1cc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)c([N+](=O)[O-])n1 ZINC000602891251 359274053 /nfs/dbraw/zinc/27/40/53/359274053.db2.gz GXUGTXGFKWZRFU-LBPRGKRZSA-N 0 1 305.342 1.147 20 5 DDBDMN Cn1cc(CN2CCC[C@H](n3ccnn3)CC2)c([N+](=O)[O-])n1 ZINC000602891251 359274057 /nfs/dbraw/zinc/27/40/57/359274057.db2.gz GXUGTXGFKWZRFU-LBPRGKRZSA-N 0 1 305.342 1.147 20 5 DDBDMN CN1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000603431022 359636016 /nfs/dbraw/zinc/63/60/16/359636016.db2.gz JJBNBJVQSHETAA-UHFFFAOYSA-N 0 1 306.366 1.830 20 5 DDBDMN COCCNC(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603445393 359640064 /nfs/dbraw/zinc/64/00/64/359640064.db2.gz MQHUKMVPDWQBQV-UHFFFAOYSA-N 0 1 321.377 1.569 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000188688284 200287479 /nfs/dbraw/zinc/28/74/79/200287479.db2.gz OSJCNIZGLJEERF-GFCCVEGCSA-N 0 1 321.377 1.512 20 5 DDBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[nH]1 ZINC000609138303 360265166 /nfs/dbraw/zinc/26/51/66/360265166.db2.gz XHWIHSLJVXDKHL-UHFFFAOYSA-N 0 1 305.250 1.045 20 5 DDBDMN Cn1ncc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1C(F)F ZINC000611143829 360637112 /nfs/dbraw/zinc/63/71/12/360637112.db2.gz RZUDCTLNLQRXOY-UHFFFAOYSA-N 0 1 312.236 1.503 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000611558885 360760384 /nfs/dbraw/zinc/76/03/84/360760384.db2.gz YRYQDDHWZGBHJS-KBPBESRZSA-N 0 1 322.317 1.320 20 5 DDBDMN O=[N+]([O-])c1ccc2ncnc(N3CCN(CCCO)CC3)c2c1 ZINC000611711743 360802285 /nfs/dbraw/zinc/80/22/85/360802285.db2.gz YUNIFTKUSMNZFZ-UHFFFAOYSA-N 0 1 317.349 1.042 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN(CCO)C1CCOCC1 ZINC000275461291 212348564 /nfs/dbraw/zinc/34/85/64/212348564.db2.gz BWLGWJFJSMCASL-UHFFFAOYSA-N 0 1 310.350 1.577 20 5 DDBDMN CCC[C@H]1CNCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000359225879 299364869 /nfs/dbraw/zinc/36/48/69/299364869.db2.gz UFLRTAVYXINXMT-LBPRGKRZSA-N 0 1 306.366 1.607 20 5 DDBDMN NCc1cc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)ccn1 ZINC000566249527 304133558 /nfs/dbraw/zinc/13/35/58/304133558.db2.gz VMANOIOGFZZYKK-UHFFFAOYSA-N 0 1 313.317 1.042 20 5 DDBDMN C[C@H]1c2ccsc2CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266382012 205304396 /nfs/dbraw/zinc/30/43/96/205304396.db2.gz AYSUYPNZTOOVQW-JQWIXIFHSA-N 0 1 322.390 1.833 20 5 DDBDMN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269108464 207247567 /nfs/dbraw/zinc/24/75/67/207247567.db2.gz CJPKBLDUGZXXKN-SNVBAGLBSA-N 0 1 322.317 1.716 20 5 DDBDMN CC(C)C[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270184168 208246123 /nfs/dbraw/zinc/24/61/23/208246123.db2.gz CSNIBIZSUABIDC-SECBINFHSA-N 0 1 306.322 1.608 20 5 DDBDMN CCN1C(=O)C(C)(C)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000414192110 285150814 /nfs/dbraw/zinc/15/08/14/285150814.db2.gz LYLAMGBYNLIXOJ-LBPRGKRZSA-N 0 1 309.322 1.538 20 5 DDBDMN CC(C)C(=O)NCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000157498804 197192302 /nfs/dbraw/zinc/19/23/02/197192302.db2.gz PCJVMRFPBCKNCU-UHFFFAOYSA-N 0 1 309.366 1.678 20 5 DDBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185873609 285199715 /nfs/dbraw/zinc/19/97/15/285199715.db2.gz BZOVRCLFRCJCLQ-GFCCVEGCSA-N 0 1 307.350 1.905 20 5 DDBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000155392351 197050809 /nfs/dbraw/zinc/05/08/09/197050809.db2.gz OQRCQNIWMKXKQK-VXGBXAGGSA-N 0 1 307.350 1.525 20 5 DDBDMN COc1cc(C(=O)N2CCCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000294409919 533517967 /nfs/dbraw/zinc/51/79/67/533517967.db2.gz QARCCAKRWKGESV-UHFFFAOYSA-N 0 1 311.313 1.520 20 5 DDBDMN Cc1ccc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000440801437 292176011 /nfs/dbraw/zinc/17/60/11/292176011.db2.gz ALIUUAAPAJQYJC-GHMZBOCLSA-N 0 1 313.379 1.274 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1C(N)=O ZINC000068369196 406636742 /nfs/dbraw/zinc/63/67/42/406636742.db2.gz HJCFPSSDWGSHHR-CYBMUJFWSA-N 0 1 320.349 1.182 20 5 DDBDMN O=C(NCCCCN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046750377 407062948 /nfs/dbraw/zinc/06/29/48/407062948.db2.gz DXFZQNNBBJWDEN-UHFFFAOYSA-N 0 1 322.365 1.829 20 5 DDBDMN COC(=O)[C@@H](C)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068083276 407294491 /nfs/dbraw/zinc/29/44/91/407294491.db2.gz NANWCFGFYXPVBI-QMMMGPOBSA-N 0 1 320.305 1.352 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCN(C)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000185706295 407480381 /nfs/dbraw/zinc/48/03/81/407480381.db2.gz MLBHCVWKULZFMP-NSHDSACASA-N 0 1 309.370 1.293 20 5 DDBDMN C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185725314 407486799 /nfs/dbraw/zinc/48/67/99/407486799.db2.gz ULPXXBLXQSENTR-KOLCDFICSA-N 0 1 308.338 1.108 20 5 DDBDMN C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185725314 407486804 /nfs/dbraw/zinc/48/68/04/407486804.db2.gz ULPXXBLXQSENTR-KOLCDFICSA-N 0 1 308.338 1.108 20 5 DDBDMN CCOc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000271172146 407553199 /nfs/dbraw/zinc/55/31/99/407553199.db2.gz UKOQQQDONJIREQ-ZYHUDNBSSA-N 0 1 307.350 1.875 20 5 DDBDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114188013 407550278 /nfs/dbraw/zinc/55/02/78/407550278.db2.gz FXFZWVBSSBXKJX-DZGCQCFKSA-N 0 1 321.377 1.819 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000272129019 407784294 /nfs/dbraw/zinc/78/42/94/407784294.db2.gz RUHBJWSUQULYSL-NXEZZACHSA-N 0 1 310.354 1.495 20 5 DDBDMN Cc1nn(C)c(C)c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272525266 407961357 /nfs/dbraw/zinc/96/13/57/407961357.db2.gz LVGZRLCVOLPKML-UHFFFAOYSA-N 0 1 304.306 1.581 20 5 DDBDMN Cc1ccc2nc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000174865359 407998761 /nfs/dbraw/zinc/99/87/61/407998761.db2.gz IUIQQIGMQHGEDY-UHFFFAOYSA-N 0 1 314.305 1.292 20 5 DDBDMN COc1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(Cl)c1 ZINC000154839225 408094542 /nfs/dbraw/zinc/09/45/42/408094542.db2.gz OOBUATHFFHCNDL-UHFFFAOYSA-N 0 1 324.724 1.952 20 5 DDBDMN CN(CCCNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1F ZINC000137488737 408156597 /nfs/dbraw/zinc/15/65/97/408156597.db2.gz ZLONZSNJFFIWKF-UHFFFAOYSA-N 0 1 321.312 1.713 20 5 DDBDMN O=C(NCc1csc(-c2ccco2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000156210864 408245160 /nfs/dbraw/zinc/24/51/60/408245160.db2.gz TYPRQCMZASVLJG-UHFFFAOYSA-N 0 1 319.302 1.964 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCC[C@H]1O ZINC000246751975 408332810 /nfs/dbraw/zinc/33/28/10/408332810.db2.gz OOWAGRPRUYSLNB-SWLSCSKDSA-N 0 1 321.377 1.935 20 5 DDBDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173541947 162347464 /nfs/dbraw/zinc/34/74/64/162347464.db2.gz GJWRKIAQVCEZEK-OAHLLOKOSA-N 0 1 321.377 1.364 20 5 DDBDMN C[C@H](CN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000183396785 408398396 /nfs/dbraw/zinc/39/83/96/408398396.db2.gz UCTOBWIZMBYLSP-SSDOTTSWSA-N 0 1 324.728 1.637 20 5 DDBDMN CCN(CC(=O)OC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264217403 408407962 /nfs/dbraw/zinc/40/79/62/408407962.db2.gz VEQDODNKIKVMIM-UHFFFAOYSA-N 0 1 306.278 1.106 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c1[N+](=O)[O-] ZINC000274541791 408442034 /nfs/dbraw/zinc/44/20/34/408442034.db2.gz SKFVKKXWDJAPET-IJSAXESFSA-N 0 1 316.383 1.280 20 5 DDBDMN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191647029 408464242 /nfs/dbraw/zinc/46/42/42/408464242.db2.gz XXCHNHFZLGYWLR-NWDGAFQWSA-N 0 1 321.381 1.510 20 5 DDBDMN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270727680 408656481 /nfs/dbraw/zinc/65/64/81/408656481.db2.gz FRHDRUQQKXAMRP-JOYOIKCWSA-N 0 1 304.306 1.560 20 5 DDBDMN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000275760695 408670928 /nfs/dbraw/zinc/67/09/28/408670928.db2.gz FNCVQJLXXYEIOE-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN CCC[N@H+](CC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000184914607 408715157 /nfs/dbraw/zinc/71/51/57/408715157.db2.gz PMBOSLBWPVMUGT-CYBMUJFWSA-N 0 1 321.333 1.497 20 5 DDBDMN CCC[N@@H+](CC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000184914607 408715163 /nfs/dbraw/zinc/71/51/63/408715163.db2.gz PMBOSLBWPVMUGT-CYBMUJFWSA-N 0 1 321.333 1.497 20 5 DDBDMN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000251665686 408784225 /nfs/dbraw/zinc/78/42/25/408784225.db2.gz LGRKVBSWWMXUKK-MNOVXSKESA-N 0 1 322.365 1.546 20 5 DDBDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000251665686 408784229 /nfs/dbraw/zinc/78/42/29/408784229.db2.gz LGRKVBSWWMXUKK-MNOVXSKESA-N 0 1 322.365 1.546 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[N@H+](C2CC2)CC1 ZINC000178218066 408789800 /nfs/dbraw/zinc/78/98/00/408789800.db2.gz NRXSMSFCIMYJKV-UHFFFAOYSA-N 0 1 305.334 1.611 20 5 DDBDMN COC[C@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000265756982 408772280 /nfs/dbraw/zinc/77/22/80/408772280.db2.gz GITOOJMKOJQUNZ-NEPJUHHUSA-N 0 1 307.350 1.890 20 5 DDBDMN CC[C@@H](CO)N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000276421487 408853330 /nfs/dbraw/zinc/85/33/30/408853330.db2.gz IQKMDHXFORTLFB-LBPRGKRZSA-N 0 1 320.393 1.456 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(NCCCCN3CCOCC3)nc2c1 ZINC000277482124 408948677 /nfs/dbraw/zinc/94/86/77/408948677.db2.gz CPBJAKVASZEQCQ-UHFFFAOYSA-N 0 1 319.365 1.995 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CC=CCC1 ZINC000280213286 409270675 /nfs/dbraw/zinc/27/06/75/409270675.db2.gz KUGLJSVMVKDTCZ-UHFFFAOYSA-N 0 1 304.350 1.385 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000318794677 164033048 /nfs/dbraw/zinc/03/30/48/164033048.db2.gz ZXMHEYXTZYHEQL-JTQLQIEISA-N 0 1 307.354 1.128 20 5 DDBDMN C[C@@H]1CS(=O)(=O)C[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000342431192 409625028 /nfs/dbraw/zinc/62/50/28/409625028.db2.gz RJVICLHKDOJXOI-YJLKIPLNSA-N 0 1 310.375 1.631 20 5 DDBDMN C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000354511784 409907695 /nfs/dbraw/zinc/90/76/95/409907695.db2.gz NSVFNPHUOUIKOL-UHFFFAOYSA-N 0 1 323.397 1.069 20 5 DDBDMN O=C(NC1(c2nn[nH]n2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000357093499 409868472 /nfs/dbraw/zinc/86/84/72/409868472.db2.gz DYDIHONVLLCXHU-UHFFFAOYSA-N 0 1 313.277 1.008 20 5 DDBDMN COCCCNC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338383396 409949691 /nfs/dbraw/zinc/94/96/91/409949691.db2.gz RGMVDNZMULMPLJ-CYBMUJFWSA-N 0 1 323.393 1.610 20 5 DDBDMN C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000332246172 410009154 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DDBDMN Cc1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000344369974 411096700 /nfs/dbraw/zinc/09/67/00/411096700.db2.gz XPGYLFJQUGYZEE-CYBMUJFWSA-N 0 1 312.391 1.960 20 5 DDBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)CN1CCO ZINC000419338961 226124321 /nfs/dbraw/zinc/12/43/21/226124321.db2.gz ZPGZCUBKBBVYRX-VXGBXAGGSA-N 0 1 311.357 1.621 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000361006284 418563988 /nfs/dbraw/zinc/56/39/88/418563988.db2.gz CHBKAXGVKDLERS-GHMZBOCLSA-N 0 1 311.386 1.011 20 5 DDBDMN Cn1cc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(F)cc2)cn1 ZINC000375403645 418634561 /nfs/dbraw/zinc/63/45/61/418634561.db2.gz MEHSTFRLLLNZRN-HZSPNIEDSA-N 0 1 318.308 1.430 20 5 DDBDMN COC(=O)[C@]12CCC[C@H]1CN(Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000367796404 418636090 /nfs/dbraw/zinc/63/60/90/418636090.db2.gz RIMFLMHQOWPCCW-HZMBPMFUSA-N 0 1 308.338 1.103 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](CO)[C@H](C)C1 ZINC000362052227 418744961 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O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3CCO)n2)c1 ZINC000426200169 419401154 /nfs/dbraw/zinc/40/11/54/419401154.db2.gz VZTAEKORWPZOBX-GFCCVEGCSA-N 0 1 318.333 1.992 20 5 DDBDMN CCc1nnc(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[nH]1 ZINC000412190506 419713934 /nfs/dbraw/zinc/71/39/34/419713934.db2.gz HQVKOYFUKLKNOP-UHFFFAOYSA-N 0 1 323.284 1.604 20 5 DDBDMN CCc1n[nH]c(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])n1 ZINC000412190506 419713942 /nfs/dbraw/zinc/71/39/42/419713942.db2.gz HQVKOYFUKLKNOP-UHFFFAOYSA-N 0 1 323.284 1.604 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N(CCO)C[C@H]2C)n1 ZINC000418994792 420040966 /nfs/dbraw/zinc/04/09/66/420040966.db2.gz IEJFYMGDEXZMRF-CHWSQXEVSA-N 0 1 308.382 1.498 20 5 DDBDMN Cc1c(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415567870 420114226 /nfs/dbraw/zinc/11/42/26/420114226.db2.gz QMGZFMMTMJKQMK-ZJUUUORDSA-N 0 1 320.349 1.051 20 5 DDBDMN O=C([C@@H]1CNCCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423720528 420140685 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CCN1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000456006772 421088851 /nfs/dbraw/zinc/08/88/51/421088851.db2.gz CCMFUHDDPZHRBU-QWRGUYRKSA-N 0 1 321.381 1.586 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cnn(C)c2C)c1[N+](=O)[O-] ZINC000548725905 421467156 /nfs/dbraw/zinc/46/71/56/421467156.db2.gz AJWAFKHZAKWALU-UHFFFAOYSA-N 0 1 320.353 1.585 20 5 DDBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)o1 ZINC000531681640 421643331 /nfs/dbraw/zinc/64/33/31/421643331.db2.gz GURUYDROZAMWFI-UHFFFAOYSA-N 0 1 314.261 1.929 20 5 DDBDMN CC[N@H+]1C[C@H](C)N(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H]1C ZINC000581886924 422061579 /nfs/dbraw/zinc/06/15/79/422061579.db2.gz XBPQTACNQQISRV-ZJUUUORDSA-N 0 1 308.338 1.607 20 5 DDBDMN CC(C)Oc1nc(NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000594576899 422350707 /nfs/dbraw/zinc/35/07/07/422350707.db2.gz IGFXNBYIKNKEDJ-UHFFFAOYSA-N 0 1 306.366 2.451 20 5 DDBDMN CC(C)Oc1nc(NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000594576899 422350711 /nfs/dbraw/zinc/35/07/11/422350711.db2.gz IGFXNBYIKNKEDJ-UHFFFAOYSA-N 0 1 306.366 2.451 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000344429308 272024165 /nfs/dbraw/zinc/02/41/65/272024165.db2.gz RFYJKANGFITYHW-STQMWFEESA-N 0 1 321.377 1.915 20 5 DDBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCS(=O)(=O)C1 ZINC000344547058 272056511 /nfs/dbraw/zinc/05/65/11/272056511.db2.gz ZPSLOIMMJBDATF-VUUYWXRKSA-N 0 1 310.375 1.775 20 5 DDBDMN Cc1cc(S(=O)(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000344942177 272141863 /nfs/dbraw/zinc/14/18/63/272141863.db2.gz NZWCMPVLPSWYKB-SNVBAGLBSA-N 0 1 301.368 1.132 20 5 DDBDMN C[C@@H]1CN(CCO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452121879 274348343 /nfs/dbraw/zinc/34/83/43/274348343.db2.gz GZWMJFQRBIJJHY-LLVKDONJSA-N 0 1 313.785 1.747 20 5 DDBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000354005081 298337140 /nfs/dbraw/zinc/33/71/40/298337140.db2.gz DWZGMRVZFRCVOQ-VIFPVBQESA-N 0 1 310.329 1.482 20 5 DDBDMN COC(=O)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(C)C ZINC000356610777 298831636 /nfs/dbraw/zinc/83/16/36/298831636.db2.gz NKISHJOEIOIGET-NSHDSACASA-N 0 1 324.333 1.866 20 5 DDBDMN COc1cccc(N2CCC[C@H](NC(=O)[C@H]3CC3[N+](=O)[O-])C2)c1 ZINC000363216971 300233139 /nfs/dbraw/zinc/23/31/39/300233139.db2.gz JRXFYIGDEHZRKI-CQDKDKBSSA-N 0 1 319.361 1.445 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CC1[N+](=O)[O-] ZINC000363620949 300288530 /nfs/dbraw/zinc/28/85/30/300288530.db2.gz ZFWAVACJSNMSCP-KWCYVHTRSA-N 0 1 307.325 1.576 20 5 DDBDMN O=C(c1ccccc1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363621137 300288626 /nfs/dbraw/zinc/28/86/26/300288626.db2.gz VGBWFUJPHDICNE-ZIAGYGMSSA-N 0 1 317.345 1.026 20 5 DDBDMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000378310170 302310354 /nfs/dbraw/zinc/31/03/54/302310354.db2.gz UHKFMKLURDJEOO-NWDGAFQWSA-N 0 1 315.333 1.146 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@H](O)C1(C)C ZINC000516192088 302786496 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CO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)[C@@H](C(=O)[O-])C1 ZINC000582914695 337217315 /nfs/dbraw/zinc/21/73/15/337217315.db2.gz FACLNOQEJTWJFA-TZMCWYRMSA-N 0 1 308.334 1.967 20 5 DDBDMN Cc1c(CN2CCC3(COC(=O)N3)CC2)cccc1[N+](=O)[O-] ZINC000495031396 533844905 /nfs/dbraw/zinc/84/49/05/533844905.db2.gz MZHJYGRTTCJMFE-UHFFFAOYSA-N 0 1 305.334 1.978 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCOC1 ZINC000299384855 534886362 /nfs/dbraw/zinc/88/63/62/534886362.db2.gz HYDISEMOLTWOKI-VIFPVBQESA-N 0 1 318.326 1.439 20 5 DDBDMN CCOc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302456822 528311351 /nfs/dbraw/zinc/31/13/51/528311351.db2.gz QPDDJNDBRQPHQA-STQMWFEESA-N 0 1 323.393 1.885 20 5 DDBDMN CCOC(=O)CC1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000299592400 528681951 /nfs/dbraw/zinc/68/19/51/528681951.db2.gz ZXNMLMQCBJSCQC-UHFFFAOYSA-N 0 1 324.337 1.432 20 5 DDBDMN O=[N+]([O-])c1cc(F)cc(Oc2nccnc2-c2nn[nH]n2)c1 ZINC000823634798 607331252 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DDBDMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000738909386 602673010 /nfs/dbraw/zinc/67/30/10/602673010.db2.gz MJOCJIWPIVABDP-SECBINFHSA-N 0 1 310.310 1.839 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)[O-])c1cccnc1 ZINC000832481814 604995023 /nfs/dbraw/zinc/99/50/23/604995023.db2.gz SZYZGQKRXUIOCK-AWEZNQCLSA-N 0 1 317.301 1.914 20 5 DDBDMN COCC[N@H+]1CC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833724843 605185004 /nfs/dbraw/zinc/18/50/04/605185004.db2.gz UUMXUDMEZSYJGU-NSHDSACASA-N 0 1 309.322 1.426 20 5 DDBDMN COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000833887855 605547618 /nfs/dbraw/zinc/54/76/18/605547618.db2.gz ZXUQBCVWAJFPEE-NSHDSACASA-N 0 1 309.322 1.788 20 5 DDBDMN O=C([O-])NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834220970 605817636 /nfs/dbraw/zinc/81/76/36/605817636.db2.gz QDNSWXXQRFSYKW-RISCZKNCSA-N 0 1 323.349 1.608 20 5 DDBDMN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccn(C)n1 ZINC000800052480 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DDBDMN Cn1cnnc1Sc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840251367 702043624 /nfs/dbraw/zinc/04/36/24/702043624.db2.gz KQCJTCBZPDRMQW-GHMZBOCLSA-N 0 1 319.346 1.570 20 5 DDBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000840672897 702196652 /nfs/dbraw/zinc/19/66/52/702196652.db2.gz ZSMMXRVICKYRLW-JHJVBQTASA-N 0 1 306.318 1.290 20 5 DDBDMN CCOc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000840673609 702197766 /nfs/dbraw/zinc/19/77/66/702197766.db2.gz VDEZJUDGTRWXSU-MWLCHTKSSA-N 0 1 310.262 1.702 20 5 DDBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N(C)c1ccccc1 ZINC000840673240 702198100 /nfs/dbraw/zinc/19/81/00/702198100.db2.gz VKCOIDODTXUTDF-MGPQQGTHSA-N 0 1 320.345 1.882 20 5 DDBDMN CCOc1ccc(C(C)=O)cc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673670 702198886 /nfs/dbraw/zinc/19/88/86/702198886.db2.gz XVAUYBBHEFPLBW-CHWSQXEVSA-N 0 1 307.302 1.996 20 5 DDBDMN COC(=O)c1cc2ccc(OC(=O)[C@@H]3CC3[N+](=O)[O-])cc2o1 ZINC000841187786 702382293 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COCC[N@@H+](CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000846271619 703259087 /nfs/dbraw/zinc/25/90/87/703259087.db2.gz MBLDQYJFPGUDST-UHFFFAOYSA-N 0 1 312.322 1.527 20 5 DDBDMN COC(=O)/C=C/c1ccc(CNCCn2cc([N+](=O)[O-])cn2)o1 ZINC000848900285 703600461 /nfs/dbraw/zinc/60/04/61/703600461.db2.gz ZXZLHLXRVOBWQP-SNAWJCMRSA-N 0 1 320.305 1.360 20 5 DDBDMN C[C@@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000849429357 703646934 /nfs/dbraw/zinc/64/69/34/703646934.db2.gz OCFZZYRPCGFHMA-VIFPVBQESA-N 0 1 319.358 1.352 20 5 DDBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000851706436 703833624 /nfs/dbraw/zinc/83/36/24/703833624.db2.gz NYAZTEPVBMIYBK-ZWNOBZJWSA-N 0 1 324.333 1.272 20 5 DDBDMN O=C1CCC2=C(CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000852298427 704001389 /nfs/dbraw/zinc/00/13/89/704001389.db2.gz ZTBKXOMUWWTWNK-OAHLLOKOSA-N 0 1 317.345 1.498 20 5 DDBDMN C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1(C)C ZINC000871155354 704232868 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Cc1cc(F)cc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000834526643 707081068 /nfs/dbraw/zinc/08/10/68/707081068.db2.gz TZNOAHYBBFNHOM-UHFFFAOYSA-N 0 1 307.325 1.820 20 5 DDBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCCc1c[nH]nn1 ZINC000835183549 707190824 /nfs/dbraw/zinc/19/08/24/707190824.db2.gz UYFAYDIELVNSML-UHFFFAOYSA-N 0 1 318.289 1.462 20 5 DDBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCCc1cnn[nH]1 ZINC000835183549 707190826 /nfs/dbraw/zinc/19/08/26/707190826.db2.gz UYFAYDIELVNSML-UHFFFAOYSA-N 0 1 318.289 1.462 20 5 DDBDMN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872039690 707283870 /nfs/dbraw/zinc/28/38/70/707283870.db2.gz UFKMKYKHPJEMKM-TVQRCGJNSA-N 0 1 308.313 1.852 20 5 DDBDMN C[C@H](NC[C@@H]1CN(C)CCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036703 707284450 /nfs/dbraw/zinc/28/44/50/707284450.db2.gz VKXWGKMFSIKDOI-NWDGAFQWSA-N 0 1 310.373 1.630 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000836948428 707553147 /nfs/dbraw/zinc/55/31/47/707553147.db2.gz RFZWPUMJJBDNNX-LLVKDONJSA-N 0 1 306.366 1.733 20 5 DDBDMN C[C@]1(CCC(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000837611470 707695779 /nfs/dbraw/zinc/69/57/79/707695779.db2.gz SRYGXKKCQBXFOQ-OAHLLOKOSA-N 0 1 322.317 1.793 20 5 DDBDMN CCN1CC[C@@H]1CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000882959938 707873371 /nfs/dbraw/zinc/87/33/71/707873371.db2.gz UNGAMZIXRLKQSB-SNVBAGLBSA-N 0 1 308.338 1.591 20 5 DDBDMN CCc1nc(COC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000838283760 707887134 /nfs/dbraw/zinc/88/71/34/707887134.db2.gz ITLAGKXCXGBZAY-GFCCVEGCSA-N 0 1 306.278 1.052 20 5 DDBDMN CN1CCN(C)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000897099373 708229846 /nfs/dbraw/zinc/22/98/46/708229846.db2.gz YXTODQIODJTRTB-UHFFFAOYSA-N 0 1 312.801 1.932 20 5 DDBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](CN2CCOCC2)C1 ZINC000886192018 708711828 /nfs/dbraw/zinc/71/18/28/708711828.db2.gz DIAAXUMHCBEPEN-CQSZACIVSA-N 0 1 320.393 1.534 20 5 DDBDMN COc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898616482 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1.998 20 5 DDBDMN CNC(=O)CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269668990 408385839 /nfs/dbraw/zinc/38/58/39/408385839.db2.gz UCWYLBBMAUNVLZ-HNNXBMFYSA-N 0 1 321.377 1.476 20 5 DDBDMN CCC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1 ZINC000176789273 408446447 /nfs/dbraw/zinc/44/64/47/408446447.db2.gz JQHUXWZOUYBABY-UVMWJGKXSA-N 0 1 316.321 1.779 20 5 DDBDMN C[C@H](O)CN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1C ZINC000275387161 408588323 /nfs/dbraw/zinc/58/83/23/408588323.db2.gz PYSWOEPDMHWHBM-RYUDHWBXSA-N 0 1 320.393 1.454 20 5 DDBDMN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161744614 408635322 /nfs/dbraw/zinc/63/53/22/408635322.db2.gz PFOUHTCEHNWQRM-JOYOIKCWSA-N 0 1 310.354 1.889 20 5 DDBDMN Cc1ccc(NC(=O)C(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000161992483 408657628 /nfs/dbraw/zinc/65/76/28/408657628.db2.gz QKJFJXOAIGLVOK-UHFFFAOYSA-N 0 1 320.349 1.006 20 5 DDBDMN CCC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000177653074 408678497 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DDBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000287455875 409039710 /nfs/dbraw/zinc/03/97/10/409039710.db2.gz RTULUNHRJIYROU-MWLCHTKSSA-N 0 1 310.354 1.782 20 5 DDBDMN CON(CC1CCOCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282424368 409052149 /nfs/dbraw/zinc/05/21/49/409052149.db2.gz JQZHVLJGMFPEBP-UHFFFAOYSA-N 0 1 310.306 1.731 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCOC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000293854985 409193636 /nfs/dbraw/zinc/19/36/36/409193636.db2.gz KATWXKNQECCFPU-NSHDSACASA-N 0 1 308.338 1.515 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])NCCN1CC=CCC1 ZINC000280460136 409315770 /nfs/dbraw/zinc/31/57/70/409315770.db2.gz ZRYVVJXMTIJDOH-UHFFFAOYSA-N 0 1 318.377 1.698 20 5 DDBDMN C[C@@H](O)CCN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000295179911 409358534 /nfs/dbraw/zinc/35/85/34/409358534.db2.gz SSESQQBSGUEGHB-SNVBAGLBSA-N 0 1 318.333 1.828 20 5 DDBDMN CN1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284414804 409341382 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Cc1[nH]nc(C(=O)N2CC[C@H](C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000332169228 409943830 /nfs/dbraw/zinc/94/38/30/409943830.db2.gz XSWPUDONMKLMRY-NSHDSACASA-N 0 1 308.338 1.515 20 5 DDBDMN Cn1ccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000355113291 410322068 /nfs/dbraw/zinc/32/20/68/410322068.db2.gz BHNWRPYDDXCIGF-UHFFFAOYSA-N 0 1 314.305 1.177 20 5 DDBDMN Cc1nc([C@H](C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)n[nH]1 ZINC000343330692 410363820 /nfs/dbraw/zinc/36/38/20/410363820.db2.gz IJADCRVFAKXAKE-ZETCQYMHSA-N 0 1 314.305 1.994 20 5 DDBDMN COc1cccc(C(=O)N[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000343355461 410387987 /nfs/dbraw/zinc/38/79/87/410387987.db2.gz WMVVBCGNSIDYFD-SSDOTTSWSA-N 0 1 305.294 1.521 20 5 DDBDMN COc1cccc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000343355464 410389356 /nfs/dbraw/zinc/38/93/56/410389356.db2.gz WMVVBCGNSIDYFD-ZETCQYMHSA-N 0 1 305.294 1.521 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000330575846 410792114 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CCCc1[nH]nc(C(=O)Nc2nnc(OC)s2)c1[N+](=O)[O-] ZINC000616030141 416953622 /nfs/dbraw/zinc/95/36/22/416953622.db2.gz VAAPANLDLNOHBP-UHFFFAOYSA-N 0 1 312.311 1.383 20 5 DDBDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000296706537 226147037 /nfs/dbraw/zinc/14/70/37/226147037.db2.gz LMQHTOKAPTYLDW-NSHDSACASA-N 0 1 317.349 1.926 20 5 DDBDMN CNc1c(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000360931171 418550233 /nfs/dbraw/zinc/55/02/33/418550233.db2.gz MHWBMPPJSHRXCT-JQWIXIFHSA-N 0 1 306.366 1.849 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CCCC3)CC2)n1 ZINC000191767252 222108566 /nfs/dbraw/zinc/10/85/66/222108566.db2.gz OYQVYYUFOQBKTP-UHFFFAOYSA-N 0 1 321.381 1.512 20 5 DDBDMN CNc1c(C(=O)N2CCN(C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361213712 418606383 /nfs/dbraw/zinc/60/63/83/418606383.db2.gz ZSLLJZIPXDPYSQ-NSHDSACASA-N 0 1 306.366 1.803 20 5 DDBDMN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000352980601 418645667 /nfs/dbraw/zinc/64/56/67/418645667.db2.gz DDZLUCSCDFMNOV-GFCCVEGCSA-N 0 1 318.289 2.127 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371602167 418803574 /nfs/dbraw/zinc/80/35/74/418803574.db2.gz OOFDBGWBQQYXJR-WDEREUQCSA-N 0 1 305.334 1.657 20 5 DDBDMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513289 418869676 /nfs/dbraw/zinc/86/96/76/418869676.db2.gz PAEQSLVSENGZSY-VXGBXAGGSA-N 0 1 323.397 1.731 20 5 DDBDMN COc1c(C(=O)N2CC[C@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425060851 228357984 /nfs/dbraw/zinc/35/79/84/228357984.db2.gz QNXFRNMKUXKVHJ-VIFPVBQESA-N 0 1 317.305 1.351 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425062060 228358168 /nfs/dbraw/zinc/35/81/68/228358168.db2.gz CIBCATYHKAMKKR-SNVBAGLBSA-N 0 1 316.321 1.141 20 5 DDBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2CCO)c2c(c1)COCO2 ZINC000426230922 419410641 /nfs/dbraw/zinc/41/06/41/419410641.db2.gz NXMYATSCNFTSJK-CYBMUJFWSA-N 0 1 308.334 1.808 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3CCO)n2)cc1 ZINC000426225411 419413480 /nfs/dbraw/zinc/41/34/80/419413480.db2.gz FBRYOVKMNVMLIP-GFCCVEGCSA-N 0 1 318.333 1.992 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000412150765 419695631 /nfs/dbraw/zinc/69/56/31/419695631.db2.gz DHLFYOIXMXOYEX-KPXOXKRLSA-N 0 1 301.306 1.694 20 5 DDBDMN C[C@H]1CC[S@@](=O)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432474752 420243681 /nfs/dbraw/zinc/24/36/81/420243681.db2.gz DRNOWZJKNIVNKA-JLTPVHFHSA-N 0 1 312.347 1.284 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1[N+](=O)[O-] ZINC000433847528 420255269 /nfs/dbraw/zinc/25/52/69/420255269.db2.gz RLIPBCYMNZPHCP-RKDXNWHRSA-N 0 1 323.353 1.167 20 5 DDBDMN CCN(C)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416390676 420352538 /nfs/dbraw/zinc/35/25/38/420352538.db2.gz NQURDFYMIJNNTG-UHFFFAOYSA-N 0 1 315.395 1.442 20 5 DDBDMN CO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCC2 ZINC000456605956 420511934 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/nfs/dbraw/zinc/43/57/49/874435749.db2.gz JTSUMXAFOQTPFY-QJPTWQEYSA-N 0 1 305.334 1.370 20 5 DDBDMN C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[C@@H]2C1 ZINC001348223885 874435798 /nfs/dbraw/zinc/43/57/98/874435798.db2.gz JTSUMXAFOQTPFY-TUAOUCFPSA-N 0 1 305.334 1.370 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC/C=C\C2CC2)cc1 ZINC001348972276 874902273 /nfs/dbraw/zinc/90/22/73/874902273.db2.gz ITADSDSUWLAXLJ-UPHRSURJSA-N 0 1 310.375 1.924 20 5 DDBDMN Nc1cncc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001211191069 875706179 /nfs/dbraw/zinc/70/61/79/875706179.db2.gz PBVFNTZNLRFGJJ-UHFFFAOYSA-N 0 1 312.282 1.512 20 5 DDBDMN COC(=O)c1ccc(OCCN2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001227297246 882958211 /nfs/dbraw/zinc/95/82/11/882958211.db2.gz BLMSCNPLDIMXFB-GFCCVEGCSA-N 0 1 324.333 1.481 20 5 DDBDMN CCN1CC[C@H](Oc2cc([N+](=O)[O-])sc2C(=O)OC)C1 ZINC001227541853 883070713 /nfs/dbraw/zinc/07/07/13/883070713.db2.gz PPPLISHBSWPJGD-QMMMGPOBSA-N 0 1 300.336 1.916 20 5 DDBDMN CC[N@H+]1CC[C@H](Oc2cc([O-])c(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001228808572 883680053 /nfs/dbraw/zinc/68/00/53/883680053.db2.gz CBCBNWVUYDESCG-VIFPVBQESA-N 0 1 310.306 1.560 20 5 DDBDMN C[C@H](O)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229798343 884169833 /nfs/dbraw/zinc/16/98/33/884169833.db2.gz WCORYWFXBPQKDS-QMMMGPOBSA-N 0 1 300.266 1.938 20 5 DDBDMN CO[C@@H](C)CO[C@H](C)COc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263809 885449348 /nfs/dbraw/zinc/44/93/48/885449348.db2.gz MCABEFWTKWMVID-VHSXEESVSA-N 0 1 300.311 1.823 20 5 DDBDMN O=C(NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1)c1ccoc1 ZINC001283775574 907940457 /nfs/dbraw/zinc/94/04/57/907940457.db2.gz XYLNSPKKAUXWAK-CHWSQXEVSA-N 0 1 321.333 1.056 20 5 DDBDMN CC(C)N(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C(C)(C)F ZINC001284781756 909487204 /nfs/dbraw/zinc/48/72/04/909487204.db2.gz PTZAJQUQWXIXSK-GHMZBOCLSA-N 0 1 317.361 1.143 20 5 DDBDMN CCC(=CC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)CC ZINC001286426693 911974445 /nfs/dbraw/zinc/97/44/45/911974445.db2.gz FGPNGIGOCMHOPR-AAVRWANBSA-N 0 1 323.393 1.409 20 5 DDBDMN Cc1c(C(=O)NCCCCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000048284774 352533558 /nfs/dbraw/zinc/53/35/58/352533558.db2.gz LPLXRMHADDAUOR-UHFFFAOYSA-N 0 1 321.377 1.745 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](n3cncn3)C2)c1[N+](=O)[O-] ZINC000614456459 361865162 /nfs/dbraw/zinc/86/51/62/361865162.db2.gz UEFHXINGMWAXTQ-VIFPVBQESA-N 0 1 319.325 1.120 20 5 DDBDMN C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000457212262 529883826 /nfs/dbraw/zinc/88/38/26/529883826.db2.gz XJSMJZFOSQOLKP-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN C[S@@](=O)C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000183120435 199540406 /nfs/dbraw/zinc/54/04/06/199540406.db2.gz LNSJNKFHIIUWMU-MCMMXHMISA-N 0 1 322.390 1.501 20 5 DDBDMN Cc1ccc(C[C@@H](CO)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C ZINC000457294331 232030995 /nfs/dbraw/zinc/03/09/95/232030995.db2.gz QCPHVDDEAFGTME-LBPRGKRZSA-N 0 1 318.333 1.268 20 5 DDBDMN O=C(NC[C@H]1CSCCS1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272631657 210033667 /nfs/dbraw/zinc/03/36/67/210033667.db2.gz BIFJRHLGVIWDHX-NSHDSACASA-N 0 1 314.388 1.879 20 5 DDBDMN CCOC[C@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000172198285 198056615 /nfs/dbraw/zinc/05/66/15/198056615.db2.gz NCGPCFOEDNOLSG-JTQLQIEISA-N 0 1 310.354 1.769 20 5 DDBDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)n[nH]1 ZINC000331773852 234106764 /nfs/dbraw/zinc/10/67/64/234106764.db2.gz DQBXXOXJGWQDBC-SNVBAGLBSA-N 0 1 303.322 1.974 20 5 DDBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(C)C1 ZINC000052590859 352619775 /nfs/dbraw/zinc/61/97/75/352619775.db2.gz KHUMVAZXWPCPKL-ZDUSSCGKSA-N 0 1 306.366 1.830 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(COc2ccccc2)CC1 ZINC000055426330 352733854 /nfs/dbraw/zinc/73/38/54/352733854.db2.gz SOXAUKJOHKGDPW-HUUCEWRRSA-N 0 1 304.346 1.969 20 5 DDBDMN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000066870877 353020436 /nfs/dbraw/zinc/02/04/36/353020436.db2.gz YBWYQQWBDIJINK-UHFFFAOYSA-N 0 1 305.381 1.029 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)CN(C)C)c1 ZINC000344923002 282871781 /nfs/dbraw/zinc/87/17/81/282871781.db2.gz SVAOQCRMBVKTFZ-SNVBAGLBSA-N 0 1 315.395 1.440 20 5 DDBDMN C[C@@H](O)CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000174331984 198320966 /nfs/dbraw/zinc/32/09/66/198320966.db2.gz SIZUWVKBBFPGAA-QWHCGFSZSA-N 0 1 321.377 1.051 20 5 DDBDMN Cc1ccc(NCCCNC(=O)[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000078748301 353530457 /nfs/dbraw/zinc/53/04/57/353530457.db2.gz LWTJROHBKFCCAD-LBPRGKRZSA-N 0 1 308.382 1.772 20 5 DDBDMN C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000277092509 213287499 /nfs/dbraw/zinc/28/74/99/213287499.db2.gz BOWMVZSQGCKJNI-SNVBAGLBSA-N 0 1 308.338 1.252 20 5 DDBDMN COC(=O)CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000089265553 353763798 /nfs/dbraw/zinc/76/37/98/353763798.db2.gz ZCFKCKLXUBRKDI-ZDUSSCGKSA-N 0 1 321.377 1.977 20 5 DDBDMN CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093416711 353900925 /nfs/dbraw/zinc/90/09/25/353900925.db2.gz YDGQOXYTTFUYTD-JTQLQIEISA-N 0 1 316.379 1.555 20 5 DDBDMN COc1cc(CN[C@@H]2CCN(C(C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000152892248 354195531 /nfs/dbraw/zinc/19/55/31/354195531.db2.gz HTIGWKVRLPIZCZ-GFCCVEGCSA-N 0 1 323.349 1.322 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000279816857 354417891 /nfs/dbraw/zinc/41/78/91/354417891.db2.gz BADDNDYBAHTXFE-RKDXNWHRSA-N 0 1 324.337 1.152 20 5 DDBDMN C[N@H+]1CCC[C@]2(CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)C1 ZINC000565034294 304038217 /nfs/dbraw/zinc/03/82/17/304038217.db2.gz DSYVKOUCWZOKTC-HNNXBMFYSA-N 0 1 320.349 1.610 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000588815730 354938527 /nfs/dbraw/zinc/93/85/27/354938527.db2.gz ZWDPNSIBTXZSIH-QWHCGFSZSA-N 0 1 323.397 1.155 20 5 DDBDMN COc1ccc(CNC(=O)N[C@H](C)c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000272290133 209676861 /nfs/dbraw/zinc/67/68/61/209676861.db2.gz DDSFMAOQJQHRFX-MRVPVSSYSA-N 0 1 320.309 1.282 20 5 DDBDMN CC(C)(CO)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000590537162 355108505 /nfs/dbraw/zinc/10/85/05/355108505.db2.gz BSWOBVPJRQEDIT-ZDUSSCGKSA-N 0 1 318.333 1.808 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000590541653 355110044 /nfs/dbraw/zinc/11/00/44/355110044.db2.gz JMJKAUAKVJNUTA-CYBMUJFWSA-N 0 1 318.377 1.023 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@H]3COC[C@@H]32)c1[N+](=O)[O-] ZINC000590914451 355213208 /nfs/dbraw/zinc/21/32/08/355213208.db2.gz DJCIEZRCSYHWSD-UWVGGRQHSA-N 0 1 306.322 1.267 20 5 DDBDMN Cn1cc[nH+]c1[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000592978925 355761296 /nfs/dbraw/zinc/76/12/96/355761296.db2.gz OBCLXBAZMVCWMQ-VIFPVBQESA-N 0 1 317.305 1.415 20 5 DDBDMN O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2nnc[nH]2)CC1 ZINC000593508314 355908302 /nfs/dbraw/zinc/90/83/02/355908302.db2.gz NGXSRGMWLYGMFS-UHFFFAOYSA-N 0 1 306.301 1.174 20 5 DDBDMN O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000594412616 356202051 /nfs/dbraw/zinc/20/20/51/356202051.db2.gz QBLYHSGSVZHZGL-XPUUQOCRSA-N 0 1 322.243 1.548 20 5 DDBDMN C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000594818696 356326873 /nfs/dbraw/zinc/32/68/73/356326873.db2.gz YHAYEHBXTFFDTD-QMMMGPOBSA-N 0 1 307.397 1.275 20 5 DDBDMN CC[C@H](C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])OC ZINC000594777127 356314281 /nfs/dbraw/zinc/31/42/81/356314281.db2.gz KSXSYAAIHHTCKN-ONGXEEELSA-N 0 1 317.367 1.329 20 5 DDBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cnc[nH]1 ZINC000595594569 356567398 /nfs/dbraw/zinc/56/73/98/356567398.db2.gz MXJWOZAUOUJSSV-UHFFFAOYSA-N 0 1 315.333 1.339 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3C[C@H](O)C34CCC4)nc2c1 ZINC000595785531 356651722 /nfs/dbraw/zinc/65/17/22/356651722.db2.gz XGWLBFASWBKIKX-STQMWFEESA-N 0 1 302.334 1.864 20 5 DDBDMN CN(CC(C)(C)CN1CCOCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596171519 356801077 /nfs/dbraw/zinc/80/10/77/356801077.db2.gz DRBYKYBTQFBJHS-UHFFFAOYSA-N 0 1 324.381 1.490 20 5 DDBDMN CN(C)C1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597100198 357060908 /nfs/dbraw/zinc/06/09/08/357060908.db2.gz GNJAYJXGBNKZGI-UHFFFAOYSA-N 0 1 313.745 1.608 20 5 DDBDMN O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597584895 357239112 /nfs/dbraw/zinc/23/91/12/357239112.db2.gz YKPQRBITTAUOBA-NWDGAFQWSA-N 0 1 323.324 1.559 20 5 DDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000597609601 357252884 /nfs/dbraw/zinc/25/28/84/357252884.db2.gz ICABJJYTFQAHFH-MRVPVSSYSA-N 0 1 321.293 1.042 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000597923680 357383482 /nfs/dbraw/zinc/38/34/82/357383482.db2.gz OEVYZRCSWZUNKB-SNVBAGLBSA-N 0 1 307.350 1.903 20 5 DDBDMN CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000598038659 357436840 /nfs/dbraw/zinc/43/68/40/357436840.db2.gz FXDUOKKFRMNXOW-LBPRGKRZSA-N 0 1 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DDBDMN C[C@H](O)CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248650911 408608223 /nfs/dbraw/zinc/60/82/23/408608223.db2.gz AHOPVGYJAVIQDY-NEPJUHHUSA-N 0 1 322.365 1.514 20 5 DDBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000161821123 408643564 /nfs/dbraw/zinc/64/35/64/408643564.db2.gz IIOQWXPZHSDUQG-QMMMGPOBSA-N 0 1 314.305 1.696 20 5 DDBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1CO ZINC000248900266 408659248 /nfs/dbraw/zinc/65/92/48/408659248.db2.gz HEWIKXRIRHGSRD-HZMBPMFUSA-N 0 1 308.334 1.664 20 5 DDBDMN CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000184903812 408712858 /nfs/dbraw/zinc/71/28/58/408712858.db2.gz OYSZLPDRIFOVEH-UHFFFAOYSA-N 0 1 309.322 1.720 20 5 DDBDMN CC[C@@H](NCCNS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000177804277 408717023 /nfs/dbraw/zinc/71/70/23/408717023.db2.gz UWIMQMUCJQGEOY-CYBMUJFWSA-N 0 1 315.395 1.575 20 5 DDBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2N)n[nH]1 ZINC000270776835 408676924 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/nfs/dbraw/zinc/21/12/08/307211208.db2.gz UJUKNGOKLUZRSJ-JLLWLGSASA-N 0 1 323.736 1.005 20 5 DDBDMN COc1ccc(CC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000559320866 307901605 /nfs/dbraw/zinc/90/16/05/307901605.db2.gz PEQZPSRRGIIQBX-RYUDHWBXSA-N 0 1 321.377 1.697 20 5 DDBDMN C[C@H](C(=O)N1CC[C@H](c2nc[nH]n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000566851632 308065165 /nfs/dbraw/zinc/06/51/65/308065165.db2.gz ONDCISLTMZMNEC-JQWIXIFHSA-N 0 1 315.333 1.833 20 5 DDBDMN CCn1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000567694226 308091134 /nfs/dbraw/zinc/09/11/34/308091134.db2.gz LMKHGTNFWMXASN-UHFFFAOYSA-N 0 1 317.349 1.930 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNCc1ccccn1 ZINC000583708800 337095024 /nfs/dbraw/zinc/09/50/24/337095024.db2.gz ZWUPMBULKUUVSF-CYBMUJFWSA-N 0 1 303.318 1.519 20 5 DDBDMN Cc1c(C(=O)N[C@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000370901797 483926123 /nfs/dbraw/zinc/92/61/23/483926123.db2.gz BNQUKZDYHPWKOP-JTQLQIEISA-N 0 1 300.318 1.914 20 5 DDBDMN O=C(N=c1cc[nH]c2cc[nH+]cc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436991573 484134462 /nfs/dbraw/zinc/13/44/62/484134462.db2.gz RMVGKOOHRVABPF-UHFFFAOYSA-N 0 1 310.269 1.918 20 5 DDBDMN CCOC(=O)c1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000557861654 484323709 /nfs/dbraw/zinc/32/37/09/484323709.db2.gz LULJGWKJRRSREB-UHFFFAOYSA-N 0 1 322.252 1.886 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCCOCC2)c1 ZINC000445667733 534245690 /nfs/dbraw/zinc/24/56/90/534245690.db2.gz HNULSTRDYLOWRS-UHFFFAOYSA-N 0 1 323.349 1.516 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425063087 534316702 /nfs/dbraw/zinc/31/67/02/534316702.db2.gz FBUOBVSJARHZDZ-JTQLQIEISA-N 0 1 301.306 1.651 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000154861436 521327876 /nfs/dbraw/zinc/32/78/76/521327876.db2.gz JPXYLFRWQMNHSN-CQSZACIVSA-N 0 1 308.338 1.523 20 5 DDBDMN CC(C)(NC(=O)C=Cc1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000491933186 527262687 /nfs/dbraw/zinc/26/26/87/527262687.db2.gz SGLXIZHUCGRSNR-VOTSOKGWSA-N 0 1 302.294 1.173 20 5 DDBDMN CC(C)NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000412858968 527708910 /nfs/dbraw/zinc/70/89/10/527708910.db2.gz UCPFUMMHNLXOCZ-QMMMGPOBSA-N 0 1 319.321 1.114 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C[C@H](C)O)c1[N+](=O)[O-] ZINC000332623864 527997871 /nfs/dbraw/zinc/99/78/71/527997871.db2.gz GUWPFQTYRSQGAL-VHSXEESVSA-N 0 1 310.354 1.817 20 5 DDBDMN CCOC(=O)[C@H]1NCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000423069879 528095116 /nfs/dbraw/zinc/09/51/16/528095116.db2.gz FHFMFSZZQAGANI-OCCSQVGLSA-N 0 1 307.350 1.286 20 5 DDBDMN CCC(=O)N[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000330779860 528404761 /nfs/dbraw/zinc/40/47/61/528404761.db2.gz MYVSTDWNSKDMEI-LLVKDONJSA-N 0 1 321.333 1.431 20 5 DDBDMN CCC[C@H]1CNCCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417233106 528410734 /nfs/dbraw/zinc/41/07/34/528410734.db2.gz NLMCPUOFBQKMNL-HNNXBMFYSA-N 0 1 320.393 1.921 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000331312725 528544916 /nfs/dbraw/zinc/54/49/16/528544916.db2.gz CFLUFGCNCJKTPR-QMMMGPOBSA-N 0 1 300.290 1.081 20 5 DDBDMN CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737509836 599773455 /nfs/dbraw/zinc/77/34/55/599773455.db2.gz XVGZXVWNYVJMTL-JTQLQIEISA-N 0 1 321.333 1.317 20 5 DDBDMN C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737518960 600399988 /nfs/dbraw/zinc/39/99/88/600399988.db2.gz UQMPWAOXVKTMJN-LBPRGKRZSA-N 0 1 307.306 1.716 20 5 DDBDMN C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737518960 600399990 /nfs/dbraw/zinc/39/99/90/600399990.db2.gz UQMPWAOXVKTMJN-LBPRGKRZSA-N 0 1 307.306 1.716 20 5 DDBDMN CCN1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000825466206 607821931 /nfs/dbraw/zinc/82/19/31/607821931.db2.gz XDKNXDXSXUGBLN-SNVBAGLBSA-N 0 1 317.353 1.305 20 5 DDBDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000833628674 605198245 /nfs/dbraw/zinc/19/82/45/605198245.db2.gz NNNJJUVBKHBADP-CYBMUJFWSA-N 0 1 321.377 1.618 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000833920370 605325840 /nfs/dbraw/zinc/32/58/40/605325840.db2.gz IDNOMMIYGVEAAZ-QJPTWQEYSA-N 0 1 323.353 1.425 20 5 DDBDMN Cc1nn(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000833920370 605325846 /nfs/dbraw/zinc/32/58/46/605325846.db2.gz IDNOMMIYGVEAAZ-QJPTWQEYSA-N 0 1 323.353 1.425 20 5 DDBDMN O=C([O-])NC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834220968 605817486 /nfs/dbraw/zinc/81/74/86/605817486.db2.gz QDNSWXXQRFSYKW-BXUZGUMPSA-N 0 1 323.349 1.608 20 5 DDBDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000833834049 605887935 /nfs/dbraw/zinc/88/79/35/605887935.db2.gz MCLVFHLEBRMMRE-NEPJUHHUSA-N 0 1 323.349 1.952 20 5 DDBDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000833829584 605903419 /nfs/dbraw/zinc/90/34/19/605903419.db2.gz HDDSMAJPSDUYGC-RYUDHWBXSA-N 0 1 323.349 1.952 20 5 DDBDMN O=C(CC1=CCCCC1)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973953120 695602795 /nfs/dbraw/zinc/60/27/95/695602795.db2.gz MJACHISFKMUWMY-XJFOESAGSA-N 0 1 321.377 1.306 20 5 DDBDMN CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)C1CCC1 ZINC000974115819 695639734 /nfs/dbraw/zinc/63/97/34/695639734.db2.gz BRBGMDSMLVKLST-YVECIDJPSA-N 0 1 323.393 1.241 20 5 DDBDMN C[Si](C)(C)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000798141151 700043935 /nfs/dbraw/zinc/04/39/35/700043935.db2.gz YHVIMYROWGZSAA-UHFFFAOYSA-N 0 1 318.409 1.793 20 5 DDBDMN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000194628712 697717141 /nfs/dbraw/zinc/71/71/41/697717141.db2.gz PULFHUKJEDASLK-NSHDSACASA-N 0 1 322.321 1.717 20 5 DDBDMN CCc1cc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)n[nH]1 ZINC000774530049 697890769 /nfs/dbraw/zinc/89/07/69/697890769.db2.gz PLEMPGLUDHCQOA-UHFFFAOYSA-N 0 1 303.322 1.852 20 5 DDBDMN O=C(NC[C@H](O)c1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780422689 698517386 /nfs/dbraw/zinc/51/73/86/698517386.db2.gz WUKPZSWSLUGLFG-AWEZNQCLSA-N 0 1 320.276 1.903 20 5 DDBDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000785728512 699095528 /nfs/dbraw/zinc/09/55/28/699095528.db2.gz IDNPGBUMOUGYRG-TXEJJXNPSA-N 0 1 323.349 1.173 20 5 DDBDMN CCc1cc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000738382754 699758534 /nfs/dbraw/zinc/75/85/34/699758534.db2.gz GXTLBADSFVABSY-UHFFFAOYSA-N 0 1 324.362 1.500 20 5 DDBDMN CO[C@H]1C[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000795673085 699882850 /nfs/dbraw/zinc/88/28/50/699882850.db2.gz RIZLYLZPOOSMBC-KLPPZKSPSA-N 0 1 305.338 1.715 20 5 DDBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1C ZINC000761081932 700841636 /nfs/dbraw/zinc/84/16/36/700841636.db2.gz OWNYBOAZBLSBQQ-LLVKDONJSA-N 0 1 307.350 1.597 20 5 DDBDMN O=C(NC[C@@H](O)c1ccccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769507047 701247833 /nfs/dbraw/zinc/24/78/33/701247833.db2.gz FDPAGWDHEJMUMS-CQSZACIVSA-N 0 1 320.276 1.903 20 5 DDBDMN Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839494943 701717302 /nfs/dbraw/zinc/71/73/02/701717302.db2.gz PSBXXAHJGYDUGY-UPJWGTAASA-N 0 1 300.318 1.291 20 5 DDBDMN C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572638 701740988 /nfs/dbraw/zinc/74/09/88/701740988.db2.gz UYFRSMGLYZKFRT-BCMRRPTOSA-N 0 1 300.261 1.514 20 5 DDBDMN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839578849 701744164 /nfs/dbraw/zinc/74/41/64/701744164.db2.gz PCFFCGBGCSRTRT-XXILOJSOSA-N 0 1 307.306 1.264 20 5 DDBDMN O=C(NCc1ccc(O)c(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839707961 701791781 /nfs/dbraw/zinc/79/17/81/701791781.db2.gz VTKMTJQUICIONW-VXNVDRBHSA-N 0 1 315.123 1.436 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000839709248 701791926 /nfs/dbraw/zinc/79/19/26/701791926.db2.gz LXEOFIQSHYWJME-DGCLKSJQSA-N 0 1 305.290 1.751 20 5 DDBDMN Cc1nn(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118317 701978148 /nfs/dbraw/zinc/97/81/48/701978148.db2.gz DBDZOADAHRXHMU-MCIONIFRSA-N 0 1 308.382 1.991 20 5 DDBDMN C[C@@](CO)(NC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273321 706636513 /nfs/dbraw/zinc/63/65/13/706636513.db2.gz TZGMXRNUMWFPML-HIFRSBDPSA-N 0 1 310.350 1.543 20 5 DDBDMN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840446898 702111514 /nfs/dbraw/zinc/11/15/14/702111514.db2.gz XTBVOZBIXQKDSH-RAIGVLPGSA-N 0 1 306.318 1.242 20 5 DDBDMN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c(OC)c1 ZINC000840504247 702134336 /nfs/dbraw/zinc/13/43/36/702134336.db2.gz BGGLQPFCTILOBO-VXNVDRBHSA-N 0 1 300.698 1.961 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC000840670646 702193688 /nfs/dbraw/zinc/19/36/88/702193688.db2.gz UGQUJLZXXLUETG-JVUFJMBOSA-N 0 1 303.274 1.343 20 5 DDBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000840672151 702195665 /nfs/dbraw/zinc/19/56/65/702195665.db2.gz MFSJIUMQRFPJGC-SOCHQFKDSA-N 0 1 323.261 1.130 20 5 DDBDMN O=C(OCCOCC(F)(F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000840672516 702196499 /nfs/dbraw/zinc/19/64/99/702196499.db2.gz ATSODDURIWMPAE-PHDIDXHHSA-N 0 1 307.171 1.409 20 5 DDBDMN Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673198 702198016 /nfs/dbraw/zinc/19/80/16/702198016.db2.gz SPNURWBHLULUAG-IACUBPJLSA-N 0 1 320.345 1.251 20 5 DDBDMN Cc1cc(-n2cc(COC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)ccc1F ZINC000841204179 702387518 /nfs/dbraw/zinc/38/75/18/702387518.db2.gz XTDKYEYBKJEXMD-DGCLKSJQSA-N 0 1 320.280 1.423 20 5 DDBDMN CC(C)(C)c1nnc(COC(=O)c2cc([N+](=O)[O-])cnc2N)[nH]1 ZINC000814464811 702526592 /nfs/dbraw/zinc/52/65/92/702526592.db2.gz RTALGDJUNMBAHS-UHFFFAOYSA-N 0 1 320.309 1.345 20 5 DDBDMN CC(C)(C)c1nc(COC(=O)c2cc([N+](=O)[O-])cnc2N)n[nH]1 ZINC000814464811 702526597 /nfs/dbraw/zinc/52/65/97/702526597.db2.gz RTALGDJUNMBAHS-UHFFFAOYSA-N 0 1 320.309 1.345 20 5 DDBDMN CC(=O)c1ccc(N2CC[NH+](CC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000844213876 702993396 /nfs/dbraw/zinc/99/33/96/702993396.db2.gz MIEHVVQNWBUAGV-UHFFFAOYSA-N 0 1 307.306 1.004 20 5 DDBDMN CCc1cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000845495986 703164250 /nfs/dbraw/zinc/16/42/50/703164250.db2.gz LGJLRQRVWLOHAF-UHFFFAOYSA-N 0 1 306.297 1.878 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC000846574709 703299405 /nfs/dbraw/zinc/29/94/05/703299405.db2.gz KRQIZJCGSZXEFT-LLVKDONJSA-N 0 1 300.265 1.888 20 5 DDBDMN CC1(C)C[C@@H](O)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622166 706741801 /nfs/dbraw/zinc/74/18/01/706741801.db2.gz IHNSPQZQNGNIAU-CHWSQXEVSA-N 0 1 324.377 1.427 20 5 DDBDMN CCc1nc([C@H](C)OC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000849710757 703670535 /nfs/dbraw/zinc/67/05/35/703670535.db2.gz USYNOUFYGSWWES-VIFPVBQESA-N 0 1 319.321 1.992 20 5 DDBDMN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000850593536 703738550 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DDBDMN CC(=O)OC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153322292 696913234 /nfs/dbraw/zinc/91/32/34/696913234.db2.gz ZLEBOWAPLXNTCI-HNNXBMFYSA-N 0 1 308.334 1.656 20 5 DDBDMN Cc1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153869182 696922983 /nfs/dbraw/zinc/92/29/83/696922983.db2.gz XTNBGFJDFHMMHP-DTORHVGOSA-N 0 1 322.321 1.634 20 5 DDBDMN NC(=O)CCNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162131138 697326894 /nfs/dbraw/zinc/32/68/94/697326894.db2.gz DCTSJOKLQMTUBB-UHFFFAOYSA-N 0 1 302.128 1.322 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000773155462 697719640 /nfs/dbraw/zinc/71/96/40/697719640.db2.gz VZUNIGGUOJRTRE-SNVBAGLBSA-N 0 1 320.334 1.038 20 5 DDBDMN CC[C@H](CO)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589164 698122921 /nfs/dbraw/zinc/12/29/21/698122921.db2.gz PQXRKPRRYPZSIK-ZBFHGGJFSA-N 0 1 323.393 1.017 20 5 DDBDMN CC(C)c1ccc(CNC[C@@H]2CC(C(N)=O)=NO2)cc1[N+](=O)[O-] ZINC000788434862 699313732 /nfs/dbraw/zinc/31/37/32/699313732.db2.gz UTFNUTTVNUHDOQ-NSHDSACASA-N 0 1 320.349 1.438 20 5 DDBDMN Cc1nn[nH]c1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000789961487 699426180 /nfs/dbraw/zinc/42/61/80/699426180.db2.gz MCPXYHSCWWMMCZ-ZDUSSCGKSA-N 0 1 319.346 1.909 20 5 DDBDMN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCN1CCC1 ZINC000790903502 699602650 /nfs/dbraw/zinc/60/26/50/699602650.db2.gz HMNRGIMYNGKHJD-UHFFFAOYSA-N 0 1 315.732 1.752 20 5 DDBDMN CC(=O)c1ccc(N2CCC[N@@H+](CC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000737549244 699742100 /nfs/dbraw/zinc/74/21/00/699742100.db2.gz WNLSWFAZROTGSS-UHFFFAOYSA-N 0 1 321.333 1.394 20 5 DDBDMN O=c1[nH]nc2n1CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000771811478 701332123 /nfs/dbraw/zinc/33/21/23/701332123.db2.gz FWIQLQLDPIEKBH-UHFFFAOYSA-N 0 1 309.713 1.561 20 5 DDBDMN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685254 701783403 /nfs/dbraw/zinc/78/34/03/701783403.db2.gz BHQNHLBTHRQRMU-MRVWCRGKSA-N 0 1 320.345 1.490 20 5 DDBDMN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000839692702 701787086 /nfs/dbraw/zinc/78/70/86/701787086.db2.gz MBUKDVPUFROXDN-DRTBCBBWSA-N 0 1 319.144 1.808 20 5 DDBDMN COc1ccccc1OC[C@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719356 701796403 /nfs/dbraw/zinc/79/64/03/701796403.db2.gz ZGUNFJWCBHWBEG-IJLUTSLNSA-N 0 1 308.334 1.492 20 5 DDBDMN COCCC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839748239 701808753 /nfs/dbraw/zinc/80/87/53/701808753.db2.gz ISZROZKNAGPUOW-RRFJBIMHSA-N 0 1 306.362 1.806 20 5 DDBDMN CS(=O)(=O)[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000811079183 701909697 /nfs/dbraw/zinc/90/96/97/701909697.db2.gz WVROTFJWKPVPCI-NXEZZACHSA-N 0 1 316.335 1.436 20 5 DDBDMN Cc1nc([C@H](C)OC(=O)CNc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000840217855 702032787 /nfs/dbraw/zinc/03/27/87/702032787.db2.gz VVAOIRFBSBWBDM-QMMMGPOBSA-N 0 1 305.294 1.738 20 5 DDBDMN COc1cccc(C(=O)O[C@H](C)c2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000840497132 702131000 /nfs/dbraw/zinc/13/10/00/702131000.db2.gz FLMMSFBRCDBBSS-SSDOTTSWSA-N 0 1 306.278 1.948 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000840672371 702195811 /nfs/dbraw/zinc/19/58/11/702195811.db2.gz KBYDOBIYYHAIFD-MJYBNVITSA-N 0 1 312.366 1.524 20 5 DDBDMN Cc1cc(N2C[C@H](CO)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000866255222 706658548 /nfs/dbraw/zinc/65/85/48/706658548.db2.gz MVVORWRRZWIHSS-TXEJJXNPSA-N 0 1 317.345 1.488 20 5 DDBDMN CC(C)(C)c1nnc(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000814359273 702510839 /nfs/dbraw/zinc/51/08/39/702510839.db2.gz XWHSTPMFMDLIJW-UHFFFAOYSA-N 0 1 319.321 1.950 20 5 DDBDMN CC(C)(C)c1nc(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[nH]1 ZINC000814359273 702510841 /nfs/dbraw/zinc/51/08/41/702510841.db2.gz XWHSTPMFMDLIJW-UHFFFAOYSA-N 0 1 319.321 1.950 20 5 DDBDMN Cc1nn(C)c(C(=O)OCc2nnc(C(C)(C)C)[nH]2)c1[N+](=O)[O-] ZINC000814448726 702522586 /nfs/dbraw/zinc/52/25/86/702522586.db2.gz UKOXCLMBRUTCMU-UHFFFAOYSA-N 0 1 322.325 1.409 20 5 DDBDMN Cc1nn(C)c(C(=O)OCc2n[nH]c(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000814448726 702522590 /nfs/dbraw/zinc/52/25/90/702522590.db2.gz UKOXCLMBRUTCMU-UHFFFAOYSA-N 0 1 322.325 1.409 20 5 DDBDMN O=C(Oc1ccccc1C(=O)N1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842282994 702695864 /nfs/dbraw/zinc/69/58/64/702695864.db2.gz KMZWDRBUTATVHW-CHWSQXEVSA-N 0 1 318.329 1.883 20 5 DDBDMN COc1cc(Cc2noc([C@@H]3CNCCO3)n2)ccc1[N+](=O)[O-] ZINC000843192407 702838294 /nfs/dbraw/zinc/83/82/94/702838294.db2.gz UTNWETYRAWBINL-LBPRGKRZSA-N 0 1 320.305 1.238 20 5 DDBDMN COCC[N@@H+](CCC(=O)[O-])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000846271462 703259060 /nfs/dbraw/zinc/25/90/60/703259060.db2.gz GTLFKRFFMRQJGZ-UHFFFAOYSA-N 0 1 312.322 1.527 20 5 DDBDMN COc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000848578257 703564591 /nfs/dbraw/zinc/56/45/91/703564591.db2.gz PNSOGOQJVZEDJF-GFCCVEGCSA-N 0 1 321.333 1.676 20 5 DDBDMN CCc1nc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])co1 ZINC000849397152 703643231 /nfs/dbraw/zinc/64/32/31/703643231.db2.gz VBUUDMSJPYAOIO-UHFFFAOYSA-N 0 1 312.307 1.019 20 5 DDBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])c1 ZINC000852583051 704081661 /nfs/dbraw/zinc/08/16/61/704081661.db2.gz PYQRMVNTVZJWOI-CHWSQXEVSA-N 0 1 307.306 1.896 20 5 DDBDMN CC(C)(C)OC(=O)C(C)(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000819624277 704152347 /nfs/dbraw/zinc/15/23/47/704152347.db2.gz XDKUPGUNEMPJIM-NXEZZACHSA-N 0 1 300.355 1.526 20 5 DDBDMN CC(C)(C)OC(=O)c1ncccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857642196 704610331 /nfs/dbraw/zinc/61/03/31/704610331.db2.gz WWWHDSVHWWZFAD-PSASIEDQSA-N 0 1 307.306 1.641 20 5 DDBDMN Cc1ccc(O[C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)nc1 ZINC000858035950 704660456 /nfs/dbraw/zinc/66/04/56/704660456.db2.gz MPTUIGCQDTTXOF-CYBMUJFWSA-N 0 1 317.349 1.648 20 5 DDBDMN C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000858985727 704780298 /nfs/dbraw/zinc/78/02/98/704780298.db2.gz NJRAGKMKMQBKHQ-QMMMGPOBSA-N 0 1 304.372 1.289 20 5 DDBDMN COCOCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000859383384 704886023 /nfs/dbraw/zinc/88/60/23/704886023.db2.gz NZBKEBPKAVBVOV-UHFFFAOYSA-N 0 1 322.314 1.023 20 5 DDBDMN COc1cc(Cc2noc([C@H]3CNCCO3)n2)ccc1[N+](=O)[O-] ZINC000822863793 705063802 /nfs/dbraw/zinc/06/38/02/705063802.db2.gz UTNWETYRAWBINL-GFCCVEGCSA-N 0 1 320.305 1.238 20 5 DDBDMN CCc1cc(CNC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000823287480 705195064 /nfs/dbraw/zinc/19/50/64/705195064.db2.gz ZOKUYOIUDFTSNF-UHFFFAOYSA-N 0 1 322.296 1.958 20 5 DDBDMN CC1(C)C(=O)Nc2ccc(COC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC000861055632 705360331 /nfs/dbraw/zinc/36/03/31/705360331.db2.gz NWWNYTLJSANESE-BXKDBHETSA-N 0 1 304.302 1.625 20 5 DDBDMN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834916449 707147928 /nfs/dbraw/zinc/14/79/28/707147928.db2.gz YVVOELBNSGXLJH-VHRBIJSZSA-N 0 1 318.377 1.981 20 5 DDBDMN CO[C@@H]1CN(C)[C@@](C)(COC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000861339616 705432847 /nfs/dbraw/zinc/43/28/47/705432847.db2.gz CDWSWBMNCLSUOB-XHDPSFHLSA-N 0 1 308.334 1.861 20 5 DDBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@]1(CO)CCOC1 ZINC000862427151 705715953 /nfs/dbraw/zinc/71/59/53/705715953.db2.gz UZLWNAXXOJFZCX-CYBMUJFWSA-N 0 1 300.742 1.831 20 5 DDBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1Cl ZINC000862946009 705832671 /nfs/dbraw/zinc/83/26/71/705832671.db2.gz AKWFTWLKUAWZLU-VXNVDRBHSA-N 0 1 300.673 1.443 20 5 DDBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000863472745 705935752 /nfs/dbraw/zinc/93/57/52/705935752.db2.gz NWNMCPAIFTUDEO-PSASIEDQSA-N 0 1 300.673 1.443 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000829043222 706279372 /nfs/dbraw/zinc/27/93/72/706279372.db2.gz IDMJQFGVVFLPQU-YNEHKIRRSA-N 0 1 302.334 1.058 20 5 DDBDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829621911 706368370 /nfs/dbraw/zinc/36/83/70/706368370.db2.gz CMPVOPIENZZLQQ-LBPRGKRZSA-N 0 1 315.414 1.126 20 5 DDBDMN C[C@@H]1CC[C@H](CO)N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000880438421 706976438 /nfs/dbraw/zinc/97/64/38/706976438.db2.gz HGMFVOBCJAVOBZ-BXUZGUMPSA-N 0 1 307.350 1.403 20 5 DDBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000833211154 707002144 /nfs/dbraw/zinc/00/21/44/707002144.db2.gz DUHKKWCPOJJCOS-LLVKDONJSA-N 0 1 304.306 1.841 20 5 DDBDMN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN(C)C1=O ZINC000872266962 707356170 /nfs/dbraw/zinc/35/61/70/707356170.db2.gz IUNSXZFYRPVYQN-LSDHHAIUSA-N 0 1 321.377 1.571 20 5 DDBDMN O=C(CCCNC(=O)C1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837425925 707644130 /nfs/dbraw/zinc/64/41/30/707644130.db2.gz ZXTMDPLOBSBJCN-UHFFFAOYSA-N 0 1 322.317 1.650 20 5 DDBDMN CNC(=O)[C@H](CCSC)NCc1cccc([N+](=O)[O-])c1C ZINC000873127183 707742424 /nfs/dbraw/zinc/74/24/24/707742424.db2.gz OCESUIFAFFFIOD-LBPRGKRZSA-N 0 1 311.407 1.861 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C ZINC000873360996 707824459 /nfs/dbraw/zinc/82/44/59/707824459.db2.gz QOXJUIKWSRMXKM-UTUOFQBUSA-N 0 1 324.381 1.904 20 5 DDBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000886084241 708695283 /nfs/dbraw/zinc/69/52/83/708695283.db2.gz SZYGCJDRSKFNKL-LBPRGKRZSA-N 0 1 302.338 1.494 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCN(C)C[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000886593160 708785312 /nfs/dbraw/zinc/78/53/12/708785312.db2.gz JQEBWJCOABWWHQ-LLVKDONJSA-N 0 1 323.397 1.683 20 5 DDBDMN O=C(NCC1(Br)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000910206885 709814189 /nfs/dbraw/zinc/81/41/89/709814189.db2.gz BDYPWYLNQSOPPZ-UHFFFAOYSA-N 0 1 315.123 1.958 20 5 DDBDMN CC[N@H+]1CC[C@H](N(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC000910363788 709909685 /nfs/dbraw/zinc/90/96/85/709909685.db2.gz PKLMAWJZYBFGPY-PWSUYJOCSA-N 0 1 322.365 1.855 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000910363290 709909875 /nfs/dbraw/zinc/90/98/75/709909875.db2.gz PZGQXUJVWAKYHH-QWRGUYRKSA-N 0 1 322.365 1.915 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000901542086 710070086 /nfs/dbraw/zinc/07/00/86/710070086.db2.gz NBIGIEQGWMXEOU-HNNXBMFYSA-N 0 1 308.334 1.887 20 5 DDBDMN Cc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1[N+](=O)[O-] ZINC000892536979 710454186 /nfs/dbraw/zinc/45/41/86/710454186.db2.gz NCADYURDQISFEQ-UHFFFAOYSA-N 0 1 306.366 1.797 20 5 DDBDMN C[C@@H]1[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000928431521 713192689 /nfs/dbraw/zinc/19/26/89/713192689.db2.gz FBEXYQXVJIIWOX-RISCZKNCSA-N 0 1 319.361 1.767 20 5 DDBDMN COc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000893374736 710622341 /nfs/dbraw/zinc/62/23/41/710622341.db2.gz QSMXOVZJRRTJGU-NSHDSACASA-N 0 1 324.381 1.280 20 5 DDBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000893872091 710867477 /nfs/dbraw/zinc/86/74/77/710867477.db2.gz OTEFATSXMQYBFE-LBPRGKRZSA-N 0 1 306.366 1.485 20 5 DDBDMN COc1c(O)ccc(CNCCOC(F)(F)F)c1[N+](=O)[O-] ZINC000893957749 710901139 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CCc1[nH]nc(C(=O)N2CCC[C@@]2(C)CCCO)c1[N+](=O)[O-] ZINC000278354997 214109944 /nfs/dbraw/zinc/10/99/44/214109944.db2.gz GWRDWNQFUMTIHQ-AWEZNQCLSA-N 0 1 310.354 1.648 20 5 DDBDMN COC[C@]1(CO)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451924397 231233902 /nfs/dbraw/zinc/23/39/02/231233902.db2.gz DOHMEUJJUVRXDI-OAHLLOKOSA-N 0 1 310.350 1.434 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452425214 231380462 /nfs/dbraw/zinc/38/04/62/231380462.db2.gz RLPWHECLSUSERA-UHFFFAOYSA-N 0 1 317.305 1.529 20 5 DDBDMN COc1ccc(CN2CCN(CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000614920491 362077939 /nfs/dbraw/zinc/07/79/39/362077939.db2.gz IUTRTELFNOJSOW-UHFFFAOYSA-N 0 1 323.393 1.492 20 5 DDBDMN COc1cccc2c1CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C2 ZINC000272820326 210220232 /nfs/dbraw/zinc/22/02/32/210220232.db2.gz JVTPUGJVHHPCQE-UHFFFAOYSA-N 0 1 316.317 1.833 20 5 DDBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COCC(F)(F)F ZINC000292578919 530004512 /nfs/dbraw/zinc/00/45/12/530004512.db2.gz ZINUWOFZKQWCRU-LLVKDONJSA-N 0 1 322.283 1.966 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@H](C)O)C2)c1[N+](=O)[O-] ZINC000305244684 282395632 /nfs/dbraw/zinc/39/56/32/282395632.db2.gz SKYYPSJRCYMFSH-UWVGGRQHSA-N 0 1 310.354 1.503 20 5 DDBDMN O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000045055801 352400821 /nfs/dbraw/zinc/40/08/21/352400821.db2.gz IGTKCOLWLCAPFG-KBPBESRZSA-N 0 1 302.330 1.773 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@H](F)C1 ZINC000344884946 282860994 /nfs/dbraw/zinc/86/09/94/282860994.db2.gz AJCUNGAGPKXWCO-JGVFFNPUSA-N 0 1 306.290 1.903 20 5 DDBDMN CNC(=O)c1ccc(N2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000078022588 353501942 /nfs/dbraw/zinc/50/19/42/353501942.db2.gz VYRSHBMMNOOMBW-OAHLLOKOSA-N 0 1 320.393 1.731 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092075119 353843651 /nfs/dbraw/zinc/84/36/51/353843651.db2.gz CDXYFMOXDGDBNP-LSDHHAIUSA-N 0 1 322.336 1.999 20 5 DDBDMN COC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000150744684 354177050 /nfs/dbraw/zinc/17/70/50/354177050.db2.gz BNSIQRULKYGCTM-LBPRGKRZSA-N 0 1 306.322 1.872 20 5 DDBDMN O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586776411 354864683 /nfs/dbraw/zinc/86/46/83/354864683.db2.gz HGZMWSOLWUKSBC-LLVKDONJSA-N 0 1 305.334 1.515 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@](C)(C(N)=O)C2)c1 ZINC000589515643 354998976 /nfs/dbraw/zinc/99/89/76/354998976.db2.gz VSPOUUDQKKFIQC-OAHLLOKOSA-N 0 1 321.333 1.079 20 5 DDBDMN C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)C ZINC000589952813 355034643 /nfs/dbraw/zinc/03/46/43/355034643.db2.gz IKEYUHWCMMIJTM-JTQLQIEISA-N 0 1 304.350 1.685 20 5 DDBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2C1 ZINC000590378224 355079087 /nfs/dbraw/zinc/07/90/87/355079087.db2.gz HCNWMOLGPJSPCJ-UHFFFAOYSA-N 0 1 302.290 1.282 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000590558781 355114265 /nfs/dbraw/zinc/11/42/65/355114265.db2.gz UVYYGRDXFNNHFE-UHFFFAOYSA-N 0 1 316.277 1.320 20 5 DDBDMN CC[C@H]1[C@@H](CO)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590655920 355139033 /nfs/dbraw/zinc/13/90/33/355139033.db2.gz MZFNRPSVYUMKFS-YPMHNXCESA-N 0 1 322.361 1.959 20 5 DDBDMN Cc1ncc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000591770736 355381933 /nfs/dbraw/zinc/38/19/33/355381933.db2.gz PQMQSRYQZBSJNU-NSHDSACASA-N 0 1 307.306 1.421 20 5 DDBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593109387 355800907 /nfs/dbraw/zinc/80/09/07/355800907.db2.gz IWIBUZYRYAJFKV-QWRGUYRKSA-N 0 1 309.341 1.827 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H](C)C(C)(C)O)c1 ZINC000593029597 355774653 /nfs/dbraw/zinc/77/46/53/355774653.db2.gz CTSLGAVMKAXGFX-JTQLQIEISA-N 0 1 310.350 1.973 20 5 DDBDMN COCCN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593453955 355889459 /nfs/dbraw/zinc/88/94/59/355889459.db2.gz BTLSCISYMGEZEX-UHFFFAOYSA-N 0 1 316.361 1.911 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(C(F)F)CC1 ZINC000594772815 356313128 /nfs/dbraw/zinc/31/31/28/356313128.db2.gz NQXMIACEXXIPSF-UHFFFAOYSA-N 0 1 307.278 1.313 20 5 DDBDMN COc1cc(CN[C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1O ZINC000594985855 356368164 /nfs/dbraw/zinc/36/81/64/356368164.db2.gz AYIMBLUQARFXTN-KBPBESRZSA-N 0 1 308.334 1.702 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@@H](O)C13CCC3)OCCO2 ZINC000594988251 356368615 /nfs/dbraw/zinc/36/86/15/356368615.db2.gz OHNBFUYNIAYLGN-LSDHHAIUSA-N 0 1 320.345 1.759 20 5 DDBDMN CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595591778 356566197 /nfs/dbraw/zinc/56/61/97/356566197.db2.gz KAHGJZZLJJJWAE-UHFFFAOYSA-N 0 1 324.362 1.224 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595736341 356628253 /nfs/dbraw/zinc/62/82/53/356628253.db2.gz FAVGTCMYXPGLPT-BXUZGUMPSA-N 0 1 319.361 1.704 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)[C@](C)(CO)C1 ZINC000595869414 356685794 /nfs/dbraw/zinc/68/57/94/356685794.db2.gz CWGFIAOHWNAVAQ-OZVIIMIRSA-N 0 1 321.377 1.872 20 5 DDBDMN COC(=O)COc1ccc(C[N@@H+](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597252921 357111076 /nfs/dbraw/zinc/11/10/76/357111076.db2.gz CHPLUIRYVPKGGU-UHFFFAOYSA-N 0 1 324.333 1.103 20 5 DDBDMN COC(=O)COc1ccc(CN(C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597252921 357111079 /nfs/dbraw/zinc/11/10/79/357111079.db2.gz CHPLUIRYVPKGGU-UHFFFAOYSA-N 0 1 324.333 1.103 20 5 DDBDMN CCOc1ccc(C(=O)N2CCC3(CN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597572295 357232756 /nfs/dbraw/zinc/23/27/56/357232756.db2.gz OLOUIMWXGVBLMA-UHFFFAOYSA-N 0 1 319.361 1.771 20 5 DDBDMN CC(C)N(CCOCCO)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597628917 357261976 /nfs/dbraw/zinc/26/19/76/357261976.db2.gz LHCYKCZLROGQJB-UHFFFAOYSA-N 0 1 312.322 1.160 20 5 DDBDMN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN2C(C)(C)C)n1 ZINC000597860241 357362786 /nfs/dbraw/zinc/36/27/86/357362786.db2.gz MLQOYVBJABVMFX-JTQLQIEISA-N 0 1 309.370 1.414 20 5 DDBDMN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597925916 357385296 /nfs/dbraw/zinc/38/52/96/357385296.db2.gz YEQHDPLILCGKNW-JTQLQIEISA-N 0 1 308.338 1.298 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000597925916 357385298 /nfs/dbraw/zinc/38/52/98/357385298.db2.gz YEQHDPLILCGKNW-JTQLQIEISA-N 0 1 308.338 1.298 20 5 DDBDMN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000597921011 357381677 /nfs/dbraw/zinc/38/16/77/357381677.db2.gz DQVWGKOXBMCIAZ-SNVBAGLBSA-N 0 1 307.350 1.903 20 5 DDBDMN C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000598071710 357455222 /nfs/dbraw/zinc/45/52/22/357455222.db2.gz VHXBWOBHUDFUIP-QMTHXVAHSA-N 0 1 308.334 1.924 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598159593 357478041 /nfs/dbraw/zinc/47/80/41/357478041.db2.gz KGFUAFBXZNZYPO-UHFFFAOYSA-N 0 1 305.378 1.892 20 5 DDBDMN CN(CC1CN(C)C1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000598162016 357478582 /nfs/dbraw/zinc/47/85/82/357478582.db2.gz GIVSLEOONSKOGI-UHFFFAOYSA-N 0 1 306.366 1.417 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598786275 357728860 /nfs/dbraw/zinc/72/88/60/357728860.db2.gz SIKLJLKIBNRGMU-UWVGGRQHSA-N 0 1 310.354 1.532 20 5 DDBDMN Cc1cnc(N2CCC(C)(N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599160976 357833156 /nfs/dbraw/zinc/83/31/56/357833156.db2.gz RIOMHOOTRLHEFM-UHFFFAOYSA-N 0 1 320.393 1.989 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCCC2(C)C)n1 ZINC000599257915 357864854 /nfs/dbraw/zinc/86/48/54/357864854.db2.gz QGGKUSCUMPVBMA-JTQLQIEISA-N 0 1 316.383 1.575 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@H]1CCCOC1 ZINC000599359853 357908311 /nfs/dbraw/zinc/90/83/11/357908311.db2.gz GZARMRJTPGHKFC-SNVBAGLBSA-N 0 1 315.351 1.085 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)CCO)o2)cc1 ZINC000600178667 358148444 /nfs/dbraw/zinc/14/84/44/358148444.db2.gz ADBUJPYKHBXVLZ-UHFFFAOYSA-N 0 1 306.318 1.641 20 5 DDBDMN O=C(NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000600528247 358249140 /nfs/dbraw/zinc/24/91/40/358249140.db2.gz QOALUDXFZNWPHD-SNVBAGLBSA-N 0 1 313.741 1.045 20 5 DDBDMN CN(Cc1cnc[nH]1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601191810 358440971 /nfs/dbraw/zinc/44/09/71/358440971.db2.gz QOTCIVRRAXTSIZ-UHFFFAOYSA-N 0 1 304.232 1.707 20 5 DDBDMN CSc1ccc(C(=O)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000602559154 359045039 /nfs/dbraw/zinc/04/50/39/359045039.db2.gz UKDNNTXVXOJTFY-SNVBAGLBSA-N 0 1 311.363 1.035 20 5 DDBDMN COc1ccc2c(c1)CCN(Cc1cn(C)nc1[N+](=O)[O-])CC2 ZINC000602624473 359081283 /nfs/dbraw/zinc/08/12/83/359081283.db2.gz BOLAVMOEFJUHPB-UHFFFAOYSA-N 0 1 316.361 1.938 20 5 DDBDMN Cn1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602688714 359126094 /nfs/dbraw/zinc/12/60/94/359126094.db2.gz YHUUJWYWFNSLPV-UONOGXRCSA-N 0 1 308.382 1.701 20 5 DDBDMN Cn1cc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602688714 359126098 /nfs/dbraw/zinc/12/60/98/359126098.db2.gz YHUUJWYWFNSLPV-UONOGXRCSA-N 0 1 308.382 1.701 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000602836713 359227627 /nfs/dbraw/zinc/22/76/27/359227627.db2.gz GYFPVVHNNMRBDH-LBPRGKRZSA-N 0 1 324.772 1.897 20 5 DDBDMN Cn1cc(CN2CC3(CCOCC3)CC[C@H]2CO)c([N+](=O)[O-])n1 ZINC000602917645 359294195 /nfs/dbraw/zinc/29/41/95/359294195.db2.gz SVEZTOGQHJXZTJ-ZDUSSCGKSA-N 0 1 324.381 1.082 20 5 DDBDMN Cn1c(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000603142475 359431283 /nfs/dbraw/zinc/43/12/83/359431283.db2.gz MVMWJFKYMSUFJE-LBPRGKRZSA-N 0 1 308.382 1.736 20 5 DDBDMN CN1CCN(Cc2cn(Cc3csc([N+](=O)[O-])c3)nn2)CC1 ZINC000603205670 359479761 /nfs/dbraw/zinc/47/97/61/359479761.db2.gz HDNJMSOYOUXSMJ-UHFFFAOYSA-N 0 1 322.394 1.044 20 5 DDBDMN Cc1nc(CN2CCN(Cc3csc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000609849549 360356600 /nfs/dbraw/zinc/35/66/00/360356600.db2.gz UCLIYIPUFQWLFQ-UHFFFAOYSA-N 0 1 322.394 1.401 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCc3ncccc3C2)c1[N+](=O)[O-] ZINC000611011546 360601842 /nfs/dbraw/zinc/60/18/42/360601842.db2.gz BOTGIYJQFKBXKU-UHFFFAOYSA-N 0 1 301.306 1.474 20 5 DDBDMN CCCCN(CCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611249838 360679648 /nfs/dbraw/zinc/67/96/48/360679648.db2.gz AUANLXUZNJILCU-UHFFFAOYSA-N 0 1 310.350 1.960 20 5 DDBDMN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CCOC1 ZINC000611275762 360686903 /nfs/dbraw/zinc/68/69/03/360686903.db2.gz UGIJWDLWKVVTED-LLVKDONJSA-N 0 1 308.334 1.834 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccc2c(c1)OCO2 ZINC000611567810 360763168 /nfs/dbraw/zinc/76/31/68/360763168.db2.gz JLJMNDVTRAJBGJ-UHFFFAOYSA-N 0 1 318.333 1.960 20 5 DDBDMN NC(=O)[C@H]1CCCN1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000264627346 204039416 /nfs/dbraw/zinc/03/94/16/204039416.db2.gz SVXFDHZRCREMFL-GFCCVEGCSA-N 0 1 310.329 1.486 20 5 DDBDMN CCOC(=O)c1ccnc(NCCc2n[nH]c(C)n2)c1[N+](=O)[O-] ZINC000267534878 206130413 /nfs/dbraw/zinc/13/04/13/206130413.db2.gz XTVMIUWOMIDFCP-UHFFFAOYSA-N 0 1 320.309 1.248 20 5 DDBDMN CCOC(=O)c1ccnc(NCCc2nnc(C)[nH]2)c1[N+](=O)[O-] ZINC000267534878 206130416 /nfs/dbraw/zinc/13/04/16/206130416.db2.gz XTVMIUWOMIDFCP-UHFFFAOYSA-N 0 1 320.309 1.248 20 5 DDBDMN CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000267921752 206338895 /nfs/dbraw/zinc/33/88/95/206338895.db2.gz FJJKGXGFAYDBME-UHFFFAOYSA-N 0 1 307.350 1.832 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1nccs1 ZINC000336841756 249250411 /nfs/dbraw/zinc/25/04/11/249250411.db2.gz SHVJWGYPZYQVEA-UHFFFAOYSA-N 0 1 317.323 1.669 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3[nH]nnc3C2)c1 ZINC000338574932 250036249 /nfs/dbraw/zinc/03/62/49/250036249.db2.gz KQEHOHJWWZCZDQ-UHFFFAOYSA-N 0 1 317.305 1.310 20 5 DDBDMN CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339235133 250356796 /nfs/dbraw/zinc/35/67/96/250356796.db2.gz QYBJIEOUHMHNSV-ZDUSSCGKSA-N 0 1 317.305 1.004 20 5 DDBDMN CC[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000341042250 251350455 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COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](F)C1 ZINC000451189558 533224073 /nfs/dbraw/zinc/22/40/73/533224073.db2.gz FPFXJJDXFQVQSV-SNVBAGLBSA-N 0 1 311.313 1.976 20 5 DDBDMN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000121015907 195280602 /nfs/dbraw/zinc/28/06/02/195280602.db2.gz CZRZMWQBNWXNJS-MRVPVSSYSA-N 0 1 308.269 1.654 20 5 DDBDMN CO[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451578517 533415694 /nfs/dbraw/zinc/41/56/94/533415694.db2.gz XKIGOQXZHCKPGW-IINYFYTJSA-N 0 1 307.350 1.551 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000299508378 533660781 /nfs/dbraw/zinc/66/07/81/533660781.db2.gz FNASQMXYXJMAJT-LLVKDONJSA-N 0 1 303.322 1.942 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331773075 533663324 /nfs/dbraw/zinc/66/33/24/533663324.db2.gz FYWCBOMEXJBNNG-NWDGAFQWSA-N 0 1 322.365 1.640 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000294835812 533663511 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20 5 DDBDMN C[N@H+](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000166165671 162166072 /nfs/dbraw/zinc/16/60/72/162166072.db2.gz KWQUBOQZQCWMEP-SNVBAGLBSA-N 0 1 311.363 1.676 20 5 DDBDMN C[N@@H+](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000166165671 162166074 /nfs/dbraw/zinc/16/60/74/162166074.db2.gz KWQUBOQZQCWMEP-SNVBAGLBSA-N 0 1 311.363 1.676 20 5 DDBDMN COc1ccnc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000264085164 408362730 /nfs/dbraw/zinc/36/27/30/408362730.db2.gz IOFGYLBGMCFYFH-UHFFFAOYSA-N 0 1 315.333 1.720 20 5 DDBDMN COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173541958 162347845 /nfs/dbraw/zinc/34/78/45/162347845.db2.gz GJWRKIAQVCEZEK-HNNXBMFYSA-N 0 1 321.377 1.364 20 5 DDBDMN O=C(NC1CCC(O)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000247343382 408454913 /nfs/dbraw/zinc/45/49/13/408454913.db2.gz AWAKKMZLBXLAQL-UHFFFAOYSA-N 0 1 304.306 1.504 20 5 DDBDMN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264411344 408478837 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O=C1CCCN1[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000270858202 408711727 /nfs/dbraw/zinc/71/17/27/408711727.db2.gz HTWVJMCUVITGLF-CQSZACIVSA-N 0 1 319.361 1.670 20 5 DDBDMN Cc1c(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000285953354 408895861 /nfs/dbraw/zinc/89/58/61/408895861.db2.gz WHZJGQCERZADPG-CABCVRRESA-N 0 1 319.361 1.448 20 5 DDBDMN COC(=O)c1cnc(N[C@@H](C)Cc2cc(C)n[nH]2)c([N+](=O)[O-])c1 ZINC000276790481 408896944 /nfs/dbraw/zinc/89/69/44/408896944.db2.gz PMMSBRKBWKRSHA-QMMMGPOBSA-N 0 1 319.321 1.851 20 5 DDBDMN O=C(CCc1cnc[nH]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189539202 163105333 /nfs/dbraw/zinc/10/53/33/163105333.db2.gz VVRVCPUYYJOTPS-UHFFFAOYSA-N 0 1 300.278 1.766 20 5 DDBDMN Cc1cc(S(=O)(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000191856912 163205345 /nfs/dbraw/zinc/20/53/45/163205345.db2.gz RMQAGAOOCYZALM-UHFFFAOYSA-N 0 1 313.379 1.277 20 5 DDBDMN COc1ccc(OCCN2CC[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000292309047 409021744 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C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356798507 409617360 /nfs/dbraw/zinc/61/73/60/409617360.db2.gz GLOLHYMIOYYQEO-XPTSAGLGSA-N 0 1 305.334 1.513 20 5 DDBDMN C[C@H](CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)[S@@](C)=O ZINC000356804274 409620347 /nfs/dbraw/zinc/62/03/47/409620347.db2.gz OEVNJCJLCMAKMP-ZPWHCFADSA-N 0 1 300.336 1.187 20 5 DDBDMN CN(C)C(=O)NCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000348924734 409590601 /nfs/dbraw/zinc/59/06/01/409590601.db2.gz YJVJXLLZSDCOOK-UHFFFAOYSA-N 0 1 310.354 1.177 20 5 DDBDMN CC[C@H](C)N1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000296902476 409694565 /nfs/dbraw/zinc/69/45/65/409694565.db2.gz KNPHIVCJBMXIBO-ZDUSSCGKSA-N 0 1 321.377 1.916 20 5 DDBDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000297123774 409812775 /nfs/dbraw/zinc/81/27/75/409812775.db2.gz YVBCXUMBMLDEEI-LLVKDONJSA-N 0 1 306.366 1.733 20 5 DDBDMN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000320545014 409906401 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O=c1ccc([N+](=O)[O-])cn1CCSc1nc(C2CC2)n[nH]1 ZINC000121891305 195368519 /nfs/dbraw/zinc/36/85/19/195368519.db2.gz GBSFUUVGXRWKPN-UHFFFAOYSA-N 0 1 307.335 1.544 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCSc1n[nH]c(C2CC2)n1 ZINC000121891305 195368520 /nfs/dbraw/zinc/36/85/20/195368520.db2.gz GBSFUUVGXRWKPN-UHFFFAOYSA-N 0 1 307.335 1.544 20 5 DDBDMN O=C(NC1CC1)[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000054987137 407192552 /nfs/dbraw/zinc/19/25/52/407192552.db2.gz IPACYHGRJIEKNL-OAHLLOKOSA-N 0 1 303.362 1.880 20 5 DDBDMN CNC(=O)C1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051505312 407139742 /nfs/dbraw/zinc/13/97/42/407139742.db2.gz WJQDZPSUOHLVHH-UHFFFAOYSA-N 0 1 307.350 1.561 20 5 DDBDMN CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000103531831 407341681 /nfs/dbraw/zinc/34/16/81/407341681.db2.gz IUGAQZDVMSYXQK-UHFFFAOYSA-N 0 1 308.338 1.109 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCOC1 ZINC000178760043 407589766 /nfs/dbraw/zinc/58/97/66/407589766.db2.gz FNNGOLQTRZYCFE-LBPRGKRZSA-N 0 1 307.350 1.810 20 5 DDBDMN CC[C@H](CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267023322 407720100 /nfs/dbraw/zinc/72/01/00/407720100.db2.gz KUAYCEACGVSBHA-CYBMUJFWSA-N 0 1 311.357 1.622 20 5 DDBDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179148131 407738250 /nfs/dbraw/zinc/73/82/50/407738250.db2.gz UODBSBRXOLKICN-LBPRGKRZSA-N 0 1 321.333 1.221 20 5 DDBDMN Cc1cc(C2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)[nH]n1 ZINC000272030704 407746162 /nfs/dbraw/zinc/74/61/62/407746162.db2.gz BBVRPWUWUYTWRC-UHFFFAOYSA-N 0 1 318.337 1.678 20 5 DDBDMN CN(CC1(CO)CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000186785016 407770763 /nfs/dbraw/zinc/77/07/63/407770763.db2.gz XPZOUEPNCITEKX-CQSZACIVSA-N 0 1 319.361 1.404 20 5 DDBDMN CCOc1cc(N2CCN(C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000267201846 407787454 /nfs/dbraw/zinc/78/74/54/407787454.db2.gz JKPNESRNEWJLCB-LBPRGKRZSA-N 0 1 309.366 1.496 20 5 DDBDMN O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000132514622 407788110 /nfs/dbraw/zinc/78/81/10/407788110.db2.gz SXPDHTFKDCQBJZ-UHFFFAOYSA-N 0 1 317.240 1.494 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000262611508 407882063 /nfs/dbraw/zinc/88/20/63/407882063.db2.gz BYHWMXMKTLIGAP-LLVKDONJSA-N 0 1 321.333 1.638 20 5 DDBDMN CC(C)(C(=O)Nc1ccc2[nH]nnc2c1)n1cc([N+](=O)[O-])cn1 ZINC000153712339 407884370 /nfs/dbraw/zinc/88/43/70/407884370.db2.gz CIFSLLAHSNKCOT-UHFFFAOYSA-N 0 1 315.293 1.436 20 5 DDBDMN Cc1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717500 408051668 /nfs/dbraw/zinc/05/16/68/408051668.db2.gz HGWBWQIDUHATOL-KBPBESRZSA-N 0 1 307.394 1.790 20 5 DDBDMN Cc1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245717500 408051674 /nfs/dbraw/zinc/05/16/74/408051674.db2.gz HGWBWQIDUHATOL-KBPBESRZSA-N 0 1 307.394 1.790 20 5 DDBDMN COC(=O)[C@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000135382109 408009099 /nfs/dbraw/zinc/00/90/99/408009099.db2.gz ZBBGLROLQQQQPZ-OAHLLOKOSA-N 0 1 322.361 1.649 20 5 DDBDMN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000245793045 408068617 /nfs/dbraw/zinc/06/86/17/408068617.db2.gz OCSRTRQFEWPVLW-HORACTTISA-N 0 1 314.367 1.128 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2c2ncon2)c1[N+](=O)[O-] ZINC000273186185 408098479 /nfs/dbraw/zinc/09/84/79/408098479.db2.gz FUFWUAWLLNYKBK-VIFPVBQESA-N 0 1 320.309 1.767 20 5 DDBDMN O=C(NCC1(c2ccc(F)cc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000136412607 408103967 /nfs/dbraw/zinc/10/39/67/408103967.db2.gz MGNCOBNTNPSZHE-UHFFFAOYSA-N 0 1 304.281 1.919 20 5 DDBDMN C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137054313 408139426 /nfs/dbraw/zinc/13/94/26/408139426.db2.gz LZBOFVNJAVNIEN-NSHDSACASA-N 0 1 321.312 1.490 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000137054313 408139433 /nfs/dbraw/zinc/13/94/33/408139433.db2.gz LZBOFVNJAVNIEN-NSHDSACASA-N 0 1 321.312 1.490 20 5 DDBDMN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC000273571491 408251615 /nfs/dbraw/zinc/25/16/15/408251615.db2.gz KUEATRPDISYCJX-ZETCQYMHSA-N 0 1 308.273 1.123 20 5 DDBDMN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156333124 408252758 /nfs/dbraw/zinc/25/27/58/408252758.db2.gz AIQWVSWTQIRMNY-VIFPVBQESA-N 0 1 302.290 1.709 20 5 DDBDMN O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2nnc[nH]2)CCC1 ZINC000190355025 408225821 /nfs/dbraw/zinc/22/58/21/408225821.db2.gz KMSUASMZHMORQI-UHFFFAOYSA-N 0 1 317.305 1.287 20 5 DDBDMN CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000176086472 408282636 /nfs/dbraw/zinc/28/26/36/408282636.db2.gz VQQQHQIITQYYLO-SNVBAGLBSA-N 0 1 308.338 1.109 20 5 DDBDMN CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000176086472 408282640 /nfs/dbraw/zinc/28/26/40/408282640.db2.gz VQQQHQIITQYYLO-SNVBAGLBSA-N 0 1 308.338 1.109 20 5 DDBDMN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C[N@H+]1C1CC1 ZINC000158582139 408348207 /nfs/dbraw/zinc/34/82/07/408348207.db2.gz CWCHRZUXCWUAAS-ZJUUUORDSA-N 0 1 305.334 1.655 20 5 DDBDMN CN1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc21 ZINC000137715896 162127502 /nfs/dbraw/zinc/12/75/02/162127502.db2.gz GQPAPNOECHZFBP-SNVBAGLBSA-N 0 1 315.333 1.671 20 5 DDBDMN O=C(NC[C@H]1CC[C@H](O)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000191165560 408380709 /nfs/dbraw/zinc/38/07/09/408380709.db2.gz YNRSGDGSTLCPLJ-WPRPVWTQSA-N 0 1 304.306 1.362 20 5 DDBDMN C[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000274756764 408520968 /nfs/dbraw/zinc/52/09/68/408520968.db2.gz IUFNJSWYAQCKFH-DZGCQCFKSA-N 0 1 306.318 1.988 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264545899 408530067 /nfs/dbraw/zinc/53/00/67/408530067.db2.gz OFBOKHXSEIYRIR-ZDUSSCGKSA-N 0 1 307.350 1.354 20 5 DDBDMN C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC[C@H]21 ZINC000248490645 408576362 /nfs/dbraw/zinc/57/63/62/408576362.db2.gz ICOLOKMEFWGPPI-QWHCGFSZSA-N 0 1 319.361 1.857 20 5 DDBDMN CC(C)(O)C1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000275590728 408613062 /nfs/dbraw/zinc/61/30/62/408613062.db2.gz IEQUTNPIXVXMHI-ZDUSSCGKSA-N 0 1 310.350 1.037 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164612614 408800248 /nfs/dbraw/zinc/80/02/48/408800248.db2.gz CMLFEGHJPIUJIT-QWRGUYRKSA-N 0 1 321.333 1.718 20 5 DDBDMN CC(C)(C)[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000276760092 408895857 /nfs/dbraw/zinc/89/58/57/408895857.db2.gz GAJAGPWWIWVPHS-JTQLQIEISA-N 0 1 320.342 1.419 20 5 DDBDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189325225 163094857 /nfs/dbraw/zinc/09/48/57/163094857.db2.gz RZNKRRCBRKISND-WQAKAFBOSA-N 0 1 316.317 1.768 20 5 DDBDMN Cc1cc(OCC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000281760362 408925761 /nfs/dbraw/zinc/92/57/61/408925761.db2.gz SMXPQEIQVYPGGT-STQMWFEESA-N 0 1 321.377 1.833 20 5 DDBDMN Cc1csc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000184281750 306713663 /nfs/dbraw/zinc/71/36/63/306713663.db2.gz SIMKEBURZGWMCS-JTQLQIEISA-N 0 1 308.363 1.872 20 5 DDBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CN(C)C)c1C ZINC000286819442 408999887 /nfs/dbraw/zinc/99/98/87/408999887.db2.gz VAMNDZZHIAQTOG-JTQLQIEISA-N 0 1 315.395 1.440 20 5 DDBDMN C[C@H]1COCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000278012813 409051124 /nfs/dbraw/zinc/05/11/24/409051124.db2.gz VYBKQPLHVDEOIF-WCBMZHEXSA-N 0 1 318.326 1.437 20 5 DDBDMN C[C@@H](O)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000278801458 409092620 /nfs/dbraw/zinc/09/26/20/409092620.db2.gz RKVIOZUPGQINQM-MRVPVSSYSA-N 0 1 306.315 1.173 20 5 DDBDMN O=c1[nH]c(NCCN2CC=CCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287949834 409121019 /nfs/dbraw/zinc/12/10/19/409121019.db2.gz YHBFIYUXILGNFO-UHFFFAOYSA-N 0 1 315.333 1.917 20 5 DDBDMN O=C(N[C@H]1CCCN(CCCO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295502655 409319450 /nfs/dbraw/zinc/31/94/50/409319450.db2.gz PIEMXRPWXIXDQC-ZDUSSCGKSA-N 0 1 307.350 1.171 20 5 DDBDMN CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294295066 409273641 /nfs/dbraw/zinc/27/36/41/409273641.db2.gz MYDPAZADRQRMDC-JTQLQIEISA-N 0 1 315.395 1.651 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CN(C)CCN2C)c1 ZINC000322499186 164046654 /nfs/dbraw/zinc/04/66/54/164046654.db2.gz DAYWAOMJMLQIMJ-GFCCVEGCSA-N 0 1 322.365 1.039 20 5 DDBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@@H](CO)O2)c(Cl)c1 ZINC000353700601 164124347 /nfs/dbraw/zinc/12/43/47/164124347.db2.gz DGZXQHRNIHHWQU-RYUDHWBXSA-N 0 1 300.742 1.878 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408028971 164202580 /nfs/dbraw/zinc/20/25/80/164202580.db2.gz VMODWNOVYOAALR-NEPJUHHUSA-N 0 1 309.370 1.029 20 5 DDBDMN COc1c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000356728514 409557646 /nfs/dbraw/zinc/55/76/46/409557646.db2.gz FEOUQDHGNLNESO-CMPLNLGQSA-N 0 1 307.350 1.816 20 5 DDBDMN C[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])CS(C)(=O)=O ZINC000342301916 409570242 /nfs/dbraw/zinc/57/02/42/409570242.db2.gz NKCIRHREEJXORL-QWRGUYRKSA-N 0 1 300.380 1.926 20 5 DDBDMN Cc1ccc(S(=O)(=O)NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000337940580 409586070 /nfs/dbraw/zinc/58/60/70/409586070.db2.gz LFTDLVTUACMKQX-UHFFFAOYSA-N 0 1 313.379 1.276 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000356776756 409594222 /nfs/dbraw/zinc/59/42/22/409594222.db2.gz PWOYCUIKANAYFY-QWRGUYRKSA-N 0 1 306.318 1.799 20 5 DDBDMN COC(=O)Cc1ccc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000296910172 409700394 /nfs/dbraw/zinc/70/03/94/409700394.db2.gz ADUHCQVHRYHYJB-UHFFFAOYSA-N 0 1 305.294 1.065 20 5 DDBDMN C[C@@H]1[C@@H](C)N(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCN1C ZINC000356843268 409656927 /nfs/dbraw/zinc/65/69/27/409656927.db2.gz GIBLQKDZLQTATP-CHWSQXEVSA-N 0 1 320.393 1.582 20 5 DDBDMN COCCOC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000296851640 409666356 /nfs/dbraw/zinc/66/63/56/409666356.db2.gz UJZQQMCCVXTDPZ-INIZCTEOSA-N 0 1 324.377 1.583 20 5 DDBDMN Cc1cc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])nn3C)C2)n[nH]1 ZINC000338157559 409759047 /nfs/dbraw/zinc/75/90/47/409759047.db2.gz SQXKZOUKZZETDZ-JTQLQIEISA-N 0 1 318.337 1.380 20 5 DDBDMN CN(C[C@H](O)C(F)(F)F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000351771904 410221894 /nfs/dbraw/zinc/22/18/94/410221894.db2.gz TYRVXNIKAFPYEO-VIFPVBQESA-N 0 1 308.212 1.296 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339612241 410328377 /nfs/dbraw/zinc/32/83/77/410328377.db2.gz FQJOTUBRKVGDKM-RWMBFGLXSA-N 0 1 320.393 1.946 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2N)C[C@@H]1C ZINC000351940183 410354114 /nfs/dbraw/zinc/35/41/14/410354114.db2.gz ZUCYTKUUCNAYSQ-UWVGGRQHSA-N 0 1 307.354 1.127 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000347004173 410306299 /nfs/dbraw/zinc/30/62/99/410306299.db2.gz BGCTZCGMAQWNFM-CYBMUJFWSA-N 0 1 319.361 1.912 20 5 DDBDMN O=C(NCCCO[C@@H]1CCCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000298823285 410412159 /nfs/dbraw/zinc/41/21/59/410412159.db2.gz BGKFKLOTVGTQMW-CQSZACIVSA-N 0 1 324.333 1.964 20 5 DDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(CCO)[C@H](C)C1 ZINC000347387459 410514157 /nfs/dbraw/zinc/51/41/57/410514157.db2.gz ZWBCDWJGGLZYMM-BAAYTWLHSA-N 0 1 319.405 1.997 20 5 DDBDMN CN1CCC[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299210922 410569320 /nfs/dbraw/zinc/56/93/20/410569320.db2.gz CUKTUDNTPCVFLW-ZDUSSCGKSA-N 0 1 313.379 1.108 20 5 DDBDMN C[C@H]1CSC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000352346601 410638140 /nfs/dbraw/zinc/63/81/40/410638140.db2.gz SGCPTYDKNHOAGE-CBAPKCEASA-N 0 1 320.367 1.764 20 5 DDBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]nnc2C1 ZINC000359745383 410849616 /nfs/dbraw/zinc/84/96/16/410849616.db2.gz RUTAIXZNOPADFJ-UHFFFAOYSA-N 0 1 319.346 1.390 20 5 DDBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2COCCO2)c1 ZINC000340443701 410850121 /nfs/dbraw/zinc/85/01/21/410850121.db2.gz WTLZGWBFPNWRFA-NSHDSACASA-N 0 1 318.276 1.701 20 5 DDBDMN Cc1cccc2oc(CCNC(=O)c3n[nH]cc3[N+](=O)[O-])nc21 ZINC000343974944 410860214 /nfs/dbraw/zinc/86/02/14/410860214.db2.gz HYVSYZQEYKBUHJ-UHFFFAOYSA-N 0 1 315.289 1.740 20 5 DDBDMN CCn1cc(CCN2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000348318992 410916429 /nfs/dbraw/zinc/91/64/29/410916429.db2.gz KVRSBDMWIWKUIY-UHFFFAOYSA-N 0 1 301.350 1.807 20 5 DDBDMN NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356575735 411094334 /nfs/dbraw/zinc/09/43/34/411094334.db2.gz KMJUDHUUDDKFGC-WCBMZHEXSA-N 0 1 307.306 1.074 20 5 DDBDMN CC(C)(C)N1CC[C@H](NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC001120559203 782022728 /nfs/dbraw/zinc/02/27/28/782022728.db2.gz PDYWSSFQRWSUIO-UONOGXRCSA-N 0 1 321.377 1.617 20 5 DDBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000295640068 225073411 /nfs/dbraw/zinc/07/34/11/225073411.db2.gz FPYRHRMSQFPMFB-LLVKDONJSA-N 0 1 304.306 1.305 20 5 DDBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000360427222 418430948 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C[C@H](C(=O)NC(C)(C)c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC000349128948 409715733 /nfs/dbraw/zinc/71/57/33/409715733.db2.gz LPVCMENCABIOOH-ZETCQYMHSA-N 0 1 322.300 1.402 20 5 DDBDMN Cc1nn(C)c(C)c1CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346323743 409917597 /nfs/dbraw/zinc/91/75/97/409917597.db2.gz CPYFNHRSNMRXSS-UHFFFAOYSA-N 0 1 318.333 1.623 20 5 DDBDMN CCOC(=O)c1c[nH]c(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000339391500 410154081 /nfs/dbraw/zinc/15/40/81/410154081.db2.gz BHCUAVPLUIMJNH-UHFFFAOYSA-N 0 1 310.291 1.808 20 5 DDBDMN COC(=O)c1cnc(N[C@@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000357682295 410184870 /nfs/dbraw/zinc/18/48/70/410184870.db2.gz KERITXAMEGWMQK-GXSJLCMTSA-N 0 1 308.338 1.671 20 5 DDBDMN C[C@H](CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000357993515 410337188 /nfs/dbraw/zinc/33/71/88/410337188.db2.gz JLPIINXJQBLZCH-SSDOTTSWSA-N 0 1 308.273 1.123 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000299091396 410517807 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NC(=O)c1ccc(F)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356067452 410807681 /nfs/dbraw/zinc/80/76/81/410807681.db2.gz ZRJHOJLYWXZWEL-UHFFFAOYSA-N 0 1 319.248 1.791 20 5 DDBDMN C[C@@H]1CN(C)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000330675665 410869203 /nfs/dbraw/zinc/86/92/03/410869203.db2.gz SOFMGYCPAIBAKL-LLVKDONJSA-N 0 1 317.349 1.781 20 5 DDBDMN O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)nc2c1 ZINC000344041288 410914290 /nfs/dbraw/zinc/91/42/90/410914290.db2.gz IEIFVKSIBZPONF-NDMJEZRESA-N 0 1 303.318 1.939 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000344058426 410926892 /nfs/dbraw/zinc/92/68/92/410926892.db2.gz HXWNXQNBPFJYBZ-UHFFFAOYSA-N 0 1 303.322 2.502 20 5 DDBDMN Cn1cnc([N+](=O)[O-])c1N1CCC(CCN2CCOCC2)CC1 ZINC000337666988 410931326 /nfs/dbraw/zinc/93/13/26/410931326.db2.gz XAZNMTWBNHATIR-UHFFFAOYSA-N 0 1 323.397 1.267 20 5 DDBDMN COc1ccncc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000348434949 410964899 /nfs/dbraw/zinc/96/48/99/410964899.db2.gz WNESLQLPQAEMCR-UHFFFAOYSA-N 0 1 303.274 1.634 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCN(Cc2ccccc2F)CC1 ZINC000360156212 411079750 /nfs/dbraw/zinc/07/97/50/411079750.db2.gz CMLBGCGIGBJCBW-ZFWWWQNUSA-N 0 1 321.352 1.525 20 5 DDBDMN O=[N+]([O-])c1cc(CN2CC[C@H](CN3CCOCC3)C2)cs1 ZINC000129480178 196052251 /nfs/dbraw/zinc/05/22/51/196052251.db2.gz NAXQNTKGOAVSGW-GFCCVEGCSA-N 0 1 311.407 1.810 20 5 DDBDMN CC(C)(C)[N@H+]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000580649763 422946564 /nfs/dbraw/zinc/94/65/64/422946564.db2.gz SCMKXGNAFWQRDV-UHFFFAOYSA-N 0 1 322.365 1.999 20 5 DDBDMN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000133746370 196333261 /nfs/dbraw/zinc/33/32/61/196333261.db2.gz OCSRTRQFEWPVLW-JYFUKTADSA-N 0 1 314.367 1.128 20 5 DDBDMN CC(C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000360722631 418500750 /nfs/dbraw/zinc/50/07/50/418500750.db2.gz PLLYERSNYODXOQ-ZETCQYMHSA-N 0 1 307.314 1.061 20 5 DDBDMN Cn1cc(-c2ccccc2CNC(=O)[C@H]2CC2[N+](=O)[O-])cn1 ZINC000366976428 418546236 /nfs/dbraw/zinc/54/62/36/418546236.db2.gz IFBRNCQBFOZFNE-KBPBESRZSA-N 0 1 300.318 1.369 20 5 DDBDMN NC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375278910 418624418 /nfs/dbraw/zinc/62/44/18/418624418.db2.gz MNZFQHHWMCQRTR-INIZCTEOSA-N 0 1 319.361 1.696 20 5 DDBDMN O=C(N[C@]1(Cc2ccc(Cl)cc2)CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000375591056 418659239 /nfs/dbraw/zinc/65/92/39/418659239.db2.gz LCMYTTSLYSFJBP-NFAWXSAZSA-N 0 1 324.764 1.823 20 5 DDBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1CO ZINC000361658075 418697476 /nfs/dbraw/zinc/69/74/76/418697476.db2.gz XEWVWXRPWDWGSL-GWCFXTLKSA-N 0 1 308.334 1.522 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@]2(CCc3ccccc32)C1 ZINC000371292661 418776068 /nfs/dbraw/zinc/77/60/68/418776068.db2.gz CTQQVSJRMUATFF-XNRPHZJLSA-N 0 1 302.330 1.352 20 5 DDBDMN CC(=O)NCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000372062000 418834072 /nfs/dbraw/zinc/83/40/72/418834072.db2.gz CKQHKPKTVSAMOS-AGIUHOORSA-N 0 1 321.333 1.244 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000371869448 418822512 /nfs/dbraw/zinc/82/25/12/418822512.db2.gz HMIDWGLFNCGUTP-MFKMUULPSA-N 0 1 305.334 1.467 20 5 DDBDMN O=C(N[C@@H]1COc2cccc(Cl)c21)c1n[nH]cc1[N+](=O)[O-] ZINC000365682135 418893244 /nfs/dbraw/zinc/89/32/44/418893244.db2.gz UTTYCCGHSOVHGK-SSDOTTSWSA-N 0 1 308.681 1.835 20 5 DDBDMN Cc1c([C@@H](C)N[C@H]2CCC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000424314463 228258146 /nfs/dbraw/zinc/25/81/46/228258146.db2.gz KQAUJJZHRAVJJS-PWSUYJOCSA-N 0 1 305.334 1.701 20 5 DDBDMN COc1cc(CN2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000425974229 419376223 /nfs/dbraw/zinc/37/62/23/419376223.db2.gz LGIUCRBQQWZHIJ-WDEREUQCSA-N 0 1 310.350 1.815 20 5 DDBDMN COCC(COC)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411861866 419441662 /nfs/dbraw/zinc/44/16/62/419441662.db2.gz OGKXGMPAPFOWSH-UHFFFAOYSA-N 0 1 323.393 1.374 20 5 DDBDMN O=C(CNC[C@@H]1CCCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423718157 420140348 /nfs/dbraw/zinc/14/03/48/420140348.db2.gz CJHQAIOQZNIOLJ-JTQLQIEISA-N 0 1 319.321 1.178 20 5 DDBDMN C[C@H]1CC[S@](=O)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432474751 420244618 /nfs/dbraw/zinc/24/46/18/420244618.db2.gz DRNOWZJKNIVNKA-FPVGNUTFSA-N 0 1 312.347 1.284 20 5 DDBDMN NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H](N2CC=CC2)C1 ZINC000420600643 420328003 /nfs/dbraw/zinc/32/80/03/420328003.db2.gz MLFMCDYBYKGXMO-NSHDSACASA-N 0 1 302.334 1.144 20 5 DDBDMN CC1=CC[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436791291 420368487 /nfs/dbraw/zinc/36/84/87/420368487.db2.gz JIAYDGQZTOXDJG-UHFFFAOYSA-N 0 1 305.334 1.682 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553547 420417914 /nfs/dbraw/zinc/41/79/14/420417914.db2.gz UQQXAYIVEFIZGK-NSHDSACASA-N 0 1 303.322 1.711 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000439931103 420544677 /nfs/dbraw/zinc/54/46/77/420544677.db2.gz UYCAJBCREYHBDA-GHMZBOCLSA-N 0 1 308.338 1.515 20 5 DDBDMN C[C@@H](CN(C)C(=O)C=Cc1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000492576200 420596448 /nfs/dbraw/zinc/59/64/48/420596448.db2.gz PHWXDAKRMDNEJZ-DMEOUFDRSA-N 0 1 316.321 1.383 20 5 DDBDMN COC(=O)c1nc[nH]c1NC(=O)C=Cc1ccccc1[N+](=O)[O-] ZINC000492821260 420676047 /nfs/dbraw/zinc/67/60/47/420676047.db2.gz DEXPFXGBRIIFNR-VOTSOKGWSA-N 0 1 316.273 1.756 20 5 DDBDMN C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000440853052 420614288 /nfs/dbraw/zinc/61/42/88/420614288.db2.gz AXYHCMUDFHVXRL-LLVKDONJSA-N 0 1 319.408 1.324 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000452579373 420630798 /nfs/dbraw/zinc/63/07/98/420630798.db2.gz AOAQWPVZSSPXMY-IJLUTSLNSA-N 0 1 322.365 1.782 20 5 DDBDMN COC[C@@]1(CO)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000449696251 421061747 /nfs/dbraw/zinc/06/17/47/421061747.db2.gz KCALNIBYFNQFIW-HNNXBMFYSA-N 0 1 310.350 1.434 20 5 DDBDMN O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000496801005 421319844 /nfs/dbraw/zinc/31/98/44/421319844.db2.gz YLYLKFPBQLOOOE-LLVKDONJSA-N 0 1 321.333 1.575 20 5 DDBDMN Cc1nn(C)c(N2CCC[C@@H](N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000571581004 421728525 /nfs/dbraw/zinc/72/85/25/421728525.db2.gz GJTXWNQPDLWFPG-CYBMUJFWSA-N 0 1 323.397 1.328 20 5 DDBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000573332083 421946157 /nfs/dbraw/zinc/94/61/57/421946157.db2.gz LIASURGXZXSJOT-AWEZNQCLSA-N 0 1 316.317 1.475 20 5 DDBDMN O=c1[nH]cccc1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000577768387 422424435 /nfs/dbraw/zinc/42/44/35/422424435.db2.gz XXXVNFHVYLIBFV-UHFFFAOYSA-N 0 1 313.266 1.635 20 5 DDBDMN CN(Cc1nnc[nH]1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000179245373 263357056 /nfs/dbraw/zinc/35/70/56/263357056.db2.gz JNEWUSGXDYVRPH-UHFFFAOYSA-N 0 1 312.289 1.533 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@H](OC)C2)c1[N+](=O)[O-] ZINC000187711454 263411511 /nfs/dbraw/zinc/41/15/11/263411511.db2.gz HCCLYPFJHBSNGS-GXSJLCMTSA-N 0 1 310.354 1.767 20 5 DDBDMN O=C(NC[C@@H](O)Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345561300 272279299 /nfs/dbraw/zinc/27/92/99/272279299.db2.gz CLRIFFYOALNELS-HNNXBMFYSA-N 0 1 316.313 1.634 20 5 DDBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(O)cc1F ZINC000345608219 272290406 /nfs/dbraw/zinc/29/04/06/272290406.db2.gz NLTPFIKLNWBSAW-UHFFFAOYSA-N 0 1 314.660 1.928 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000345913770 272363390 /nfs/dbraw/zinc/36/33/90/272363390.db2.gz WANITMJPBZLHSB-WDEREUQCSA-N 0 1 309.370 1.041 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000345995707 272385262 /nfs/dbraw/zinc/38/52/62/272385262.db2.gz UKJCQTJZEKFKLP-QWHCGFSZSA-N 0 1 321.377 1.915 20 5 DDBDMN CC[C@@H](C)N1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000295932261 273716438 /nfs/dbraw/zinc/71/64/38/273716438.db2.gz HFWMAWHPTCQIBH-LLVKDONJSA-N 0 1 322.365 1.697 20 5 DDBDMN 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DDBDMN CC(C)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000072657504 353207058 /nfs/dbraw/zinc/20/70/58/353207058.db2.gz SXJHQADRYCKQQI-UHFFFAOYSA-N 0 1 321.377 1.774 20 5 DDBDMN C[C@@H](O)CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000174331972 198320912 /nfs/dbraw/zinc/32/09/12/198320912.db2.gz SIZUWVKBBFPGAA-CHWSQXEVSA-N 0 1 321.377 1.051 20 5 DDBDMN CC(C)OCC[NH+]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093586297 353902815 /nfs/dbraw/zinc/90/28/15/353902815.db2.gz XGBSPURKMYOZDY-UHFFFAOYSA-N 0 1 323.393 1.843 20 5 DDBDMN O=C1NCCN1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000332489649 235027323 /nfs/dbraw/zinc/02/73/23/235027323.db2.gz ZFPVMLFHMNUURT-UHFFFAOYSA-N 0 1 320.349 1.290 20 5 DDBDMN CCCCN(CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494425 354996133 /nfs/dbraw/zinc/99/61/33/354996133.db2.gz KBCNFLJEDOIVMW-UHFFFAOYSA-N 0 1 310.350 1.976 20 5 DDBDMN O=C(Nc1n[nH]c2ncnn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000590379828 355078733 /nfs/dbraw/zinc/07/87/33/355078733.db2.gz 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408176952 /nfs/dbraw/zinc/17/69/52/408176952.db2.gz SUENZZMPOSULBG-UKRRQHHQSA-N 0 1 319.361 1.695 20 5 DDBDMN Cc1c(C(=O)NC[C@@H](C)N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000263773609 408248961 /nfs/dbraw/zinc/24/89/61/408248961.db2.gz NJGXTDJQDDFTIN-GFCCVEGCSA-N 0 1 320.393 1.269 20 5 DDBDMN NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269297148 408258036 /nfs/dbraw/zinc/25/80/36/408258036.db2.gz RZUQEPBZZFGWPI-RYUDHWBXSA-N 0 1 307.306 1.074 20 5 DDBDMN NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269297147 408258107 /nfs/dbraw/zinc/25/81/07/408258107.db2.gz RZUQEPBZZFGWPI-NWDGAFQWSA-N 0 1 307.306 1.074 20 5 DDBDMN Cc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000190359892 408229457 /nfs/dbraw/zinc/22/94/57/408229457.db2.gz GUUATCLMRBQWRO-UHFFFAOYSA-N 0 1 301.306 1.831 20 5 DDBDMN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](C2CCC2)CC1 ZINC000269196746 408232440 /nfs/dbraw/zinc/23/24/40/408232440.db2.gz GQGBFRHYIZCMLW-UHFFFAOYSA-N 0 1 305.334 1.611 20 5 DDBDMN O=C(NC1CC1)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000269350099 408278226 /nfs/dbraw/zinc/27/82/26/408278226.db2.gz RKNZTFCJYYCDEQ-UHFFFAOYSA-N 0 1 316.321 1.260 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)c1[N+](=O)[O-] ZINC000269601112 408355840 /nfs/dbraw/zinc/35/58/40/408355840.db2.gz LAJXGRCMKSCTSW-RCOVLWMOSA-N 0 1 322.243 1.154 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(CCOC)CCOC)c1[N+](=O)[O-] ZINC000264612875 408541037 /nfs/dbraw/zinc/54/10/37/408541037.db2.gz ISCSNFCDYDOOOG-UHFFFAOYSA-N 0 1 314.342 1.005 20 5 DDBDMN CC(C)OC(=O)C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000184453465 408620515 /nfs/dbraw/zinc/62/05/15/408620515.db2.gz XTUUMZBHAFCUBC-CYBMUJFWSA-N 0 1 324.381 1.845 20 5 DDBDMN CCc1[nH]nc(C(=O)Nc2ccc3[nH]nnc3c2)c1[N+](=O)[O-] ZINC000178026005 408758860 /nfs/dbraw/zinc/75/88/60/408758860.db2.gz KKHJZAREBNRSJA-UHFFFAOYSA-N 0 1 301.266 1.404 20 5 DDBDMN COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185216492 408780915 /nfs/dbraw/zinc/78/09/15/408780915.db2.gz KZDOYIMKOBVUCI-LBPRGKRZSA-N 0 1 323.349 1.141 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285767963 408859877 /nfs/dbraw/zinc/85/98/77/408859877.db2.gz ZWVCYQSYRKDWIE-NSHDSACASA-N 0 1 322.287 1.571 20 5 DDBDMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000291648310 408900784 /nfs/dbraw/zinc/90/07/84/408900784.db2.gz WJFOXAWOJGCWFT-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291648310 408900788 /nfs/dbraw/zinc/90/07/88/408900788.db2.gz WJFOXAWOJGCWFT-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291648310 408900790 /nfs/dbraw/zinc/90/07/90/408900790.db2.gz WJFOXAWOJGCWFT-SNVBAGLBSA-N 0 1 310.354 1.546 20 5 DDBDMN C[C@H]1c2nncn2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000276949548 408903469 /nfs/dbraw/zinc/90/34/69/408903469.db2.gz SFEWNPOMZWTCBQ-QMMMGPOBSA-N 0 1 303.278 1.109 20 5 DDBDMN O=C1C[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276583946 408887838 /nfs/dbraw/zinc/88/78/38/408887838.db2.gz PAMMEWDSICUION-MBNYWOFBSA-N 0 1 320.345 1.530 20 5 DDBDMN O=C(Cc1ccn[nH]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188462831 163054478 /nfs/dbraw/zinc/05/44/78/163054478.db2.gz PQWFALHSLHGVIN-UHFFFAOYSA-N 0 1 302.290 1.150 20 5 DDBDMN Cc1cnc(N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c([N+](=O)[O-])c1 ZINC000286529260 408990512 /nfs/dbraw/zinc/99/05/12/408990512.db2.gz SDJBKNCGIPFQTI-SECBINFHSA-N 0 1 304.310 1.094 20 5 DDBDMN Cc1cc(N2CC[C@@H]3OCCN(C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000292336545 409026895 /nfs/dbraw/zinc/02/68/95/409026895.db2.gz BCPJIDISWIIAHN-CABCVRRESA-N 0 1 309.341 1.952 20 5 DDBDMN CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293346125 409093890 /nfs/dbraw/zinc/09/38/90/409093890.db2.gz HJPCPPQVOSMFDW-VIFPVBQESA-N 0 1 315.757 1.889 20 5 DDBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000294139013 409246465 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/nfs/dbraw/zinc/37/49/75/869374975.db2.gz JUKWDEBJXRENRW-UHFFFAOYSA-N 0 1 310.354 1.157 20 5 DDBDMN Cn1cc(N2CC[C@@H](NCc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC001337382014 869460849 /nfs/dbraw/zinc/46/08/49/869460849.db2.gz RSLZKGISZPJMRV-GFCCVEGCSA-N 0 1 319.340 1.836 20 5 DDBDMN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1c1ncc([N+](=O)[O-])s1 ZINC001337988691 869729940 /nfs/dbraw/zinc/72/99/40/869729940.db2.gz TUKDLLJLCHEMSQ-QMMMGPOBSA-N 0 1 300.340 1.037 20 5 DDBDMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ncc([N+](=O)[O-])s1 ZINC001337988691 869729946 /nfs/dbraw/zinc/72/99/46/869729946.db2.gz TUKDLLJLCHEMSQ-QMMMGPOBSA-N 0 1 300.340 1.037 20 5 DDBDMN N[C@@H]1CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1(F)F ZINC001166961088 870424549 /nfs/dbraw/zinc/42/45/49/870424549.db2.gz MUXYDMTWABJSPY-LLVKDONJSA-N 0 1 309.276 1.711 20 5 DDBDMN Cc1nc(C)c(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)[nH]1 ZINC001307319287 871419510 /nfs/dbraw/zinc/41/95/10/871419510.db2.gz CMZGXTTWYZFFEQ-UHFFFAOYSA-N 0 1 315.289 1.800 20 5 DDBDMN 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ZINC000278513716 214203327 /nfs/dbraw/zinc/20/33/27/214203327.db2.gz FJLDQMLXMSZKAJ-GXTWGEPZSA-N 0 1 312.366 1.439 20 5 DDBDMN CCc1nc(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])n[nH]1 ZINC000294841185 529741015 /nfs/dbraw/zinc/74/10/15/529741015.db2.gz BERVMYYSEMJKQZ-UHFFFAOYSA-N 0 1 304.310 1.247 20 5 DDBDMN CCc1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000452183416 529739505 /nfs/dbraw/zinc/73/95/05/529739505.db2.gz VTQUEQWHBLZIFF-UHFFFAOYSA-N 0 1 309.713 1.859 20 5 DDBDMN CCc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000266883388 282303491 /nfs/dbraw/zinc/30/34/91/282303491.db2.gz COYXFXMQPAGRHS-CQSZACIVSA-N 0 1 320.393 1.133 20 5 DDBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(C)C)CC1 ZINC000301095314 529932708 /nfs/dbraw/zinc/93/27/08/529932708.db2.gz JJDODGCGGJHSTO-UHFFFAOYSA-N 0 1 306.366 1.485 20 5 DDBDMN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1CC=CCC1 ZINC000279757547 215121186 /nfs/dbraw/zinc/12/11/86/215121186.db2.gz ACFCCODOJHHAJV-CMDGGOBGSA-N 0 1 301.346 1.986 20 5 DDBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1nnc[nH]1 ZINC000174522952 198347388 /nfs/dbraw/zinc/34/73/88/198347388.db2.gz FKZMYCBOGUYQCI-QMMMGPOBSA-N 0 1 304.310 1.270 20 5 DDBDMN COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)N1CCN(C)CC1 ZINC000080611189 353618003 /nfs/dbraw/zinc/61/80/03/353618003.db2.gz IKWGTFMBAMGEAI-CYBMUJFWSA-N 0 1 322.409 1.789 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000589503314 354998006 /nfs/dbraw/zinc/99/80/06/354998006.db2.gz RFSQEXSHCSMIDI-MRXNPFEDSA-N 0 1 320.345 1.994 20 5 DDBDMN CC(C)(CO)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000590537161 355108706 /nfs/dbraw/zinc/10/87/06/355108706.db2.gz BSWOBVPJRQEDIT-CYBMUJFWSA-N 0 1 318.333 1.808 20 5 DDBDMN C[C@@H]1COCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000590554879 355112761 /nfs/dbraw/zinc/11/27/61/355112761.db2.gz IZTLJYMCJUYPDG-LLVKDONJSA-N 0 1 323.349 1.513 20 5 DDBDMN C[C@H](CO)C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000593085703 355790181 /nfs/dbraw/zinc/79/01/81/355790181.db2.gz VNUDYQBQMAXBSM-LLVKDONJSA-N 0 1 321.377 1.534 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000593509076 355908343 /nfs/dbraw/zinc/90/83/43/355908343.db2.gz ZHOBYUYLMFOZRB-UHFFFAOYSA-N 0 1 318.337 1.044 20 5 DDBDMN O=C([O-])c1cccc2c1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000593750457 355985314 /nfs/dbraw/zinc/98/53/14/355985314.db2.gz GAHJANOLVYWCGI-UHFFFAOYSA-N 0 1 316.317 1.548 20 5 DDBDMN O=C(NCc1nccs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000080093485 192000792 /nfs/dbraw/zinc/00/07/92/192000792.db2.gz LMZMURAKCVUZSU-UHFFFAOYSA-N 0 1 303.303 1.858 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC12CCCCC2 ZINC000594767711 356311556 /nfs/dbraw/zinc/31/15/56/356311556.db2.gz MVVAIMZYCGJWPP-NSHDSACASA-N 0 1 311.363 1.991 20 5 DDBDMN CCC(CC)(CO)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594766806 356311639 /nfs/dbraw/zinc/31/16/39/356311639.db2.gz YBGPRLPNWFENLK-UHFFFAOYSA-N 0 1 317.367 1.067 20 5 DDBDMN Cc1noc(CN2CC[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595326048 356449854 /nfs/dbraw/zinc/44/98/54/356449854.db2.gz ILYSOYQCKQPKEW-LBPRGKRZSA-N 0 1 310.354 1.045 20 5 DDBDMN O=[N+]([O-])c1cncc(Cl)c1N1CCN(Cc2nnc[nH]2)CC1 ZINC000596293881 356847626 /nfs/dbraw/zinc/84/76/26/356847626.db2.gz FQKQSBNJAJSBLF-UHFFFAOYSA-N 0 1 323.744 1.084 20 5 DDBDMN CN(C)C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000596812955 356982932 /nfs/dbraw/zinc/98/29/32/356982932.db2.gz LAULZJQGGYVVRU-UHFFFAOYSA-N 0 1 318.377 1.338 20 5 DDBDMN CCOc1cc(CN2CCC(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000276853147 213135508 /nfs/dbraw/zinc/13/55/08/213135508.db2.gz DXWDNCIWELIPRN-UHFFFAOYSA-N 0 1 307.350 1.691 20 5 DDBDMN CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599216863 357853422 /nfs/dbraw/zinc/85/34/22/357853422.db2.gz YSBSTIZXRYIZQP-VHSXEESVSA-N 0 1 316.383 1.575 20 5 DDBDMN Cc1nn(C)c(N2CCC(C)(N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599161017 357833354 /nfs/dbraw/zinc/83/33/54/357833354.db2.gz UEOBEGUNDHQQFS-UHFFFAOYSA-N 0 1 323.397 1.328 20 5 DDBDMN CCC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC1 ZINC000599256042 357864206 /nfs/dbraw/zinc/86/42/06/357864206.db2.gz QEIGWRLEYQSQNK-UHFFFAOYSA-N 0 1 302.356 1.187 20 5 DDBDMN CC[C@H]1CCC[C@@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599320684 357891883 /nfs/dbraw/zinc/89/18/83/357891883.db2.gz RBVGPPLFBISBSM-VHSXEESVSA-N 0 1 316.383 1.433 20 5 DDBDMN Cc1ccc(NC(=O)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599695556 358029984 /nfs/dbraw/zinc/02/99/84/358029984.db2.gz MWHITPZXABXGOX-LBPRGKRZSA-N 0 1 308.338 1.091 20 5 DDBDMN COc1ccc(CC(=O)N2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000599952774 358088565 /nfs/dbraw/zinc/08/85/65/358088565.db2.gz RKLFSCZEFVULGD-UHFFFAOYSA-N 0 1 316.317 1.454 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600006816 358102080 /nfs/dbraw/zinc/10/20/80/358102080.db2.gz IGQNEFQYSMCWPU-UHFFFAOYSA-N 0 1 322.365 1.250 20 5 DDBDMN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000600674387 358278761 /nfs/dbraw/zinc/27/87/61/358278761.db2.gz MHZWCDNPGRIZTO-GFCCVEGCSA-N 0 1 306.278 1.068 20 5 DDBDMN CN(CCNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(F)F ZINC000600804326 358318945 /nfs/dbraw/zinc/31/89/45/358318945.db2.gz ZRUSPJJKRGFRKH-UHFFFAOYSA-N 0 1 303.265 1.227 20 5 DDBDMN O=C(CCCC[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180766252 199206242 /nfs/dbraw/zinc/20/62/42/199206242.db2.gz IMLVYYLENARELZ-UHFFFAOYSA-N 0 1 323.349 1.741 20 5 DDBDMN NC(=O)c1ccc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000298721246 283378666 /nfs/dbraw/zinc/37/86/66/283378666.db2.gz KPHNFGQNGOTFNK-UHFFFAOYSA-N 0 1 304.350 1.226 20 5 DDBDMN C[C@](CO)(NCCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000602962380 359325195 /nfs/dbraw/zinc/32/51/95/359325195.db2.gz KCLKSMMDDYETHZ-JKSUJKDBSA-N 0 1 324.377 1.935 20 5 DDBDMN C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1C(C)(C)C ZINC000603144069 359433410 /nfs/dbraw/zinc/43/34/10/359433410.db2.gz VQENQIOOQQLVDV-LBPRGKRZSA-N 0 1 322.365 1.498 20 5 DDBDMN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1C(C)(C)C ZINC000603144069 359433417 /nfs/dbraw/zinc/43/34/17/359433417.db2.gz VQENQIOOQQLVDV-LBPRGKRZSA-N 0 1 322.365 1.498 20 5 DDBDMN O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186919717 200031355 /nfs/dbraw/zinc/03/13/55/200031355.db2.gz CWAHFFQYEKVUAN-IJLUTSLNSA-N 0 1 308.338 1.509 20 5 DDBDMN Cc1nn(C)c(N2CCC(N3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000603401244 359617596 /nfs/dbraw/zinc/61/75/96/359617596.db2.gz KLAPQGZBMONJCR-LLVKDONJSA-N 0 1 323.397 1.326 20 5 DDBDMN Cc1cc(S(=O)(=O)N[C@@H](C)C(F)F)c(F)cc1[N+](=O)[O-] ZINC000603421570 359630674 /nfs/dbraw/zinc/63/06/74/359630674.db2.gz BCNWJARBIJCCKG-LURJTMIESA-N 0 1 312.269 1.974 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC(Oc3ccccc3)C2)c1[N+](=O)[O-] ZINC000609147171 360266926 /nfs/dbraw/zinc/26/69/26/360266926.db2.gz NVDMFCDFQFRMCW-UHFFFAOYSA-N 0 1 302.290 1.530 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000610067358 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CCCc1[nH]nc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000330600203 410814228 /nfs/dbraw/zinc/81/42/28/410814228.db2.gz FQIZJXFWBXMKHV-UWVGGRQHSA-N 0 1 309.370 1.435 20 5 DDBDMN O=[N+]([O-])c1ccc2oc(CN3C[C@@H]4CC[C@H](O)[C@H]4C3)nc2c1 ZINC000344041285 410915070 /nfs/dbraw/zinc/91/50/70/410915070.db2.gz IEIFVKSIBZPONF-GAFUQQFSSA-N 0 1 303.318 1.939 20 5 DDBDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356465705 411045989 /nfs/dbraw/zinc/04/59/89/411045989.db2.gz YVFLXXRTUGBDRT-MNOVXSKESA-N 0 1 309.370 1.179 20 5 DDBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000353562270 411065307 /nfs/dbraw/zinc/06/53/07/411065307.db2.gz MJFIFXMDUDLLJE-UHFFFAOYSA-N 0 1 300.225 1.399 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC([C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000373433319 418427546 /nfs/dbraw/zinc/42/75/46/418427546.db2.gz YTCFGUBKLLLBTH-SECBINFHSA-N 0 1 308.338 1.379 20 5 DDBDMN Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375130604 418608751 /nfs/dbraw/zinc/60/87/51/418608751.db2.gz JASDOPRWXWDSAK-GHMZBOCLSA-N 0 1 320.349 1.313 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000361277475 418617419 /nfs/dbraw/zinc/61/74/19/418617419.db2.gz BHRNSGRLDSUAJH-SNVBAGLBSA-N 0 1 315.333 1.404 20 5 DDBDMN O=C(c1cccs1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000361388160 418641121 /nfs/dbraw/zinc/64/11/21/418641121.db2.gz CIBMKIFCIKVSKU-GHMZBOCLSA-N 0 1 308.359 1.835 20 5 DDBDMN O=C(c1cccs1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000361388163 418641492 /nfs/dbraw/zinc/64/14/92/418641492.db2.gz CIBMKIFCIKVSKU-WDEREUQCSA-N 0 1 308.359 1.835 20 5 DDBDMN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000361277474 418617717 /nfs/dbraw/zinc/61/77/17/418617717.db2.gz BHRNSGRLDSUAJH-JTQLQIEISA-N 0 1 315.333 1.404 20 5 DDBDMN O=[N+]([O-])c1cnn([C@@H]2CCCN(c3ncnc4[nH]cnc43)C2)c1 ZINC000375390175 418634150 /nfs/dbraw/zinc/63/41/50/418634150.db2.gz JJMGUBAWCISVHS-SECBINFHSA-N 0 1 314.309 1.299 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000368171832 418698975 /nfs/dbraw/zinc/69/89/75/418698975.db2.gz VNVQSTSXLMAPED-XJKCOSOUSA-N 0 1 302.330 1.648 20 5 DDBDMN COC(=O)C[C@@]1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCOC1 ZINC000361729277 418702999 /nfs/dbraw/zinc/70/29/99/418702999.db2.gz NRDPWZQDYPSNRJ-HNNXBMFYSA-N 0 1 324.333 1.415 20 5 DDBDMN O=C(Nc1nn[nH]n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361729044 418703523 /nfs/dbraw/zinc/70/35/23/418703523.db2.gz ZXLYJZNSCJSFDB-UHFFFAOYSA-N 0 1 302.172 1.379 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1OCc1nc(C(C)(C)N)no1 ZINC000387044597 418741725 /nfs/dbraw/zinc/74/17/25/418741725.db2.gz OUVYIFVWOIVQEX-UHFFFAOYSA-N 0 1 308.294 1.759 20 5 DDBDMN CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000372307229 418853903 /nfs/dbraw/zinc/85/39/03/418853903.db2.gz JRQPZCDNXALCJB-CABCVRRESA-N 0 1 302.330 1.482 20 5 DDBDMN O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)[C@@H]1CC1[N+](=O)[O-] ZINC000365590527 418879974 /nfs/dbraw/zinc/87/99/74/418879974.db2.gz ZJWIACWEWPDOGU-ZYHUDNBSSA-N 0 1 304.281 1.497 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000365970342 418926663 /nfs/dbraw/zinc/92/66/63/418926663.db2.gz QVYIWBHPWVVDAT-FOGDFJRCSA-N 0 1 309.297 1.256 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](Oc2ncccc2F)C1 ZINC000365970344 418926737 /nfs/dbraw/zinc/92/67/37/418926737.db2.gz QVYIWBHPWVVDAT-UMNHJUIQSA-N 0 1 309.297 1.256 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000421796952 419734512 /nfs/dbraw/zinc/73/45/12/419734512.db2.gz ADBSJSBOAPRKCY-SNVBAGLBSA-N 0 1 318.337 1.600 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000421992611 419795503 /nfs/dbraw/zinc/79/55/03/419795503.db2.gz XDFBCNODFZUUQG-ZJUUUORDSA-N 0 1 310.354 1.532 20 5 DDBDMN CNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430237705 420094596 /nfs/dbraw/zinc/09/45/96/420094596.db2.gz PKCYTMKOQBPCKU-GFCCVEGCSA-N 0 1 307.350 1.561 20 5 DDBDMN COc1cc(N2CC[C@H](c3nc[nH]n3)C2)c(F)cc1[N+](=O)[O-] ZINC000425286062 420339516 /nfs/dbraw/zinc/33/95/16/420339516.db2.gz PSKGPOLBGXQWKV-QMMMGPOBSA-N 0 1 307.285 1.855 20 5 DDBDMN CC(C)[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000440422142 420575611 /nfs/dbraw/zinc/57/56/11/420575611.db2.gz CYAZGJRPSNAMBV-VIFPVBQESA-N 0 1 321.786 1.510 20 5 DDBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000493328805 420820883 /nfs/dbraw/zinc/82/08/83/420820883.db2.gz VVPIKSATFQMCPD-GCLPIYDQSA-N 0 1 313.317 1.742 20 5 DDBDMN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000495931170 421097128 /nfs/dbraw/zinc/09/71/28/421097128.db2.gz QDJSQGCYINMTJM-HBNTYKKESA-N 0 1 313.354 1.167 20 5 DDBDMN CC1(C)COC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456517424 421177190 /nfs/dbraw/zinc/17/71/90/421177190.db2.gz LDMWDPOCOMMGOO-LLVKDONJSA-N 0 1 304.306 1.626 20 5 DDBDMN C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000548369114 421428990 /nfs/dbraw/zinc/42/89/90/421428990.db2.gz PZNUKKPWFBQTEI-LLVKDONJSA-N 0 1 313.379 1.357 20 5 DDBDMN CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548453965 421440541 /nfs/dbraw/zinc/44/05/41/421440541.db2.gz ZUECYKYJSJWGPO-ZDUSSCGKSA-N 0 1 322.317 1.857 20 5 DDBDMN C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CC(C)C1 ZINC000514871809 421462669 /nfs/dbraw/zinc/46/26/69/421462669.db2.gz KMAGTTILCKSINF-ZDUSSCGKSA-N 0 1 305.378 1.936 20 5 DDBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCC(=O)C1 ZINC000516473701 421546063 /nfs/dbraw/zinc/54/60/63/421546063.db2.gz VRACIVKJSKMUDF-SECBINFHSA-N 0 1 315.289 1.688 20 5 DDBDMN COc1ccc(CN(C)[C@H](CO)COC(C)C)cc1[N+](=O)[O-] ZINC000519853566 421734528 /nfs/dbraw/zinc/73/45/28/421734528.db2.gz WJLXBRZFMPNRGO-CYBMUJFWSA-N 0 1 312.366 1.821 20 5 DDBDMN O=[N+]([O-])c1cnc(N2CCN(CC3CCOCC3)CC2)c(F)c1 ZINC000571741010 421739108 /nfs/dbraw/zinc/73/91/08/421739108.db2.gz DRWKQJAKZJDGST-UHFFFAOYSA-N 0 1 324.356 1.678 20 5 DDBDMN C[C@H](C(=O)NC1(c2nn[nH]n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580989158 421877546 /nfs/dbraw/zinc/87/75/46/421877546.db2.gz OYWOYOVAIWWVNH-QMMMGPOBSA-N 0 1 302.294 1.017 20 5 DDBDMN COC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000314991971 271013820 /nfs/dbraw/zinc/01/38/20/271013820.db2.gz RPOLRURTQURJFU-SNVBAGLBSA-N 0 1 320.342 1.683 20 5 DDBDMN O=C1CC[C@@H](NCc2c(F)cccc2[N+](=O)[O-])[C@H](C2CC2)N1 ZINC000342073945 271291397 /nfs/dbraw/zinc/29/13/97/271291397.db2.gz ZIFPQVWMYCNGLE-DOMZBBRYSA-N 0 1 307.325 1.881 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000344412365 272018368 /nfs/dbraw/zinc/01/83/68/272018368.db2.gz CWGZGYJXMXKTLN-RYUDHWBXSA-N 0 1 309.370 1.123 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCOCC3(CC3)C2)c1[N+](=O)[O-] ZINC000408177007 278000515 /nfs/dbraw/zinc/00/05/15/278000515.db2.gz KSNVJVOAUDWPKH-UHFFFAOYSA-N 0 1 308.338 1.694 20 5 DDBDMN Cc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])nn2C)n[nH]1 ZINC000338159395 293383244 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CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC[N@@H+](C)C1 ZINC000592828757 355705707 /nfs/dbraw/zinc/70/57/07/355705707.db2.gz JBROEBFSOMBSAL-LBPRGKRZSA-N 0 1 307.350 1.857 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000593829960 356014161 /nfs/dbraw/zinc/01/41/61/356014161.db2.gz ISYGGNXWAYGZSG-JTQLQIEISA-N 0 1 324.381 1.751 20 5 DDBDMN CCOC(=O)CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)C ZINC000594414707 356203321 /nfs/dbraw/zinc/20/33/21/356203321.db2.gz XUCUAEDGCSEHFG-UHFFFAOYSA-N 0 1 312.326 1.430 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1CCSCC1 ZINC000594756135 356309044 /nfs/dbraw/zinc/30/90/44/356309044.db2.gz XQARXFCDDYKNSM-UHFFFAOYSA-N 0 1 317.392 1.411 20 5 DDBDMN CCn1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nn1 ZINC000595066589 356378351 /nfs/dbraw/zinc/37/83/51/356378351.db2.gz AYGIISWFURAKIJ-QWHCGFSZSA-N 0 1 319.369 1.676 20 5 DDBDMN CC(C)(CO)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595373160 356469733 /nfs/dbraw/zinc/46/97/33/356469733.db2.gz XAVNCFWICOFUKY-UHFFFAOYSA-N 0 1 311.357 1.622 20 5 DDBDMN O=[N+]([O-])c1ccc(-c2nnc(CN[C@@H](CO)C3CCC3)o2)cc1 ZINC000595615072 356577798 /nfs/dbraw/zinc/57/77/98/356577798.db2.gz GBGMOQXQRALVQG-ZDUSSCGKSA-N 0 1 318.333 1.895 20 5 DDBDMN CCOc1cc(CNC2(C(N)=O)CCOCC2)ccc1[N+](=O)[O-] ZINC000595729940 356625346 /nfs/dbraw/zinc/62/53/46/356625346.db2.gz XHCDOUSGFXODOW-UHFFFAOYSA-N 0 1 323.349 1.118 20 5 DDBDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595885469 356691017 /nfs/dbraw/zinc/69/10/17/356691017.db2.gz IBCSTPNKUAZTRY-UHFFFAOYSA-N 0 1 323.349 1.626 20 5 DDBDMN COCc1nc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000596436128 356880143 /nfs/dbraw/zinc/88/01/43/356880143.db2.gz LECRGQXYMBFJJT-UHFFFAOYSA-N 0 1 305.294 1.674 20 5 DDBDMN COCc1nnc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])[nH]1 ZINC000596436128 356880148 /nfs/dbraw/zinc/88/01/48/356880148.db2.gz LECRGQXYMBFJJT-UHFFFAOYSA-N 0 1 305.294 1.674 20 5 DDBDMN CN1CC2(C1)CCN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000597571951 357232894 /nfs/dbraw/zinc/23/28/94/357232894.db2.gz LZIITGICSOVGIO-UHFFFAOYSA-N 0 1 321.402 1.851 20 5 DDBDMN COc1cccc(C(=O)N2CCC3(CN(C)C3)C2)c1[N+](=O)[O-] ZINC000597572306 357233116 /nfs/dbraw/zinc/23/31/16/357233116.db2.gz OWOIFTGMVGEQJF-UHFFFAOYSA-N 0 1 305.334 1.381 20 5 DDBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000597622786 357259581 /nfs/dbraw/zinc/25/95/81/357259581.db2.gz MZXANYDPZXXWEM-UHFFFAOYSA-N 0 1 321.293 1.042 20 5 DDBDMN C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1CCO ZINC000598071708 357454818 /nfs/dbraw/zinc/45/48/18/357454818.db2.gz VHXBWOBHUDFUIP-IINYFYTJSA-N 0 1 308.334 1.924 20 5 DDBDMN C[C@H](C(=O)N(C)CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000598162141 357478490 /nfs/dbraw/zinc/47/84/90/357478490.db2.gz VYVZFZSSSDZLPY-JTQLQIEISA-N 0 1 309.341 1.857 20 5 DDBDMN COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000598433101 357577395 /nfs/dbraw/zinc/57/73/95/357577395.db2.gz IYHWDSYZQHGAND-AOOOYVTPSA-N 0 1 308.290 1.324 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2Cc3cnn(C)c3C2)c1[N+](=O)[O-] ZINC000598936221 357763550 /nfs/dbraw/zinc/76/35/50/357763550.db2.gz NFNSVVLYRJMXQE-UHFFFAOYSA-N 0 1 304.310 1.331 20 5 DDBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cnc[nH]1 ZINC000599356959 357907550 /nfs/dbraw/zinc/90/75/50/357907550.db2.gz PHLLDOIGSJNGFO-UHFFFAOYSA-N 0 1 310.335 1.359 20 5 DDBDMN CCOC(=O)C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000599425383 357930004 /nfs/dbraw/zinc/93/00/04/357930004.db2.gz DPLGEPGYSSSTOP-LLVKDONJSA-N 0 1 310.350 1.734 20 5 DDBDMN CC(=O)NC[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000599688973 358025953 /nfs/dbraw/zinc/02/59/53/358025953.db2.gz GYQVKBAISPCEAG-ZDUSSCGKSA-N 0 1 307.350 1.791 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CC[C@H](O)C1 ZINC000599780221 358056857 /nfs/dbraw/zinc/05/68/57/358056857.db2.gz UEDOPZDXTLIDAL-LBPRGKRZSA-N 0 1 322.365 1.400 20 5 DDBDMN O=C(NCCN1CC[C@H](O)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000600809577 358320923 /nfs/dbraw/zinc/32/09/23/358320923.db2.gz VIEDSHLOXWFURH-LBPRGKRZSA-N 0 1 319.317 1.137 20 5 DDBDMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000600868624 358332867 /nfs/dbraw/zinc/33/28/67/358332867.db2.gz IOEVKVNKWCUVOJ-NSHDSACASA-N 0 1 321.333 1.216 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCCCN(C)C1=O ZINC000601976240 358762713 /nfs/dbraw/zinc/76/27/13/358762713.db2.gz OVXQFGDAQMUICC-LBPRGKRZSA-N 0 1 309.370 1.042 20 5 DDBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000602867413 359251829 /nfs/dbraw/zinc/25/18/29/359251829.db2.gz SXOYXOHYYHGNOS-LBPRGKRZSA-N 0 1 316.365 1.592 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000602822145 359216497 /nfs/dbraw/zinc/21/64/97/359216497.db2.gz SBXDMTKMXLQUNQ-OAHLLOKOSA-N 0 1 324.381 1.370 20 5 DDBDMN C[C@@]12CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000602934744 359304439 /nfs/dbraw/zinc/30/44/39/359304439.db2.gz JHJRYDDKHIYJOY-GJZGRUSLSA-N 0 1 321.308 1.219 20 5 DDBDMN COc1cc(CN2C[C@@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964606 359327451 /nfs/dbraw/zinc/32/74/51/359327451.db2.gz RWDUEEYRCIIWSC-SWLSCSKDSA-N 0 1 310.350 1.575 20 5 DDBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CCO ZINC000187688124 200145072 /nfs/dbraw/zinc/14/50/72/200145072.db2.gz LFKFMYYOLJLXNB-LLVKDONJSA-N 0 1 313.785 1.747 20 5 DDBDMN CN1CCC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000604198285 359724831 /nfs/dbraw/zinc/72/48/31/359724831.db2.gz FLIZECBHDHLYLN-JTQLQIEISA-N 0 1 321.333 1.190 20 5 DDBDMN Cc1[nH]ncc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000281085608 216069391 /nfs/dbraw/zinc/06/93/91/216069391.db2.gz CJDYAHKEGIFYRH-UHFFFAOYSA-N 0 1 324.362 1.288 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCN([C@@H]4CCOC4)CC3)nc2c1 ZINC000618587907 363684080 /nfs/dbraw/zinc/68/40/80/363684080.db2.gz AMYBSPPRYKTZEZ-GFCCVEGCSA-N 0 1 317.349 1.382 20 5 DDBDMN COc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000610447494 360438438 /nfs/dbraw/zinc/43/84/38/360438438.db2.gz ODZGYKRHHIDUPP-UHFFFAOYSA-N 0 1 320.349 1.941 20 5 DDBDMN Cc1nccc([C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000610485030 360447689 /nfs/dbraw/zinc/44/76/89/360447689.db2.gz ZTJODGNTFQBSTG-ZDUSSCGKSA-N 0 1 316.365 1.769 20 5 DDBDMN CCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611087605 360618444 /nfs/dbraw/zinc/61/84/44/360618444.db2.gz YAMJNRRRANMUFK-GFCCVEGCSA-N 0 1 307.350 1.526 20 5 DDBDMN CC[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O ZINC000611287541 360690427 /nfs/dbraw/zinc/69/04/27/360690427.db2.gz HFCOGYMXJSLJBM-ZWNOBZJWSA-N 0 1 308.334 1.569 20 5 DDBDMN COC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOCC1 ZINC000611559176 360759938 /nfs/dbraw/zinc/75/99/38/360759938.db2.gz YSGWNZJHYPEOBW-UHFFFAOYSA-N 0 1 310.306 1.226 20 5 DDBDMN C[NH+](C)CC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000193994719 201159201 /nfs/dbraw/zinc/15/92/01/201159201.db2.gz ABDOGJGNRISBDW-UHFFFAOYSA-N 0 1 322.365 1.547 20 5 DDBDMN C[S@](=O)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC1 ZINC000281495782 216340238 /nfs/dbraw/zinc/34/02/38/216340238.db2.gz IZWXZCLFRSMBJS-NRFANRHFSA-N 0 1 312.347 1.331 20 5 DDBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CCc1nc[nH]n1 ZINC000359133981 299336114 /nfs/dbraw/zinc/33/61/14/299336114.db2.gz CBPREBZLPIGNEW-UHFFFAOYSA-N 0 1 303.322 1.347 20 5 DDBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nnc[nH]1 ZINC000264708483 204093169 /nfs/dbraw/zinc/09/31/69/204093169.db2.gz DKNGTHUFZUGTQS-UHFFFAOYSA-N 0 1 304.310 1.221 20 5 DDBDMN C[C@H](O)C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000264762860 204139172 /nfs/dbraw/zinc/13/91/72/204139172.db2.gz YOFSFVUVQPENKP-JTQLQIEISA-N 0 1 307.350 1.287 20 5 DDBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CN2CCC1CC2 ZINC000336867690 249274251 /nfs/dbraw/zinc/27/42/51/249274251.db2.gz SRDHCBSIEMXOJQ-ZDUSSCGKSA-N 0 1 304.350 1.343 20 5 DDBDMN Cc1ccc(CN2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000284504883 218055593 /nfs/dbraw/zinc/05/55/93/218055593.db2.gz XXKNHUTVJNGTLR-HZPDHXFCSA-N 0 1 305.378 1.808 20 5 DDBDMN Cc1cccc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000567679078 304233816 /nfs/dbraw/zinc/23/38/16/304233816.db2.gz KBFUREYKKQWYNQ-HNNXBMFYSA-N 0 1 317.345 1.828 20 5 DDBDMN CC(C)C[C@@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000270184170 208246773 /nfs/dbraw/zinc/24/67/73/208246773.db2.gz CSNIBIZSUABIDC-VIFPVBQESA-N 0 1 306.322 1.608 20 5 DDBDMN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000288669902 220336464 /nfs/dbraw/zinc/33/64/64/220336464.db2.gz ZFCNQZIRMPSUQE-CYBMUJFWSA-N 0 1 307.350 1.171 20 5 DDBDMN CSc1n[nH]c(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000299483763 533089185 /nfs/dbraw/zinc/08/91/85/533089185.db2.gz DHZBPODEJUXADF-UHFFFAOYSA-N 0 1 322.350 1.876 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1O ZINC000158534737 197281789 /nfs/dbraw/zinc/28/17/89/197281789.db2.gz QOIRSGJYUOULSK-ONGXEEELSA-N 0 1 318.326 1.316 20 5 DDBDMN CS[C@H](C)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000157889416 197224222 /nfs/dbraw/zinc/22/42/22/197224222.db2.gz WWYPWYFOZKTKOU-SSDOTTSWSA-N 0 1 308.356 1.764 20 5 DDBDMN O=c1nc([C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000285567496 296533951 /nfs/dbraw/zinc/53/39/51/296533951.db2.gz JPQZCCIIHFNLMN-MRVPVSSYSA-N 0 1 307.285 1.529 20 5 DDBDMN COC(=O)[C@H]1C[C@H](OC)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353555185 285799607 /nfs/dbraw/zinc/79/96/07/285799607.db2.gz MXEVHLSXYSIFAY-WCQYABFASA-N 0 1 310.306 1.063 20 5 DDBDMN CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000569691427 304375095 /nfs/dbraw/zinc/37/50/95/304375095.db2.gz JMZCMGIGHFUBHV-UHFFFAOYSA-N 0 1 308.338 1.157 20 5 DDBDMN O=C(NC[C@H]1CCCC[C@@H]1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000077162063 406978655 /nfs/dbraw/zinc/97/86/55/406978655.db2.gz VDFVJXMPZKWRQB-RNCFNFMXSA-N 0 1 318.333 1.752 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2nccs2)c1[N+](=O)[O-] ZINC000074545777 406915528 /nfs/dbraw/zinc/91/55/28/406915528.db2.gz WGCUPMONQMWRDN-UHFFFAOYSA-N 0 1 309.351 1.999 20 5 DDBDMN Cc1ncsc1CN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075719587 406940704 /nfs/dbraw/zinc/94/07/04/406940704.db2.gz HOIOYHJYNOWGGM-NSHDSACASA-N 0 1 311.367 1.049 20 5 DDBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086468895 407113155 /nfs/dbraw/zinc/11/31/55/407113155.db2.gz YKOOAPQPAYAPLN-UWVGGRQHSA-N 0 1 313.379 1.274 20 5 DDBDMN CC(C)NC(=O)CN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055899608 407208131 /nfs/dbraw/zinc/20/81/31/407208131.db2.gz VCOQKVZTZVQKEN-UHFFFAOYSA-N 0 1 309.366 1.820 20 5 DDBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[NH+]1CCC(C)CC1 ZINC000127662174 407450497 /nfs/dbraw/zinc/45/04/97/407450497.db2.gz IXQWGDPWSYCLJU-NSHDSACASA-N 0 1 322.365 1.546 20 5 DDBDMN CC[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267066806 407734787 /nfs/dbraw/zinc/73/47/87/407734787.db2.gz UUKYQARTQPIDBJ-CQSZACIVSA-N 0 1 311.357 1.622 20 5 DDBDMN Cn1cccc1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179222553 407757813 /nfs/dbraw/zinc/75/78/13/407757813.db2.gz PFXFMMLYMMWZSJ-HNNXBMFYSA-N 0 1 316.361 1.932 20 5 DDBDMN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])NCCc1nc[nH]n1 ZINC000132098029 407768421 /nfs/dbraw/zinc/76/84/21/407768421.db2.gz HMNNNUXMGDMBTJ-DUXPYHPUSA-N 0 1 305.269 1.224 20 5 DDBDMN CCC([NH3+])(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000236853173 407779261 /nfs/dbraw/zinc/77/92/61/407779261.db2.gz PEIBGGOTYIDHLA-UHFFFAOYSA-N 0 1 307.397 1.452 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(=O)[O-] ZINC000262648219 407888913 /nfs/dbraw/zinc/88/89/13/407888913.db2.gz KPEKZYQAWMMAMI-UHFFFAOYSA-N 0 1 309.322 1.638 20 5 DDBDMN CCOC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000180934661 407932433 /nfs/dbraw/zinc/93/24/33/407932433.db2.gz VBHYJXVQCVDCAE-UHFFFAOYSA-N 0 1 318.289 1.676 20 5 DDBDMN CCOC(=O)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000180926059 407933312 /nfs/dbraw/zinc/93/33/12/407933312.db2.gz WAWZOCQEFNKYIP-UHFFFAOYSA-N 0 1 318.289 1.676 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(N)=O)C1 ZINC000175068283 408043489 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O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000362010434 307012377 /nfs/dbraw/zinc/01/23/77/307012377.db2.gz NNUHDBFZZGZSPP-ZFWZSOMGSA-N 0 1 312.272 1.264 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000364800326 307051498 /nfs/dbraw/zinc/05/14/98/307051498.db2.gz PBUVYVDDPBLHLF-CYBMUJFWSA-N 0 1 313.321 1.289 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000373300352 307183835 /nfs/dbraw/zinc/18/38/35/307183835.db2.gz CIUIVEQRVAVFLQ-MNOVXSKESA-N 0 1 317.305 1.141 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCO[C@@H](C2CC2)C1 ZINC000375346240 307223455 /nfs/dbraw/zinc/22/34/55/307223455.db2.gz ZFLJESGKORFMJV-CYBMUJFWSA-N 0 1 316.317 1.722 20 5 DDBDMN NC(=O)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377553376 307272750 /nfs/dbraw/zinc/27/27/50/307272750.db2.gz HTUALIWQXOAZLE-VIFPVBQESA-N 0 1 304.306 1.433 20 5 DDBDMN CNC(=O)[C@]1(C)CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000435988371 307304911 /nfs/dbraw/zinc/30/49/11/307304911.db2.gz WKCNSOSXZCVCJQ-CQSZACIVSA-N 0 1 323.353 1.040 20 5 DDBDMN O=C(C[C@@H]1COCCN1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571883848 308205679 /nfs/dbraw/zinc/20/56/79/308205679.db2.gz GTFQQVNLGAMGQB-CYBMUJFWSA-N 0 1 319.361 1.464 20 5 DDBDMN O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000576353955 308309111 /nfs/dbraw/zinc/30/91/11/308309111.db2.gz LIYKQYUYWWHCER-AWEZNQCLSA-N 0 1 305.334 1.543 20 5 DDBDMN C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1CC(C)C1 ZINC000578347689 308455838 /nfs/dbraw/zinc/45/58/38/308455838.db2.gz JBKIKCWJGCXYIG-LBPRGKRZSA-N 0 1 306.366 1.463 20 5 DDBDMN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000370902038 483926988 /nfs/dbraw/zinc/92/69/88/483926988.db2.gz DZJCOSGDLFTISZ-SNVBAGLBSA-N 0 1 316.317 1.370 20 5 DDBDMN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000488727962 484215663 /nfs/dbraw/zinc/21/56/63/484215663.db2.gz WZZVIZLGSRHLMJ-DGCLKSJQSA-N 0 1 319.361 1.187 20 5 DDBDMN Cc1nc(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000157945389 526779601 /nfs/dbraw/zinc/77/96/01/526779601.db2.gz NXLMQQJWNGHJPY-UHFFFAOYSA-N 0 1 306.326 1.362 20 5 DDBDMN CCOC(=O)[C@@H]1NCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000423069880 527912178 /nfs/dbraw/zinc/91/21/78/527912178.db2.gz FHFMFSZZQAGANI-TZMCWYRMSA-N 0 1 307.350 1.286 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](CO)[C@@H]2C)c1[N+](=O)[O-] ZINC000414037368 527997881 /nfs/dbraw/zinc/99/78/81/527997881.db2.gz ONMMTZUZKBEXBM-VHSXEESVSA-N 0 1 310.354 1.674 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC(CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000433833504 527998359 /nfs/dbraw/zinc/99/83/59/527998359.db2.gz YWEIQAPXPMENAD-UHFFFAOYSA-N 0 1 323.353 1.169 20 5 DDBDMN CC(C)OC[C@@H](CO)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432627653 528006689 /nfs/dbraw/zinc/00/66/89/528006689.db2.gz VASCLPHGFKDAJH-GFCCVEGCSA-N 0 1 312.322 1.158 20 5 DDBDMN Cc1c(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000820940580 598063281 /nfs/dbraw/zinc/06/32/81/598063281.db2.gz PMTSSDMWYIOAED-LLVKDONJSA-N 0 1 322.317 1.609 20 5 DDBDMN Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888177 602323989 /nfs/dbraw/zinc/32/39/89/602323989.db2.gz FTWKUCZRPXPZRK-CHWSQXEVSA-N 0 1 321.333 1.121 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)[O-] ZINC000738635913 603257402 /nfs/dbraw/zinc/25/74/02/603257402.db2.gz BWGHCPWFHWQTOE-JTQLQIEISA-N 0 1 324.337 1.511 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1CNC(=O)[O-] ZINC000825924490 603710747 /nfs/dbraw/zinc/71/07/47/603710747.db2.gz INRWNVZSFKVBHC-ZYHUDNBSSA-N 0 1 311.342 1.159 20 5 DDBDMN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCC(=O)[O-] ZINC000833620296 605254291 /nfs/dbraw/zinc/25/42/91/605254291.db2.gz GNOKWYWKWFBSDO-NSHDSACASA-N 0 1 321.333 1.216 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]21 ZINC000834180301 605327160 /nfs/dbraw/zinc/32/71/60/605327160.db2.gz KAYRAJASYUMCRC-GARJFASQSA-N 0 1 309.326 1.117 20 5 DDBDMN O=C([O-])N[C@@H]1CCC[C@H]2C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]21 ZINC000834180301 605327167 /nfs/dbraw/zinc/32/71/67/605327167.db2.gz KAYRAJASYUMCRC-GARJFASQSA-N 0 1 309.326 1.117 20 5 DDBDMN CC[N@@H+]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821266424 607160895 /nfs/dbraw/zinc/16/08/95/607160895.db2.gz CMFAQIRNQFHOPN-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN CC[N@H+]1CCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821266424 607160896 /nfs/dbraw/zinc/16/08/96/607160896.db2.gz CMFAQIRNQFHOPN-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN CC[N@@H+]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821266424 607160898 /nfs/dbraw/zinc/16/08/98/607160898.db2.gz CMFAQIRNQFHOPN-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN CC[N@H+]1CCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821266424 607160900 /nfs/dbraw/zinc/16/09/00/607160900.db2.gz CMFAQIRNQFHOPN-VIFPVBQESA-N 0 1 318.341 1.066 20 5 DDBDMN COCCCN(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066371013 696351822 /nfs/dbraw/zinc/35/18/22/696351822.db2.gz XCIXCEUPVCWWMS-UHFFFAOYSA-N 0 1 305.338 1.779 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(C/C(Cl)=C\Cl)CC1 ZINC000981137348 697015485 /nfs/dbraw/zinc/01/54/85/697015485.db2.gz QNLMYGDSXHVQLT-JKWVPGAPSA-N 0 1 322.192 1.505 20 5 DDBDMN CC(C)C(=O)N1CCC(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000988457053 698376432 /nfs/dbraw/zinc/37/64/32/698376432.db2.gz UXVQZNFPWALEEY-CHWSQXEVSA-N 0 1 311.382 1.005 20 5 DDBDMN C[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000783650036 698864691 /nfs/dbraw/zinc/86/46/91/698864691.db2.gz KLACKJSWMUXABT-QMMMGPOBSA-N 0 1 306.771 1.771 20 5 DDBDMN CC(=CC(=O)N(C)Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000752423766 700363001 /nfs/dbraw/zinc/36/30/01/700363001.db2.gz SVSSRZVZLMJOLR-YFHOEESVSA-N 0 1 301.306 1.775 20 5 DDBDMN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2[nH]ncc21 ZINC000758131770 700685295 /nfs/dbraw/zinc/68/52/95/700685295.db2.gz FZUJJAFMQQHCJY-JTQLQIEISA-N 0 1 305.294 1.178 20 5 DDBDMN COc1nc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC000770509653 701281047 /nfs/dbraw/zinc/28/10/47/701281047.db2.gz WKIGLZBZQJEZIV-UHFFFAOYSA-N 0 1 319.273 1.499 20 5 DDBDMN O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839586305 701745623 /nfs/dbraw/zinc/74/56/23/701745623.db2.gz LZDCXSFPRXKBBC-FBIMIBRVSA-N 0 1 318.251 1.520 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000839690054 701784908 /nfs/dbraw/zinc/78/49/08/701784908.db2.gz BNEXUZLYSMSHIS-RBSFLKMASA-N 0 1 304.346 1.717 20 5 DDBDMN O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839698288 701788643 /nfs/dbraw/zinc/78/86/43/701788643.db2.gz OZQQASGRNJMTKZ-GHMZBOCLSA-N 0 1 323.315 1.432 20 5 DDBDMN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839724431 701798472 /nfs/dbraw/zinc/79/84/72/701798472.db2.gz IAJAFYGKZIYBJV-BPLDGKMQSA-N 0 1 303.362 1.779 20 5 DDBDMN O=C(NCCc1ccccc1OC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839731762 701800808 /nfs/dbraw/zinc/80/08/08/701800808.db2.gz AHVRNIQCJWMNRU-NXEZZACHSA-N 0 1 300.261 1.612 20 5 DDBDMN O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839743220 701806437 /nfs/dbraw/zinc/80/64/37/701806437.db2.gz OIZWPYOJENDNNP-BHPKHCPMSA-N 0 1 308.309 1.073 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000840410214 702101096 /nfs/dbraw/zinc/10/10/96/702101096.db2.gz WXCHWSDUIVNDEB-KFWWJZLASA-N 0 1 304.346 1.451 20 5 DDBDMN COC(=O)c1cc(F)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1F ZINC000840442330 702109839 /nfs/dbraw/zinc/10/98/39/702109839.db2.gz WTVLOYMSGRUIJA-HZGVNTEJSA-N 0 1 300.217 1.355 20 5 DDBDMN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671902 702194813 /nfs/dbraw/zinc/19/48/13/702194813.db2.gz FBKCXXOIXAKPLA-HOSYDEDBSA-N 0 1 322.317 1.539 20 5 DDBDMN COC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000840671582 702195074 /nfs/dbraw/zinc/19/50/74/702195074.db2.gz XQMBHSUSCCMYLC-GMTAPVOTSA-N 0 1 313.693 1.763 20 5 DDBDMN Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672679 702196931 /nfs/dbraw/zinc/19/69/31/702196931.db2.gz KYJZPFBLEOELTH-MRVWCRGKSA-N 0 1 320.345 1.251 20 5 DDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccnn1C1CCCC1 ZINC000840672801 702197114 /nfs/dbraw/zinc/19/71/14/702197114.db2.gz QMWIRNYCNQGVJX-GHMZBOCLSA-N 0 1 322.321 1.145 20 5 DDBDMN Cc1cc(-n2ccnc2)ccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673586 702197645 /nfs/dbraw/zinc/19/76/45/702197645.db2.gz UHQGEZLZHHUVCH-ZIAGYGMSSA-N 0 1 301.302 1.889 20 5 DDBDMN O=C(OCc1noc(-c2ccccc2O)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673694 702198619 /nfs/dbraw/zinc/19/86/19/702198619.db2.gz YTYZRAGFJJAJCP-RKDXNWHRSA-N 0 1 305.246 1.151 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831175544 706650383 /nfs/dbraw/zinc/65/03/83/706650383.db2.gz LMYQXBGVAGAOLT-WCQYABFASA-N 0 1 302.277 1.330 20 5 DDBDMN CCN(CC)C(=O)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841130814 702358684 /nfs/dbraw/zinc/35/86/84/702358684.db2.gz VFDJWCGTLXWFFR-CHWSQXEVSA-N 0 1 306.318 1.739 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)OCc2nnc(C(C)(C)C)[nH]2)n1 ZINC000814464215 702526927 /nfs/dbraw/zinc/52/69/27/702526927.db2.gz FZHMHQZVGPTAHA-UHFFFAOYSA-N 0 1 308.298 1.101 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(C(=O)OCc2n[nH]c(C(C)(C)C)n2)n1 ZINC000814464215 702526932 /nfs/dbraw/zinc/52/69/32/702526932.db2.gz FZHMHQZVGPTAHA-UHFFFAOYSA-N 0 1 308.298 1.101 20 5 DDBDMN C[C@@H]([C@@H](OC(=O)CCc1nc[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC000845873859 703211403 /nfs/dbraw/zinc/21/14/03/703211403.db2.gz DZPWRQWGLAJCNS-LKFCYVNXSA-N 0 1 322.296 1.826 20 5 DDBDMN O=C([O-])C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846265334 703258020 /nfs/dbraw/zinc/25/80/20/703258020.db2.gz GBURUCFRDIHODX-JSGCOSHPSA-N 0 1 308.334 1.957 20 5 DDBDMN O=C(N[C@@H](Cc1ccccc1)c1ncco1)[C@@H]1CC1[N+](=O)[O-] ZINC000848360993 703543080 /nfs/dbraw/zinc/54/30/80/703543080.db2.gz AXZFULMYXOROMI-FRRDWIJNSA-N 0 1 301.302 1.740 20 5 DDBDMN CCc1nc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2N)n[nH]1 ZINC000849620626 703660388 /nfs/dbraw/zinc/66/03/88/703660388.db2.gz YKOBMVHNMNARBM-SSDOTTSWSA-N 0 1 305.294 1.776 20 5 DDBDMN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000819720271 704164535 /nfs/dbraw/zinc/16/45/35/704164535.db2.gz NIXRBKWWDXJUBH-QMMMGPOBSA-N 0 1 321.724 1.996 20 5 DDBDMN Cc1ccc(NCCCNC(=O)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000820188183 704238181 /nfs/dbraw/zinc/23/81/81/704238181.db2.gz GRSKNQKFZODAGT-UHFFFAOYSA-N 0 1 320.393 1.917 20 5 DDBDMN C[C@@]12COC[C@H]1CN(Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000853565543 704271963 /nfs/dbraw/zinc/27/19/63/704271963.db2.gz HBZNGGOPEKKTDR-IUODEOHRSA-N 0 1 302.334 1.870 20 5 DDBDMN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000871432435 704293266 /nfs/dbraw/zinc/29/32/66/704293266.db2.gz VHBVRIREORCAPA-BZPMIXESSA-N 0 1 312.753 1.415 20 5 DDBDMN COCc1nc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000853809123 704319515 /nfs/dbraw/zinc/31/95/15/704319515.db2.gz NZDRDYNFHDEJTP-UHFFFAOYSA-N 0 1 308.254 1.380 20 5 DDBDMN COCc1nnc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000853809123 704319516 /nfs/dbraw/zinc/31/95/16/704319516.db2.gz NZDRDYNFHDEJTP-UHFFFAOYSA-N 0 1 308.254 1.380 20 5 DDBDMN C[C@H]1CCC[C@H](C)C1NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858986688 704780732 /nfs/dbraw/zinc/78/07/32/704780732.db2.gz FEIAKFWUJCAYLW-IUCAKERBSA-N 0 1 316.383 1.431 20 5 DDBDMN CC(C)C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000859719786 704983496 /nfs/dbraw/zinc/98/34/96/704983496.db2.gz DBIGUQOJXRWNNW-GMTAPVOTSA-N 0 1 301.339 1.951 20 5 DDBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H](C)CCN3)n2)n1C ZINC000823094628 705138016 /nfs/dbraw/zinc/13/80/16/705138016.db2.gz RTGBHTQVGBPBBX-APPZFPTMSA-N 0 1 306.326 1.747 20 5 DDBDMN CC(C)N1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864802278 706268837 /nfs/dbraw/zinc/26/88/37/706268837.db2.gz GODXTFJRMPIBND-UHFFFAOYSA-N 0 1 309.341 1.829 20 5 DDBDMN NC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000880392732 706962097 /nfs/dbraw/zinc/96/20/97/706962097.db2.gz JHIGORMMVAWRII-UHFFFAOYSA-N 0 1 307.350 1.104 20 5 DDBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC2(CN(C)C2)C1 ZINC000834522079 707080571 /nfs/dbraw/zinc/08/05/71/707080571.db2.gz FEUQUUHFQCTWGD-UHFFFAOYSA-N 0 1 307.325 1.820 20 5 DDBDMN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019339 707281593 /nfs/dbraw/zinc/28/15/93/707281593.db2.gz WBXPFASTVMMYIX-ZJUUUORDSA-N 0 1 316.354 1.819 20 5 DDBDMN Cc1ccc(C[N@H+]2C[C@H]3COCC[C@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000872160395 707309777 /nfs/dbraw/zinc/30/97/77/707309777.db2.gz GKPZPVYZECNAKJ-BBRMVZONSA-N 0 1 320.345 1.826 20 5 DDBDMN O=C(NC1CC1)C1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837505534 707667371 /nfs/dbraw/zinc/66/73/71/707667371.db2.gz FWKIFJXDGGBMLD-UHFFFAOYSA-N 0 1 320.301 1.402 20 5 DDBDMN C/C=C\C[C@@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000883090109 707922706 /nfs/dbraw/zinc/92/27/06/707922706.db2.gz CGNSGSZXCHETKL-DLGQBQFBSA-N 0 1 308.334 1.783 20 5 DDBDMN Cn1cc(C[C@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)cn1 ZINC000886030126 708684996 /nfs/dbraw/zinc/68/49/96/708684996.db2.gz GWKBFGCEBCBNCQ-GFCCVEGCSA-N 0 1 301.350 1.788 20 5 DDBDMN CC(C)(CCC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)[N+](=O)[O-] ZINC000928084739 713122044 /nfs/dbraw/zinc/12/20/44/713122044.db2.gz XPRKLSFGLPZEPD-NEPJUHHUSA-N 0 1 315.439 1.518 20 5 DDBDMN CC[C@@H]1C[N@@H+](C)CCCN1c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910378179 709915482 /nfs/dbraw/zinc/91/54/82/709915482.db2.gz IYRIRNTVGOFAAL-LLVKDONJSA-N 0 1 322.365 1.917 20 5 DDBDMN CO[C@]1(C(=O)[O-])CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901540797 710069322 /nfs/dbraw/zinc/06/93/22/710069322.db2.gz DDDHCIPVQSZWQJ-CSPWOOARSA-N 0 1 306.318 1.784 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928438952 713196529 /nfs/dbraw/zinc/19/65/29/713196529.db2.gz VFZNLKJHLJPXBT-GHMZBOCLSA-N 0 1 307.350 1.816 20 5 DDBDMN COc1ccc(NS(=O)(=O)CC2(F)CC2)cc1[N+](=O)[O-] ZINC000903619426 711226684 /nfs/dbraw/zinc/22/66/84/711226684.db2.gz APGSHVZXWFHZBJ-UHFFFAOYSA-N 0 1 304.299 1.847 20 5 DDBDMN COc1c(O)ccc(CN2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000895444178 711513912 /nfs/dbraw/zinc/51/39/12/711513912.db2.gz RFGFWHZJYRQKMC-VXGBXAGGSA-N 0 1 308.334 1.777 20 5 DDBDMN COc1c(O)ccc(CN[C@H]2CO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000895633329 711565447 /nfs/dbraw/zinc/56/54/47/711565447.db2.gz BSOFHJWVBIYWJB-DGCLKSJQSA-N 0 1 308.334 1.966 20 5 DDBDMN C[C@H](NC(=O)C1CN([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000895783210 711605208 /nfs/dbraw/zinc/60/52/08/711605208.db2.gz RSRMLXHDIQLSQL-NHYWBVRUSA-N 0 1 319.361 1.493 20 5 DDBDMN COc1ccccc1NC(=O)[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000932631791 714370409 /nfs/dbraw/zinc/37/04/09/714370409.db2.gz IHOASLAQCSZGSF-LBPRGKRZSA-N 0 1 307.350 1.622 20 5 DDBDMN CN(CC[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000933502069 714604835 /nfs/dbraw/zinc/60/48/35/714604835.db2.gz KVZKKZLYTXSXAB-UHFFFAOYSA-N 0 1 317.386 1.269 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCCN2CCO[C@@H]3COCC[C@@H]32)cc1 ZINC000933968242 714711126 /nfs/dbraw/zinc/71/11/26/714711126.db2.gz JAPJXAUENBILAL-JKSUJKDBSA-N 0 1 322.361 1.853 20 5 DDBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)/C=C(/C)C2CC2)C1 ZINC000967950610 719101352 /nfs/dbraw/zinc/10/13/52/719101352.db2.gz UZDYRZMPYOHSMY-DNFKICFMSA-N 0 1 321.377 1.067 20 5 DDBDMN O=C(/C=C\c1ccc[nH]1)NCCNCc1csc([N+](=O)[O-])c1 ZINC001126239050 738744328 /nfs/dbraw/zinc/74/43/28/738744328.db2.gz SDOOIPCVUUOLQE-ARJAWSKDSA-N 0 1 320.374 1.904 20 5 DDBDMN COc1ccc(C(=O)N2CCC[C@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC001167528001 734663120 /nfs/dbraw/zinc/66/31/20/734663120.db2.gz VOIRFUBEQILGFM-JTQLQIEISA-N 0 1 317.305 1.699 20 5 DDBDMN O=C(NC1CN(Cc2ccccc2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030293743 744025487 /nfs/dbraw/zinc/02/54/87/744025487.db2.gz RETOXGOMSJVXQG-HZPDHXFCSA-N 0 1 315.373 1.530 20 5 DDBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1)c1cnn[nH]1 ZINC001110395939 744598234 /nfs/dbraw/zinc/59/82/34/744598234.db2.gz FQISEPIFEBFALA-UHFFFAOYSA-N 0 1 302.294 1.087 20 5 DDBDMN O=C(NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1)c1cnn[nH]1 ZINC001110396371 744603994 /nfs/dbraw/zinc/60/39/94/744603994.db2.gz RBHUIMZNBBVQGV-UHFFFAOYSA-N 0 1 320.284 1.227 20 5 DDBDMN CCOc1cc(CN2C[C@H](CO)[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC001198755070 747599613 /nfs/dbraw/zinc/59/96/13/747599613.db2.gz XGCAVCLQPDNHCO-UONOGXRCSA-N 0 1 324.377 1.416 20 5 DDBDMN Nc1cccc(S(=O)(=O)Nc2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001201221543 748449593 /nfs/dbraw/zinc/44/95/93/748449593.db2.gz AKXNRTQWVFXPFK-UHFFFAOYSA-N 0 1 309.303 1.683 20 5 DDBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOC[C@](O)(C(F)(F)F)C2)C1 ZINC001169014419 762178979 /nfs/dbraw/zinc/17/89/79/762178979.db2.gz ZLZOUOGVAZSCLT-MXWKQRLJSA-N 0 1 312.288 1.057 20 5 DDBDMN CC1(C)CC(CC(=O)N2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001001799991 754516414 /nfs/dbraw/zinc/51/64/14/754516414.db2.gz UHPLENSKDKMRBY-CHWSQXEVSA-N 0 1 323.393 1.053 20 5 DDBDMN CCOC(=O)C1(Nc2ccc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC001169490374 762477456 /nfs/dbraw/zinc/47/74/56/762477456.db2.gz GZYIUYQKPWBYCR-UHFFFAOYSA-N 0 1 308.338 1.429 20 5 DDBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCC2)C1 ZINC000828136913 759498126 /nfs/dbraw/zinc/49/81/26/759498126.db2.gz OBRRBVRZCBMHPJ-NSHDSACASA-N 0 1 307.325 1.963 20 5 DDBDMN CC(C)(C)CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012927 759509400 /nfs/dbraw/zinc/50/94/00/759509400.db2.gz VOBSUNVXLBCZOV-VXGBXAGGSA-N 0 1 323.393 1.149 20 5 DDBDMN Cc1cc(F)ccc1CN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042705508 764373178 /nfs/dbraw/zinc/37/31/78/764373178.db2.gz GRKLBBUUYSUIRC-HUUCEWRRSA-N 0 1 321.352 1.442 20 5 DDBDMN COc1ccc(C[C@@H](C)N2CC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])c1 ZINC001170354406 766260198 /nfs/dbraw/zinc/26/01/98/766260198.db2.gz KUXFFEQXLMAXRJ-BXUZGUMPSA-N 0 1 321.377 1.745 20 5 DDBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1nn[nH]n1 ZINC001136627461 772051483 /nfs/dbraw/zinc/05/14/83/772051483.db2.gz KBJDXFCUQLRXRH-UHFFFAOYSA-N 0 1 310.701 1.010 20 5 DDBDMN CCN(CCNC(=O)CN1CCCC1)c1ncccc1[N+](=O)[O-] ZINC001100534592 776280538 /nfs/dbraw/zinc/28/05/38/776280538.db2.gz OMFZIUFLNFZPTR-UHFFFAOYSA-N 0 1 321.381 1.028 20 5 DDBDMN O=C(Cc1cnc[nH]1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094807075 776306172 /nfs/dbraw/zinc/30/61/72/776306172.db2.gz NEJFLOIIZIOVIJ-UHFFFAOYSA-N 0 1 303.322 1.479 20 5 DDBDMN Cc1cc(NCCCNC(=O)Cc2cnc[nH]2)ncc1[N+](=O)[O-] ZINC001094808741 776308119 /nfs/dbraw/zinc/30/81/19/776308119.db2.gz QGXHSDOYNBMPHZ-UHFFFAOYSA-N 0 1 318.337 1.182 20 5 DDBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC001173224864 777059421 /nfs/dbraw/zinc/05/94/21/777059421.db2.gz HLLUUNVAUXLRFI-WMLDXEAASA-N 0 1 319.405 1.932 20 5 DDBDMN Cc1cc(C(=O)N(C)CCNc2ncc(C)cc2[N+](=O)[O-])n[nH]1 ZINC001101522771 777207192 /nfs/dbraw/zinc/20/71/92/777207192.db2.gz VLYXKIJDEXMBKD-UHFFFAOYSA-N 0 1 318.337 1.514 20 5 DDBDMN Cc1[nH]nc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC001174753678 777585373 /nfs/dbraw/zinc/58/53/73/777585373.db2.gz HXTLHEVALDQCHR-LURJTMIESA-N 0 1 324.322 1.582 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2cncn2c1 ZINC001179304647 779330426 /nfs/dbraw/zinc/33/04/26/779330426.db2.gz VATKUBSHJWVFPD-UHFFFAOYSA-N 0 1 314.305 1.776 20 5 DDBDMN Cc1[nH]nc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1C ZINC001179353393 779341960 /nfs/dbraw/zinc/34/19/60/779341960.db2.gz QPLQMPALFVGWAC-OAHLLOKOSA-N 0 1 304.350 1.932 20 5 DDBDMN NC(=O)c1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001118390058 781112476 /nfs/dbraw/zinc/11/24/76/781112476.db2.gz QTTAWVPCCKRRQU-UHFFFAOYSA-N 0 1 307.306 1.133 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2nnc[nH]2)cc1OC ZINC001327115330 861902066 /nfs/dbraw/zinc/90/20/66/861902066.db2.gz IJZVBKZTINVKID-UHFFFAOYSA-N 0 1 322.277 1.477 20 5 DDBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC001153676861 864012014 /nfs/dbraw/zinc/01/20/14/864012014.db2.gz SFCGVWCNEVQXNY-MRVPVSSYSA-N 0 1 322.300 1.431 20 5 DDBDMN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2CC[C@@H]2C1 ZINC001158433928 864652667 /nfs/dbraw/zinc/65/26/67/864652667.db2.gz PUWMYHJYRPSINR-SNVBAGLBSA-N 0 1 306.322 1.061 20 5 DDBDMN C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001334929817 867918838 /nfs/dbraw/zinc/91/88/38/867918838.db2.gz VIOFHGGQIQJODZ-VHSXEESVSA-N 0 1 306.322 1.361 20 5 DDBDMN COC[C@H]1CNCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001335369813 868254791 /nfs/dbraw/zinc/25/47/91/868254791.db2.gz YLMDTUXHNQBRQU-SMDDNHRTSA-N 0 1 322.365 1.286 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCc2nnc([C@H]3CCOC3)[nH]2)n1 ZINC001163721044 868654365 /nfs/dbraw/zinc/65/43/65/868654365.db2.gz DYSDBORKRDNONR-VIFPVBQESA-N 0 1 304.310 1.532 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c([C@H]3CCOC3)n2)n1 ZINC001163721044 868654372 /nfs/dbraw/zinc/65/43/72/868654372.db2.gz DYSDBORKRDNONR-VIFPVBQESA-N 0 1 304.310 1.532 20 5 DDBDMN O=C(N[C@H]1COc2c(F)cc(F)cc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC001336198250 868783110 /nfs/dbraw/zinc/78/31/10/868783110.db2.gz GAWIZCCMBZCEDU-MRVPVSSYSA-N 0 1 324.243 1.330 20 5 DDBDMN CN(C1CN(c2nccc(Cl)c2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165204105 869426241 /nfs/dbraw/zinc/42/62/41/869426241.db2.gz UDFUAOPTSRRWEJ-SECBINFHSA-N 0 1 312.757 1.553 20 5 DDBDMN CNc1nccc(C(=O)Nc2cccc3[nH]nnc32)c1[N+](=O)[O-] ZINC001298212477 870352798 /nfs/dbraw/zinc/35/27/98/870352798.db2.gz ZSJXPDJTNSGFID-UHFFFAOYSA-N 0 1 313.277 1.555 20 5 DDBDMN N[C@H]1CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1(F)F ZINC001166960007 870422769 /nfs/dbraw/zinc/42/27/69/870422769.db2.gz FTKRIFXLTRXIFR-NSHDSACASA-N 0 1 309.276 1.711 20 5 DDBDMN CN(Cc1nnc[nH]1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC001307103806 871394469 /nfs/dbraw/zinc/39/44/69/871394469.db2.gz HSPDCBMASQHKNZ-UHFFFAOYSA-N 0 1 314.305 1.201 20 5 DDBDMN O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc3nc[nH]c3c1)C2 ZINC001226929031 882728772 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323.368 1.765 20 5 DDBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccnc1 ZINC000610259515 360402924 /nfs/dbraw/zinc/40/29/24/360402924.db2.gz CUGPQWMDYRALTI-VIFPVBQESA-N 0 1 308.319 1.424 20 5 DDBDMN CCN(C[C@H]1CCOC1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610921014 360571581 /nfs/dbraw/zinc/57/15/81/360571581.db2.gz PUQIGQZFYGVQGS-SNVBAGLBSA-N 0 1 310.354 1.940 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619574349 364067534 /nfs/dbraw/zinc/06/75/34/364067534.db2.gz SALQHCRKJIBZMA-CHWSQXEVSA-N 0 1 323.324 1.559 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](COC)C2)c1[N+](=O)[O-] ZINC000265029611 204354579 /nfs/dbraw/zinc/35/45/79/204354579.db2.gz FZCVDGGVCMBVJT-JTQLQIEISA-N 0 1 310.354 1.769 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000351151910 284305213 /nfs/dbraw/zinc/30/52/13/284305213.db2.gz XVTPVWOTKIYVRM-ZETCQYMHSA-N 0 1 320.309 1.913 20 5 DDBDMN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C 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Cc1n[nH]c(C)c1[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000091081657 407177364 /nfs/dbraw/zinc/17/73/64/407177364.db2.gz JJCWLFCATOGALW-ZDUSSCGKSA-N 0 1 304.354 1.968 20 5 DDBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCCOC1 ZINC000103201254 407333806 /nfs/dbraw/zinc/33/38/06/407333806.db2.gz PNTWVRSOLOVXFW-SNVBAGLBSA-N 0 1 317.305 1.745 20 5 DDBDMN NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000261690859 407582048 /nfs/dbraw/zinc/58/20/48/407582048.db2.gz NJOINOHTIQVJFF-NSHDSACASA-N 0 1 307.306 1.133 20 5 DDBDMN C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000271293020 407619011 /nfs/dbraw/zinc/61/90/11/407619011.db2.gz BUDIGWKAUABOKD-JTQLQIEISA-N 0 1 309.322 1.207 20 5 DDBDMN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271328349 407637841 /nfs/dbraw/zinc/63/78/41/407637841.db2.gz LIPLYKDELIGMMA-ISVAXAHUSA-N 0 1 322.296 1.963 20 5 DDBDMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186401048 407657619 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DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272493321 407948123 /nfs/dbraw/zinc/94/81/23/407948123.db2.gz CPQSZZCAQHMBKT-IINYFYTJSA-N 0 1 305.334 1.467 20 5 DDBDMN CC(C)(C[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262763541 407918991 /nfs/dbraw/zinc/91/89/91/407918991.db2.gz SKTMPJAERBLFIC-UHFFFAOYSA-N 0 1 307.759 1.264 20 5 DDBDMN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2c1cnn2C ZINC000135560722 408032157 /nfs/dbraw/zinc/03/21/57/408032157.db2.gz WFJNOHUDNMQRMV-ZDUSSCGKSA-N 0 1 304.354 1.534 20 5 DDBDMN Cc1nc(NCCCN2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000268505467 408074281 /nfs/dbraw/zinc/07/42/81/408074281.db2.gz QYJCYZHVXLHHHI-GFCCVEGCSA-N 0 1 307.354 1.050 20 5 DDBDMN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nn[nH]n1 ZINC000136671220 408119467 /nfs/dbraw/zinc/11/94/67/408119467.db2.gz YMZMNRPIOHUHDA-VIFPVBQESA-N 0 1 320.309 1.388 20 5 DDBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000273382512 408176756 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O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2ccccc2F)c1 ZINC000592162232 355522366 /nfs/dbraw/zinc/52/23/66/355522366.db2.gz VTGLRDUATCIRGN-AWEZNQCLSA-N 0 1 308.313 1.644 20 5 DDBDMN CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828096 355704824 /nfs/dbraw/zinc/70/48/24/355704824.db2.gz BNJAXCRZURDKHR-LLVKDONJSA-N 0 1 308.338 1.252 20 5 DDBDMN CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592828096 355704828 /nfs/dbraw/zinc/70/48/28/355704828.db2.gz BNJAXCRZURDKHR-LLVKDONJSA-N 0 1 308.338 1.252 20 5 DDBDMN O=[N+]([O-])c1ccc2ccnc(N3CC(N4CC[C@@H](O)C4)C3)c2c1 ZINC000593505628 355906739 /nfs/dbraw/zinc/90/67/39/355906739.db2.gz YFJCJUFUXAJCAX-CQSZACIVSA-N 0 1 314.345 1.398 20 5 DDBDMN C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CCN1CCO ZINC000593468918 355895541 /nfs/dbraw/zinc/89/55/41/355895541.db2.gz GAEWDFKGGWTRBO-LBPRGKRZSA-N 0 1 316.361 1.646 20 5 DDBDMN C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C(=O)[O-])O1 ZINC000593756216 355988066 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/nfs/dbraw/zinc/69/79/09/408697909.db2.gz CDHJAPFWEPRQCH-CQSZACIVSA-N 0 1 319.361 1.670 20 5 DDBDMN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000165157119 408807631 /nfs/dbraw/zinc/80/76/31/408807631.db2.gz FNDACBRCNFJHLN-SWLSCSKDSA-N 0 1 321.377 1.883 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])n[nH]1 ZINC000270926593 408744869 /nfs/dbraw/zinc/74/48/69/408744869.db2.gz KUCMWOWOBHOSDH-ZCFIWIBFSA-N 0 1 307.314 1.052 20 5 DDBDMN O=C(C=Cc1cccc([N+](=O)[O-])c1)NC1(c2nnc[nH]2)CCC1 ZINC000194292823 408776150 /nfs/dbraw/zinc/77/61/50/408776150.db2.gz VVFOPTKNQWFCSH-AATRIKPKSA-N 0 1 313.317 1.922 20 5 DDBDMN Cc1cc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000285780968 408862262 /nfs/dbraw/zinc/86/22/62/408862262.db2.gz NAVAKFBQSMKVFV-CABCVRRESA-N 0 1 319.361 1.448 20 5 DDBDMN C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[S@@](=O)C1 ZINC000277724129 409000167 /nfs/dbraw/zinc/00/01/67/409000167.db2.gz XEUVFJROGDWTOA-JLTPVHFHSA-N 0 1 312.347 1.141 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000292184019 408997010 /nfs/dbraw/zinc/99/70/10/408997010.db2.gz GQYVOAFGMZQIRC-CYBMUJFWSA-N 0 1 313.333 1.479 20 5 DDBDMN CCNC(=O)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000293260327 409077481 /nfs/dbraw/zinc/07/74/81/409077481.db2.gz MPRAEEMMECDRBH-AWEZNQCLSA-N 0 1 309.366 1.854 20 5 DDBDMN CCC[C@]1(CO)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000288808733 409182051 /nfs/dbraw/zinc/18/20/51/409182051.db2.gz MHWCNUUTXCJWNH-INIZCTEOSA-N 0 1 321.377 1.678 20 5 DDBDMN O=C(NCCCCC[NH+]1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294031369 409228907 /nfs/dbraw/zinc/22/89/07/409228907.db2.gz WOWAHQMGZPESBU-UHFFFAOYSA-N 0 1 322.365 1.691 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCc2[nH]ncc21 ZINC000279539417 409235032 /nfs/dbraw/zinc/23/50/32/409235032.db2.gz VKHWFRVUHYHEHG-UHFFFAOYSA-N 0 1 322.346 1.768 20 5 DDBDMN COC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279591762 409242799 /nfs/dbraw/zinc/24/27/99/409242799.db2.gz WKRFMFMQVOOYLF-OLZOCXBDSA-N 0 1 310.306 1.224 20 5 DDBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000262656186 163861631 /nfs/dbraw/zinc/86/16/31/163861631.db2.gz MNQHXHSZUMLAND-JTQLQIEISA-N 0 1 321.333 1.718 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(C(=O)NC)C1 ZINC000280541784 409349721 /nfs/dbraw/zinc/34/97/21/409349721.db2.gz DKSFFOWVIGTSKP-MRXNPFEDSA-N 0 1 321.377 1.952 20 5 DDBDMN CCn1cnnc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331516094 409591560 /nfs/dbraw/zinc/59/15/60/409591560.db2.gz COKCQNQPVYIVGN-NEPJUHHUSA-N 0 1 319.369 1.676 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331536073 409609834 /nfs/dbraw/zinc/60/98/34/409609834.db2.gz PWWSKSKGHUIPHR-SNVBAGLBSA-N 0 1 305.334 1.570 20 5 DDBDMN C[C@H]1[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1C ZINC000356835254 409647722 /nfs/dbraw/zinc/64/77/22/409647722.db2.gz BLKAMKFRESEIQY-RYUDHWBXSA-N 0 1 307.350 1.525 20 5 DDBDMN CCOc1cc(C(=O)NCc2nnc[nH]2)c([N+](=O)[O-])cc1OC ZINC000354181913 409728601 /nfs/dbraw/zinc/72/86/01/409728601.db2.gz VCXYHIKLWUZTFJ-UHFFFAOYSA-N 0 1 321.293 1.050 20 5 DDBDMN C[C@@H]1CCS(=O)(=O)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339126311 410062433 /nfs/dbraw/zinc/06/24/33/410062433.db2.gz HKHWBGGOEULYAI-SNVBAGLBSA-N 0 1 314.363 1.309 20 5 DDBDMN C[C@H](COc1cccc(F)c1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343226458 410253390 /nfs/dbraw/zinc/25/33/90/410253390.db2.gz PRFBQQMSCWDYGA-MRVPVSSYSA-N 0 1 308.269 1.654 20 5 DDBDMN CNC(=O)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355137106 410337489 /nfs/dbraw/zinc/33/74/89/410337489.db2.gz QVSMIFZOLQSXPX-UHFFFAOYSA-N 0 1 321.377 1.712 20 5 DDBDMN COc1cc(CN2CCC(CNC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000351971110 410383590 /nfs/dbraw/zinc/38/35/90/410383590.db2.gz OYENJSRVIUUYDK-UHFFFAOYSA-N 0 1 321.377 1.952 20 5 DDBDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347662138 410661287 /nfs/dbraw/zinc/66/12/87/410661287.db2.gz YYTVUFAVBCOGGT-LLVKDONJSA-N 0 1 322.365 1.248 20 5 DDBDMN COC(=O)COc1ccc(CN(C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000355748223 410675450 /nfs/dbraw/zinc/67/54/50/410675450.db2.gz QMHGTNZXBQCZOO-GFCCVEGCSA-N 0 1 324.333 1.367 20 5 DDBDMN CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCN(C)CC1 ZINC000301097633 410655621 /nfs/dbraw/zinc/65/56/21/410655621.db2.gz QDRJLFLVUUDYKZ-CYBMUJFWSA-N 0 1 308.386 1.069 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](COC(F)F)C1 ZINC000353022928 410740904 /nfs/dbraw/zinc/74/09/04/410740904.db2.gz FIRGITBYLDXRNG-SNVBAGLBSA-N 0 1 317.292 1.318 20 5 DDBDMN CSc1n[nH]c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000340265282 410805936 /nfs/dbraw/zinc/80/59/36/410805936.db2.gz PFEQLQBYFWZZHR-UHFFFAOYSA-N 0 1 309.307 1.452 20 5 DDBDMN COC(=O)[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H]1C ZINC000347836797 410748879 /nfs/dbraw/zinc/74/88/79/410748879.db2.gz ZVFNCNQBTDSZJH-DTWKUNHWSA-N 0 1 324.337 1.465 20 5 DDBDMN Cc1c(CC(=O)N2CCN(C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000330628561 410837986 /nfs/dbraw/zinc/83/79/86/410837986.db2.gz LSAIBLVRRMKWLC-CHWSQXEVSA-N 0 1 305.378 1.997 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000337546920 410857636 /nfs/dbraw/zinc/85/76/36/410857636.db2.gz OZGSAWFUJHFRLC-UHFFFAOYSA-N 0 1 318.337 1.538 20 5 DDBDMN C[C@@H]1CN(C)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000330676361 410868688 /nfs/dbraw/zinc/86/86/88/410868688.db2.gz UHCPHSOIBNHLIM-LLVKDONJSA-N 0 1 317.349 1.781 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)c1nnc[nH]1 ZINC000128933301 196005389 /nfs/dbraw/zinc/00/53/89/196005389.db2.gz LDAWCQXAOIVDKU-MRVPVSSYSA-N 0 1 311.323 1.061 20 5 DDBDMN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000131595289 196182450 /nfs/dbraw/zinc/18/24/50/196182450.db2.gz OHKFHIRPZZXHBC-QJPTWQEYSA-N 0 1 319.365 1.264 20 5 DDBDMN C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000366856859 418527565 /nfs/dbraw/zinc/52/75/65/418527565.db2.gz ZUHQTUBJMFYNLW-JLLWLGSASA-N 0 1 316.317 1.449 20 5 DDBDMN COCC(COC)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000388424306 418746087 /nfs/dbraw/zinc/74/60/87/418746087.db2.gz JLKRVIAYIPIFFT-UHFFFAOYSA-N 0 1 305.334 1.947 20 5 DDBDMN O=[N+]([O-])c1ccc(NCc2nnc[nH]2)nc1-c1ccc(F)cc1 ZINC000362348734 418753298 /nfs/dbraw/zinc/75/32/98/418753298.db2.gz MOMYPBAIWVNJSO-UHFFFAOYSA-N 0 1 314.280 2.526 20 5 DDBDMN O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371602166 418803751 /nfs/dbraw/zinc/80/37/51/418803751.db2.gz OOFDBGWBQQYXJR-QWRGUYRKSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000372783875 418901659 /nfs/dbraw/zinc/90/16/59/418901659.db2.gz KMJAJUDWAWNRGL-NDMJEZRESA-N 0 1 301.306 1.110 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@](O)(C2CC2)C1 ZINC000365839914 418915134 /nfs/dbraw/zinc/91/51/34/418915134.db2.gz UBWWCQCCKPVOTO-ZBEGNZNMSA-N 0 1 319.361 1.769 20 5 DDBDMN COc1cc(CC2CN(C(=O)[C@H]3CC3[N+](=O)[O-])C2)cc(OC)c1 ZINC000365912705 418921779 /nfs/dbraw/zinc/92/17/79/418921779.db2.gz SCMXPQIRXXRLGB-LSDHHAIUSA-N 0 1 320.345 1.370 20 5 DDBDMN COc1c(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cccc1[N+](=O)[O-] ZINC000425060850 228357409 /nfs/dbraw/zinc/35/74/09/228357409.db2.gz QNXFRNMKUXKVHJ-SECBINFHSA-N 0 1 317.305 1.351 20 5 DDBDMN CC[N@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000411724179 419391422 /nfs/dbraw/zinc/39/14/22/419391422.db2.gz YMFTWGOZDKSRLO-ZDUSSCGKSA-N 0 1 320.393 1.949 20 5 DDBDMN C[C@H]1C[C@H](CO)CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420936983 419371576 /nfs/dbraw/zinc/37/15/76/419371576.db2.gz JFWLARRQKOJEGQ-STQMWFEESA-N 0 1 321.377 1.508 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@]23CCOC3)c1 ZINC000421041763 419466231 /nfs/dbraw/zinc/46/62/31/419466231.db2.gz YPJDGCDNRPXWOY-ZFWWWQNUSA-N 0 1 308.334 1.199 20 5 DDBDMN CN(C)C(=O)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411940632 419510035 /nfs/dbraw/zinc/51/00/35/419510035.db2.gz KNPVQLVNMGVLMH-JTQLQIEISA-N 0 1 318.333 1.646 20 5 DDBDMN O=C(NCCCOC[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428014652 419788779 /nfs/dbraw/zinc/78/87/79/419788779.db2.gz AQFDLNGMQPRNHY-NSHDSACASA-N 0 1 324.333 1.473 20 5 DDBDMN CO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C12CCC2 ZINC000456605949 420512067 /nfs/dbraw/zinc/51/20/67/420512067.db2.gz CQGBIHRLFXMVFN-UWVGGRQHSA-N 0 1 308.338 1.656 20 5 DDBDMN CCOc1cc(N2CCN(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450958719 420571051 /nfs/dbraw/zinc/57/10/51/420571051.db2.gz WPLQARPVOZHQEF-LBPRGKRZSA-N 0 1 309.366 1.496 20 5 DDBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000448601787 420870828 /nfs/dbraw/zinc/87/08/28/420870828.db2.gz XHXSCVSZWAJIQS-UHFFFAOYSA-N 0 1 319.361 1.770 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H]2C[C@H]1CS2 ZINC000459792257 420874660 /nfs/dbraw/zinc/87/46/60/420874660.db2.gz JKYOLDJJCJKUGA-SRVKXCTJSA-N 0 1 310.375 1.524 20 5 DDBDMN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000488799333 421118351 /nfs/dbraw/zinc/11/83/51/421118351.db2.gz KJQKZVIWGSCKEF-WCQYABFASA-N 0 1 319.361 1.187 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000456353020 421148153 /nfs/dbraw/zinc/14/81/53/421148153.db2.gz NVXFOGHGEVNDLU-ZDUSSCGKSA-N 0 1 321.377 1.916 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCOCC1 ZINC000533447240 421674398 /nfs/dbraw/zinc/67/43/98/421674398.db2.gz RIWOFRFUFNZZTP-UHFFFAOYSA-N 0 1 323.349 1.653 20 5 DDBDMN CC(C)Oc1nc(NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000574531549 422127472 /nfs/dbraw/zinc/12/74/72/422127472.db2.gz REUHMSLUCNWQLO-UHFFFAOYSA-N 0 1 318.337 2.385 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](O)CN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592201835 422330225 /nfs/dbraw/zinc/33/02/25/422330225.db2.gz WDTKQPMHNPKIDS-UTUOFQBUSA-N 0 1 308.334 1.512 20 5 DDBDMN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2nc(C3CC3)cs2)c1 ZINC000577722764 422415267 /nfs/dbraw/zinc/41/52/67/422415267.db2.gz YEEIXMXIRAPFGW-LLVKDONJSA-N 0 1 323.378 1.276 20 5 DDBDMN COC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000342319104 271374053 /nfs/dbraw/zinc/37/40/53/271374053.db2.gz BMDLJDCCWRPLTN-CYBMUJFWSA-N 0 1 308.313 1.908 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@H](COC(F)F)C2)c1[N+](=O)[O-] ZINC000343021188 271618138 /nfs/dbraw/zinc/61/81/38/271618138.db2.gz KVYOUSSZGYUYNN-ZETCQYMHSA-N 0 1 304.253 1.328 20 5 DDBDMN CCN1C[C@H](C)N(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344410943 272018299 /nfs/dbraw/zinc/01/82/99/272018299.db2.gz CDBBRCINZCOVMW-STQMWFEESA-N 0 1 321.377 1.915 20 5 DDBDMN CC[C@H](C[C@@H](C)CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000345073334 272168240 /nfs/dbraw/zinc/16/82/40/272168240.db2.gz XDROSQUNUZMUJX-NXEZZACHSA-N 0 1 320.349 1.998 20 5 DDBDMN CNc1nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1[N+](=O)[O-] ZINC000455990770 277304367 /nfs/dbraw/zinc/30/43/67/277304367.db2.gz ICKNIIDGOSVUGJ-QMMMGPOBSA-N 0 1 316.321 1.042 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](O)C23CCCC3)c1[N+](=O)[O-] ZINC000294098755 278000768 /nfs/dbraw/zinc/00/07/68/278000768.db2.gz JEGALJLAXMNRAL-SNVBAGLBSA-N 0 1 322.365 1.961 20 5 DDBDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286642645 278239830 /nfs/dbraw/zinc/23/98/30/278239830.db2.gz JCSGPAPEXFFANN-QMMMGPOBSA-N 0 1 321.786 1.477 20 5 DDBDMN Cc1cc(N2CC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272893470 280572408 /nfs/dbraw/zinc/57/24/08/280572408.db2.gz YDMBTVZYGUESJK-JTQLQIEISA-N 0 1 300.318 1.763 20 5 DDBDMN C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000272585954 290156723 /nfs/dbraw/zinc/15/67/23/290156723.db2.gz HHLFLHAIGOMJFZ-MFKMUULPSA-N 0 1 305.334 1.467 20 5 DDBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+](C2CC2)C1 ZINC000295248809 300194863 /nfs/dbraw/zinc/19/48/63/300194863.db2.gz DTYUHPXYGXDLBK-LLVKDONJSA-N 0 1 319.361 1.857 20 5 DDBDMN C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153907263 300217071 /nfs/dbraw/zinc/21/70/71/300217071.db2.gz DHIYFRYRWXJRJG-JQWIXIFHSA-N 0 1 307.350 1.713 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](CC(N)=O)C1 ZINC000368579778 301056460 /nfs/dbraw/zinc/05/64/60/301056460.db2.gz UIIKPGDLXUFWMH-GHMZBOCLSA-N 0 1 320.349 1.119 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000370170483 301288663 /nfs/dbraw/zinc/28/86/63/301288663.db2.gz CIZGZWOSZSZJMU-JQWIXIFHSA-N 0 1 305.334 1.467 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC000370170482 301288687 /nfs/dbraw/zinc/28/86/87/301288687.db2.gz CIZGZWOSZSZJMU-CMPLNLGQSA-N 0 1 305.334 1.467 20 5 DDBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000370362415 301324137 /nfs/dbraw/zinc/32/41/37/301324137.db2.gz WMBHYEXAMPYPQB-VXGBXAGGSA-N 0 1 315.333 1.284 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H](O)C[C@H]3CO)o2)c1 ZINC000370385924 301328058 /nfs/dbraw/zinc/32/80/58/301328058.db2.gz HLDKAWJFYPQMRQ-UONOGXRCSA-N 0 1 318.329 1.782 20 5 DDBDMN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356342977 306848461 /nfs/dbraw/zinc/84/84/61/306848461.db2.gz PSGZLUFVPSPYHZ-DTWKUNHWSA-N 0 1 307.306 1.026 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(C2CC2)CC1 ZINC000531856475 303261492 /nfs/dbraw/zinc/26/14/92/303261492.db2.gz KIVPZLPIEVKZJA-UHFFFAOYSA-N 0 1 300.311 1.955 20 5 DDBDMN COc1ccc(CC(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000536608800 303365797 /nfs/dbraw/zinc/36/57/97/303365797.db2.gz RRAFJVGRAVLPBN-NWDGAFQWSA-N 0 1 321.377 1.697 20 5 DDBDMN C[C@H]1CCOCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000367661465 307101095 /nfs/dbraw/zinc/10/10/95/307101095.db2.gz RHJFVMZDTWONKM-VIFPVBQESA-N 0 1 304.306 1.722 20 5 DDBDMN COc1ccccc1O[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000376483585 307245704 /nfs/dbraw/zinc/24/57/04/307245704.db2.gz FMXNHASNXLSOCK-AGIUHOORSA-N 0 1 320.345 1.730 20 5 DDBDMN CC[N@@H+](C)C[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000574279825 308266545 /nfs/dbraw/zinc/26/65/45/308266545.db2.gz AOZJHXPFDXPSRL-SNVBAGLBSA-N 0 1 308.338 1.466 20 5 DDBDMN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(F)F ZINC000451073276 533967559 /nfs/dbraw/zinc/96/75/59/533967559.db2.gz QRLLRLKTMOHJGP-YFKPBYRVSA-N 0 1 300.308 1.978 20 5 DDBDMN Cc1nc([C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)n[nH]1 ZINC000413557027 534581166 /nfs/dbraw/zinc/58/11/66/534581166.db2.gz UABGJVZLJMGLAT-MRVPVSSYSA-N 0 1 319.350 1.724 20 5 DDBDMN Cc1nnc([C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)[nH]1 ZINC000413557027 534581173 /nfs/dbraw/zinc/58/11/73/534581173.db2.gz UABGJVZLJMGLAT-MRVPVSSYSA-N 0 1 319.350 1.724 20 5 DDBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425068737 534704755 /nfs/dbraw/zinc/70/47/55/534704755.db2.gz UJTOGNPBOPMCAH-NSHDSACASA-N 0 1 301.306 1.272 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CCCO)c1[N+](=O)[O-] ZINC000332662351 527998159 /nfs/dbraw/zinc/99/81/59/527998159.db2.gz GFLQROMVNPJCMJ-SNVBAGLBSA-N 0 1 310.354 1.818 20 5 DDBDMN CCOc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302456818 528310628 /nfs/dbraw/zinc/31/06/28/528310628.db2.gz QPDDJNDBRQPHQA-OLZOCXBDSA-N 0 1 323.393 1.885 20 5 DDBDMN CC[C@H]1CN(CC)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451735509 529289811 /nfs/dbraw/zinc/28/98/11/529289811.db2.gz YHRAJKWSHVWHMP-ZDUSSCGKSA-N 0 1 320.393 1.949 20 5 DDBDMN O=C([O-])C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000821516663 597369680 /nfs/dbraw/zinc/36/96/80/597369680.db2.gz UIRIDUYCYNZVGY-FZMZJTMJSA-N 0 1 308.334 1.815 20 5 DDBDMN CC(=O)NCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000819780560 597705708 /nfs/dbraw/zinc/70/57/08/597705708.db2.gz JYVGPCRUUMCDBS-LLVKDONJSA-N 0 1 323.349 1.314 20 5 DDBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000819895310 598131255 /nfs/dbraw/zinc/13/12/55/598131255.db2.gz FSJZAGZXHBEDBM-JTQLQIEISA-N 0 1 318.333 1.900 20 5 DDBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736573433 600368234 /nfs/dbraw/zinc/36/82/34/600368234.db2.gz VJGZGUJYVZOMAR-VHSXEESVSA-N 0 1 309.322 1.574 20 5 DDBDMN Cc1c(NC(=O)CC[N@H+](C)C[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738299654 600369190 /nfs/dbraw/zinc/36/91/90/600369190.db2.gz NXTPYCKRCJSAEE-SNVBAGLBSA-N 0 1 323.349 1.884 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000739583892 600846331 /nfs/dbraw/zinc/84/63/31/600846331.db2.gz ZQRVSCMEQNBVRT-JTQLQIEISA-N 0 1 322.317 1.758 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000736809396 601095345 /nfs/dbraw/zinc/09/53/45/601095345.db2.gz FVWVFTSIDQWHLS-SECBINFHSA-N 0 1 307.306 1.069 20 5 DDBDMN C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736809396 601095348 /nfs/dbraw/zinc/09/53/48/601095348.db2.gz FVWVFTSIDQWHLS-SECBINFHSA-N 0 1 307.306 1.069 20 5 DDBDMN C/C(=C\C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)[O-] ZINC000825747351 601156660 /nfs/dbraw/zinc/15/66/60/601156660.db2.gz UADXOLVSVPHWOX-NYYWCZLTSA-N 0 1 306.322 1.143 20 5 DDBDMN C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000828473481 601817803 /nfs/dbraw/zinc/81/78/03/601817803.db2.gz WTFCLYSUCPXFAA-CABZTGNLSA-N 0 1 304.306 1.555 20 5 DDBDMN CN(C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739663179 602543690 /nfs/dbraw/zinc/54/36/90/602543690.db2.gz BPBCSFKDUADXBD-GFCCVEGCSA-N 0 1 323.349 1.905 20 5 DDBDMN CC[NH+](CC)[C@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821182737 606698240 /nfs/dbraw/zinc/69/82/40/606698240.db2.gz YIVDQPWEVRIJMM-SECBINFHSA-N 0 1 320.357 1.312 20 5 DDBDMN CC[NH+](CC)[C@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821182737 606698241 /nfs/dbraw/zinc/69/82/41/606698241.db2.gz YIVDQPWEVRIJMM-SECBINFHSA-N 0 1 320.357 1.312 20 5 DDBDMN CC(C)C(=O)NCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776596661 698124742 /nfs/dbraw/zinc/12/47/42/698124742.db2.gz HKDQJZHPLPYYDN-AWEZNQCLSA-N 0 1 309.366 1.332 20 5 DDBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(O)(C(F)F)CC2)cc1 ZINC000778309366 698259951 /nfs/dbraw/zinc/25/99/51/698259951.db2.gz UOICSLGXMDQLCS-GFCCVEGCSA-N 0 1 316.304 1.720 20 5 DDBDMN C[C@H](O)CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000800374541 700218828 /nfs/dbraw/zinc/21/88/28/700218828.db2.gz RTVUHMXMGJIIPE-WWGRRREGSA-N 0 1 323.393 1.015 20 5 DDBDMN CCCc1n[nH]c(C(=O)NCc2cc(CC)[nH]n2)c1[N+](=O)[O-] ZINC000732835482 699572832 /nfs/dbraw/zinc/57/28/32/699572832.db2.gz KOFRZVUECDMJGZ-UHFFFAOYSA-N 0 1 306.326 1.486 20 5 DDBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000791008190 699606628 /nfs/dbraw/zinc/60/66/28/699606628.db2.gz DQGGVZXYYCGIIB-MRVPVSSYSA-N 0 1 304.310 1.473 20 5 DDBDMN Cc1nn(CN2CCC[C@H]2C[C@@H](C)O)c2ncc([N+](=O)[O-])cc12 ZINC000752803522 700388749 /nfs/dbraw/zinc/38/87/49/700388749.db2.gz JNMLIZQRTPCRKH-PWSUYJOCSA-N 0 1 319.365 1.841 20 5 DDBDMN O=C(CCC1CCCC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839507964 701720385 /nfs/dbraw/zinc/72/03/85/701720385.db2.gz MCLBUQZHEFXZLB-ZIAGYGMSSA-N 0 1 323.393 1.293 20 5 DDBDMN C[C@H]1CN(c2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000839539505 701730261 /nfs/dbraw/zinc/73/02/61/701730261.db2.gz VRPYSOAZRUPZSD-YRRQLQLVSA-N 0 1 320.349 1.299 20 5 DDBDMN C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711809 701792821 /nfs/dbraw/zinc/79/28/21/701792821.db2.gz ABJSGUYGQYKGTB-RAIGVLPGSA-N 0 1 306.318 1.290 20 5 DDBDMN C[C@H](C(=O)NOCC(C)(C)O)c1ccc([N+](=O)[O-])cc1F ZINC000839746125 701808012 /nfs/dbraw/zinc/80/80/12/701808012.db2.gz WDZOBAXDLQUZMG-QMMMGPOBSA-N 0 1 300.286 1.656 20 5 DDBDMN Cc1ccc(N2CCC[C@H](OC(=O)[C@@H]3CC3[N+](=O)[O-])C2=O)cc1 ZINC000840670618 702194062 /nfs/dbraw/zinc/19/40/62/702194062.db2.gz JXOMJGMOVJMSAZ-MCIONIFRSA-N 0 1 318.329 1.699 20 5 DDBDMN C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000842883132 702787016 /nfs/dbraw/zinc/78/70/16/702787016.db2.gz AXUVFYSDOKLPRE-NKWVEPMBSA-N 0 1 307.759 1.262 20 5 DDBDMN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC1[N+](=O)[O-] ZINC000844964855 703091329 /nfs/dbraw/zinc/09/13/29/703091329.db2.gz PCXQLBXDXVECPY-RKDXNWHRSA-N 0 1 314.244 1.332 20 5 DDBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000851707768 703834161 /nfs/dbraw/zinc/83/41/61/703834161.db2.gz KFYDLEWSUMXVIA-AAEUAGOBSA-N 0 1 312.322 1.130 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccc(F)n2)c1 ZINC000819184126 704082753 /nfs/dbraw/zinc/08/27/53/704082753.db2.gz BIEJZACJCRMDFU-ZDUSSCGKSA-N 0 1 321.308 1.658 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CNCc2cccnc2F)c1 ZINC000819276284 704099493 /nfs/dbraw/zinc/09/94/93/704099493.db2.gz HGVCBFSAQLRSCD-ZDUSSCGKSA-N 0 1 321.308 1.658 20 5 DDBDMN COc1cccnc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819356145 704112354 /nfs/dbraw/zinc/11/23/54/704112354.db2.gz ASGGSBIWORZHNO-CQSZACIVSA-N 0 1 303.318 1.822 20 5 DDBDMN COC(=O)c1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1N(C)C ZINC000870841987 704141047 /nfs/dbraw/zinc/14/10/47/704141047.db2.gz MCKPNGBHQBRMJE-ZYHUDNBSSA-N 0 1 308.290 1.110 20 5 DDBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867188240 706918779 /nfs/dbraw/zinc/91/87/79/706918779.db2.gz WEFPIJJBOZJQGQ-WDEREUQCSA-N 0 1 309.341 1.827 20 5 DDBDMN C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000874834286 705192180 /nfs/dbraw/zinc/19/21/80/705192180.db2.gz QUSLQUKNTWVUOJ-WDEREUQCSA-N 0 1 306.322 1.004 20 5 DDBDMN C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000874834286 705192183 /nfs/dbraw/zinc/19/21/83/705192183.db2.gz QUSLQUKNTWVUOJ-WDEREUQCSA-N 0 1 306.322 1.004 20 5 DDBDMN CC(C)N1CCO[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835298519 707217430 /nfs/dbraw/zinc/21/74/30/707217430.db2.gz VUKQEINRPZLLRJ-GFCCVEGCSA-N 0 1 302.371 1.474 20 5 DDBDMN CC(C)[C@H](O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918635 706240969 /nfs/dbraw/zinc/24/09/69/706240969.db2.gz UJCOGMLPIIVXPN-CQSZACIVSA-N 0 1 308.382 1.519 20 5 DDBDMN O=[N+]([O-])c1c(F)nccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000882059361 707481961 /nfs/dbraw/zinc/48/19/61/707481961.db2.gz JBJNGYMHYLVUPX-NSHDSACASA-N 0 1 310.329 1.287 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(N2CCOC2=O)CC1 ZINC000878997289 706557550 /nfs/dbraw/zinc/55/75/50/706557550.db2.gz YLCUYDFGFYGBIP-UHFFFAOYSA-N 0 1 323.353 1.016 20 5 DDBDMN O=C1CCc2cc([N+](=O)[O-])c(N3CC(N4CCCC4)C3)cc2N1 ZINC000865937234 706570026 /nfs/dbraw/zinc/57/00/26/706570026.db2.gz MSTWPYHEHONKJT-UHFFFAOYSA-N 0 1 316.361 1.764 20 5 DDBDMN Cc1nc(COC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000835223070 707198669 /nfs/dbraw/zinc/19/86/69/707198669.db2.gz KXNODIMDMQHDPB-UHFFFAOYSA-N 0 1 318.289 1.728 20 5 DDBDMN CCN1CCOC[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837614843 707696327 /nfs/dbraw/zinc/69/63/27/707696327.db2.gz ISYNROPLFUANFS-CYBMUJFWSA-N 0 1 310.306 1.064 20 5 DDBDMN NC(=O)NCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837679447 707714690 /nfs/dbraw/zinc/71/46/90/707714690.db2.gz 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DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cc(C)[nH]n1 ZINC000614936986 362086125 /nfs/dbraw/zinc/08/61/25/362086125.db2.gz ABNLAYWSMOTZKF-UHFFFAOYSA-N 0 1 305.294 1.957 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(C2CC2)CC1 ZINC000181593951 199323767 /nfs/dbraw/zinc/32/37/67/199323767.db2.gz KFPTZLYKXZNTDX-CQSZACIVSA-N 0 1 321.377 1.115 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOC[C@H]1CC(F)F ZINC000286652641 219105101 /nfs/dbraw/zinc/10/51/01/219105101.db2.gz GNKJTUGUZDOFSV-SNVBAGLBSA-N 0 1 316.260 1.797 20 5 DDBDMN C[N@@H+](CCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000457172253 529883691 /nfs/dbraw/zinc/88/36/91/529883691.db2.gz UFGVMLRVPARSCZ-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN CNC(=O)c1ccc(NCc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000295005448 529942885 /nfs/dbraw/zinc/94/28/85/529942885.db2.gz RYLCONBFEVIDSW-UHFFFAOYSA-N 0 1 316.321 1.562 20 5 DDBDMN C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000458215462 530054740 /nfs/dbraw/zinc/05/47/40/530054740.db2.gz NHABCSBYMVMHQP-NSHDSACASA-N 0 1 307.350 1.762 20 5 DDBDMN CCNC(=O)NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181830088 199358351 /nfs/dbraw/zinc/35/83/51/199358351.db2.gz HIDWHYGGLLADSB-SNVBAGLBSA-N 0 1 308.338 1.400 20 5 DDBDMN COC(=O)[C@]1(C)CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269578345 186390355 /nfs/dbraw/zinc/39/03/55/186390355.db2.gz JWKASGQJWXEGPT-CQSZACIVSA-N 0 1 324.337 1.467 20 5 DDBDMN CCOc1cc(CNC(C)(C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000617212581 362996588 /nfs/dbraw/zinc/99/65/88/362996588.db2.gz SDHYNTBRASRRKR-UHFFFAOYSA-N 0 1 309.366 1.950 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)Cc2cnccn2)c1[N+](=O)[O-] ZINC000172234408 198062028 /nfs/dbraw/zinc/06/20/28/198062028.db2.gz GJSUPQSRWUYBAH-UHFFFAOYSA-N 0 1 304.310 1.333 20 5 DDBDMN Cc1cc(C2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)n[nH]1 ZINC000331909419 234264374 /nfs/dbraw/zinc/26/43/74/234264374.db2.gz KARJUEKATCLCPH-UHFFFAOYSA-N 0 1 318.337 1.380 20 5 DDBDMN Cc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000344922843 282871763 /nfs/dbraw/zinc/87/17/63/282871763.db2.gz VYGGTQGRXORZDM-JTQLQIEISA-N 0 1 301.368 1.132 20 5 DDBDMN CNC(=O)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000074371649 353310484 /nfs/dbraw/zinc/31/04/84/353310484.db2.gz RBYLVMGSWHIUSK-UHFFFAOYSA-N 0 1 320.374 1.944 20 5 DDBDMN CN(C(=O)[C@H]1CC1[N+](=O)[O-])C1CCN(c2cccc(F)c2)CC1 ZINC000081344848 353665531 /nfs/dbraw/zinc/66/55/31/353665531.db2.gz WAECSQGIVXYZBE-LSDHHAIUSA-N 0 1 321.352 1.918 20 5 DDBDMN COC(=O)CCN1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000089265453 353763765 /nfs/dbraw/zinc/76/37/65/353763765.db2.gz OLUJPFRONYIQBT-NSHDSACASA-N 0 1 308.338 1.063 20 5 DDBDMN COc1cc(CN(CCO)CC2CC2)c([N+](=O)[O-])cc1OC ZINC000092506012 353859815 /nfs/dbraw/zinc/85/98/15/353859815.db2.gz ARJLHKBXBXSQEF-UHFFFAOYSA-N 0 1 310.350 1.816 20 5 DDBDMN CCOC(=O)c1c[nH]c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000591303159 355284860 /nfs/dbraw/zinc/28/48/60/355284860.db2.gz KQYGDEUSPZGFTB-UHFFFAOYSA-N 0 1 307.266 1.085 20 5 DDBDMN Cc1cc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)ncn1 ZINC000591757275 355377963 /nfs/dbraw/zinc/37/79/63/355377963.db2.gz HVPXOVSCQAKSOY-AWEZNQCLSA-N 0 1 318.333 1.223 20 5 DDBDMN CC1(CC(F)F)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592446725 355586871 /nfs/dbraw/zinc/58/68/71/355586871.db2.gz RCPWVPLRGBLODA-JTQLQIEISA-N 0 1 304.297 1.129 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)s1 ZINC000592390501 355573834 /nfs/dbraw/zinc/57/38/34/355573834.db2.gz YWIZPEYHYZOUHD-MRVPVSSYSA-N 0 1 317.392 1.077 20 5 DDBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CC2(F)F)CC1 ZINC000593073483 355787189 /nfs/dbraw/zinc/78/71/89/355787189.db2.gz UNNQIVDYKQQMHN-UHFFFAOYSA-N 0 1 313.304 1.878 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000593188847 355821072 /nfs/dbraw/zinc/82/10/72/355821072.db2.gz RPHPUJJZCQSUDQ-GMTAPVOTSA-N 0 1 309.370 1.039 20 5 DDBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1n[nH]c(C2CC2)n1 ZINC000593733192 355979934 /nfs/dbraw/zinc/97/99/34/355979934.db2.gz ZRJNTXXEIANMCA-UHFFFAOYSA-N 0 1 319.296 1.588 20 5 DDBDMN O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc([N+](=O)[O-])o1 ZINC000594384164 356192281 /nfs/dbraw/zinc/19/22/81/356192281.db2.gz AVERIZIPBAZVAK-ZETCQYMHSA-N 0 1 307.266 1.087 20 5 DDBDMN O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000594385728 356192297 /nfs/dbraw/zinc/19/22/97/356192297.db2.gz NHVGACKMLVTMKO-LLVKDONJSA-N 0 1 317.305 1.494 20 5 DDBDMN CO[C@@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1(C)C ZINC000594763461 356310374 /nfs/dbraw/zinc/31/03/74/356310374.db2.gz RSNJIOSPOHMPIG-NXEZZACHSA-N 0 1 315.351 1.082 20 5 DDBDMN CC(C)OC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595250365 356418093 /nfs/dbraw/zinc/41/80/93/356418093.db2.gz QGFOWSDWZMTLNA-HNNXBMFYSA-N 0 1 323.393 1.786 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN(CCOCCO)C1CCC1 ZINC000595602938 356571810 /nfs/dbraw/zinc/57/18/10/356571810.db2.gz ZCLGRHUQHJNKLY-UHFFFAOYSA-N 0 1 324.377 1.967 20 5 DDBDMN CC(C)(N)c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)on1 ZINC000595923478 356706142 /nfs/dbraw/zinc/70/61/42/356706142.db2.gz WWOOBULICQNHEU-UHFFFAOYSA-N 0 1 316.317 1.980 20 5 DDBDMN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C)C1O ZINC000597204351 357092095 /nfs/dbraw/zinc/09/20/95/357092095.db2.gz HSODFMUHMOCLAA-GHMZBOCLSA-N 0 1 322.361 1.815 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC[C@H]1CC1(F)F ZINC000598625939 357659722 /nfs/dbraw/zinc/65/97/22/357659722.db2.gz UUMUIDLOSWGNOQ-ZETCQYMHSA-N 0 1 307.278 1.313 20 5 DDBDMN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598773208 357723936 /nfs/dbraw/zinc/72/39/36/357723936.db2.gz MBYLAPWOVJJFEG-NSHDSACASA-N 0 1 322.365 1.546 20 5 DDBDMN CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000599106039 357817500 /nfs/dbraw/zinc/81/75/00/357817500.db2.gz UCQSFVDXORLFPM-VIFPVBQESA-N 0 1 319.408 1.275 20 5 DDBDMN CCC1(N2CCOCC2)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000599187925 357844476 /nfs/dbraw/zinc/84/44/76/357844476.db2.gz RZOVPVIRFYRRPO-UHFFFAOYSA-N 0 1 321.381 1.466 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC3CCC2CC3)n1 ZINC000599262196 357866309 /nfs/dbraw/zinc/86/63/09/357866309.db2.gz GDBZHJLMEJXNLR-RTBKNWGFSA-N 0 1 314.367 1.185 20 5 DDBDMN CCC1(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCCCC1 ZINC000599323095 357892843 /nfs/dbraw/zinc/89/28/43/357892843.db2.gz ZTWYGVWBZVTHEO-UHFFFAOYSA-N 0 1 316.383 1.720 20 5 DDBDMN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1(F)F ZINC000599513105 357960907 /nfs/dbraw/zinc/96/09/07/357960907.db2.gz RAFFLGZMKUZIBH-GHMZBOCLSA-N 0 1 315.320 1.980 20 5 DDBDMN Cc1ccc(NC(=O)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599695554 358029868 /nfs/dbraw/zinc/02/98/68/358029868.db2.gz MWHITPZXABXGOX-GFCCVEGCSA-N 0 1 308.338 1.091 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000599779355 358056503 /nfs/dbraw/zinc/05/65/03/358056503.db2.gz HCSGWDYQEUDRRB-GFCCVEGCSA-N 0 1 308.338 1.091 20 5 DDBDMN O=C(NCCN1CC[C@H](O)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600809159 358320818 /nfs/dbraw/zinc/32/08/18/358320818.db2.gz TZKRPVZWSQPUDE-JTQLQIEISA-N 0 1 313.741 1.045 20 5 DDBDMN O=C([O-])[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000565601036 304079236 /nfs/dbraw/zinc/07/92/36/304079236.db2.gz SJCBKALEPUOLQL-WCQYABFASA-N 0 1 324.333 1.274 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(NC(=O)C2CC2)CC1 ZINC000602763549 359174433 /nfs/dbraw/zinc/17/44/33/359174433.db2.gz PWJJNBKMUWERAD-UHFFFAOYSA-N 0 1 321.381 1.090 20 5 DDBDMN CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000602823132 359217391 /nfs/dbraw/zinc/21/73/91/359217391.db2.gz YUGJCAGSRPPTMG-UKRRQHHQSA-N 0 1 324.381 1.370 20 5 DDBDMN CCOc1cc(CN2C[C@@H](O)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602901552 359283399 /nfs/dbraw/zinc/28/33/99/359283399.db2.gz ZZASTAKXRNCCNN-SWLSCSKDSA-N 0 1 310.350 1.311 20 5 DDBDMN Cc1cnn(CCN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000602962907 359326190 /nfs/dbraw/zinc/32/61/90/359326190.db2.gz QHVLPOUTWRGDME-HNNXBMFYSA-N 0 1 304.350 1.597 20 5 DDBDMN CNC(=O)c1ccc(NCCN2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188496033 200256443 /nfs/dbraw/zinc/25/64/43/200256443.db2.gz BWPKEHLASUVOFI-UHFFFAOYSA-N 0 1 322.365 1.089 20 5 DDBDMN CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000609135335 360263765 /nfs/dbraw/zinc/26/37/65/360263765.db2.gz FLUVBOUKVOAHJU-SNVBAGLBSA-N 0 1 308.338 1.298 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609269558 360285407 /nfs/dbraw/zinc/28/54/07/360285407.db2.gz UAONIOPJQPNDGO-LBPRGKRZSA-N 0 1 307.350 1.435 20 5 DDBDMN COCCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000609269896 360285542 /nfs/dbraw/zinc/28/55/42/360285542.db2.gz ZDPHISSCBIJCJB-CQSZACIVSA-N 0 1 321.377 1.744 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609279557 360287507 /nfs/dbraw/zinc/28/75/07/360287507.db2.gz JRIQMJQZOOLONE-ZDUSSCGKSA-N 0 1 322.365 1.827 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(C)[nH]n1 ZINC000609600863 360331657 /nfs/dbraw/zinc/33/16/57/360331657.db2.gz XLNYKBCNIBEAKM-UHFFFAOYSA-N 0 1 305.294 1.957 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000609572570 360325987 /nfs/dbraw/zinc/32/59/87/360325987.db2.gz FEGWCYYWDUTHFJ-HOTGVXAUSA-N 0 1 323.368 1.765 20 5 DDBDMN CCc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)on1 ZINC000610158569 360387069 /nfs/dbraw/zinc/38/70/69/360387069.db2.gz WHMVYZBPVRWYGM-UHFFFAOYSA-N 0 1 315.289 1.952 20 5 DDBDMN Cc1nccc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)n1 ZINC000610485029 360447508 /nfs/dbraw/zinc/44/75/08/360447508.db2.gz ZTJODGNTFQBSTG-CYBMUJFWSA-N 0 1 316.365 1.769 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(CC(N)=O)C2CCCC2)c1[N+](=O)[O-] ZINC000610919388 360571764 /nfs/dbraw/zinc/57/17/64/360571764.db2.gz GRUFAECTJHEKAR-UHFFFAOYSA-N 0 1 323.353 1.311 20 5 DDBDMN O=C(CCN1CCc2c[nH]nc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611008783 360599988 /nfs/dbraw/zinc/59/99/88/360599988.db2.gz KOYFXAVTIPDMTE-UHFFFAOYSA-N 0 1 315.333 1.705 20 5 DDBDMN CCN(CCC(=O)OC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611263732 360682981 /nfs/dbraw/zinc/68/29/81/360682981.db2.gz CZYQWDXEQVCRMX-UHFFFAOYSA-N 0 1 324.333 1.751 20 5 DDBDMN O=[N+]([O-])c1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)c2c(c1)COCO2 ZINC000612134114 360928780 /nfs/dbraw/zinc/92/87/80/360928780.db2.gz GSJRKLHXOVSRQX-LKTVYLICSA-N 0 1 320.345 1.664 20 5 DDBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248513166 202743287 /nfs/dbraw/zinc/74/32/87/202743287.db2.gz CWAHFFQYEKVUAN-UTUOFQBUSA-N 0 1 308.338 1.509 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cn[nH]c1 ZINC000275178717 212176457 /nfs/dbraw/zinc/17/64/57/212176457.db2.gz MQRWGLWMTJGQLC-JTQLQIEISA-N 0 1 303.322 1.916 20 5 DDBDMN O=c1cc2c(n[nH]1)CCN(CC=Cc1ccccc1[N+](=O)[O-])C2 ZINC000274974940 212052206 /nfs/dbraw/zinc/05/22/06/212052206.db2.gz WSHVOHGALCFBTK-HWKANZROSA-N 0 1 312.329 1.750 20 5 DDBDMN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N1CC(C)C1 ZINC000566443102 304157984 /nfs/dbraw/zinc/15/79/84/304157984.db2.gz YFOBDMJCTOAHHL-LBPRGKRZSA-N 0 1 303.362 1.820 20 5 DDBDMN CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000566458979 304160896 /nfs/dbraw/zinc/16/08/96/304160896.db2.gz ZORIYEPEGZBEBZ-UHFFFAOYSA-N 0 1 321.377 1.916 20 5 DDBDMN CCN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000288243903 220039431 /nfs/dbraw/zinc/03/94/31/220039431.db2.gz DUBJXGUIZFLICF-CYBMUJFWSA-N 0 1 321.377 1.835 20 5 DDBDMN Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000282567170 217094314 /nfs/dbraw/zinc/09/43/14/217094314.db2.gz UTMZVQGEBHQNRA-ZDUSSCGKSA-N 0 1 316.317 1.841 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N[C@H](C)CN2CCN(C)CC2)c1 ZINC000266324244 205266239 /nfs/dbraw/zinc/26/62/39/205266239.db2.gz FYQZRYZCMRWFNG-GFCCVEGCSA-N 0 1 308.382 1.651 20 5 DDBDMN O=C([O-])C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567359391 304214823 /nfs/dbraw/zinc/21/48/23/304214823.db2.gz UJNLEZPZTDFDTJ-VXGBXAGGSA-N 0 1 324.333 1.274 20 5 DDBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339118445 250301305 /nfs/dbraw/zinc/30/13/05/250301305.db2.gz LUBDVYFUSYQKKS-BHYNMZESSA-N 0 1 305.334 1.386 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273764919 211038625 /nfs/dbraw/zinc/03/86/25/211038625.db2.gz PSROXLNKMUHJPH-CQSZACIVSA-N 0 1 318.377 1.939 20 5 DDBDMN Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000048653938 183674274 /nfs/dbraw/zinc/67/42/74/183674274.db2.gz KGTNEKMQACDESU-UHFFFAOYSA-N 0 1 316.726 1.783 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000109689044 194278722 /nfs/dbraw/zinc/27/87/22/194278722.db2.gz NWEZVBYTAJIKLS-SNVBAGLBSA-N 0 1 310.354 1.769 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC3(CC2)OCCO3)c1 ZINC000062351201 184231430 /nfs/dbraw/zinc/23/14/30/184231430.db2.gz DCRVZGUGXDQJFQ-AWEZNQCLSA-N 0 1 308.334 1.467 20 5 DDBDMN C[C@@H]1CCC[C@]1(O)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000294437480 224028792 /nfs/dbraw/zinc/02/87/92/224028792.db2.gz VGPVRGICYMPCJV-PSLIRLAXSA-N 0 1 318.333 1.752 20 5 DDBDMN CC(C)C(=O)NCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271152510 208663890 /nfs/dbraw/zinc/66/38/90/208663890.db2.gz ITQUOXXUPVTEFU-CQSZACIVSA-N 0 1 309.366 1.332 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186687422 285189519 /nfs/dbraw/zinc/18/95/19/285189519.db2.gz BPXUSMKUXCGTKN-MRXNPFEDSA-N 0 1 314.345 1.923 20 5 DDBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[C@H]1O ZINC000352657976 285202532 /nfs/dbraw/zinc/20/25/32/285202532.db2.gz CPNFMVGJLPMTBJ-QWHCGFSZSA-N 0 1 318.333 1.990 20 5 DDBDMN CO[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccccc1 ZINC000295640076 533190629 /nfs/dbraw/zinc/19/06/29/533190629.db2.gz FPYRHRMSQFPMFB-NSHDSACASA-N 0 1 304.306 1.305 20 5 DDBDMN CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014252309 406875423 /nfs/dbraw/zinc/87/54/23/406875423.db2.gz IBLCFIVYTGBMAC-UHFFFAOYSA-N 0 1 313.379 1.357 20 5 DDBDMN COC[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265822722 407469189 /nfs/dbraw/zinc/46/91/89/407469189.db2.gz SFFZMFDQGPCZGC-GFCCVEGCSA-N 0 1 307.350 1.526 20 5 DDBDMN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000152043253 407549957 /nfs/dbraw/zinc/54/99/57/407549957.db2.gz MFQXOTMJDPDPMA-JTQLQIEISA-N 0 1 309.341 1.875 20 5 DDBDMN COc1cc(OCC(=O)N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000114675591 407596291 /nfs/dbraw/zinc/59/62/91/407596291.db2.gz VPQHHLKEZMZNIL-UHFFFAOYSA-N 0 1 323.349 1.146 20 5 DDBDMN Cc1ccc([C@H](C)NCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000230994433 407696570 /nfs/dbraw/zinc/69/65/70/407696570.db2.gz ODNGLOCQQYVRDD-NSHDSACASA-N 0 1 315.395 1.445 20 5 DDBDMN CN(Cc1nc(C2(N)CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000262003746 407706860 /nfs/dbraw/zinc/70/68/60/407706860.db2.gz UJFAWLSLHJWBAO-UHFFFAOYSA-N 0 1 303.322 1.952 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)s1 ZINC000237970413 407861044 /nfs/dbraw/zinc/86/10/44/407861044.db2.gz YOIRPAMQTQBQKC-SECBINFHSA-N 0 1 319.408 1.324 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262786315 407929635 /nfs/dbraw/zinc/92/96/35/407929635.db2.gz QMLARHRTXPHLEL-GHMZBOCLSA-N 0 1 313.379 1.274 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262786322 407929788 /nfs/dbraw/zinc/92/97/88/407929788.db2.gz QMLARHRTXPHLEL-WDEREUQCSA-N 0 1 313.379 1.274 20 5 DDBDMN Cc1[nH]nc(C(=O)N(C)CCOCc2ccccc2)c1[N+](=O)[O-] ZINC000268316137 407995628 /nfs/dbraw/zinc/99/56/28/407995628.db2.gz ASCKYCTYIGWEQY-UHFFFAOYSA-N 0 1 318.333 1.915 20 5 DDBDMN O=C(NCCOc1ccc(Cl)cn1)c1n[nH]cc1[N+](=O)[O-] ZINC000154856133 408096202 /nfs/dbraw/zinc/09/62/02/408096202.db2.gz VXGYJFGRHASWGQ-UHFFFAOYSA-N 0 1 311.685 1.175 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1(O)CCOCC1 ZINC000189776713 408103008 /nfs/dbraw/zinc/10/30/08/408103008.db2.gz LZXWVSHQXPBYRN-UHFFFAOYSA-N 0 1 324.377 1.967 20 5 DDBDMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151138935 408264112 /nfs/dbraw/zinc/26/41/12/408264112.db2.gz ITYAEHJSPLWQHE-NSHDSACASA-N 0 1 307.350 1.905 20 5 DDBDMN CNC(=O)[C@H](C)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000246284900 408203612 /nfs/dbraw/zinc/20/36/12/408203612.db2.gz XESUDVFLGSKCDT-GHMZBOCLSA-N 0 1 322.365 1.236 20 5 DDBDMN COC(=O)[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269311974 408266073 /nfs/dbraw/zinc/26/60/73/408266073.db2.gz AGVKBQZDAJWGFT-QMMMGPOBSA-N 0 1 310.310 1.076 20 5 DDBDMN C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000122339074 408283658 /nfs/dbraw/zinc/28/36/58/408283658.db2.gz PUNNAORFMUPTLJ-UHFFFAOYSA-N 0 1 320.349 1.134 20 5 DDBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC1CC1 ZINC000122339074 408283662 /nfs/dbraw/zinc/28/36/62/408283662.db2.gz PUNNAORFMUPTLJ-UHFFFAOYSA-N 0 1 320.349 1.134 20 5 DDBDMN CN(C)C1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000158408526 408338768 /nfs/dbraw/zinc/33/87/68/408338768.db2.gz DSZQURFGNIRSKU-UHFFFAOYSA-N 0 1 315.333 1.167 20 5 DDBDMN CCC[C@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000183364735 408389496 /nfs/dbraw/zinc/38/94/96/408389496.db2.gz SPTGASQTNPMQNK-HNNXBMFYSA-N 0 1 321.377 1.884 20 5 DDBDMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192012832 408526161 /nfs/dbraw/zinc/52/61/61/408526161.db2.gz ZHKGVQFVAIKZRR-AWEZNQCLSA-N 0 1 321.377 1.966 20 5 DDBDMN CNC(=O)[C@H](C)CN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184229433 408572942 /nfs/dbraw/zinc/57/29/42/408572942.db2.gz PLGXTWGVGPYFOX-SECBINFHSA-N 0 1 313.329 1.556 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184596841 408653291 /nfs/dbraw/zinc/65/32/91/408653291.db2.gz RAXAAZOOTMQDGO-UHFFFAOYSA-N 0 1 305.298 1.124 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184596841 408653295 /nfs/dbraw/zinc/65/32/95/408653295.db2.gz RAXAAZOOTMQDGO-UHFFFAOYSA-N 0 1 305.298 1.124 20 5 DDBDMN O=C1CCCN1[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000270872995 408720254 /nfs/dbraw/zinc/72/02/54/408720254.db2.gz JLEMJKCGSARHGN-ZDUSSCGKSA-N 0 1 319.361 1.670 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000249507528 408733638 /nfs/dbraw/zinc/73/36/38/408733638.db2.gz LKVRLXFUBPWPED-OLZOCXBDSA-N 0 1 323.393 1.490 20 5 DDBDMN CCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000270782503 408680128 /nfs/dbraw/zinc/68/01/28/408680128.db2.gz SSYYAIABKYOIPR-MRVPVSSYSA-N 0 1 319.321 1.775 20 5 DDBDMN C[N@@H+](CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000164541177 408801045 /nfs/dbraw/zinc/80/10/45/408801045.db2.gz NCYLRSTXDQFEHJ-UHFFFAOYSA-N 0 1 307.350 1.905 20 5 DDBDMN COC(=O)c1cnc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000276657719 408894583 /nfs/dbraw/zinc/89/45/83/408894583.db2.gz CKTFWFABLNOZQG-GFCCVEGCSA-N 0 1 318.333 1.227 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)c1[N+](=O)[O-] ZINC000291672895 408905478 /nfs/dbraw/zinc/90/54/78/408905478.db2.gz YQCIBQOPJDJLEG-SECBINFHSA-N 0 1 324.728 1.563 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n[nH]1 ZINC000286439791 408985153 /nfs/dbraw/zinc/98/51/53/408985153.db2.gz RHGYCSLEBISXTJ-SSDOTTSWSA-N 0 1 304.310 1.403 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)[C@@H]1CCC[C@H]1O ZINC000286447334 408986907 /nfs/dbraw/zinc/98/69/07/408986907.db2.gz JQPMKXHCGYSHGD-LERXQTSPSA-N 0 1 307.350 1.767 20 5 DDBDMN CN1CCN(C)[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287304866 409016567 /nfs/dbraw/zinc/01/65/67/409016567.db2.gz LOEOOZAHOHWQPG-SECBINFHSA-N 0 1 322.394 1.257 20 5 DDBDMN COCCO[C@@H]1C[C@@H](CO)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000278398491 409080394 /nfs/dbraw/zinc/08/03/94/409080394.db2.gz WCFCSRITTLIYLB-GDBMZVCRSA-N 0 1 324.377 1.441 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294017886 409226480 /nfs/dbraw/zinc/22/64/80/409226480.db2.gz QGVSHFHNWMBGGZ-AOOOYVTPSA-N 0 1 309.370 1.435 20 5 DDBDMN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293926784 409207927 /nfs/dbraw/zinc/20/79/27/409207927.db2.gz HNJXYKXBBJMSCP-TXEJJXNPSA-N 0 1 306.366 1.558 20 5 DDBDMN CN(C(=O)CN1CCC[C@@](C)(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280275886 409283124 /nfs/dbraw/zinc/28/31/24/409283124.db2.gz YNEVBANIAGAOLW-MRXNPFEDSA-N 0 1 321.377 1.795 20 5 DDBDMN COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284237533 409301357 /nfs/dbraw/zinc/30/13/57/409301357.db2.gz VKPXXWZDUJKDLE-CYBMUJFWSA-N 0 1 313.310 1.380 20 5 DDBDMN O=c1[n-]nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263884 409404748 /nfs/dbraw/zinc/40/47/48/409404748.db2.gz HGFPPSGRNABMTI-JTQLQIEISA-N 0 1 322.296 1.790 20 5 DDBDMN O=c1[n-]nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)o1 ZINC000295263884 409404752 /nfs/dbraw/zinc/40/47/52/409404752.db2.gz HGFPPSGRNABMTI-JTQLQIEISA-N 0 1 322.296 1.790 20 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000330575841 410792190 /nfs/dbraw/zinc/79/21/90/410792190.db2.gz GEEHLZVIRMOIPO-CHWSQXEVSA-N 0 1 320.393 1.866 20 5 DDBDMN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330597690 410810749 /nfs/dbraw/zinc/81/07/49/410810749.db2.gz SJQMLWYEKVHNTN-VXGBXAGGSA-N 0 1 307.350 1.525 20 5 DDBDMN Cn1c(SCc2nn[nH]n2)nc2cc3ccccc3cc2c1=O ZINC000353185026 410835603 /nfs/dbraw/zinc/83/56/03/410835603.db2.gz OWVVSPDAOCOUDS-UHFFFAOYSA-N 0 1 324.369 1.892 20 5 DDBDMN Cc1c(CO)cc([N+](=O)[O-])c(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000302122208 410839946 /nfs/dbraw/zinc/83/99/46/410839946.db2.gz GRHMOPHLQLJOCH-UHFFFAOYSA-N 0 1 310.310 1.054 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000330660692 410856038 /nfs/dbraw/zinc/85/60/38/410856038.db2.gz URVYOQSLBYVNRT-ZDUSSCGKSA-N 0 1 320.393 1.269 20 5 DDBDMN C[C@H](CC(C)(C)O)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000295578491 225009148 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CNC(=O)NC1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000412051468 419595529 /nfs/dbraw/zinc/59/55/29/419595529.db2.gz CFKMCEHEQOCYDZ-UHFFFAOYSA-N 0 1 308.338 1.194 20 5 DDBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1nn[nH]n1 ZINC000421790410 419729548 /nfs/dbraw/zinc/72/95/48/419729548.db2.gz XQAHJNXGGGMLPR-LLVKDONJSA-N 0 1 318.337 1.996 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)C3CC3)C2)c1[N+](=O)[O-] ZINC000422023862 419810650 /nfs/dbraw/zinc/81/06/50/419810650.db2.gz KSNZTQAMNWNZOB-UHFFFAOYSA-N 0 1 321.337 1.093 20 5 DDBDMN COCC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000432750779 229125049 /nfs/dbraw/zinc/12/50/49/229125049.db2.gz NUXZFNUPFCWSOY-GFCCVEGCSA-N 0 1 310.350 1.303 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(CNC3(CO)CCOCC3)nc2c1 ZINC000444629936 230114362 /nfs/dbraw/zinc/11/43/62/230114362.db2.gz YIJRILVCMWJZQH-UHFFFAOYSA-N 0 1 306.322 1.102 20 5 DDBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425685456 420433667 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324.333 1.131 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)S(C)(=O)=O ZINC000540141245 421760882 /nfs/dbraw/zinc/76/08/82/421760882.db2.gz GUBRMGHAGBJIOU-WDEREUQCSA-N 0 1 300.380 1.987 20 5 DDBDMN CCC[N@H+](CC(=O)[O-])C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000581017195 421883279 /nfs/dbraw/zinc/88/32/79/421883279.db2.gz NXYUVSYYMNLPQB-GFCCVEGCSA-N 0 1 312.322 1.131 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCNc1cnccn1 ZINC000595013220 422354028 /nfs/dbraw/zinc/35/40/28/422354028.db2.gz GCMUCYQTZHDONH-LLVKDONJSA-N 0 1 317.349 2.156 20 5 DDBDMN C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(=O)[O-])cc1 ZINC000578875776 422663266 /nfs/dbraw/zinc/66/32/66/422663266.db2.gz XLMGSUHQAGIRDJ-UHFFFAOYSA-N 0 1 304.306 1.622 20 5 DDBDMN C[C@@H]1CSC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000342381760 271397359 /nfs/dbraw/zinc/39/73/59/271397359.db2.gz BCCZUFZSSLBTAD-HQJQHLMTSA-N 0 1 306.347 1.952 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000344426752 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310.306 1.224 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364209511 300357129 /nfs/dbraw/zinc/35/71/29/300357129.db2.gz BRJBKHCNFVXUJK-ZDUSSCGKSA-N 0 1 321.377 1.432 20 5 DDBDMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365513288 300526356 /nfs/dbraw/zinc/52/63/56/300526356.db2.gz PAEQSLVSENGZSY-RYUDHWBXSA-N 0 1 323.397 1.731 20 5 DDBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000375991075 302020094 /nfs/dbraw/zinc/02/00/94/302020094.db2.gz FSJWJYVMAXNMOL-VXGBXAGGSA-N 0 1 315.333 1.518 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000378565347 302336331 /nfs/dbraw/zinc/33/63/31/302336331.db2.gz JJPLNQVTGJBGHX-GHMZBOCLSA-N 0 1 301.306 1.175 20 5 DDBDMN CCOC(=O)CN(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000533230057 303314008 /nfs/dbraw/zinc/31/40/08/303314008.db2.gz NORUXBZDRRDGSL-UHFFFAOYSA-N 0 1 312.326 1.467 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CCC(Nc3ccccn3)CC2)c1 ZINC000534129950 303326729 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O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCO[C@H]2C[C@H]21 ZINC000590767309 483927973 /nfs/dbraw/zinc/92/79/73/483927973.db2.gz LEJHPWTYUOUXSP-KGLIPLIRSA-N 0 1 314.301 1.598 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](c3nnc[nH]3)C2)c1[N+](=O)[O-] ZINC000425067468 527997974 /nfs/dbraw/zinc/99/79/74/527997974.db2.gz RDSUFZZWNSDHPO-QMMMGPOBSA-N 0 1 319.325 1.189 20 5 DDBDMN CC1=CCN(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330872747 528114518 /nfs/dbraw/zinc/11/45/18/528114518.db2.gz HGBLKDSAJPCYLL-UHFFFAOYSA-N 0 1 321.381 1.295 20 5 DDBDMN CCOC(=O)c1ccnc(NCc2n[nH]c(CC)n2)c1[N+](=O)[O-] ZINC000294946364 528273477 /nfs/dbraw/zinc/27/34/77/528273477.db2.gz MAVLKPCTPDQVTC-UHFFFAOYSA-N 0 1 320.309 1.459 20 5 DDBDMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000821532888 598068223 /nfs/dbraw/zinc/06/82/23/598068223.db2.gz VYMZGKASTQGOSU-SNVBAGLBSA-N 0 1 308.290 1.301 20 5 DDBDMN Cn1cc(C[N@@H+](C)CCC(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000820586361 598127404 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JQMWKMVLFVWWCQ-SNVBAGLBSA-N 0 1 319.321 1.492 20 5 DDBDMN O=C([O-])N1CC[NH+](CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000740526839 602670807 /nfs/dbraw/zinc/67/08/07/602670807.db2.gz MTUULPGGCXWVBZ-UHFFFAOYSA-N 0 1 314.367 1.754 20 5 DDBDMN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000828341882 603487009 /nfs/dbraw/zinc/48/70/09/603487009.db2.gz UZQRYNDPTMXVKK-NSHDSACASA-N 0 1 309.322 1.658 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829510604 603812395 /nfs/dbraw/zinc/81/23/95/603812395.db2.gz LREMYQDMKDMODA-GFCCVEGCSA-N 0 1 309.322 1.788 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829510604 603812398 /nfs/dbraw/zinc/81/23/98/603812398.db2.gz LREMYQDMKDMODA-GFCCVEGCSA-N 0 1 309.322 1.788 20 5 DDBDMN O=C([O-])N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000740596644 605911408 /nfs/dbraw/zinc/91/14/08/605911408.db2.gz ZJBSRPFTFGDFEI-NSHDSACASA-N 0 1 322.321 1.265 20 5 DDBDMN [NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123243335 696729908 /nfs/dbraw/zinc/72/99/08/696729908.db2.gz LWMRJRFSOBKEMZ-NXEZZACHSA-N 0 1 317.342 1.282 20 5 DDBDMN NC(=O)COc1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000744972088 699967387 /nfs/dbraw/zinc/96/73/87/699967387.db2.gz RQLYBRLWJCQLPK-UHFFFAOYSA-N 0 1 319.273 1.144 20 5 DDBDMN CCc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(C)n1 ZINC000120020007 696688723 /nfs/dbraw/zinc/68/87/23/696688723.db2.gz UTTPIHKQSZJBCK-UHFFFAOYSA-N 0 1 316.364 1.753 20 5 DDBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1 ZINC000123408120 696731545 /nfs/dbraw/zinc/73/15/45/696731545.db2.gz QJZWOQBMVWVFFF-SECBINFHSA-N 0 1 317.342 1.154 20 5 DDBDMN Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C(N)=O ZINC000773075586 697710733 /nfs/dbraw/zinc/71/07/33/697710733.db2.gz WXTVVRVPFLZJHT-UHFFFAOYSA-N 0 1 315.285 1.960 20 5 DDBDMN COc1cc(CN2CCC3(CC2)OCCO3)ccc1[N+](=O)[O-] ZINC000778938164 698383782 /nfs/dbraw/zinc/38/37/82/698383782.db2.gz CVRBDAMZECLFKB-UHFFFAOYSA-N 0 1 308.334 1.942 20 5 DDBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)NC(=O)OC(C)(C)C ZINC000750738896 700244233 /nfs/dbraw/zinc/24/42/33/700244233.db2.gz BBYHLZPLCNVTRR-QMMMGPOBSA-N 0 1 313.310 1.993 20 5 DDBDMN Cc1nn[nH]c1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000789961486 699426215 /nfs/dbraw/zinc/42/62/15/699426215.db2.gz MCPXYHSCWWMMCZ-CYBMUJFWSA-N 0 1 319.346 1.909 20 5 DDBDMN CCc1cc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000738383180 699758706 /nfs/dbraw/zinc/75/87/06/699758706.db2.gz LRPNJUCZAWYYPQ-UHFFFAOYSA-N 0 1 310.335 1.359 20 5 DDBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC000754842256 700532217 /nfs/dbraw/zinc/53/22/17/700532217.db2.gz UBPXHNLLZYOUDS-UHFFFAOYSA-N 0 1 309.257 1.354 20 5 DDBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000762016712 700876540 /nfs/dbraw/zinc/87/65/40/700876540.db2.gz XCDQTFGHXQTCQP-MRVPVSSYSA-N 0 1 320.284 1.267 20 5 DDBDMN CC1(C)COC(=O)[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000808103943 701498101 /nfs/dbraw/zinc/49/81/01/701498101.db2.gz FKPUNMINJWBFGY-LLVKDONJSA-N 0 1 318.289 1.153 20 5 DDBDMN CCOC(=O)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccccc1 ZINC000839593147 701748396 /nfs/dbraw/zinc/74/83/96/701748396.db2.gz GBHDZCYOLTVRHD-MGPQQGTHSA-N 0 1 320.345 1.190 20 5 DDBDMN CCn1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839643761 701763876 /nfs/dbraw/zinc/76/38/76/701763876.db2.gz SSAKXDTYUATIRV-GIPNMCIBSA-N 0 1 302.334 1.899 20 5 DDBDMN Cn1c(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000839678220 701779662 /nfs/dbraw/zinc/77/96/62/701779662.db2.gz YRBQAKJBESHBHM-MWLCHTKSSA-N 0 1 306.297 1.036 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000839693933 701787049 /nfs/dbraw/zinc/78/70/49/701787049.db2.gz HDPUZUNGRSZEID-ZLKJLUDKSA-N 0 1 300.318 1.715 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000839699916 701789538 /nfs/dbraw/zinc/78/95/38/701789538.db2.gz HFRBRPAGDKYHMU-BZUAXINKSA-N 0 1 318.373 1.902 20 5 DDBDMN O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839721121 701796718 /nfs/dbraw/zinc/79/67/18/701796718.db2.gz NWZMKJPRFAUDHD-CYZMBNFOSA-N 0 1 309.753 1.700 20 5 DDBDMN O=C(NCCc1cccc(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839799289 701830862 /nfs/dbraw/zinc/83/08/62/701830862.db2.gz MBHJDEUFCPGEOY-GHMZBOCLSA-N 0 1 313.151 1.773 20 5 DDBDMN O=C(Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840376135 702089199 /nfs/dbraw/zinc/08/91/99/702089199.db2.gz YXLLGVDXYSLREG-VRNWYBPDSA-N 0 1 322.264 1.918 20 5 DDBDMN C[C@@H](CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000840460835 702117954 /nfs/dbraw/zinc/11/79/54/702117954.db2.gz ZFIIBOYJPAHYSJ-DDHJSBNISA-N 0 1 306.362 1.665 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000840672154 702195652 /nfs/dbraw/zinc/19/56/52/702195652.db2.gz MFSJIUMQRFPJGC-VAOFZXAKSA-N 0 1 323.261 1.130 20 5 DDBDMN C[C@@H](NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840672305 702195670 /nfs/dbraw/zinc/19/56/70/702195670.db2.gz HRYGHFLOZSAKKA-GGZOMVNGSA-N 0 1 310.281 1.211 20 5 DDBDMN Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673154 702197923 /nfs/dbraw/zinc/19/79/23/702197923.db2.gz RSQFCNVEYGUPML-IACUBPJLSA-N 0 1 320.345 1.550 20 5 DDBDMN CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868584027 702211519 /nfs/dbraw/zinc/21/15/19/702211519.db2.gz BCDZIUNNFORHGJ-GFCCVEGCSA-N 0 1 309.341 1.829 20 5 DDBDMN CC[C@@H]1CN(C)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868584027 702211524 /nfs/dbraw/zinc/21/15/24/702211524.db2.gz BCDZIUNNFORHGJ-GFCCVEGCSA-N 0 1 309.341 1.829 20 5 DDBDMN C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1csnn1 ZINC000841564213 702499800 /nfs/dbraw/zinc/49/98/00/702499800.db2.gz FPPUKGDCSDHYRI-YFKPBYRVSA-N 0 1 320.377 1.547 20 5 DDBDMN O=C(OCCc1c[nH]nn1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842313644 702701996 /nfs/dbraw/zinc/70/19/96/702701996.db2.gz RYAAYCDEONPQMH-QWHCGFSZSA-N 0 1 302.290 1.602 20 5 DDBDMN O=C(OCCc1cnn[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842313644 702701998 /nfs/dbraw/zinc/70/19/98/702701998.db2.gz RYAAYCDEONPQMH-QWHCGFSZSA-N 0 1 302.290 1.602 20 5 DDBDMN O=[N+]([O-])c1ccc2cnn(Cc3nc([C@H]4CCCN4)no3)c2c1 ZINC000842640575 702748164 /nfs/dbraw/zinc/74/81/64/702748164.db2.gz JUXOSEKZVWJBFT-LLVKDONJSA-N 0 1 314.305 1.800 20 5 DDBDMN C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCN1 ZINC000843345298 702863317 /nfs/dbraw/zinc/86/33/17/702863317.db2.gz YFEARZKIOUTPSN-MRVPVSSYSA-N 0 1 315.732 1.750 20 5 DDBDMN C[C@H](C(=O)[O-])[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000851706310 703833576 /nfs/dbraw/zinc/83/35/76/703833576.db2.gz IOTJDCHCFWWTCN-PWSUYJOCSA-N 0 1 324.333 1.272 20 5 DDBDMN CCCCCC[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858890289 704768829 /nfs/dbraw/zinc/76/88/29/704768829.db2.gz IZOWLXAJYVXDBO-SNVBAGLBSA-N 0 1 318.399 1.966 20 5 DDBDMN O=C(NC[C@H]1COCCN1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000859686913 704973803 /nfs/dbraw/zinc/97/38/03/704973803.db2.gz XRDQLALILDFDGA-QMMMGPOBSA-N 0 1 314.729 1.358 20 5 DDBDMN Cc1ccc(-c2noc(C[C@@H]3COCCN3)n2)cc1[N+](=O)[O-] ZINC000822722265 705019390 /nfs/dbraw/zinc/01/93/90/705019390.db2.gz CXXDAAGIHYGBDZ-LLVKDONJSA-N 0 1 304.306 1.484 20 5 DDBDMN CC(=O)NC[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860176993 705124016 /nfs/dbraw/zinc/12/40/16/705124016.db2.gz LFPMQRHCWIYUGN-HOTGVXAUSA-N 0 1 321.377 1.619 20 5 DDBDMN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N1CCN(C)CC1 ZINC000827579965 706030593 /nfs/dbraw/zinc/03/05/93/706030593.db2.gz NEWPRQOIXZDTBW-LLVKDONJSA-N 0 1 324.356 1.100 20 5 DDBDMN Cc1ccc(OS(=O)(=O)CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000867011251 706871589 /nfs/dbraw/zinc/87/15/89/706871589.db2.gz LPKZRNXHIYIOFN-UHFFFAOYSA-N 0 1 314.363 1.706 20 5 DDBDMN O=C1NCC[C@@H]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]12 ZINC000880527336 707004699 /nfs/dbraw/zinc/00/46/99/707004699.db2.gz ROZWIGJNQLCTQJ-IINYFYTJSA-N 0 1 305.334 1.401 20 5 DDBDMN Cc1ccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000872160396 707309826 /nfs/dbraw/zinc/30/98/26/707309826.db2.gz GKPZPVYZECNAKJ-XJKSGUPXSA-N 0 1 320.345 1.826 20 5 DDBDMN Cc1cc([N+](=O)[O-])c(C(=O)N2CCc3[nH]nnc3C2)cc1Cl ZINC000836724744 707507411 /nfs/dbraw/zinc/50/74/11/707507411.db2.gz LXJHKDKUKQXVFE-UHFFFAOYSA-N 0 1 321.724 1.873 20 5 DDBDMN O=C(CN1CCCCCC1=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837320300 707619950 /nfs/dbraw/zinc/61/99/50/707619950.db2.gz FDGOFMMCAMVIHM-UHFFFAOYSA-N 0 1 322.317 1.746 20 5 DDBDMN C[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837355224 707627904 /nfs/dbraw/zinc/62/79/04/707627904.db2.gz QZXPGHHNCJCYFM-SECBINFHSA-N 0 1 324.333 1.894 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1CCCS1(=O)=O ZINC000873080000 707721914 /nfs/dbraw/zinc/72/19/14/707721914.db2.gz JFUVENDQXFXVBA-GFCCVEGCSA-N 0 1 312.391 1.878 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC1CN(c2ccncn2)C1 ZINC000873148922 707750171 /nfs/dbraw/zinc/75/01/71/707750171.db2.gz JPNHOLGTLMIXOL-UHFFFAOYSA-N 0 1 313.361 1.980 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(=O)OC(C)C)CC1 ZINC000886732609 708826815 /nfs/dbraw/zinc/82/68/15/708826815.db2.gz LMCDNEOGADGXNG-UHFFFAOYSA-N 0 1 324.381 1.763 20 5 DDBDMN COc1c(O)ccc(CN2CC[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000892176465 710388536 /nfs/dbraw/zinc/38/85/36/710388536.db2.gz VHVFXTUVEAZCGO-HNNXBMFYSA-N 0 1 308.334 1.921 20 5 DDBDMN COc1cc([N+](=O)[O-])cnc1N[C@H](C)CN1CCN(C)CC1 ZINC000892403103 710430861 /nfs/dbraw/zinc/43/08/61/710430861.db2.gz VAMJEGBIPBJARL-LLVKDONJSA-N 0 1 309.370 1.046 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892774916 710496377 /nfs/dbraw/zinc/49/63/77/710496377.db2.gz VJGORPLBZLXVBW-INIZCTEOSA-N 0 1 319.361 1.818 20 5 DDBDMN Cn1cnc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000903350361 711100769 /nfs/dbraw/zinc/10/07/69/711100769.db2.gz AZQZNXUDPDRTJD-STQMWFEESA-N 0 1 304.354 1.798 20 5 DDBDMN CCN1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1C ZINC000912025198 711129629 /nfs/dbraw/zinc/12/96/29/711129629.db2.gz ZMLOUQNYDZYKQA-PHIMTYICSA-N 0 1 306.366 1.732 20 5 DDBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000913536140 713248792 /nfs/dbraw/zinc/24/87/92/713248792.db2.gz KBZUILSKACMKGR-GASCZTMLSA-N 0 1 303.362 1.832 20 5 DDBDMN Cn1nccc1[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000922974536 714201448 /nfs/dbraw/zinc/20/14/48/714201448.db2.gz XCLJKXQLKSDLIH-ZDUSSCGKSA-N 0 1 310.741 1.805 20 5 DDBDMN CC(C)C1(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000948274563 719428018 /nfs/dbraw/zinc/42/80/18/719428018.db2.gz CJGMSUFMILXYDC-CHWSQXEVSA-N 0 1 323.393 1.195 20 5 DDBDMN CCn1nccc1C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126184558 738484645 /nfs/dbraw/zinc/48/46/45/738484645.db2.gz MDRBRMBVYTZIIR-UHFFFAOYSA-N 0 1 317.349 1.331 20 5 DDBDMN Cc1cc(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC001125546556 734481054 /nfs/dbraw/zinc/48/10/54/734481054.db2.gz GJWHPMDMIIWFGJ-UHFFFAOYSA-N 0 1 317.349 1.075 20 5 DDBDMN Cc1cc(CC(=O)NCCNCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001125546556 734481056 /nfs/dbraw/zinc/48/10/56/734481056.db2.gz GJWHPMDMIIWFGJ-UHFFFAOYSA-N 0 1 317.349 1.075 20 5 DDBDMN COc1cc(C(=O)N2CCC[C@H]2c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC001167526762 734662414 /nfs/dbraw/zinc/66/24/14/734662414.db2.gz CYDBWECVLGOUBD-NSHDSACASA-N 0 1 317.305 1.699 20 5 DDBDMN CC(C)(C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC001011114208 734669304 /nfs/dbraw/zinc/66/93/04/734669304.db2.gz JBFZWKVNTNCMKB-CHWSQXEVSA-N 0 1 323.393 1.149 20 5 DDBDMN CS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Cl ZINC001125843061 736459028 /nfs/dbraw/zinc/45/90/28/736459028.db2.gz WMUWOTXWLCQIKB-VXNVDRBHSA-N 0 1 318.738 1.347 20 5 DDBDMN CC(C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025685041 736820137 /nfs/dbraw/zinc/82/01/37/736820137.db2.gz AMPUANWWJUJOAU-NHAGDIPZSA-N 0 1 303.362 1.797 20 5 DDBDMN O=C(Cc1ccoc1)NCCNCc1ccccc1[N+](=O)[O-] ZINC001126134617 738370981 /nfs/dbraw/zinc/37/09/81/738370981.db2.gz IYZXYZLAPZQZAY-UHFFFAOYSA-N 0 1 303.318 1.636 20 5 DDBDMN O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001059717759 741617673 /nfs/dbraw/zinc/61/76/73/741617673.db2.gz XSQUYQJMXBLUBJ-PHIMTYICSA-N 0 1 316.321 1.015 20 5 DDBDMN O=C(NC1CN(Cc2ccccc2[N+](=O)[O-])C1)c1[nH]ncc1F ZINC001030912571 744820061 /nfs/dbraw/zinc/82/00/61/744820061.db2.gz WFBNGWTUUDHZMN-UHFFFAOYSA-N 0 1 319.296 1.071 20 5 DDBDMN COC(=O)c1cnc2c(c1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169055915 762210807 /nfs/dbraw/zinc/21/08/07/762210807.db2.gz RFGKWGUWYYRBGX-RISCZKNCSA-N 0 1 319.361 1.672 20 5 DDBDMN Cc1coc(C(=O)NC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCC2)c1 ZINC001062990538 753902790 /nfs/dbraw/zinc/90/27/90/753902790.db2.gz LQFFPNQKGKSRQG-GHMZBOCLSA-N 0 1 321.333 1.022 20 5 DDBDMN Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000823785271 758362701 /nfs/dbraw/zinc/36/27/01/758362701.db2.gz ZZQIEMZNCHWRON-SWLSCSKDSA-N 0 1 320.393 1.267 20 5 DDBDMN Cc1ccc(CN2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001042705447 764372816 /nfs/dbraw/zinc/37/28/16/764372816.db2.gz RDYBDBNFVQGOOE-HUUCEWRRSA-N 0 1 318.377 1.006 20 5 DDBDMN CCN(CCNC(=O)c1cnn[nH]1)c1cc(C)ccc1[N+](=O)[O-] ZINC001100762548 776508987 /nfs/dbraw/zinc/50/89/87/776508987.db2.gz BMDZDPSEHVYWNI-UHFFFAOYSA-N 0 1 318.337 1.278 20 5 DDBDMN CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1ccn[nH]1 ZINC001101534844 777224648 /nfs/dbraw/zinc/22/46/48/777224648.db2.gz BIOUXOYBOWYIPC-UHFFFAOYSA-N 0 1 321.312 1.570 20 5 DDBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N(Cc2nn[nH]n2)CC(C)C)n1 ZINC001176602743 778201650 /nfs/dbraw/zinc/20/16/50/778201650.db2.gz UBJUJRUVMOQONS-UHFFFAOYSA-N 0 1 319.325 1.110 20 5 DDBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)C1(O)CCCC1)CC2 ZINC001119684609 781562556 /nfs/dbraw/zinc/56/25/56/781562556.db2.gz CPEJOVPFKCPDHM-HNNXBMFYSA-N 0 1 306.362 1.619 20 5 DDBDMN O=C(NCC1(NCc2ccc([N+](=O)[O-])cc2)CC1)c1ncc[nH]1 ZINC001269407233 841614011 /nfs/dbraw/zinc/61/40/11/841614011.db2.gz HLPUHAUZOMIOOL-UHFFFAOYSA-N 0 1 315.333 1.370 20 5 DDBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H](O)c1cnc[nH]1 ZINC001155090372 861720785 /nfs/dbraw/zinc/72/07/85/861720785.db2.gz GMSPBPVTUHBXDT-CYBMUJFWSA-N 0 1 322.296 1.239 20 5 DDBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H](O)c1cnc[nH]1 ZINC001155090373 861720807 /nfs/dbraw/zinc/72/08/07/861720807.db2.gz GMSPBPVTUHBXDT-ZDUSSCGKSA-N 0 1 322.296 1.239 20 5 DDBDMN COC[C@H]1CNCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001122417935 858800432 /nfs/dbraw/zinc/80/04/32/858800432.db2.gz AGFKZYWIJINONS-GFCCVEGCSA-N 0 1 313.741 1.309 20 5 DDBDMN Nc1cn[nH]c1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001159311583 865217096 /nfs/dbraw/zinc/21/70/96/865217096.db2.gz VNUBMRHFNOSTIH-MRVPVSSYSA-N 0 1 319.296 1.669 20 5 DDBDMN Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC001320466953 866760915 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CC(C)(C)c1ccc(C(=O)N2CCNC[C@H]2CO)cc1[N+](=O)[O-] ZINC001340843466 871384251 /nfs/dbraw/zinc/38/42/51/871384251.db2.gz AUSSNSSORVAVGL-LBPRGKRZSA-N 0 1 321.377 1.299 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC001307202560 871408638 /nfs/dbraw/zinc/40/86/38/871408638.db2.gz YIOFKUSZPHJTAO-SNVBAGLBSA-N 0 1 305.342 1.622 20 5 DDBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCCN1 ZINC001341464625 871667915 /nfs/dbraw/zinc/66/79/15/871667915.db2.gz WUCBCBNMNRUFOZ-SECBINFHSA-N 0 1 311.363 1.035 20 5 DDBDMN O=C(NCCN1CC=CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001319035106 872407027 /nfs/dbraw/zinc/40/70/27/872407027.db2.gz GTQWRIBXAZDFEP-UHFFFAOYSA-N 0 1 300.318 1.678 20 5 DDBDMN Cc1cc(NC(=O)NC[C@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1 ZINC001350262730 875602428 /nfs/dbraw/zinc/60/24/28/875602428.db2.gz RYAGIUWPVSILIX-AWEZNQCLSA-N 0 1 321.381 1.271 20 5 DDBDMN CCN1CC[C@@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)C1 ZINC001229941150 884239358 /nfs/dbraw/zinc/23/93/58/884239358.db2.gz JDFOATAIQFLTHR-SECBINFHSA-N 0 1 312.297 1.994 20 5 DDBDMN CCN1CC[C@H](Oc2cc(C(=O)OC)c([N+](=O)[O-])cc2F)C1 ZINC001229941151 884241112 /nfs/dbraw/zinc/24/11/12/884241112.db2.gz JDFOATAIQFLTHR-VIFPVBQESA-N 0 1 312.297 1.994 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@H](O)[C@H](F)C3)CC2)cc1 ZINC001254474920 896456931 /nfs/dbraw/zinc/45/69/31/896456931.db2.gz WNBLXZYSFVKJAQ-HZPDHXFCSA-N 0 1 323.368 1.968 20 5 DDBDMN COC(=O)C1(O)CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254567963 896504968 /nfs/dbraw/zinc/50/49/68/896504968.db2.gz DJLSOWYISSSWIN-LBPRGKRZSA-N 0 1 322.361 1.526 20 5 DDBDMN CCc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])c(F)cc2N)n[nH]1 ZINC001261585536 899648134 /nfs/dbraw/zinc/64/81/34/899648134.db2.gz BCGBGIJBRUBBRB-LURJTMIESA-N 0 1 323.284 1.915 20 5 DDBDMN CC(C)=C(C)CC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283425644 907341119 /nfs/dbraw/zinc/34/11/19/907341119.db2.gz VPOSHUJUEAJVIZ-ZIAGYGMSSA-N 0 1 323.393 1.505 20 5 DDBDMN O=C(CC1=CCCCC1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285500117 910677755 /nfs/dbraw/zinc/67/77/55/910677755.db2.gz MJKMJHYMQAXZGM-KOABKASLSA-N 0 1 321.377 1.331 20 5 DDBDMN CC(C)=CC(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001286041136 911610655 /nfs/dbraw/zinc/61/06/55/911610655.db2.gz UVXRAUDYTDSCBK-CHWSQXEVSA-N 0 1 323.393 1.553 20 5 DDBDMN COc1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)cc1[N+](=O)[O-] ZINC000278396060 214140878 /nfs/dbraw/zinc/14/08/78/214140878.db2.gz FGJSMZMFOGGZSJ-ZDUSSCGKSA-N 0 1 319.361 1.846 20 5 DDBDMN COCCNC(=O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000272860797 210254300 /nfs/dbraw/zinc/25/43/00/210254300.db2.gz QIMRFOVJPZRHHL-UHFFFAOYSA-N 0 1 318.333 1.626 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)C2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000278658806 214306752 /nfs/dbraw/zinc/30/67/52/214306752.db2.gz RVIOUFGOZLJADG-UHFFFAOYSA-N 0 1 310.354 1.910 20 5 DDBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000447072996 529976639 /nfs/dbraw/zinc/97/66/39/529976639.db2.gz PZWASVFRPLXNAK-UHFFFAOYSA-N 0 1 320.353 1.621 20 5 DDBDMN C[C@H]1COCC[C@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287104738 219315263 /nfs/dbraw/zinc/31/52/63/219315263.db2.gz ZHHMRRWZMQGWTQ-UWVGGRQHSA-N 0 1 318.333 1.874 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](n2cncn2)C1 ZINC000272602761 186426775 /nfs/dbraw/zinc/42/67/75/186426775.db2.gz XTXARTPHSGALFL-NSHDSACASA-N 0 1 317.305 1.369 20 5 DDBDMN C[C@@H]1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000047432964 352495449 /nfs/dbraw/zinc/49/54/49/352495449.db2.gz YZHZBALFGUFOST-BETUJISGSA-N 0 1 321.377 1.824 20 5 DDBDMN C[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000174561940 198352514 /nfs/dbraw/zinc/35/25/14/198352514.db2.gz XUHYFBBLUXJYOY-SECBINFHSA-N 0 1 304.310 1.392 20 5 DDBDMN Nc1nc(Nc2cnn(C[C@H]3CCCO3)c2)ncc1[N+](=O)[O-] ZINC000076268410 353409702 /nfs/dbraw/zinc/40/97/02/353409702.db2.gz AOZAWHHYFSFUBP-SECBINFHSA-N 0 1 305.298 1.086 20 5 DDBDMN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H](C)N1C ZINC000590378026 355078348 /nfs/dbraw/zinc/07/83/48/355078348.db2.gz VVZIYLSVXJZCSF-TXEJJXNPSA-N 0 1 321.377 1.890 20 5 DDBDMN Cc1nc(C)n(C2CN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000591833196 355392672 /nfs/dbraw/zinc/39/26/72/355392672.db2.gz ZPVPIFNJQOUBDA-UHFFFAOYSA-N 0 1 317.305 1.206 20 5 DDBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000591785470 355385528 /nfs/dbraw/zinc/38/55/28/355385528.db2.gz NGERCHNZVVAVLH-CDUCUWFYSA-N 0 1 308.212 1.342 20 5 DDBDMN COC(=O)[C@@H]1C[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592530722 355616063 /nfs/dbraw/zinc/61/60/63/355616063.db2.gz GILQIQUMOGUKBD-TZMCWYRMSA-N 0 1 308.334 1.259 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[NH2+]CC2)s1 ZINC000592386821 355572943 /nfs/dbraw/zinc/57/29/43/355572943.db2.gz ADYGKIRUNGDTPM-MRVPVSSYSA-N 0 1 305.381 1.077 20 5 DDBDMN Cc1cc(NCC[N@H+]2CCCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592977563 355760062 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CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000565206890 304052330 /nfs/dbraw/zinc/05/23/30/304052330.db2.gz HUHHXNCBTFDTSK-PHIMTYICSA-N 0 1 307.350 1.855 20 5 DDBDMN CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757167 356309011 /nfs/dbraw/zinc/30/90/11/356309011.db2.gz NCHGKXZLPZTOPC-UWVGGRQHSA-N 0 1 317.367 1.065 20 5 DDBDMN Cc1noc(CN2CCCN(C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000595299526 356439533 /nfs/dbraw/zinc/43/95/33/356439533.db2.gz TUYQJYCZMIRWKZ-CYBMUJFWSA-N 0 1 324.381 1.578 20 5 DDBDMN Cc1noc(C[NH+]2CCC(c3n[nH]c(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC000595465538 356502908 /nfs/dbraw/zinc/50/29/08/356502908.db2.gz OPKJLWPQVIVCFL-UHFFFAOYSA-N 0 1 308.298 1.095 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2COC[C@@H]2C1 ZINC000595833833 356670476 /nfs/dbraw/zinc/67/04/76/356670476.db2.gz RZRUGRHRWBHWCM-AGIUHOORSA-N 0 1 319.361 1.890 20 5 DDBDMN CC(C)(N)c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])on1 ZINC000595926008 356707037 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DDBDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597858109 357360742 /nfs/dbraw/zinc/36/07/42/357360742.db2.gz JQDGAGBXAZMYSQ-NSHDSACASA-N 0 1 307.350 1.903 20 5 DDBDMN C[C@@H](CO)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598017243 357427157 /nfs/dbraw/zinc/42/71/57/357427157.db2.gz BLKAJWNHBZMUMJ-HZMBPMFUSA-N 0 1 308.334 1.924 20 5 DDBDMN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1CO ZINC000598645102 357667370 /nfs/dbraw/zinc/66/73/70/357667370.db2.gz DOKXKCKRNLTKSL-BXUZGUMPSA-N 0 1 322.361 1.912 20 5 DDBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598564401 357634351 /nfs/dbraw/zinc/63/43/51/357634351.db2.gz LAYRTGNIHLHBRA-SREIQFSDSA-N 0 1 318.280 1.511 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCO[C@@](C)(C(F)F)C2)c1[N+](=O)[O-] ZINC000598575590 357637856 /nfs/dbraw/zinc/63/78/56/357637856.db2.gz WLVQGIMUFRGRAH-GFCCVEGCSA-N 0 1 318.280 1.377 20 5 DDBDMN COC(=O)[C@@]1(OC)CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000599558893 357972637 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0 1 320.349 1.253 20 5 DDBDMN C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000600824076 358326229 /nfs/dbraw/zinc/32/62/29/358326229.db2.gz JUQLOUJLHPWYBP-OAHLLOKOSA-N 0 1 320.349 1.253 20 5 DDBDMN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000600824076 358326231 /nfs/dbraw/zinc/32/62/31/358326231.db2.gz JUQLOUJLHPWYBP-OAHLLOKOSA-N 0 1 320.349 1.253 20 5 DDBDMN CNC(=O)c1ccc(N2CC(N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000601193766 358441226 /nfs/dbraw/zinc/44/12/26/358441226.db2.gz OTHXSRWYERAVNB-UHFFFAOYSA-N 0 1 304.350 1.239 20 5 DDBDMN CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](CO)C1 ZINC000601979433 358763674 /nfs/dbraw/zinc/76/36/74/358763674.db2.gz FZAVYLXSIBOFLA-NSHDSACASA-N 0 1 302.334 1.256 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(CC2CC2)CC1 ZINC000602958935 359322303 /nfs/dbraw/zinc/32/23/03/359322303.db2.gz RCLRLPCOLPQPBG-UHFFFAOYSA-N 0 1 319.365 1.280 20 5 DDBDMN C[C@@H]1COCCN1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000603400392 359616459 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O=C(NCCOC[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611556476 360758981 /nfs/dbraw/zinc/75/89/81/360758981.db2.gz DTOXULRNCJMTJS-SNVBAGLBSA-N 0 1 310.306 1.083 20 5 DDBDMN COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565845428 304098037 /nfs/dbraw/zinc/09/80/37/304098037.db2.gz YXWCGYIHHIWZED-AAEUAGOBSA-N 0 1 324.333 1.667 20 5 DDBDMN O=C1CCC[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000618970430 363822238 /nfs/dbraw/zinc/82/22/38/363822238.db2.gz UYAAEXDWHGFXMU-NSHDSACASA-N 0 1 321.333 1.124 20 5 DDBDMN CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000349976893 284124727 /nfs/dbraw/zinc/12/47/27/284124727.db2.gz XOZLZBKCEWBSPV-UHFFFAOYSA-N 0 1 306.322 1.077 20 5 DDBDMN CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000349976893 284124731 /nfs/dbraw/zinc/12/47/31/284124731.db2.gz XOZLZBKCEWBSPV-UHFFFAOYSA-N 0 1 306.322 1.077 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000351151909 284305307 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COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCOC1 ZINC000178763724 407590548 /nfs/dbraw/zinc/59/05/48/407590548.db2.gz MZHMXAORDXUXKO-NSHDSACASA-N 0 1 323.349 1.510 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCOC1 ZINC000178760060 407591115 /nfs/dbraw/zinc/59/11/15/407591115.db2.gz FNNGOLQTRZYCFE-GFCCVEGCSA-N 0 1 307.350 1.810 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261779133 407612409 /nfs/dbraw/zinc/61/24/09/407612409.db2.gz WUPJADKFCGXUST-JTQLQIEISA-N 0 1 307.306 1.330 20 5 DDBDMN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261779133 407612422 /nfs/dbraw/zinc/61/24/22/407612422.db2.gz WUPJADKFCGXUST-JTQLQIEISA-N 0 1 307.306 1.330 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCn3cccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000171664348 407736613 /nfs/dbraw/zinc/73/66/13/407736613.db2.gz KPDHTXFWGKGNHX-VIFPVBQESA-N 0 1 303.322 1.899 20 5 DDBDMN CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000186746342 407761442 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20 5 DDBDMN C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000272493859 407947445 /nfs/dbraw/zinc/94/74/45/407947445.db2.gz FMKMPXGGROZBLU-UHFFFAOYSA-N 0 1 308.338 1.157 20 5 DDBDMN Cc1c([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1C ZINC000272558506 407982917 /nfs/dbraw/zinc/98/29/17/407982917.db2.gz LMMGUZVSMUOPSL-MRVPVSSYSA-N 0 1 304.306 1.833 20 5 DDBDMN CCc1ccc([C@H](COC)NC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000119420354 408066603 /nfs/dbraw/zinc/06/66/03/408066603.db2.gz YLVJEYSTRIYBOT-VIFPVBQESA-N 0 1 308.294 1.591 20 5 DDBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOCC(F)F)C2)nc1 ZINC000189677552 408077166 /nfs/dbraw/zinc/07/71/66/408077166.db2.gz VBZSFNHBNMBFGS-SNVBAGLBSA-N 0 1 316.308 1.758 20 5 DDBDMN CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154777049 408081360 /nfs/dbraw/zinc/08/13/60/408081360.db2.gz WMTGXZGOGRUMNE-LLVKDONJSA-N 0 1 322.365 1.380 20 5 DDBDMN CNC(=O)CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154777049 408081364 /nfs/dbraw/zinc/08/13/64/408081364.db2.gz WMTGXZGOGRUMNE-LLVKDONJSA-N 0 1 322.365 1.380 20 5 DDBDMN C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1CO ZINC000190440529 408246773 /nfs/dbraw/zinc/24/67/73/408246773.db2.gz MYQNXVSWHMYHLY-ZWNOBZJWSA-N 0 1 318.333 1.848 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170736942 162190052 /nfs/dbraw/zinc/19/00/52/162190052.db2.gz LWHXJQOHLWBHPU-JTQLQIEISA-N 0 1 306.322 1.006 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000159277032 408397253 /nfs/dbraw/zinc/39/72/53/408397253.db2.gz BPUNFVXTQQBFAB-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN CCCc1n[nH]c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1[N+](=O)[O-] ZINC000161274257 408581387 /nfs/dbraw/zinc/58/13/87/408581387.db2.gz ICMJFMIHNLBRRN-MRVPVSSYSA-N 0 1 320.353 1.663 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000248530796 408582048 /nfs/dbraw/zinc/58/20/48/408582048.db2.gz FBVGQFMQCYANST-KBPBESRZSA-N 0 1 317.349 1.974 20 5 DDBDMN Cc1cc(C[C@H](C)NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000162447653 408702254 /nfs/dbraw/zinc/70/22/54/408702254.db2.gz DENNQSRFCFPHFG-VIFPVBQESA-N 0 1 320.353 1.305 20 5 DDBDMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000285631148 408832401 /nfs/dbraw/zinc/83/24/01/408832401.db2.gz AFKVZRCVMLADTK-GXSJLCMTSA-N 0 1 322.287 1.284 20 5 DDBDMN CN1CC[C@@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285704936 408847109 /nfs/dbraw/zinc/84/71/09/408847109.db2.gz IYVGSUYMFUFCBY-KBPBESRZSA-N 0 1 305.334 1.140 20 5 DDBDMN O=C(NC1(c2nc[nH]n2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000280883599 408852820 /nfs/dbraw/zinc/85/28/20/408852820.db2.gz UMEQSAAAQWOHFN-UHFFFAOYSA-N 0 1 303.278 1.228 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC=C(c3ccncc3)C2)c1[N+](=O)[O-] ZINC000286281334 408955197 /nfs/dbraw/zinc/95/51/97/408955197.db2.gz TUQLQVVEYWMHQF-UHFFFAOYSA-N 0 1 313.317 1.951 20 5 DDBDMN C[C@H](O)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000278801460 409092597 /nfs/dbraw/zinc/09/25/97/409092597.db2.gz RKVIOZUPGQINQM-QMMMGPOBSA-N 0 1 306.315 1.173 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000279853637 409252133 /nfs/dbraw/zinc/25/21/33/409252133.db2.gz GAPWKSRZMPEIPW-BXKDBHETSA-N 0 1 322.365 1.910 20 5 DDBDMN O=C(CCOc1ccccc1[N+](=O)[O-])NCCN1CC=CCC1 ZINC000280337217 409294173 /nfs/dbraw/zinc/29/41/73/409294173.db2.gz VUKNNQPDPOOOHL-UHFFFAOYSA-N 0 1 319.361 1.742 20 5 DDBDMN COc1ccc(OCC[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000263090625 163913332 /nfs/dbraw/zinc/91/33/32/163913332.db2.gz IVBQJQKGASMAGB-JTQLQIEISA-N 0 1 324.333 1.920 20 5 DDBDMN Cc1n[nH]c(C(=O)N(C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC000290632916 409469327 /nfs/dbraw/zinc/46/93/27/409469327.db2.gz LXGABHHUQSIHIT-UHFFFAOYSA-N 0 1 317.349 1.965 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCOCC2(CCC2)C1 ZINC000408219465 164264996 /nfs/dbraw/zinc/26/49/96/164264996.db2.gz NLQPEARQXRMPPH-UHFFFAOYSA-N 0 1 306.318 1.943 20 5 DDBDMN O=C(N[C@H](CO)Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356797683 409617472 /nfs/dbraw/zinc/61/74/72/409617472.db2.gz YYLQMPCRXALCJZ-ZDUSSCGKSA-N 0 1 316.313 1.634 20 5 DDBDMN O=C(NCCOc1ncccc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356796233 409616043 /nfs/dbraw/zinc/61/60/43/409616043.db2.gz FIWDCFGXDAHHMC-UHFFFAOYSA-N 0 1 321.264 1.643 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356897302 409700878 /nfs/dbraw/zinc/70/08/78/409700878.db2.gz ZNHDCVPMNGTDII-GHMZBOCLSA-N 0 1 309.370 1.041 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356897302 409700890 /nfs/dbraw/zinc/70/08/90/409700890.db2.gz ZNHDCVPMNGTDII-GHMZBOCLSA-N 0 1 309.370 1.041 20 5 DDBDMN CCc1nc(CNC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000296974762 409737675 /nfs/dbraw/zinc/73/76/75/409737675.db2.gz XIEXZCMMBSCZCY-UHFFFAOYSA-N 0 1 320.309 1.606 20 5 DDBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1(c2nn[nH]n2)CC1 ZINC000357077658 409847682 /nfs/dbraw/zinc/84/76/82/409847682.db2.gz XAJYSBIDAWASDV-UHFFFAOYSA-N 0 1 320.334 1.006 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)Cc2cc(C)n[nH]2)n1 ZINC000342664547 409797745 /nfs/dbraw/zinc/79/77/45/409797745.db2.gz BNDBXKRZVKVPMM-MRVPVSSYSA-N 0 1 319.321 1.851 20 5 DDBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357027015 409808130 /nfs/dbraw/zinc/80/81/30/409808130.db2.gz OCETYLPYCIYMSO-UHFFFAOYSA-N 0 1 305.269 1.661 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCN1C ZINC000357663689 410171340 /nfs/dbraw/zinc/17/13/40/410171340.db2.gz LZSLZOLLHHSKLM-LBPRGKRZSA-N 0 1 313.379 1.276 20 5 DDBDMN CN(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000347100131 410342406 /nfs/dbraw/zinc/34/24/06/410342406.db2.gz UKTPWSWRMGRYMK-JTQLQIEISA-N 0 1 323.378 1.423 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000298689712 410348713 /nfs/dbraw/zinc/34/87/13/410348713.db2.gz SGULLFJFVVAYNQ-UHFFFAOYSA-N 0 1 303.322 1.968 20 5 DDBDMN CC1=CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355337101 410451977 /nfs/dbraw/zinc/45/19/77/410451977.db2.gz PRRPGHRCWWRBDP-UHFFFAOYSA-N 0 1 303.362 1.906 20 5 DDBDMN C[C@@H]1[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000343718213 410642687 /nfs/dbraw/zinc/64/26/87/410642687.db2.gz CZLLPQJUQRXBKB-HZSPNIEDSA-N 0 1 323.393 1.359 20 5 DDBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000330565224 410781620 /nfs/dbraw/zinc/78/16/20/410781620.db2.gz ACZKFZRTZIDVSU-QWHCGFSZSA-N 0 1 320.393 1.582 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000331117153 410957320 /nfs/dbraw/zinc/95/73/20/410957320.db2.gz DXIRKQJUGKOIJB-CQSZACIVSA-N 0 1 321.377 1.772 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1C ZINC000331117153 410957325 /nfs/dbraw/zinc/95/73/25/410957325.db2.gz DXIRKQJUGKOIJB-CQSZACIVSA-N 0 1 321.377 1.772 20 5 DDBDMN CCCc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126543 410965545 /nfs/dbraw/zinc/96/55/45/410965545.db2.gz HTGIQLWNOLWQDX-GFCCVEGCSA-N 0 1 323.397 1.683 20 5 DDBDMN CCCc1n[nH]c(C(=O)N2CCN(C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331126543 410965550 /nfs/dbraw/zinc/96/55/50/410965550.db2.gz HTGIQLWNOLWQDX-GFCCVEGCSA-N 0 1 323.397 1.683 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-] ZINC000344241325 411047572 /nfs/dbraw/zinc/04/75/72/411047572.db2.gz ATACZXADERNYIP-QMMMGPOBSA-N 0 1 318.337 1.452 20 5 DDBDMN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cn2)[nH]nc1-c1ccncc1 ZINC000366139250 418433435 /nfs/dbraw/zinc/43/34/35/418433435.db2.gz CIRQYMIZFFKKJG-UHFFFAOYSA-N 0 1 324.300 2.336 20 5 DDBDMN Cc1c([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000360848406 418533821 /nfs/dbraw/zinc/53/38/21/418533821.db2.gz KJNFMOQACJLTCD-ZDUSSCGKSA-N 0 1 304.354 1.670 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000361507234 418665192 /nfs/dbraw/zinc/66/51/92/418665192.db2.gz RBXAECKAQXUGJK-LLVKDONJSA-N 0 1 321.333 1.638 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000361507234 418665194 /nfs/dbraw/zinc/66/51/94/418665194.db2.gz RBXAECKAQXUGJK-LLVKDONJSA-N 0 1 321.333 1.638 20 5 DDBDMN COc1ccc(CN(CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000361563861 418679195 /nfs/dbraw/zinc/67/91/95/418679195.db2.gz LMIMPQYUSNQCTM-YPMHNXCESA-N 0 1 310.350 1.575 20 5 DDBDMN Nc1ncc([N+](=O)[O-])cc1-c1nc(C2(N)CCCCC2)no1 ZINC000424347069 228259765 /nfs/dbraw/zinc/25/97/65/228259765.db2.gz KPIGSZUOZGSSOT-UHFFFAOYSA-N 0 1 304.310 1.740 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425066660 228360266 /nfs/dbraw/zinc/36/02/66/228360266.db2.gz PELIVMGFQVZBQX-QMMMGPOBSA-N 0 1 305.269 1.482 20 5 DDBDMN COc1cc(CN2CCN(CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000426484128 419484010 /nfs/dbraw/zinc/48/40/10/419484010.db2.gz KZIDLFIZJLALFQ-GFCCVEGCSA-N 0 1 309.366 1.102 20 5 DDBDMN C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000418110978 419536883 /nfs/dbraw/zinc/53/68/83/419536883.db2.gz KGESZPHNGHOCRE-NWDGAFQWSA-N 0 1 309.366 1.187 20 5 DDBDMN CCN(CCNC(=O)c1[nH]ncc1[N+](=O)[O-])CCC(F)(F)F ZINC000427266952 419629201 /nfs/dbraw/zinc/62/92/01/419629201.db2.gz MNIUHZNNJBBBGL-UHFFFAOYSA-N 0 1 323.275 1.322 20 5 DDBDMN COCCn1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC000427920598 419770079 /nfs/dbraw/zinc/77/00/79/419770079.db2.gz BZPWZEMGWNKVGS-UHFFFAOYSA-N 0 1 306.278 1.396 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](CCO)CC2)c1[N+](=O)[O-] ZINC000422048931 419825786 /nfs/dbraw/zinc/82/57/86/419825786.db2.gz AXJPOXQTZYCSAK-LLVKDONJSA-N 0 1 324.381 1.895 20 5 DDBDMN COCC[C@@]1(NCc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000430240137 420095000 /nfs/dbraw/zinc/09/50/00/420095000.db2.gz LLUDMXSOAQZCHE-OAHLLOKOSA-N 0 1 310.350 1.889 20 5 DDBDMN C[C@@H]1CCCC[N@H+]1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591235 420325747 /nfs/dbraw/zinc/32/57/47/420325747.db2.gz XFYVQFMHHMEAGA-LLVKDONJSA-N 0 1 306.366 1.980 20 5 DDBDMN CN(C[C@H]1CCCN1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420766108 420383419 /nfs/dbraw/zinc/38/34/19/420383419.db2.gz LWBQONSKGARSOZ-GFCCVEGCSA-N 0 1 313.379 1.310 20 5 DDBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000444979772 230147715 /nfs/dbraw/zinc/14/77/15/230147715.db2.gz AYEUQKMBXFCPBD-NSHDSACASA-N 0 1 306.322 1.004 20 5 DDBDMN CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000444979772 230147718 /nfs/dbraw/zinc/14/77/18/230147718.db2.gz AYEUQKMBXFCPBD-NSHDSACASA-N 0 1 306.322 1.004 20 5 DDBDMN O=C(CCc1nc[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446594071 230282327 /nfs/dbraw/zinc/28/23/27/230282327.db2.gz CYQFZGJMVLZIMH-UHFFFAOYSA-N 0 1 301.306 1.230 20 5 DDBDMN C[C@H](NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000492334605 420527978 /nfs/dbraw/zinc/52/79/78/420527978.db2.gz CAJRLHVKNDUEGL-NHLYECAPSA-N 0 1 305.269 1.743 20 5 DDBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)[C@@H]3CCCO3)nc2c1 ZINC000447913609 420817016 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CN([C@@H]1CCC[C@H]1O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000511586256 421433247 /nfs/dbraw/zinc/43/32/47/421433247.db2.gz QQJFICOFDACSCV-QLFBSQMISA-N 0 1 319.361 1.545 20 5 DDBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000548412729 421435252 /nfs/dbraw/zinc/43/52/52/421435252.db2.gz FDEAQZJWAOIUKH-UHFFFAOYSA-N 0 1 308.201 1.441 20 5 DDBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3ncc[nH]3)CC2)cc1 ZINC000562629625 421388720 /nfs/dbraw/zinc/38/87/20/421388720.db2.gz DHDTXBBLBVWCSQ-UHFFFAOYSA-N 0 1 301.350 1.683 20 5 DDBDMN O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000544581979 421845982 /nfs/dbraw/zinc/84/59/82/421845982.db2.gz QAYMRLSYOHSPSP-LBPRGKRZSA-N 0 1 312.289 1.560 20 5 DDBDMN COc1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000582130958 422117730 /nfs/dbraw/zinc/11/77/30/422117730.db2.gz SDBWSRGMIFILSV-LLVKDONJSA-N 0 1 307.350 1.561 20 5 DDBDMN CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000341776958 271209616 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C[C@@H]1CN(CCO)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000450949262 274348949 /nfs/dbraw/zinc/34/89/49/274348949.db2.gz AMDUUSOZTPNQDQ-GFCCVEGCSA-N 0 1 316.361 1.646 20 5 DDBDMN COCC(C)(C)N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000425283622 277481594 /nfs/dbraw/zinc/48/15/94/277481594.db2.gz UDHAIHDBHPDYFO-UHFFFAOYSA-N 0 1 308.382 1.845 20 5 DDBDMN CC[C@H]1[C@@H](CO)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000332650422 288375594 /nfs/dbraw/zinc/37/55/94/288375594.db2.gz LHDAPMFQWYLBJQ-ZJUUUORDSA-N 0 1 310.354 1.674 20 5 DDBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3cccnn3)CC2)cc1 ZINC000170649075 298219952 /nfs/dbraw/zinc/21/99/52/298219952.db2.gz JHXJTFMCNIBOFR-UHFFFAOYSA-N 0 1 313.361 1.750 20 5 DDBDMN CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000354385987 298419939 /nfs/dbraw/zinc/41/99/39/298419939.db2.gz GCMCWTOBIQYZJE-STQMWFEESA-N 0 1 310.306 1.224 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000363037583 300202276 /nfs/dbraw/zinc/20/22/76/300202276.db2.gz IUZXGUPYVAWBAV-VIFPVBQESA-N 0 1 316.317 1.614 20 5 DDBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000363254779 300239261 /nfs/dbraw/zinc/23/92/61/300239261.db2.gz LVCPCFPVEPRGOV-ICGCDAGXSA-N 0 1 308.309 1.779 20 5 DDBDMN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000363620950 300288613 /nfs/dbraw/zinc/28/86/13/300288613.db2.gz ZFWAVACJSNMSCP-MRVWCRGKSA-N 0 1 307.325 1.576 20 5 DDBDMN O=C(NCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CC1[N+](=O)[O-] ZINC000363620450 300288783 /nfs/dbraw/zinc/28/87/83/300288783.db2.gz SNTQWBKDIHKHFV-NXEZZACHSA-N 0 1 322.708 1.671 20 5 DDBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)c2nonc21 ZINC000364417620 300393134 /nfs/dbraw/zinc/39/31/34/300393134.db2.gz HRCVYXWUGBCFLX-MRVPVSSYSA-N 0 1 315.293 1.633 20 5 DDBDMN CC(C)(C)NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365520674 300527331 /nfs/dbraw/zinc/52/73/31/300527331.db2.gz YXEAWIOPQWMGNJ-UHFFFAOYSA-N 0 1 309.370 1.343 20 5 DDBDMN 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Cc1cccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-] ZINC000425064978 534597044 /nfs/dbraw/zinc/59/70/44/534597044.db2.gz JKOLJCJSWGFFDP-JTQLQIEISA-N 0 1 301.306 1.651 20 5 DDBDMN CCOC(=O)[C@@H]1NCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000422948599 527913689 /nfs/dbraw/zinc/91/36/89/527913689.db2.gz ROVRCLZHNFSMBX-ZLKJLUDKSA-N 0 1 307.350 1.539 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@H](CF)C2)c1[N+](=O)[O-] ZINC000331331186 527998764 /nfs/dbraw/zinc/99/87/64/527998764.db2.gz HMZPFUSFUSCSPK-MRVPVSSYSA-N 0 1 300.290 1.252 20 5 DDBDMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000821530517 598068997 /nfs/dbraw/zinc/06/89/97/598068997.db2.gz HBBVQOWEDFHYQX-GFCCVEGCSA-N 0 1 308.290 1.301 20 5 DDBDMN O=C([O-])C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000833249228 600856095 /nfs/dbraw/zinc/85/60/95/600856095.db2.gz MXSAZCMJNWDMID-UHFFFAOYSA-N 0 1 312.297 1.800 20 5 DDBDMN C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739186814 602790644 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DDBDMN C[C@@H](NCC(=O)N1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180442081 697448847 /nfs/dbraw/zinc/44/88/47/697448847.db2.gz DXPITZARENTOPK-NWDGAFQWSA-N 0 1 307.350 1.493 20 5 DDBDMN O=c1cc2c(n[nH]1)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000775777998 698031251 /nfs/dbraw/zinc/03/12/51/698031251.db2.gz STIZPTWHCBAIMG-AWEZNQCLSA-N 0 1 316.317 1.182 20 5 DDBDMN CCOC[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749959911 700195494 /nfs/dbraw/zinc/19/54/94/700195494.db2.gz SEKHETXHGGGZQL-LBPRGKRZSA-N 0 1 319.365 1.964 20 5 DDBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000726774778 699378004 /nfs/dbraw/zinc/37/80/04/699378004.db2.gz NZJXGJMSUMQHLO-UHFFFAOYSA-N 0 1 313.273 1.903 20 5 DDBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000726774778 699378009 /nfs/dbraw/zinc/37/80/09/699378009.db2.gz NZJXGJMSUMQHLO-UHFFFAOYSA-N 0 1 313.273 1.903 20 5 DDBDMN O=C(OCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2[nH]ncc21 ZINC000758131772 700685179 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/nfs/dbraw/zinc/24/81/35/205248135.db2.gz YJBRHTNVBSHOLX-UHFFFAOYSA-N 0 1 320.309 1.065 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000336858941 249266484 /nfs/dbraw/zinc/26/64/84/249266484.db2.gz CYOFCGGTDQOVNZ-SECBINFHSA-N 0 1 306.322 1.425 20 5 DDBDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000288597253 220274486 /nfs/dbraw/zinc/27/44/86/220274486.db2.gz DWVZTYJUKVMUTE-QWRGUYRKSA-N 0 1 307.350 1.287 20 5 DDBDMN Cc1ccc(NC2CCN(CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000269963075 208013807 /nfs/dbraw/zinc/01/38/07/208013807.db2.gz VNGOKXWILJBNQG-UHFFFAOYSA-N 0 1 320.393 1.868 20 5 DDBDMN O=C1CCCCN1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000120279292 195134010 /nfs/dbraw/zinc/13/40/10/195134010.db2.gz NVJURNMZCHIWBT-UHFFFAOYSA-N 0 1 321.381 1.268 20 5 DDBDMN C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352840031 285329790 /nfs/dbraw/zinc/32/97/90/285329790.db2.gz AZRNWIMFMZLKIJ-LLVKDONJSA-N 0 1 323.349 1.141 20 5 DDBDMN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCCN(CCCO)C1 ZINC000294998560 224368631 /nfs/dbraw/zinc/36/86/31/224368631.db2.gz REXBEPDGAPARAB-LLVKDONJSA-N 0 1 314.773 1.902 20 5 DDBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCS(=O)(=O)C2)c1 ZINC000038083255 406999325 /nfs/dbraw/zinc/99/93/25/406999325.db2.gz QAFUYMOVXREHNJ-SECBINFHSA-N 0 1 318.782 1.773 20 5 DDBDMN C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000086468651 407111258 /nfs/dbraw/zinc/11/12/58/407111258.db2.gz JITAZQSPHZCTQY-GHMZBOCLSA-N 0 1 313.379 1.107 20 5 DDBDMN CC(C)CNC(=O)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426879 306694885 /nfs/dbraw/zinc/69/48/85/306694885.db2.gz SHCIRDNRSPZXPR-LLVKDONJSA-N 0 1 322.365 1.727 20 5 DDBDMN COc1ccc(C(=O)NCCCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000063554168 407233412 /nfs/dbraw/zinc/23/34/12/407233412.db2.gz ZMOSHFMMMWPEDD-UHFFFAOYSA-N 0 1 318.333 1.998 20 5 DDBDMN CC(C)(CNCc1ccccc1[N+](=O)[O-])NS(C)(=O)=O ZINC000067005573 407265441 /nfs/dbraw/zinc/26/54/41/407265441.db2.gz LRDJGBNROKXDEX-UHFFFAOYSA-N 0 1 301.368 1.012 20 5 DDBDMN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185802897 407508449 /nfs/dbraw/zinc/50/84/49/407508449.db2.gz JHLOCUNSEWBDMT-QWRGUYRKSA-N 0 1 308.338 1.298 20 5 DDBDMN CCOC(=O)c1ccnc(N[C@H](C)c2nnc[nH]2)c1[N+](=O)[O-] ZINC000271142110 407533602 /nfs/dbraw/zinc/53/36/02/407533602.db2.gz FHZRYEDSRDWLJK-SSDOTTSWSA-N 0 1 306.282 1.458 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000186710287 407751996 /nfs/dbraw/zinc/75/19/96/407751996.db2.gz NQLIWFXVMFZZMB-INIZCTEOSA-N 0 1 314.345 1.923 20 5 DDBDMN CC[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267066801 407736731 /nfs/dbraw/zinc/73/67/31/407736731.db2.gz UUKYQARTQPIDBJ-AWEZNQCLSA-N 0 1 311.357 1.622 20 5 DDBDMN Cc1c(NC(=O)[C@H](C)N(C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000267150789 407768016 /nfs/dbraw/zinc/76/80/16/407768016.db2.gz MMVJBPXZXMBNKS-NSHDSACASA-N 0 1 309.366 1.933 20 5 DDBDMN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000236952203 407786325 /nfs/dbraw/zinc/78/63/25/407786325.db2.gz DALNTWSOMVYUAA-NSHDSACASA-N 0 1 323.349 1.743 20 5 DDBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000236952203 407786331 /nfs/dbraw/zinc/78/63/31/407786331.db2.gz DALNTWSOMVYUAA-NSHDSACASA-N 0 1 323.349 1.743 20 5 DDBDMN Cc1cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2C(N)=O)[nH]n1 ZINC000133521053 407853961 /nfs/dbraw/zinc/85/39/61/407853961.db2.gz UUXSSEZOAHADRI-ZETCQYMHSA-N 0 1 304.310 1.163 20 5 DDBDMN Cc1c(NC(=O)CC[N@H+]2CC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000262655054 407892368 /nfs/dbraw/zinc/89/23/68/407892368.db2.gz MDLCWGOBOVLFOF-NSHDSACASA-N 0 1 321.333 1.638 20 5 DDBDMN CC(C)[C@H]1CN(C)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000154060549 407965978 /nfs/dbraw/zinc/96/59/78/407965978.db2.gz OOHUVZBFGXWWDP-CQSZACIVSA-N 0 1 321.377 1.772 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C(C)C ZINC000188142991 407918583 /nfs/dbraw/zinc/91/85/83/407918583.db2.gz DOTFCWOROZBHBC-UHFFFAOYSA-N 0 1 315.395 1.522 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262786318 407930739 /nfs/dbraw/zinc/93/07/39/407930739.db2.gz QMLARHRTXPHLEL-MNOVXSKESA-N 0 1 313.379 1.274 20 5 DDBDMN C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181884476 408051380 /nfs/dbraw/zinc/05/13/80/408051380.db2.gz RTDRPNFLEMCTTJ-LLVKDONJSA-N 0 1 307.350 1.762 20 5 DDBDMN Cc1cc(N2CCN(CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268390367 408022720 /nfs/dbraw/zinc/02/27/20/408022720.db2.gz MBMIQVVSCQBPDA-UHFFFAOYSA-N 0 1 320.393 1.504 20 5 DDBDMN Cc1cnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000175602145 408173036 /nfs/dbraw/zinc/17/30/36/408173036.db2.gz BCVFCSMDVFBYTN-UHFFFAOYSA-N 0 1 303.321 1.431 20 5 DDBDMN O=C(NCCc1nc2ccccc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000122153935 408258406 /nfs/dbraw/zinc/25/84/06/408258406.db2.gz YZSOEDXQSSXTHD-UHFFFAOYSA-N 0 1 317.330 1.900 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268828836 408212408 /nfs/dbraw/zinc/21/24/08/408212408.db2.gz ZXMPGZLKHFQIDH-LBPRGKRZSA-N 0 1 322.346 1.674 20 5 DDBDMN O=C(NCCOCC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000264460140 408498769 /nfs/dbraw/zinc/49/87/69/408498769.db2.gz KAPIWPNJHXZVFF-UHFFFAOYSA-N 0 1 304.306 1.628 20 5 DDBDMN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274602196 408464918 /nfs/dbraw/zinc/46/49/18/408464918.db2.gz FFPIPECMHSMGQV-LBPRGKRZSA-N 0 1 308.290 1.468 20 5 DDBDMN CO[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251604256 408782454 /nfs/dbraw/zinc/78/24/54/408782454.db2.gz FWNVTPSLKZWTNH-QMTHXVAHSA-N 0 1 307.350 1.551 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCCc1nc[nH]n1 ZINC000280916720 408858188 /nfs/dbraw/zinc/85/81/88/408858188.db2.gz FOGBFDWPGNVDIP-UHFFFAOYSA-N 0 1 320.309 1.476 20 5 DDBDMN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000281999010 408969195 /nfs/dbraw/zinc/96/91/95/408969195.db2.gz UDJBOBYHJDLXBC-SNVBAGLBSA-N 0 1 300.384 1.964 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277833039 409020141 /nfs/dbraw/zinc/02/01/41/409020141.db2.gz IIGRLRWSEGUVDZ-ZDUSSCGKSA-N 0 1 321.381 1.233 20 5 DDBDMN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000287413384 409033856 /nfs/dbraw/zinc/03/38/56/409033856.db2.gz ZOHKURQVQWIZFL-CMPLNLGQSA-N 0 1 320.349 1.394 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000292604012 409037594 /nfs/dbraw/zinc/03/75/94/409037594.db2.gz QOTQSZCMMYSDIM-MFKMUULPSA-N 0 1 320.349 1.800 20 5 DDBDMN Cc1cc([C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)[nH]n1 ZINC000282348015 409038364 /nfs/dbraw/zinc/03/83/64/409038364.db2.gz WKRZZGJSITWKPD-SECBINFHSA-N 0 1 303.326 1.383 20 5 DDBDMN C[C@@H]1COCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000278012802 409051000 /nfs/dbraw/zinc/05/10/00/409051000.db2.gz VYBKQPLHVDEOIF-PSASIEDQSA-N 0 1 318.326 1.437 20 5 DDBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000278039883 409054843 /nfs/dbraw/zinc/05/48/43/409054843.db2.gz ZHPIQYMZDXIKCU-JGVFFNPUSA-N 0 1 321.341 1.451 20 5 DDBDMN C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000296300777 409497586 /nfs/dbraw/zinc/49/75/86/409497586.db2.gz COBSTDSNBQEITK-BETUJISGSA-N 0 1 320.393 1.871 20 5 DDBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000356891008 409690749 /nfs/dbraw/zinc/69/07/49/409690749.db2.gz WCVYAGCNCZKOSW-QWHCGFSZSA-N 0 1 320.393 1.948 20 5 DDBDMN O=C(NC1CC[NH+](C2CCC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000297313255 409905857 /nfs/dbraw/zinc/90/58/57/409905857.db2.gz YRFDMRRIZCOVND-UHFFFAOYSA-N 0 1 320.349 1.442 20 5 DDBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H]1C ZINC000346695007 410088914 /nfs/dbraw/zinc/08/89/14/410088914.db2.gz XRTIGVQTGIDDNE-ZWNOBZJWSA-N 0 1 308.334 1.987 20 5 DDBDMN CN(C)C(=O)NCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000355065542 410280230 /nfs/dbraw/zinc/28/02/30/410280230.db2.gz ZHTFFCWILVQLQO-UHFFFAOYSA-N 0 1 310.354 1.177 20 5 DDBDMN CN(C)Cc1ccnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000357914143 410324187 /nfs/dbraw/zinc/32/41/87/410324187.db2.gz RGAOPMSSXXBUNE-UHFFFAOYSA-N 0 1 304.310 1.037 20 5 DDBDMN C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000298841928 410421606 /nfs/dbraw/zinc/42/16/06/410421606.db2.gz GYVRGHLYIKPBBM-UHFFFAOYSA-N 0 1 308.338 1.300 20 5 DDBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352013315 410411993 /nfs/dbraw/zinc/41/19/93/410411993.db2.gz IPRQUWYDWRMPJD-WDEREUQCSA-N 0 1 309.370 1.041 20 5 DDBDMN CCN1CCN(CC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352189771 410533561 /nfs/dbraw/zinc/53/35/61/410533561.db2.gz JBANOZDZYLGADV-UHFFFAOYSA-N 0 1 310.329 1.310 20 5 DDBDMN COCCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000299213248 410570127 /nfs/dbraw/zinc/57/01/27/410570127.db2.gz HTDYELCWEUDVGJ-UHFFFAOYSA-N 0 1 307.350 1.389 20 5 DDBDMN O=C(NCc1nnc(-c2ccncc2F)s1)[C@@H]1CC1[N+](=O)[O-] ZINC000373714125 418450801 /nfs/dbraw/zinc/45/08/01/418450801.db2.gz SOWZQBGODSRTBE-APPZFPTMSA-N 0 1 323.309 1.021 20 5 DDBDMN C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C[C@@H]21 ZINC000375060783 418597780 /nfs/dbraw/zinc/59/77/80/418597780.db2.gz MJALGPXELLWMGF-GWCFXTLKSA-N 0 1 305.334 1.467 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000361763430 418706814 /nfs/dbraw/zinc/70/68/14/418706814.db2.gz OCROLGBMOMIXCS-LALPHHSUSA-N 0 1 314.345 1.865 20 5 DDBDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000383594536 418733628 /nfs/dbraw/zinc/73/36/28/418733628.db2.gz FOLFVHVQTMKHGU-GFCCVEGCSA-N 0 1 300.336 1.579 20 5 DDBDMN C[C@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000408071342 418785807 /nfs/dbraw/zinc/78/58/07/418785807.db2.gz JVBCXBDCTJSHJD-NSHDSACASA-N 0 1 307.350 1.597 20 5 DDBDMN COCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000364874737 418819398 /nfs/dbraw/zinc/81/93/98/418819398.db2.gz CVIPMONEPOQFQD-RDBSUJKOSA-N 0 1 319.361 1.599 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCC(O)(c2ccccc2Cl)CC1 ZINC000365481447 418867109 /nfs/dbraw/zinc/86/71/09/418867109.db2.gz FMPDCDIRKSFHKQ-GXFFZTMASA-N 0 1 324.764 1.815 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000426899510 419569534 /nfs/dbraw/zinc/56/95/34/419569534.db2.gz UXUFCCGJMVHLSB-NSHDSACASA-N 0 1 307.350 1.770 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nn[nH]n1 ZINC000421775970 419723191 /nfs/dbraw/zinc/72/31/91/419723191.db2.gz RCRQPEOITXDSGH-UHFFFAOYSA-N 0 1 304.310 1.390 20 5 DDBDMN C[N@@H+](CCCC(=O)[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000430661155 420174680 /nfs/dbraw/zinc/17/46/80/420174680.db2.gz PBMXJSDYZBXJMY-ZDUSSCGKSA-N 0 1 321.333 1.497 20 5 DDBDMN CCCNC(=O)CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000432137915 420242750 /nfs/dbraw/zinc/24/27/50/420242750.db2.gz GUXYHWXTJILUKG-UHFFFAOYSA-N 0 1 305.294 1.583 20 5 DDBDMN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416303860 420321972 /nfs/dbraw/zinc/32/19/72/420321972.db2.gz HMXGOVLBYDOHJA-QWHCGFSZSA-N 0 1 321.377 1.051 20 5 DDBDMN Cc1cc(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]n1 ZINC000444633998 230114724 /nfs/dbraw/zinc/11/47/24/230114724.db2.gz FYZJWCGHLPIOKA-UHFFFAOYSA-N 0 1 314.305 1.362 20 5 DDBDMN CC[C@@H]1C[N@@H+](CC)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450832981 420541981 /nfs/dbraw/zinc/54/19/81/420541981.db2.gz SGTVFKXGQMRYSA-SNVBAGLBSA-N 0 1 307.354 1.009 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450832981 420541984 /nfs/dbraw/zinc/54/19/84/420541984.db2.gz SGTVFKXGQMRYSA-SNVBAGLBSA-N 0 1 307.354 1.009 20 5 DDBDMN C[C@@H](NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])c1nnc[nH]1 ZINC000492334608 420527254 /nfs/dbraw/zinc/52/72/54/420527254.db2.gz CAJRLHVKNDUEGL-RYEJSQLPSA-N 0 1 305.269 1.743 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](OC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000452912400 420678844 /nfs/dbraw/zinc/67/88/44/420678844.db2.gz ZZRSMFMAQADBOS-MWLCHTKSSA-N 0 1 310.354 1.767 20 5 DDBDMN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000479757445 420986114 /nfs/dbraw/zinc/98/61/14/420986114.db2.gz RLJZRRYXKGPFHY-LJGSYFOKSA-N 0 1 305.743 1.016 20 5 DDBDMN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000497218005 421389196 /nfs/dbraw/zinc/38/91/96/421389196.db2.gz ACVFRVWUZNGNTG-PSASIEDQSA-N 0 1 309.253 1.386 20 5 DDBDMN Cc1cnc(N2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000563424077 421507733 /nfs/dbraw/zinc/50/77/33/421507733.db2.gz QLJLBPAMQRVKFF-AWEZNQCLSA-N 0 1 320.393 1.989 20 5 DDBDMN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)[N@H+]1CCCC[C@H]1C ZINC000518219672 421646073 /nfs/dbraw/zinc/64/60/73/421646073.db2.gz KWOKYFZKZOMHLP-NEPJUHHUSA-N 0 1 308.382 1.926 20 5 DDBDMN COC(=O)CC1(NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000582065987 422101029 /nfs/dbraw/zinc/10/10/29/422101029.db2.gz LSYVWUHNXTUMJR-UHFFFAOYSA-N 0 1 321.333 1.243 20 5 DDBDMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000575929038 422347585 /nfs/dbraw/zinc/34/75/85/422347585.db2.gz LMWRYOUWJOKLGQ-HNNXBMFYSA-N 0 1 324.333 1.397 20 5 DDBDMN CC(C)(C)OCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000308554783 271012122 /nfs/dbraw/zinc/01/21/22/271012122.db2.gz KNUHRMLIFQHPFT-UHFFFAOYSA-N 0 1 320.342 1.827 20 5 DDBDMN CCN(CCC(=O)OC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000343742253 271851107 /nfs/dbraw/zinc/85/11/07/271851107.db2.gz BUFYBDJIZVIMSL-UHFFFAOYSA-N 0 1 320.305 1.496 20 5 DDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCS(=O)(=O)C1 ZINC000344790482 272119321 /nfs/dbraw/zinc/11/93/21/272119321.db2.gz JDNNYXMECXEMQE-YLBKJLTLSA-N 0 1 310.375 1.775 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000286647998 274004295 /nfs/dbraw/zinc/00/42/95/274004295.db2.gz CDMLWJOGTBUVOX-LLVKDONJSA-N 0 1 318.333 1.227 20 5 DDBDMN C[C@@H](O)CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432150068 274271465 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O=C([C@H]1CC1[N+](=O)[O-])N1CCC(O)(Cc2ccccc2F)CC1 ZINC000368475360 301036283 /nfs/dbraw/zinc/03/62/83/301036283.db2.gz RXEMFAAOQNVLHA-GXTWGEPZSA-N 0 1 322.336 1.387 20 5 DDBDMN O=C1NCCCC[C@@H]1N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012313 301119138 /nfs/dbraw/zinc/11/91/38/301119138.db2.gz UWTKDQWGXVZDII-YPMHNXCESA-N 0 1 307.354 1.097 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000370714877 301382440 /nfs/dbraw/zinc/38/24/40/301382440.db2.gz DHFCZCKIYQMDMQ-NSHDSACASA-N 0 1 308.338 1.521 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000378032231 302267471 /nfs/dbraw/zinc/26/74/71/302267471.db2.gz ZSEKNZMHCLVFJJ-NFAWXSAZSA-N 0 1 301.346 1.315 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000378203175 302292498 /nfs/dbraw/zinc/29/24/98/302292498.db2.gz RQXVKIVJJWPSNM-JTQLQIEISA-N 0 1 300.318 1.914 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O ZINC000158534879 304806616 /nfs/dbraw/zinc/80/66/16/304806616.db2.gz QOIRSGJYUOULSK-MWLCHTKSSA-N 0 1 318.326 1.316 20 5 DDBDMN CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000364916415 307053966 /nfs/dbraw/zinc/05/39/66/307053966.db2.gz NCGDXZIVMGYNQN-CYBMUJFWSA-N 0 1 324.377 1.835 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC2(C1)CCCOC2 ZINC000367489782 307095317 /nfs/dbraw/zinc/09/53/17/307095317.db2.gz LMVRDHWHKGOKTG-CYBMUJFWSA-N 0 1 322.361 1.447 20 5 DDBDMN COCC[N@H+]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000367542112 307096622 /nfs/dbraw/zinc/09/66/22/307096622.db2.gz XLYFEGSZHVATHV-UHFFFAOYSA-N 0 1 323.349 1.095 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](COc2ccccc2)C1 ZINC000369448235 307120291 /nfs/dbraw/zinc/12/02/91/307120291.db2.gz NSTHUOZNFNCKRX-YUELXQCFSA-N 0 1 304.346 1.969 20 5 DDBDMN Cc1noc(C)c1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000552494824 307821997 /nfs/dbraw/zinc/82/19/97/307821997.db2.gz GPJBDZYLCUBVSE-ZDUSSCGKSA-N 0 1 321.333 1.729 20 5 DDBDMN CCC[C@H](C)[C@H](CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000565115932 308021668 /nfs/dbraw/zinc/02/16/68/308021668.db2.gz OQPAQTAINJJUMB-ZANVPECISA-N 0 1 320.349 1.998 20 5 DDBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC(F)(F)C2)cc1 ZINC000566124258 308044757 /nfs/dbraw/zinc/04/47/57/308044757.db2.gz WDUJIEDLUFWGDV-UHFFFAOYSA-N 0 1 320.317 1.756 20 5 DDBDMN COc1cccc([N+](=O)[O-])c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000567961711 308102983 /nfs/dbraw/zinc/10/29/83/308102983.db2.gz LHPQARKEHQEILE-CYBMUJFWSA-N 0 1 321.377 1.762 20 5 DDBDMN Cc1cc(NCCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C)n1 ZINC000570856381 308182987 /nfs/dbraw/zinc/18/29/87/308182987.db2.gz MCINQWBNXIHJQI-UHFFFAOYSA-N 0 1 319.321 1.184 20 5 DDBDMN CCC[N@@H+](C)C[C@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000576588494 308325394 /nfs/dbraw/zinc/32/53/94/308325394.db2.gz SEGOFPHMVOCIKA-LLVKDONJSA-N 0 1 322.365 1.856 20 5 DDBDMN O=C([O-])C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000583883938 337380629 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CC(C)(C)c1nc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])n[nH]1 ZINC000458029590 526844613 /nfs/dbraw/zinc/84/46/13/526844613.db2.gz PCRYFCZJQUHFIZ-UHFFFAOYSA-N 0 1 318.337 1.523 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)c1[N+](=O)[O-] ZINC000332623862 527998735 /nfs/dbraw/zinc/99/87/35/527998735.db2.gz GUWPFQTYRSQGAL-NXEZZACHSA-N 0 1 310.354 1.817 20 5 DDBDMN CCO[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000451546094 528062296 /nfs/dbraw/zinc/06/22/96/528062296.db2.gz RUWREUVSSJMUOK-NHYWBVRUSA-N 0 1 321.377 1.941 20 5 DDBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C(=O)[O-])CC1 ZINC000019774963 596923724 /nfs/dbraw/zinc/92/37/24/596923724.db2.gz PXOJIFRBQXHMFP-UHFFFAOYSA-N 0 1 321.333 1.638 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000738746613 600371773 /nfs/dbraw/zinc/37/17/73/600371773.db2.gz IFPBRTTWBWOIFD-JTQLQIEISA-N 0 1 309.322 1.494 20 5 DDBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000739582808 600421117 /nfs/dbraw/zinc/42/11/17/600421117.db2.gz IBPNYXHKMZPQIG-SNVBAGLBSA-N 0 1 304.306 1.699 20 5 DDBDMN CN(C(=O)[O-])[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000827893661 603919622 /nfs/dbraw/zinc/91/96/22/603919622.db2.gz ALRWAVVMKGHALE-GFCCVEGCSA-N 0 1 319.321 1.586 20 5 DDBDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000827893661 603919624 /nfs/dbraw/zinc/91/96/24/603919624.db2.gz ALRWAVVMKGHALE-GFCCVEGCSA-N 0 1 319.321 1.586 20 5 DDBDMN O=C([O-])NC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000834220971 605817657 /nfs/dbraw/zinc/81/76/57/605817657.db2.gz QDNSWXXQRFSYKW-SMDDNHRTSA-N 0 1 323.349 1.608 20 5 DDBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](OCCO)C2)cc1 ZINC000776585044 698122118 /nfs/dbraw/zinc/12/21/18/698122118.db2.gz RQPJJGMQMHEHPO-GJZGRUSLSA-N 0 1 310.350 1.102 20 5 DDBDMN CN1CCC[C@H](NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778260573 698254754 /nfs/dbraw/zinc/25/47/54/698254754.db2.gz BKJBHQJUPKBTCL-VIFPVBQESA-N 0 1 321.362 1.424 20 5 DDBDMN Cn1ccnc1[C@H](N[C@@H]1CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000780764751 698558310 /nfs/dbraw/zinc/55/83/10/698558310.db2.gz PVXHBMAJFBIZAR-UKRRQHHQSA-N 0 1 315.377 1.711 20 5 DDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1c[nH]nn1 ZINC000750713075 700242005 /nfs/dbraw/zinc/24/20/05/700242005.db2.gz ZEKZFBQHAAHFMM-VIFPVBQESA-N 0 1 322.346 1.979 20 5 DDBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCc1cnn[nH]1 ZINC000750713075 700242011 /nfs/dbraw/zinc/24/20/11/700242011.db2.gz ZEKZFBQHAAHFMM-VIFPVBQESA-N 0 1 322.346 1.979 20 5 DDBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000787117672 699191719 /nfs/dbraw/zinc/19/17/19/699191719.db2.gz PRQFHCWFJJHBPJ-UHFFFAOYSA-N 0 1 316.321 1.315 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2CCO[C@@H](C(F)F)C2)c1[N+](=O)[O-] ZINC000801419257 700305553 /nfs/dbraw/zinc/30/55/53/700305553.db2.gz CAGAWIFJXUYAOX-MRVPVSSYSA-N 0 1 318.280 1.377 20 5 DDBDMN CCc1nc(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)n[nH]1 ZINC000754802510 700528927 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O=C(N[C@@]1(Cc2ccc(Cl)cc2)CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840444804 702110744 /nfs/dbraw/zinc/11/07/44/702110744.db2.gz LCMYTTSLYSFJBP-UMVBOHGHSA-N 0 1 324.764 1.823 20 5 DDBDMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840461514 702117890 /nfs/dbraw/zinc/11/78/90/702117890.db2.gz IWQNCIWMOYICOJ-WRWGMCAJSA-N 0 1 311.382 1.146 20 5 DDBDMN O=[N+]([O-])c1cnccc1NS(=O)(=O)C=Cc1ccc(F)cc1 ZINC000812318147 702145562 /nfs/dbraw/zinc/14/55/62/702145562.db2.gz VZXVLHIMSZZTBK-SOFGYWHQSA-N 0 1 323.305 1.963 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000840672381 702195713 /nfs/dbraw/zinc/19/57/13/702195713.db2.gz KLOFWUKMQYRKFG-UFGOTCBOSA-N 0 1 304.302 1.173 20 5 DDBDMN CCC(C)(C)NC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840673219 702198063 /nfs/dbraw/zinc/19/80/63/702198063.db2.gz UOGBQXVXOCPMHV-GMTAPVOTSA-N 0 1 300.355 1.524 20 5 DDBDMN O=C(Nc1ccnc(OCC(F)(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841168260 702374588 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1.737 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](n2ncc3ccccc32)C1 ZINC000369252365 301150835 /nfs/dbraw/zinc/15/08/35/301150835.db2.gz PSGMDWBZEYWFSL-SCRDCRAPSA-N 0 1 300.318 1.475 20 5 DDBDMN C[C@@H](c1cnccn1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681556 301211807 /nfs/dbraw/zinc/21/18/07/301211807.db2.gz NFDVPRKXKOICIC-NSHDSACASA-N 0 1 302.338 1.979 20 5 DDBDMN Cc1nc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000370531115 301358055 /nfs/dbraw/zinc/35/80/55/301358055.db2.gz LTLVIPTULPZNOD-KBPBESRZSA-N 0 1 306.366 1.334 20 5 DDBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCCN(c2ccccc2F)CC1 ZINC000376435567 302079932 /nfs/dbraw/zinc/07/99/32/302079932.db2.gz OIZGUIYNRLEXDR-SMDDNHRTSA-N 0 1 307.325 1.530 20 5 DDBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2cc(N)ccc2O1 ZINC000377756245 302226480 /nfs/dbraw/zinc/22/64/80/302226480.db2.gz PYWAXNZBVQRAIF-WOPDTQHZSA-N 0 1 305.334 1.652 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1nc[nH]n1 ZINC000378565348 302336178 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CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000565035354 308017470 /nfs/dbraw/zinc/01/74/70/308017470.db2.gz LMSUGMXRFPKFOE-NSHDSACASA-N 0 1 322.365 1.856 20 5 DDBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](N3CCOCC3)C2)c1 ZINC000565174950 308023327 /nfs/dbraw/zinc/02/33/27/308023327.db2.gz UPIYRRWJLWRCIX-INIZCTEOSA-N 0 1 305.378 1.891 20 5 DDBDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000583089779 337239211 /nfs/dbraw/zinc/23/92/11/337239211.db2.gz MZQCHYCBFYALGI-PSASIEDQSA-N 0 1 304.306 1.766 20 5 DDBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCNCC1 ZINC000238150565 527359171 /nfs/dbraw/zinc/35/91/71/527359171.db2.gz NBEZPHCGBCDWQB-UHFFFAOYSA-N 0 1 321.380 1.587 20 5 DDBDMN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000292386971 527900398 /nfs/dbraw/zinc/90/03/98/527900398.db2.gz ZLZULTAGWZBONX-LLVKDONJSA-N 0 1 307.350 1.187 20 5 DDBDMN CCOC[C@@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000458060138 528919004 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HGMHUHFDXUOAHF-JQWIXIFHSA-N 0 1 321.333 1.494 20 5 DDBDMN O=[N+]([O-])c1cc(N2CCN(C3CC3)CC2)ccc1-c1nn[nH]n1 ZINC000826498353 607567632 /nfs/dbraw/zinc/56/76/32/607567632.db2.gz QXZLRRFTDSGCFS-UHFFFAOYSA-N 0 1 315.337 1.059 20 5 DDBDMN COCC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120857596 782190261 /nfs/dbraw/zinc/19/02/61/782190261.db2.gz IFAGFHFLJRHJTC-UHFFFAOYSA-N 0 1 309.370 1.119 20 5 DDBDMN O=C(C=C1CCCCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973077882 695413437 /nfs/dbraw/zinc/41/34/37/695413437.db2.gz YPYUJCFRHCXULJ-AAVRWANBSA-N 0 1 321.377 1.306 20 5 DDBDMN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775032278 697956416 /nfs/dbraw/zinc/95/64/16/697956416.db2.gz GJDKUCVKOVGYKY-NWDGAFQWSA-N 0 1 322.321 1.507 20 5 DDBDMN CN(CCN1CCCC1=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581997 698121068 /nfs/dbraw/zinc/12/10/68/698121068.db2.gz LHMCJNPEEMDIHA-AWEZNQCLSA-N 0 1 307.350 1.182 20 5 DDBDMN COCCO[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245923262 698341019 /nfs/dbraw/zinc/34/10/19/698341019.db2.gz SYZLMZACQIPKTC-JKSUJKDBSA-N 0 1 324.377 1.756 20 5 DDBDMN COCCO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000781961841 698666388 /nfs/dbraw/zinc/66/63/88/698666388.db2.gz JQDUYENKQWAOEK-LSDHHAIUSA-N 0 1 310.350 1.366 20 5 DDBDMN O=C(NCc1nnc[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000732120756 699547334 /nfs/dbraw/zinc/54/73/34/699547334.db2.gz NECJYGWHACUHIL-UHFFFAOYSA-N 0 1 316.321 1.243 20 5 DDBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000791915750 699662356 /nfs/dbraw/zinc/66/23/56/699662356.db2.gz AWCUKZDCEZRPOF-SSDOTTSWSA-N 0 1 318.293 1.113 20 5 DDBDMN CC(=CC(=O)NCCc1nc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000752478743 700366803 /nfs/dbraw/zinc/36/68/03/700366803.db2.gz GIXCQYOEKSGPCD-CSKARUKUSA-N 0 1 301.306 1.475 20 5 DDBDMN O=C(OCc1ccc(-n2ccnc2)nc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000754682186 700519640 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O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2ncc3n2CCCC3)CC1 ZINC000839747879 701808532 /nfs/dbraw/zinc/80/85/32/701808532.db2.gz VERFHRKXJUCBLD-ZIAGYGMSSA-N 0 1 318.377 1.591 20 5 DDBDMN CN(C)C(=O)[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000840178184 702014693 /nfs/dbraw/zinc/01/46/93/702014693.db2.gz MUJIVPDTSUBCLR-LBPRGKRZSA-N 0 1 317.349 1.312 20 5 DDBDMN COc1ccc(CC(=O)O[C@H](C)c2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000840223846 702034905 /nfs/dbraw/zinc/03/49/05/702034905.db2.gz ZXPMYWXATDXVAM-MRVPVSSYSA-N 0 1 320.305 1.877 20 5 DDBDMN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840373490 702087394 /nfs/dbraw/zinc/08/73/94/702087394.db2.gz YNEVJEGNOXLJKC-AAVRWANBSA-N 0 1 324.377 1.622 20 5 DDBDMN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840373495 702087434 /nfs/dbraw/zinc/08/74/34/702087434.db2.gz YNEVJEGNOXLJKC-DGAVXFQQSA-N 0 1 324.377 1.622 20 5 DDBDMN CNc1c(C(=O)O[C@@H](C)c2n[nH]c(C)n2)cccc1[N+](=O)[O-] ZINC000840444945 702110496 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1.500 20 5 DDBDMN CCN(C(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000840673084 702197399 /nfs/dbraw/zinc/19/73/99/702197399.db2.gz YQEAKQREKBGBTR-RAIGVLPGSA-N 0 1 306.318 1.636 20 5 DDBDMN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842799763 702776160 /nfs/dbraw/zinc/77/61/60/702776160.db2.gz UERPDKQIFCJNHY-OCAPTIKFSA-N 0 1 305.743 1.016 20 5 DDBDMN [NH3+]CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000842920507 702791119 /nfs/dbraw/zinc/79/11/19/702791119.db2.gz RVOJPBCVPDTTRR-UHFFFAOYSA-N 0 1 307.397 1.454 20 5 DDBDMN Cc1noc(COC(=O)[C@@H]2CCCc3[nH]ncc32)c1[N+](=O)[O-] ZINC000853904553 704333324 /nfs/dbraw/zinc/33/33/24/704333324.db2.gz RZXYHIOAYKUOBR-MRVPVSSYSA-N 0 1 306.278 1.778 20 5 DDBDMN COCCN1CC[C@H](NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000874444555 705069077 /nfs/dbraw/zinc/06/90/77/705069077.db2.gz WTMKBNORHOWNLG-ZDUSSCGKSA-N 0 1 321.377 1.662 20 5 DDBDMN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@H](C)CCN3)n2)n1C ZINC000823094629 705137760 /nfs/dbraw/zinc/13/77/60/705137760.db2.gz RTGBHTQVGBPBBX-CBAPKCEASA-N 0 1 306.326 1.747 20 5 DDBDMN CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000825835103 705735214 /nfs/dbraw/zinc/73/52/14/705735214.db2.gz BQKFLCBRHGQPDJ-CABCVRRESA-N 0 1 319.361 1.181 20 5 DDBDMN C[N@H+]1CC[C@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000827267588 705964198 /nfs/dbraw/zinc/96/41/98/705964198.db2.gz NRYAKBXMZHIGDT-GWCFXTLKSA-N 0 1 305.334 1.467 20 5 DDBDMN O=C(NC[C@@H]1COCCN1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000877039478 705968801 /nfs/dbraw/zinc/96/88/01/705968801.db2.gz KTSGHQIQRAKKNH-GFCCVEGCSA-N 0 1 315.329 1.466 20 5 DDBDMN C[N@H+]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC[C@@H]21 ZINC000827347943 705982622 /nfs/dbraw/zinc/98/26/22/705982622.db2.gz YVSCKNRWOFVKBR-RYUDHWBXSA-N 0 1 305.334 1.467 20 5 DDBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1C ZINC000827491049 706012971 /nfs/dbraw/zinc/01/29/71/706012971.db2.gz KSFJENDBGBOORI-CQSZACIVSA-N 0 1 306.366 1.589 20 5 DDBDMN CC(C)N1CCO[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835298522 707216862 /nfs/dbraw/zinc/21/68/62/707216862.db2.gz VUKQEINRPZLLRJ-LBPRGKRZSA-N 0 1 302.371 1.474 20 5 DDBDMN COC(=O)CC[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877817797 706223837 /nfs/dbraw/zinc/22/38/37/706223837.db2.gz AHNDVMZMKSNQHY-LLVKDONJSA-N 0 1 310.354 1.494 20 5 DDBDMN CC1=CCN(CCNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000829328398 706319933 /nfs/dbraw/zinc/31/99/33/706319933.db2.gz VALNMTDPNIBQGK-HNNXBMFYSA-N 0 1 319.361 1.396 20 5 DDBDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000829621910 706368386 /nfs/dbraw/zinc/36/83/86/706368386.db2.gz CMPVOPIENZZLQQ-GFCCVEGCSA-N 0 1 315.414 1.126 20 5 DDBDMN COCC1(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000880188327 706905633 /nfs/dbraw/zinc/90/56/33/706905633.db2.gz ZRRIDAPKMZSRCO-UHFFFAOYSA-N 0 1 307.350 1.695 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCOC[C@H]1OC ZINC000880436985 706975892 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CCN1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000882959995 707873658 /nfs/dbraw/zinc/87/36/58/707873658.db2.gz WHYPWGYSSIIWOZ-SNVBAGLBSA-N 0 1 319.365 1.291 20 5 DDBDMN CNC(=O)CC[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886204767 708714197 /nfs/dbraw/zinc/71/41/97/708714197.db2.gz PXFXQDOGCLSVPZ-CYBMUJFWSA-N 0 1 306.366 1.871 20 5 DDBDMN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(N2CCCC2)C1 ZINC000898614358 708813130 /nfs/dbraw/zinc/81/31/30/708813130.db2.gz PZTYSSPYHYSSFE-UHFFFAOYSA-N 0 1 315.333 1.391 20 5 DDBDMN Nc1c(Cl)cc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1[N+](=O)[O-] ZINC000912901677 713118045 /nfs/dbraw/zinc/11/80/45/713118045.db2.gz BNYLZAHZQRLHFK-SNVBAGLBSA-N 0 1 324.768 1.751 20 5 DDBDMN CN(CC(C)(C)C[NH+](C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000890882176 710020135 /nfs/dbraw/zinc/02/01/35/710020135.db2.gz IXBSPSVPMIWMCX-UHFFFAOYSA-N 0 1 310.354 1.355 20 5 DDBDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000901543666 710071234 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Cc1n[nH]c(C(=O)N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573171 712810858 /nfs/dbraw/zinc/81/08/58/712810858.db2.gz IKJUJDYLUOTIAH-UHFFFAOYSA-N 0 1 321.381 1.717 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCN(C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000908573171 712810860 /nfs/dbraw/zinc/81/08/60/712810860.db2.gz IKJUJDYLUOTIAH-UHFFFAOYSA-N 0 1 321.381 1.717 20 5 DDBDMN Cc1c(CNCC(=O)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000917135133 713484110 /nfs/dbraw/zinc/48/41/10/713484110.db2.gz GAPCPRDXSWBDOA-UHFFFAOYSA-N 0 1 303.318 1.902 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCn3cccc3C2)c1[N+](=O)[O-] ZINC000928964032 713518851 /nfs/dbraw/zinc/51/88/51/713518851.db2.gz UWCNXNJEYOPWRY-UHFFFAOYSA-N 0 1 303.322 1.899 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCN1C ZINC000931261543 714050808 /nfs/dbraw/zinc/05/08/08/714050808.db2.gz BBMUBXWZNBGAGJ-NSHDSACASA-N 0 1 308.338 1.819 20 5 DDBDMN CN(C(=O)CN1[C@@H]2CC[C@H]1CN(C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000931393302 714082891 /nfs/dbraw/zinc/08/28/91/714082891.db2.gz 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DDBDMN C[S@](=O)C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000183070332 408320509 /nfs/dbraw/zinc/32/05/09/408320509.db2.gz YWCSDEPRPOBRGM-PEBXRYMYSA-N 0 1 322.390 1.501 20 5 DDBDMN O=C(NCc1cnn(-c2ccccc2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000159445699 408408091 /nfs/dbraw/zinc/40/80/91/408408091.db2.gz DGFCLTHUWXZVBG-UHFFFAOYSA-N 0 1 312.289 1.434 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247212956 408430317 /nfs/dbraw/zinc/43/03/17/408430317.db2.gz PYQOCSXXNYEPFO-STQMWFEESA-N 0 1 323.393 1.490 20 5 DDBDMN COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247212956 408430320 /nfs/dbraw/zinc/43/03/20/408430320.db2.gz PYQOCSXXNYEPFO-STQMWFEESA-N 0 1 323.393 1.490 20 5 DDBDMN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)s1)c1nn[nH]n1 ZINC000176761433 408435504 /nfs/dbraw/zinc/43/55/04/408435504.db2.gz XARJMTGSCHLHAO-SSDOTTSWSA-N 0 1 310.339 1.749 20 5 DDBDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264410916 408479233 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DDBDMN Cc1cccc2c1OC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C2 ZINC000292094461 408979897 /nfs/dbraw/zinc/97/98/97/408979897.db2.gz YORFKCXNJRGFQF-SNVBAGLBSA-N 0 1 302.290 1.360 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)n1 ZINC000277721538 408999275 /nfs/dbraw/zinc/99/92/75/408999275.db2.gz JFNYJKUPLUQVRD-GXSJLCMTSA-N 0 1 322.287 1.427 20 5 DDBDMN CCc1[nH]nc(C(=O)N([C@@H](C)C(=O)OC)C2CCC2)c1[N+](=O)[O-] ZINC000277874022 409027171 /nfs/dbraw/zinc/02/71/71/409027171.db2.gz DCHDDLBXIZGBMT-QMMMGPOBSA-N 0 1 324.337 1.437 20 5 DDBDMN CCc1[nH]nc(C(=O)N(CC2CCOCC2)OC)c1[N+](=O)[O-] ZINC000282402761 409048715 /nfs/dbraw/zinc/04/87/15/409048715.db2.gz HYEXSLPNLCOSRA-UHFFFAOYSA-N 0 1 312.326 1.311 20 5 DDBDMN C[C@H]1COCC[C@@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000278012817 409050658 /nfs/dbraw/zinc/05/06/58/409050658.db2.gz VYBKQPLHVDEOIF-WPRPVWTQSA-N 0 1 318.326 1.437 20 5 DDBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)C1 ZINC000294006262 409224705 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/nfs/dbraw/zinc/25/80/63/307258063.db2.gz ARJYUNVOBCMAKM-FMPXUHTOSA-N 0 1 308.309 1.043 20 5 DDBDMN O=C([O-])c1cc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000518777277 307445631 /nfs/dbraw/zinc/44/56/31/307445631.db2.gz YXTUKTHKXCAPSQ-JTQLQIEISA-N 0 1 302.290 1.916 20 5 DDBDMN Cc1ncc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000567696810 308091676 /nfs/dbraw/zinc/09/16/76/308091676.db2.gz IQBVAYDHDMBZGD-GFCCVEGCSA-N 0 1 307.306 1.421 20 5 DDBDMN CO[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000569868471 308152042 /nfs/dbraw/zinc/15/20/42/308152042.db2.gz DXPCQFNTZLNJOC-YPMHNXCESA-N 0 1 324.333 1.538 20 5 DDBDMN CC[N@@H+](C)C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000574279824 308266419 /nfs/dbraw/zinc/26/64/19/308266419.db2.gz AOZJHXPFDXPSRL-JTQLQIEISA-N 0 1 308.338 1.466 20 5 DDBDMN O=C([O-])Cc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000576994480 308355016 /nfs/dbraw/zinc/35/50/16/308355016.db2.gz PQEVKLUKKBXWMA-LLVKDONJSA-N 0 1 316.317 1.845 20 5 DDBDMN C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577495044 308392385 /nfs/dbraw/zinc/39/23/85/308392385.db2.gz KEVAHDDLPGCHMC-VIFPVBQESA-N 0 1 313.741 1.778 20 5 DDBDMN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](C)O ZINC000386865493 325762491 /nfs/dbraw/zinc/76/24/91/325762491.db2.gz KAHICNIYVMERFE-VXNVDRBHSA-N 0 1 306.315 1.172 20 5 DDBDMN COC(=O)CC1(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000582968420 337223933 /nfs/dbraw/zinc/22/39/33/337223933.db2.gz QPOSIPMKLOFSLU-UHFFFAOYSA-N 0 1 321.333 1.527 20 5 DDBDMN O=C(NCc1c[nH]nn1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683555725 486048632 /nfs/dbraw/zinc/04/86/32/486048632.db2.gz OYVIPBJYVAQJND-UHFFFAOYSA-N 0 1 319.324 1.729 20 5 DDBDMN C[C@@H](O)[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419816633 533790893 /nfs/dbraw/zinc/79/08/93/533790893.db2.gz QRNLTYFNEBJWKX-QMTHXVAHSA-N 0 1 306.318 1.686 20 5 DDBDMN C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+](C)C ZINC000292653091 534121802 /nfs/dbraw/zinc/12/18/02/534121802.db2.gz OCASJACFFDMPKQ-SECBINFHSA-N 0 1 319.358 1.210 20 5 DDBDMN COC(=O)c1ccc(O)c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000436506667 534231673 /nfs/dbraw/zinc/23/16/73/534231673.db2.gz UDUIEFIPTCTMQV-UHFFFAOYSA-N 0 1 320.261 1.371 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)C=Cc2ccccc2[N+](=O)[O-])n1 ZINC000491548263 534331736 /nfs/dbraw/zinc/33/17/36/534331736.db2.gz ROAIDTZOTMSENM-SREVYHEPSA-N 0 1 301.306 1.393 20 5 DDBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCOC1 ZINC000299430705 534886374 /nfs/dbraw/zinc/88/63/74/534886374.db2.gz UYXQTHILHAODEF-QMMMGPOBSA-N 0 1 304.299 1.049 20 5 DDBDMN CC(C)(C)c1nc(CNc2cccc(C(N)=O)c2[N+](=O)[O-])n[nH]1 ZINC000413418330 526847787 /nfs/dbraw/zinc/84/77/87/526847787.db2.gz QYLZTTMFEYBQFL-UHFFFAOYSA-N 0 1 318.337 1.721 20 5 DDBDMN CC(=O)c1ccc2c(c1)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C2 ZINC000412529985 527345885 /nfs/dbraw/zinc/34/58/85/527345885.db2.gz BFIHYBQVZOLGDT-UHFFFAOYSA-N 0 1 314.301 1.985 20 5 DDBDMN CCN(C)C(=O)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000295606625 527759953 /nfs/dbraw/zinc/75/99/53/527759953.db2.gz LXBDSYVYQLLXJG-ZDUSSCGKSA-N 0 1 323.349 1.533 20 5 DDBDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000451593667 527824996 /nfs/dbraw/zinc/82/49/96/527824996.db2.gz SZOXCNGBDWNGMU-MNOVXSKESA-N 0 1 310.354 1.540 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833016959 601813554 /nfs/dbraw/zinc/81/35/54/601813554.db2.gz OZZXIMKVNLJLRP-UFBFGSQYSA-N 0 1 319.321 1.258 20 5 DDBDMN C[C@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828463859 601816605 /nfs/dbraw/zinc/81/66/05/601816605.db2.gz RPKKZZXHXNKNCX-WCBMZHEXSA-N 0 1 321.289 1.113 20 5 DDBDMN C[C@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828463859 601816606 /nfs/dbraw/zinc/81/66/06/601816606.db2.gz RPKKZZXHXNKNCX-WCBMZHEXSA-N 0 1 321.289 1.113 20 5 DDBDMN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCC(=O)[O-] ZINC000833620616 605256868 /nfs/dbraw/zinc/25/68/68/605256868.db2.gz HFNDCLRVJSNMKB-NSHDSACASA-N 0 1 321.333 1.216 20 5 DDBDMN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCC(=O)[O-] ZINC000833620616 605256869 /nfs/dbraw/zinc/25/68/69/605256869.db2.gz HFNDCLRVJSNMKB-NSHDSACASA-N 0 1 321.333 1.216 20 5 DDBDMN Cc1nn(C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000833920740 605751051 /nfs/dbraw/zinc/75/10/51/605751051.db2.gz BSFNNECSJKQOHP-UHFFFAOYSA-N 0 1 323.353 1.664 20 5 DDBDMN Cc1nn(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000833920740 605751057 /nfs/dbraw/zinc/75/10/57/605751057.db2.gz BSFNNECSJKQOHP-UHFFFAOYSA-N 0 1 323.353 1.664 20 5 DDBDMN Cc1nn(C[N@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000833921923 605957685 /nfs/dbraw/zinc/95/76/85/605957685.db2.gz MNWGNUNKZZUKNI-KWQFWETISA-N 0 1 311.342 1.344 20 5 DDBDMN Cc1nn(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000833921923 605957688 /nfs/dbraw/zinc/95/76/88/605957688.db2.gz MNWGNUNKZZUKNI-KWQFWETISA-N 0 1 311.342 1.344 20 5 DDBDMN O=C(CCN1CCC2(C1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000160708426 697319354 /nfs/dbraw/zinc/31/93/54/697319354.db2.gz CGOMLCSZJLWEPF-UHFFFAOYSA-N 0 1 321.333 1.372 20 5 DDBDMN O=C(N[C@@H](CCO)Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000799814973 700169869 /nfs/dbraw/zinc/16/98/69/700169869.db2.gz SGEQOAIPCZXACV-NSHDSACASA-N 0 1 304.306 1.041 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC(n3cccn3)CC2)c1[N+](=O)[O-] ZINC000749733669 700180846 /nfs/dbraw/zinc/18/08/46/700180846.db2.gz XDHMTCDCTKEWDN-UHFFFAOYSA-N 0 1 304.310 1.300 20 5 DDBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCC(c2nc[nH]n2)CC1 ZINC000795107303 699845838 /nfs/dbraw/zinc/84/58/38/699845838.db2.gz PUFALFXGQHAEMB-UHFFFAOYSA-N 0 1 305.342 1.622 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(CC2)OCCO3)c1[N+](=O)[O-] ZINC000771249351 701314713 /nfs/dbraw/zinc/31/47/13/701314713.db2.gz GQCDFBHIEMJAAK-UHFFFAOYSA-N 0 1 324.337 1.420 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000839540648 701730073 /nfs/dbraw/zinc/73/00/73/701730073.db2.gz MDXOFIQHRHTPPU-RLCGTCKNSA-N 0 1 303.318 1.414 20 5 DDBDMN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839577767 701742481 /nfs/dbraw/zinc/74/24/81/701742481.db2.gz VYYQJRKFCJCWJD-YJNKXOJESA-N 0 1 304.346 1.936 20 5 DDBDMN Cn1c(CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc2ccccc21 ZINC000839682617 701782623 /nfs/dbraw/zinc/78/26/23/701782623.db2.gz GENUOYYCMXFFQF-ZWNOBZJWSA-N 0 1 302.334 1.287 20 5 DDBDMN Cc1nn(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000840118322 701978041 /nfs/dbraw/zinc/97/80/41/701978041.db2.gz DBDZOADAHRXHMU-MGPQQGTHSA-N 0 1 308.382 1.991 20 5 DDBDMN CN(C)C(=O)[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000840181061 702015387 /nfs/dbraw/zinc/01/53/87/702015387.db2.gz YXKRUDQWYGQPTG-NSHDSACASA-N 0 1 317.349 1.312 20 5 DDBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H](CO)CC1)OCCO2 ZINC000816666500 702138152 /nfs/dbraw/zinc/13/81/52/702138152.db2.gz OMAUQFOCQZYDLT-GFCCVEGCSA-N 0 1 322.361 1.960 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)c1[N+](=O)[O-] ZINC000816724775 702164290 /nfs/dbraw/zinc/16/42/90/702164290.db2.gz ADUBKSHQAASQTG-MRVPVSSYSA-N 0 1 324.337 1.607 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000840672131 702195816 /nfs/dbraw/zinc/19/58/16/702195816.db2.gz DHILGYDLQSCDHB-WHGOUJPWSA-N 0 1 323.261 1.130 20 5 DDBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000840672955 702196684 /nfs/dbraw/zinc/19/66/84/702196684.db2.gz PLRHMAYCHZFQKE-LOWDOPEQSA-N 0 1 312.366 1.620 20 5 DDBDMN COC(=O)c1cccc(OCCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673217 702197850 /nfs/dbraw/zinc/19/78/50/702197850.db2.gz UKMITGQZZXESPY-VXGBXAGGSA-N 0 1 309.274 1.060 20 5 DDBDMN COCCNC(=O)C1(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000840824893 702251394 /nfs/dbraw/zinc/25/13/94/702251394.db2.gz RLNCLPCDRAFSBQ-JTQLQIEISA-N 0 1 322.365 1.123 20 5 DDBDMN O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CC1[N+](=O)[O-] ZINC000842323024 702703471 /nfs/dbraw/zinc/70/34/71/702703471.db2.gz PTEKJXJBCXXENG-YTWAJWBKSA-N 0 1 324.293 1.483 20 5 DDBDMN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842878352 702786214 /nfs/dbraw/zinc/78/62/14/702786214.db2.gz MJAGODQSQPFBBH-QMMMGPOBSA-N 0 1 321.786 1.654 20 5 DDBDMN CC(C)(C)OC(=O)c1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000871053041 704208628 /nfs/dbraw/zinc/20/86/28/704208628.db2.gz VFDWXGZOLNHMEY-CHWSQXEVSA-N 0 1 320.345 1.923 20 5 DDBDMN Cc1nn(CN2CCC3(COC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000853597409 704281930 /nfs/dbraw/zinc/28/19/30/704281930.db2.gz JBDMQVFGSZOAEM-UHFFFAOYSA-N 0 1 302.334 1.933 20 5 DDBDMN Nc1ccc(NC(=O)[C@H]2CCCc3n[nH]nc32)cc1[N+](=O)[O-] ZINC000854495031 704407510 /nfs/dbraw/zinc/40/75/10/704407510.db2.gz JVRNFVSNLYYACL-QMMMGPOBSA-N 0 1 302.294 1.354 20 5 DDBDMN Cc1nnc(SCCC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000854496174 704407814 /nfs/dbraw/zinc/40/78/14/704407814.db2.gz AWHABQFCBILIEX-UHFFFAOYSA-N 0 1 322.350 1.724 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000854987393 704465269 /nfs/dbraw/zinc/46/52/69/704465269.db2.gz PYSAJFHSEUYJSE-MRVPVSSYSA-N 0 1 321.724 1.996 20 5 DDBDMN C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000874829594 705188311 /nfs/dbraw/zinc/18/83/11/705188311.db2.gz MPNFDKCGXGVBQX-KBPBESRZSA-N 0 1 305.334 1.609 20 5 DDBDMN O=C(OC[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000861234243 705404462 /nfs/dbraw/zinc/40/44/62/705404462.db2.gz QKLNNVFGTOEPED-CYZMBNFOSA-N 0 1 310.350 1.376 20 5 DDBDMN O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861718169 705549830 /nfs/dbraw/zinc/54/98/30/705549830.db2.gz WMWSWAOTWQTABW-RYUDHWBXSA-N 0 1 323.324 1.015 20 5 DDBDMN O=[N+]([O-])c1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c2nonc21 ZINC000829010146 706272871 /nfs/dbraw/zinc/27/28/71/706272871.db2.gz HSAIYDRKLWKCRO-AOOOYVTPSA-N 0 1 319.321 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DDBDMN COc1ccccc1N1CCC[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000371740799 418813252 /nfs/dbraw/zinc/81/32/52/418813252.db2.gz VVXYRXLXKAYANL-SGMGOOAPSA-N 0 1 319.361 1.445 20 5 DDBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000364867952 418818289 /nfs/dbraw/zinc/81/82/89/418818289.db2.gz CDJCDNHZCVZKBQ-NWDGAFQWSA-N 0 1 301.306 1.175 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000372313847 418854657 /nfs/dbraw/zinc/85/46/57/418854657.db2.gz UEBITNZVNNGDEU-GMTAPVOTSA-N 0 1 305.338 1.053 20 5 DDBDMN O=C(NCc1noc(-c2cccc(F)c2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000365566555 418876533 /nfs/dbraw/zinc/87/65/33/418876533.db2.gz SGDUZOAMLAUKFL-NXEZZACHSA-N 0 1 306.253 1.157 20 5 DDBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420933229 419365410 /nfs/dbraw/zinc/36/54/10/419365410.db2.gz FYGHRIPISSZYKS-FRRDWIJNSA-N 0 1 321.377 1.872 20 5 DDBDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412079909 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DDBDMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C[C@@H]1C ZINC000456006773 421088104 /nfs/dbraw/zinc/08/81/04/421088104.db2.gz CCMFUHDDPZHRBU-WDEREUQCSA-N 0 1 321.381 1.586 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000456340120 421143957 /nfs/dbraw/zinc/14/39/57/421143957.db2.gz VOPMNDHLRFBVLB-JTNHKYCSSA-N 0 1 320.345 1.924 20 5 DDBDMN C[C@]1(CO)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000546809471 421311688 /nfs/dbraw/zinc/31/16/88/421311688.db2.gz QRSHPSPOOGWVDJ-MRXNPFEDSA-N 0 1 319.361 1.331 20 5 DDBDMN CCN1C[C@@H](C)N(C(=O)c2c([N+](=O)[O-])c(C)nn2C)[C@@H](C)C1 ZINC000561810878 421335890 /nfs/dbraw/zinc/33/58/90/421335890.db2.gz MXYJRYNLZLEFMR-AOOOYVTPSA-N 0 1 309.370 1.191 20 5 DDBDMN CC(C)(C)OC(=O)N1CC(COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000497023471 421352490 /nfs/dbraw/zinc/35/24/90/421352490.db2.gz UGYJRYGBAHVOGS-NXEZZACHSA-N 0 1 300.311 1.062 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(CC(C)(C)O)C[C@@H]2C)n1 ZINC000548036722 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20 5 DDBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3c[nH]nc3[N+](=O)[O-])c2C)o1 ZINC000554894436 421665088 /nfs/dbraw/zinc/66/50/88/421665088.db2.gz UJVMBUPIBLOBOB-UHFFFAOYSA-N 0 1 316.277 2.170 20 5 DDBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(n2ccnn2)CC1 ZINC000542811723 421830593 /nfs/dbraw/zinc/83/05/93/421830593.db2.gz DRFUGUSRGKCYCA-UHFFFAOYSA-N 0 1 317.305 1.369 20 5 DDBDMN CCC[N@H+]1CC[C@H](CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000573375033 421955963 /nfs/dbraw/zinc/95/59/63/421955963.db2.gz KPULXEXAZCLQSE-LLVKDONJSA-N 0 1 322.365 2.140 20 5 DDBDMN CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)C1 ZINC000573978739 422043190 /nfs/dbraw/zinc/04/31/90/422043190.db2.gz CEPRNOHFLLFDJB-PHIMTYICSA-N 0 1 307.350 1.855 20 5 DDBDMN CC[N@@H+](C)C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000573613594 421988441 /nfs/dbraw/zinc/98/84/41/421988441.db2.gz DZJBWLBDUABLIH-JTQLQIEISA-N 0 1 308.338 1.466 20 5 DDBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 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COc1ccccc1N1CCC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000371740797 418813482 /nfs/dbraw/zinc/81/34/82/418813482.db2.gz VVXYRXLXKAYANL-OUCADQQQSA-N 0 1 319.361 1.445 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCCO[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000373056418 418925025 /nfs/dbraw/zinc/92/50/25/418925025.db2.gz HNQWKODDZFRKNF-GHMZBOCLSA-N 0 1 308.338 1.664 20 5 DDBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)CCOCC2CC2)cc1 ZINC000424213184 228246726 /nfs/dbraw/zinc/24/67/26/228246726.db2.gz SOJNRJKPASDHHV-UHFFFAOYSA-N 0 1 300.336 1.763 20 5 DDBDMN O=C(CCN(C1CC1)C1COC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411775928 419405481 /nfs/dbraw/zinc/40/54/81/419405481.db2.gz ZCXJGSJOJLHOGE-UHFFFAOYSA-N 0 1 305.334 1.787 20 5 DDBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@]23CCOC3)c1 ZINC000421041762 419465935 /nfs/dbraw/zinc/46/59/35/419465935.db2.gz YPJDGCDNRPXWOY-UKRRQHHQSA-N 0 1 308.334 1.199 20 5 DDBDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000412150762 419696706 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CNC(=O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449598230 421034896 /nfs/dbraw/zinc/03/48/96/421034896.db2.gz BHYABKCHYJIIOX-QMMMGPOBSA-N 0 1 317.292 1.810 20 5 DDBDMN C[C@H]1[C@H](CO)CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000488717124 421107380 /nfs/dbraw/zinc/10/73/80/421107380.db2.gz KGBTXMSTHOJIKE-JQWIXIFHSA-N 0 1 318.333 1.848 20 5 DDBDMN C[C@@H]1[C@@H](CO)CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000488725761 421108281 /nfs/dbraw/zinc/10/82/81/421108281.db2.gz BDKBKHIBIKDFHE-VXGBXAGGSA-N 0 1 307.350 1.260 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000456343861 421144787 /nfs/dbraw/zinc/14/47/87/421144787.db2.gz GTTOMRXRMQFSBP-CYBMUJFWSA-N 0 1 321.377 1.916 20 5 DDBDMN CC[C@H]1C[N@H+](CC)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456379835 421155378 /nfs/dbraw/zinc/15/53/78/421155378.db2.gz NISFKJVQZWTSBB-NSHDSACASA-N 0 1 308.338 1.252 20 5 DDBDMN CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456379835 421155379 /nfs/dbraw/zinc/15/53/79/421155379.db2.gz NISFKJVQZWTSBB-NSHDSACASA-N 0 1 308.338 1.252 20 5 DDBDMN CC[C@H]1CN(CC)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000456379835 421155383 /nfs/dbraw/zinc/15/53/83/421155383.db2.gz NISFKJVQZWTSBB-NSHDSACASA-N 0 1 308.338 1.252 20 5 DDBDMN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000496479663 421261378 /nfs/dbraw/zinc/26/13/78/421261378.db2.gz IHPLDHUPCLKUJC-HBNTYKKESA-N 0 1 313.354 1.167 20 5 DDBDMN COc1ccc(CNc2ccncc2C(N)=O)cc1[N+](=O)[O-] ZINC000545865536 421268008 /nfs/dbraw/zinc/26/80/08/421268008.db2.gz LSLLCYGGZISLFV-UHFFFAOYSA-N 0 1 302.290 1.131 20 5 DDBDMN O=C(NCc1ccncc1C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000547739891 421362269 /nfs/dbraw/zinc/36/22/69/421362269.db2.gz SVQKZFHTGRTUCN-UHFFFAOYSA-N 0 1 315.211 1.662 20 5 DDBDMN CN1CC[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000548955260 421487899 /nfs/dbraw/zinc/48/78/99/421487899.db2.gz ZACBQHAHPAFBLT-CHWSQXEVSA-N 0 1 315.333 1.493 20 5 DDBDMN CC(C)[N@H+](CC(=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516932110 421580281 /nfs/dbraw/zinc/58/02/81/421580281.db2.gz BNDXYEMPWNDQBT-NSHDSACASA-N 0 1 312.322 1.130 20 5 DDBDMN C[C@H](CN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000559391854 421834340 /nfs/dbraw/zinc/83/43/40/421834340.db2.gz RYKKVXOYCXLPJB-NXEZZACHSA-N 0 1 318.337 1.474 20 5 DDBDMN O=[N+]([O-])c1cnccc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000543445949 421837980 /nfs/dbraw/zinc/83/79/80/421837980.db2.gz NMWAZEZEERLJEH-UHFFFAOYSA-N 0 1 311.294 1.493 20 5 DDBDMN O=[N+]([O-])c1ccc2ncnc(NCc3n[nH]c(C4CC4)n3)c2c1 ZINC000590709683 422322275 /nfs/dbraw/zinc/32/22/75/422322275.db2.gz KXNVXLHGZKAZCW-UHFFFAOYSA-N 0 1 311.305 2.146 20 5 DDBDMN O=C(NCc1n[nH]c(C2CC2)n1)NCc1cccc([N+](=O)[O-])c1 ZINC000578319999 422546014 /nfs/dbraw/zinc/54/60/14/422546014.db2.gz MGJLJCWTUKKMRD-UHFFFAOYSA-N 0 1 316.321 1.590 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)Cc1cnc[nH]1 ZINC000579006805 422690078 /nfs/dbraw/zinc/69/00/78/422690078.db2.gz RVVPDLLBHUMZFN-UHFFFAOYSA-N 0 1 310.335 1.447 20 5 DDBDMN CCOCCNC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828199 263370502 /nfs/dbraw/zinc/37/05/02/263370502.db2.gz JHEIAXCQGYTXCT-GFCCVEGCSA-N 0 1 309.366 1.707 20 5 DDBDMN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000345308425 272215411 /nfs/dbraw/zinc/21/54/11/272215411.db2.gz WZBOILMMRLHXGD-VHSXEESVSA-N 0 1 309.370 1.654 20 5 DDBDMN CN1CCO[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000153110538 277131407 /nfs/dbraw/zinc/13/14/07/277131407.db2.gz LTIMTAYWLLBBPA-GJZGRUSLSA-N 0 1 314.345 1.662 20 5 DDBDMN CNC(=O)CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000170917241 277226154 /nfs/dbraw/zinc/22/61/54/277226154.db2.gz PCGKOUURVOSUAA-UHFFFAOYSA-N 0 1 309.366 1.950 20 5 DDBDMN CO[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000125755967 281215005 /nfs/dbraw/zinc/21/50/05/281215005.db2.gz FVJMNEBQXWEMSZ-NSHDSACASA-N 0 1 308.269 1.575 20 5 DDBDMN CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000363298220 300247156 /nfs/dbraw/zinc/24/71/56/300247156.db2.gz FFUJPEKLYVXPCZ-KBPBESRZSA-N 0 1 323.393 1.149 20 5 DDBDMN Nc1ccc([N+](=O)[O-])c(N2CCN([C@H]3CCSC3)CC2)c1 ZINC000367169030 300808890 /nfs/dbraw/zinc/80/88/90/300808890.db2.gz AFRSMMHXMWFUIV-LBPRGKRZSA-N 0 1 308.407 1.805 20 5 DDBDMN CC(=O)N1CCSc2ccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000368776976 301088491 /nfs/dbraw/zinc/08/84/91/301088491.db2.gz JEUPCOPRGKTDTE-WDEREUQCSA-N 0 1 321.358 1.749 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](O)C[C@@H]3CO)o2)c1 ZINC000370385923 301328145 /nfs/dbraw/zinc/32/81/45/301328145.db2.gz HLDKAWJFYPQMRQ-KGLIPLIRSA-N 0 1 318.329 1.782 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000377656816 302205625 /nfs/dbraw/zinc/20/56/25/302205625.db2.gz OSPIAWPNAVHTCF-LLVKDONJSA-N 0 1 321.381 1.581 20 5 DDBDMN Cc1cc(N2CC[C@@H](O)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000396825622 302350051 /nfs/dbraw/zinc/35/00/51/302350051.db2.gz BOZBDUUJFOXXOP-BDJLRTHQSA-N 0 1 317.345 1.631 20 5 DDBDMN COc1ccc(CC(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000536608799 303365534 /nfs/dbraw/zinc/36/55/34/303365534.db2.gz RRAFJVGRAVLPBN-NEPJUHHUSA-N 0 1 321.377 1.697 20 5 DDBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3ccncn3)C2)n1 ZINC000363428955 307027829 /nfs/dbraw/zinc/02/78/29/307027829.db2.gz FNFJTZQLRHZKIQ-LBPRGKRZSA-N 0 1 302.338 1.461 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CCC3(CCOCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000363957251 307038616 /nfs/dbraw/zinc/03/86/16/307038616.db2.gz BXBCQAOGQYDVTG-SNVBAGLBSA-N 0 1 322.365 1.912 20 5 DDBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC2(C1)CCCOC2 ZINC000367489783 307095330 /nfs/dbraw/zinc/09/53/30/307095330.db2.gz LMVRDHWHKGOKTG-ZDUSSCGKSA-N 0 1 322.361 1.447 20 5 DDBDMN Cc1nnc([C@@H]2CC23CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC3)o1 ZINC000370861835 307138573 /nfs/dbraw/zinc/13/85/73/307138573.db2.gz YKZBLKKIUJQDHT-DCAQKATOSA-N 0 1 306.322 1.139 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C2CC2)CC1 ZINC000372894233 307175711 /nfs/dbraw/zinc/17/57/11/307175711.db2.gz YCCJGENSGILAKK-UHFFFAOYSA-N 0 1 319.361 1.914 20 5 DDBDMN O=C(NC1CCC(O)(c2ccccc2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000373391815 307187131 /nfs/dbraw/zinc/18/71/31/307187131.db2.gz JYPMJXXGLBCMBD-IOSBVQAASA-N 0 1 304.346 1.598 20 5 DDBDMN Cc1[nH]ncc1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375923065 307233319 /nfs/dbraw/zinc/23/33/19/307233319.db2.gz RCPGHGUDZYBFKY-UHFFFAOYSA-N 0 1 318.337 1.229 20 5 DDBDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000377103215 307262989 /nfs/dbraw/zinc/26/29/89/307262989.db2.gz ZZGTWWVWTBBCML-UPONEAKYSA-N 0 1 306.253 1.709 20 5 DDBDMN COc1ccccc1N1CC[C@H](NC(=O)[C@H]2CC2[N+](=O)[O-])C1 ZINC000378127381 307282345 /nfs/dbraw/zinc/28/23/45/307282345.db2.gz QJXFEFZBJBRRKZ-GMXVVIOVSA-N 0 1 305.334 1.055 20 5 DDBDMN CNC(=O)c1ccc(NCCc2n[nH]c(C)n2)c([N+](=O)[O-])c1 ZINC000392489177 307294575 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5 DDBDMN CO[C@@H]1C[C@@H](C(=O)[O-])[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000574331405 308268136 /nfs/dbraw/zinc/26/81/36/308268136.db2.gz BKSYBZVETXRXGS-PWSUYJOCSA-N 0 1 310.306 1.148 20 5 DDBDMN CO[C@@H]1C[C@@H](C(=O)[O-])[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000574331405 308268137 /nfs/dbraw/zinc/26/81/37/308268137.db2.gz BKSYBZVETXRXGS-PWSUYJOCSA-N 0 1 310.306 1.148 20 5 DDBDMN Cc1[nH+]ccn1CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575185296 308272772 /nfs/dbraw/zinc/27/27/72/308272772.db2.gz UNSFNKGLIYAQPZ-UHFFFAOYSA-N 0 1 305.294 1.695 20 5 DDBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC000576348587 308308509 /nfs/dbraw/zinc/30/85/09/308308509.db2.gz DGXIZJSWRYQGMY-LLVKDONJSA-N 0 1 315.333 1.905 20 5 DDBDMN C[C@H](CN(C)C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000168940120 524291532 /nfs/dbraw/zinc/29/15/32/524291532.db2.gz JRQZXXLIIDIWBV-SECBINFHSA-N 0 1 301.368 1.360 20 5 DDBDMN CC(C)(C)OC(=O)NCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000490946416 526459166 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C[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599324566 357893999 /nfs/dbraw/zinc/89/39/99/357893999.db2.gz UAVQXXNQXUPUDD-BXKDBHETSA-N 0 1 316.383 1.575 20 5 DDBDMN O=C(N[C@H](c1ccccn1)C1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000600301317 358189588 /nfs/dbraw/zinc/18/95/88/358189588.db2.gz JHXYNYVMERTKPJ-LBPRGKRZSA-N 0 1 301.306 1.984 20 5 DDBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600700248 358286085 /nfs/dbraw/zinc/28/60/85/358286085.db2.gz BCOXWANOORWIQT-OAHLLOKOSA-N 0 1 321.333 1.863 20 5 DDBDMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(C(N)=O)CCCC1 ZINC000180700075 199199085 /nfs/dbraw/zinc/19/90/85/199199085.db2.gz GEMOSGFIZZIGHO-CYBMUJFWSA-N 0 1 307.350 1.358 20 5 DDBDMN CN1CC[C@@H](N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)C1=O ZINC000601177052 358435794 /nfs/dbraw/zinc/43/57/94/358435794.db2.gz QDCVHDOVXYPZGD-CYBMUJFWSA-N 0 1 319.365 1.097 20 5 DDBDMN CC(C)[C@@H]1CNCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000602529609 359029095 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O=C1C[C@]2(CN1)CCC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000339039144 250263092 /nfs/dbraw/zinc/26/30/92/250263092.db2.gz FSJFAKPCQAVKSU-HNNXBMFYSA-N 0 1 305.334 1.403 20 5 DDBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000109620152 194277923 /nfs/dbraw/zinc/27/79/23/194277923.db2.gz GLQYOSCIJXSODU-SNVBAGLBSA-N 0 1 310.354 1.912 20 5 DDBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000286503803 219024048 /nfs/dbraw/zinc/02/40/48/219024048.db2.gz WPXBCEXVYWAFIS-ZCFIWIBFSA-N 0 1 320.265 1.421 20 5 DDBDMN COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000412938119 533111874 /nfs/dbraw/zinc/11/18/74/533111874.db2.gz SWEBVNJOGXBVJQ-HNNXBMFYSA-N 0 1 322.317 1.716 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000413553663 224216730 /nfs/dbraw/zinc/21/67/30/224216730.db2.gz OVKZMPASIMPXCI-SNVBAGLBSA-N 0 1 305.342 1.540 20 5 DDBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000413553663 224216732 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DDBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000178780584 407599217 /nfs/dbraw/zinc/59/92/17/407599217.db2.gz QDFURPBXJMESBZ-GFCCVEGCSA-N 0 1 307.350 1.526 20 5 DDBDMN CC(C)C[C@@H](CO)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000186649914 407729977 /nfs/dbraw/zinc/72/99/77/407729977.db2.gz WKNFLAODOSAISA-NSHDSACASA-N 0 1 320.349 1.950 20 5 DDBDMN CN[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000261994572 407704684 /nfs/dbraw/zinc/70/46/84/407704684.db2.gz AFNTZOORJAVYNN-AWEZNQCLSA-N 0 1 317.349 1.247 20 5 DDBDMN COc1cc(N2CCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000117106958 407809678 /nfs/dbraw/zinc/80/96/78/407809678.db2.gz LNARXKFOYHCLSH-UHFFFAOYSA-N 0 1 309.366 1.496 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[N@@H+]1C1CC1 ZINC000133592642 407863632 /nfs/dbraw/zinc/86/36/32/407863632.db2.gz BIXNSZRZIVMUNB-DTWKUNHWSA-N 0 1 306.322 1.050 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[N@H+]1C1CC1 ZINC000133592642 407863636 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O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331986649 304629878 /nfs/dbraw/zinc/62/98/78/304629878.db2.gz UIERKPPMYSOKHU-ZFWWWQNUSA-N 0 1 320.345 1.870 20 5 DDBDMN C[C@H](CO)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364210742 300358408 /nfs/dbraw/zinc/35/84/08/300358408.db2.gz FUQCMBKSISCLDA-GFCCVEGCSA-N 0 1 307.350 1.124 20 5 DDBDMN CC(C)CNC(=O)[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823849 300588961 /nfs/dbraw/zinc/58/89/61/300588961.db2.gz WTBXILFAUCEEEP-LBPRGKRZSA-N 0 1 323.397 1.589 20 5 DDBDMN O=C1NCCCC[C@H]1N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369012308 301119654 /nfs/dbraw/zinc/11/96/54/301119654.db2.gz UWTKDQWGXVZDII-DGCLKSJQSA-N 0 1 307.354 1.097 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000370234422 301299509 /nfs/dbraw/zinc/29/95/09/301299509.db2.gz AYRAPBJBTDOSDZ-IJLUTSLNSA-N 0 1 319.365 1.333 20 5 DDBDMN Nc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)cccc1[N+](=O)[O-] ZINC000370244961 301301354 /nfs/dbraw/zinc/30/13/54/301301354.db2.gz SHJBGZROYGIXIG-UHFFFAOYSA-N 0 1 316.321 1.315 20 5 DDBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCc2[nH]ncc21 ZINC000331793849 302043597 /nfs/dbraw/zinc/04/35/97/302043597.db2.gz HYKLXWPQPAYFBC-UHFFFAOYSA-N 0 1 322.346 1.768 20 5 DDBDMN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000378565350 302336506 /nfs/dbraw/zinc/33/65/06/302336506.db2.gz JJPLNQVTGJBGHX-WDEREUQCSA-N 0 1 301.306 1.175 20 5 DDBDMN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447242129 302395582 /nfs/dbraw/zinc/39/55/82/302395582.db2.gz AKZKYVLEWSIFAZ-ZETCQYMHSA-N 0 1 307.759 1.121 20 5 DDBDMN CC(C)n1ncc2c1C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000372330180 307168100 /nfs/dbraw/zinc/16/81/00/307168100.db2.gz FDECFLHYNVAPPG-SNVBAGLBSA-N 0 1 318.337 1.383 20 5 DDBDMN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000373174913 307180921 /nfs/dbraw/zinc/18/09/21/307180921.db2.gz DFOCXUJVSNYRGB-LLVKDONJSA-N 0 1 319.325 1.053 20 5 DDBDMN O=c1c2cc([N+](=O)[O-])sc2ncn1CCN1CCCCC1 ZINC000576347140 308308300 /nfs/dbraw/zinc/30/83/00/308308300.db2.gz ZVEQYUJLLJDSEE-UHFFFAOYSA-N 0 1 308.363 1.852 20 5 DDBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)n1 ZINC000583324921 337316198 /nfs/dbraw/zinc/31/61/98/337316198.db2.gz QMTFPCLEEICHKR-LLVKDONJSA-N 0 1 308.338 1.059 20 5 DDBDMN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000451931005 534075197 /nfs/dbraw/zinc/07/51/97/534075197.db2.gz OICURYNKCHHGHO-QMMMGPOBSA-N 0 1 321.786 1.477 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000330743875 527998249 /nfs/dbraw/zinc/99/82/49/527998249.db2.gz RMPZYERNEAHFQL-SNVBAGLBSA-N 0 1 310.354 1.938 20 5 DDBDMN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1COC1 ZINC000451283013 528399634 /nfs/dbraw/zinc/39/96/34/528399634.db2.gz DVRRPQIAWDWDRP-UHFFFAOYSA-N 0 1 307.350 1.953 20 5 DDBDMN CCOCCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299449153 528656158 /nfs/dbraw/zinc/65/61/58/528656158.db2.gz YXSLNCQAJAAQTK-UHFFFAOYSA-N 0 1 320.342 1.829 20 5 DDBDMN C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739186583 602786364 /nfs/dbraw/zinc/78/63/64/602786364.db2.gz SZFFRSAMMHVIRI-NEPJUHHUSA-N 0 1 323.349 1.952 20 5 DDBDMN C[C@H](C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000833516732 605191252 /nfs/dbraw/zinc/19/12/52/605191252.db2.gz UZMDNDNNUCPFDT-QMTHXVAHSA-N 0 1 308.334 1.813 20 5 DDBDMN Cc1sccc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000973241806 695451433 /nfs/dbraw/zinc/45/14/33/695451433.db2.gz HLPWZDPTKGIYSY-CNVPUSNMSA-N 0 1 323.374 1.099 20 5 DDBDMN C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000973255270 695454564 /nfs/dbraw/zinc/45/45/64/695454564.db2.gz ZBPLUYFMMIADMN-FAYOZSNISA-N 0 1 323.393 1.241 20 5 DDBDMN CN1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119359008 696680019 /nfs/dbraw/zinc/68/00/19/696680019.db2.gz RHCQUJRVZRLOLP-UHFFFAOYSA-N 0 1 305.381 1.029 20 5 DDBDMN O=C(NO[C@H]1CCCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000162261634 697327061 /nfs/dbraw/zinc/32/70/61/697327061.db2.gz ZMZAVQCDIZEIJR-NSHDSACASA-N 0 1 306.278 1.659 20 5 DDBDMN NC(=O)[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774907000 697940494 /nfs/dbraw/zinc/94/04/94/697940494.db2.gz UCABJFGVWCMSGC-LLVKDONJSA-N 0 1 303.274 1.176 20 5 DDBDMN COC[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954325 700194476 /nfs/dbraw/zinc/19/44/76/700194476.db2.gz MXFDCSDLZMVUJT-NSHDSACASA-N 0 1 305.338 1.574 20 5 DDBDMN Nc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000776431945 698106328 /nfs/dbraw/zinc/10/63/28/698106328.db2.gz YYYUKOZBTRNRTK-UHFFFAOYSA-N 0 1 323.334 1.121 20 5 DDBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000248233676 698371528 /nfs/dbraw/zinc/37/15/28/698371528.db2.gz CRCLBSDKUGXVFD-ZWKOPEQDSA-N 0 1 301.306 1.110 20 5 DDBDMN O=C(NC[C@H](O)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780328132 698507267 /nfs/dbraw/zinc/50/72/67/698507267.db2.gz NJBRSIJECFUZCF-AWEZNQCLSA-N 0 1 302.286 1.764 20 5 DDBDMN CC(C)n1cc2c(n1)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CCC2 ZINC000781054714 698586258 /nfs/dbraw/zinc/58/62/58/698586258.db2.gz OGOOHDOAZJPKEI-SNVBAGLBSA-N 0 1 318.337 1.903 20 5 DDBDMN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CCN1CCCC1 ZINC000789967861 699427016 /nfs/dbraw/zinc/42/70/16/699427016.db2.gz SEWOBCAVTDJOBK-UHFFFAOYSA-N 0 1 304.306 1.507 20 5 DDBDMN CCc1cc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000732787989 699570140 /nfs/dbraw/zinc/57/01/40/699570140.db2.gz DFDFZKKOHNEPAM-UHFFFAOYSA-N 0 1 318.333 1.966 20 5 DDBDMN O=c1[nH]nc2n1CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000771812734 701332307 /nfs/dbraw/zinc/33/23/07/701332307.db2.gz NMAYVOBXHRNZSP-UHFFFAOYSA-N 0 1 309.713 1.561 20 5 DDBDMN CN(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839689713 701785359 /nfs/dbraw/zinc/78/53/59/701785359.db2.gz FJQFQUMDEKOZRX-VXGBXAGGSA-N 0 1 306.322 1.062 20 5 DDBDMN O=C(NCc1c(F)cccc1OC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839693048 701786770 /nfs/dbraw/zinc/78/67/70/701786770.db2.gz ALOIEGYEUXOFMQ-HZGVNTEJSA-N 0 1 304.224 1.709 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(OCCCOc2ccccc2)C1 ZINC000839696888 701788685 /nfs/dbraw/zinc/78/86/85/701788685.db2.gz RJEDEXGFBSOSPS-HUUCEWRRSA-N 0 1 320.345 1.348 20 5 DDBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000839698586 701788800 /nfs/dbraw/zinc/78/88/00/701788800.db2.gz QNWQKKDBDNGGMN-OUAUKWLOSA-N 0 1 307.354 1.237 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(Cc2cccc(F)c2)CC1 ZINC000839706359 701791221 /nfs/dbraw/zinc/79/12/21/701791221.db2.gz UUZYKXFIROAIES-ZIAGYGMSSA-N 0 1 307.325 1.135 20 5 DDBDMN COc1cc2c(cc1CNC(=O)[C@@H]1CC1[N+](=O)[O-])O[C@@H](C)C2 ZINC000839709259 701791878 /nfs/dbraw/zinc/79/18/78/701791878.db2.gz MDISFROTHKBDOV-XXILOJSOSA-N 0 1 306.318 1.300 20 5 DDBDMN CC(C)(C)OC(=O)c1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839719367 701796709 /nfs/dbraw/zinc/79/67/09/701796709.db2.gz POLOFNJGJJIKNK-CHWSQXEVSA-N 0 1 320.345 1.923 20 5 DDBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000839762773 701814382 /nfs/dbraw/zinc/81/43/82/701814382.db2.gz HGBGIBWDXZFDFI-IJLUTSLNSA-N 0 1 308.334 1.936 20 5 DDBDMN O=C(NCCc1nc(-c2ccccn2)cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000840332236 702072764 /nfs/dbraw/zinc/07/27/64/702072764.db2.gz BCVMBIZYPFIBEC-BXKDBHETSA-N 0 1 318.358 1.529 20 5 DDBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCc2nc[nH]c2C1 ZINC000868426384 702120515 /nfs/dbraw/zinc/12/05/15/702120515.db2.gz DHLFJZHKFNRPCC-UHFFFAOYSA-N 0 1 304.281 1.584 20 5 DDBDMN O=C(NC1CC1)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000840671480 702195061 /nfs/dbraw/zinc/19/50/61/702195061.db2.gz VOLHALMJFIMTKX-JHJVBQTASA-N 0 1 322.292 1.354 20 5 DDBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1nnnn1C1CCCCC1 ZINC000840673602 702197347 /nfs/dbraw/zinc/19/73/47/702197347.db2.gz UTSDRNQSWPCDHN-JMJZKYOTSA-N 0 1 309.326 1.448 20 5 DDBDMN O=C(OCc1cncc(Br)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673332 702198028 /nfs/dbraw/zinc/19/80/28/702198028.db2.gz KRCCSJRQLBVVBL-RKDXNWHRSA-N 0 1 301.096 1.553 20 5 DDBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)CN1CCO ZINC000842046638 702663136 /nfs/dbraw/zinc/66/31/36/702663136.db2.gz FTNOBBLOPYTYCA-NXEZZACHSA-N 0 1 321.337 1.022 20 5 DDBDMN CC1(C)C[C@@H](O)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000879622167 706741906 /nfs/dbraw/zinc/74/19/06/706741906.db2.gz IHNSPQZQNGNIAU-OLZOCXBDSA-N 0 1 324.377 1.427 20 5 DDBDMN CC(C)S(=O)(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848550094 703562396 /nfs/dbraw/zinc/56/23/96/703562396.db2.gz CBQMURFNNMTZHM-ZDUSSCGKSA-N 0 1 312.391 1.995 20 5 DDBDMN CC1(c2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)OCCO1 ZINC000869971097 703886058 /nfs/dbraw/zinc/88/60/58/703886058.db2.gz GWRLAMDFAZCQHO-CHWSQXEVSA-N 0 1 306.318 1.188 20 5 DDBDMN Cc1cc([N+](=O)[O-])cn(Cc2cc(O)ccc2[N+](=O)[O-])c1=O ZINC000821083906 704369341 /nfs/dbraw/zinc/36/93/41/704369341.db2.gz BIBNQORVUWYUQS-UHFFFAOYSA-N 0 1 305.246 1.727 20 5 DDBDMN CCOc1cc([N+](=O)[O-])c(C(=O)OCc2c[nH]nn2)cc1OC ZINC000821586502 704424799 /nfs/dbraw/zinc/42/47/99/704424799.db2.gz BBGXYRNYLFXGKJ-UHFFFAOYSA-N 0 1 322.277 1.477 20 5 DDBDMN COc1ccc(-c2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])on2)cc1 ZINC000855689403 704497640 /nfs/dbraw/zinc/49/76/40/704497640.db2.gz SSMGIKCVDHUFSQ-TZMCWYRMSA-N 0 1 317.301 1.632 20 5 DDBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(Cl)c(F)c1 ZINC000859721043 704984318 /nfs/dbraw/zinc/98/43/18/704984318.db2.gz YYKQJZZOXNUBEZ-GMSGAONNSA-N 0 1 316.672 1.626 20 5 DDBDMN CC(C)CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000823970884 705347462 /nfs/dbraw/zinc/34/74/62/705347462.db2.gz HDUREEICAYQBHW-OAHLLOKOSA-N 0 1 321.377 1.428 20 5 DDBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867147791 706909067 /nfs/dbraw/zinc/90/90/67/706909067.db2.gz OJTOCWCQVJXYPU-WDEREUQCSA-N 0 1 309.341 1.827 20 5 DDBDMN COc1ccc(CN2CCC3(CC2)COCCO3)cc1[N+](=O)[O-] ZINC000880542582 707011430 /nfs/dbraw/zinc/01/14/30/707011430.db2.gz HLXOVJHHXRJVFY-UHFFFAOYSA-N 0 1 322.361 1.985 20 5 DDBDMN O=[N+]([O-])c1c(F)nccc1N1CCN(C2CCOCC2)CC1 ZINC000882049156 707478723 /nfs/dbraw/zinc/47/87/23/707478723.db2.gz LRVARIMELRURTN-UHFFFAOYSA-N 0 1 310.329 1.430 20 5 DDBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H](O)C1CCOCC1 ZINC000837530698 707674393 /nfs/dbraw/zinc/67/43/93/707674393.db2.gz XOYNDEKPUAOBNC-CYBMUJFWSA-N 0 1 311.290 1.131 20 5 DDBDMN CC(C)n1cc(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC000837740507 707734395 /nfs/dbraw/zinc/73/43/95/707734395.db2.gz HKVRGPXAZUPASD-UHFFFAOYSA-N 0 1 306.278 1.830 20 5 DDBDMN COc1cc(C(=O)N2CC(N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000898612765 708811309 /nfs/dbraw/zinc/81/13/09/708811309.db2.gz MWCBNYWWCZWBED-UHFFFAOYSA-N 0 1 305.334 1.524 20 5 DDBDMN COc1c(O)ccc(CNCCO[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000895356902 711492991 /nfs/dbraw/zinc/49/29/91/711492991.db2.gz UFLHHBYLOGEHRN-JTQLQIEISA-N 0 1 318.276 1.823 20 5 DDBDMN Cc1c(CNCc2c3c(nn2C)CCOC3)cccc1[N+](=O)[O-] ZINC000922049221 713946660 /nfs/dbraw/zinc/94/66/60/713946660.db2.gz VNKQWLAZZPQANM-UHFFFAOYSA-N 0 1 316.361 1.999 20 5 DDBDMN COC1(OC)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000931641422 714147646 /nfs/dbraw/zinc/14/76/46/714147646.db2.gz FALIPGCRDOTEOH-SMDDNHRTSA-N 0 1 310.350 1.712 20 5 DDBDMN O=C1N[C@@H](C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CO1 ZINC000932769354 714409720 /nfs/dbraw/zinc/40/97/20/714409720.db2.gz CDHPZLFHWZMPKQ-CYBMUJFWSA-N 0 1 305.334 1.915 20 5 DDBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000935724085 715122382 /nfs/dbraw/zinc/12/23/82/715122382.db2.gz HDDBLMDLJJRMPZ-GFCCVEGCSA-N 0 1 323.397 1.336 20 5 DDBDMN CC(C)=CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000956369485 715419875 /nfs/dbraw/zinc/41/98/75/715419875.db2.gz ULUFCILGPJJLBF-VXGBXAGGSA-N 0 1 309.366 1.115 20 5 DDBDMN CC1(CC(=O)N2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000956372511 715420575 /nfs/dbraw/zinc/42/05/75/715420575.db2.gz UAIMPTIKCGFUFD-VXGBXAGGSA-N 0 1 323.393 1.339 20 5 DDBDMN COc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1CN(C)CCN1C ZINC001120959084 782257597 /nfs/dbraw/zinc/25/75/97/782257597.db2.gz FLZNAZYKKRXQIA-DGCLKSJQSA-N 0 1 308.382 1.650 20 5 DDBDMN CN(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccn[nH]1 ZINC001105338998 738272253 /nfs/dbraw/zinc/27/22/53/738272253.db2.gz IUUAGOPIQSIWSI-UHFFFAOYSA-N 0 1 303.322 1.526 20 5 DDBDMN O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1ncn[nH]1 ZINC001059276764 740540678 /nfs/dbraw/zinc/54/06/78/740540678.db2.gz MEIIVPCMTAXKDX-ZKCHVHJHSA-N 0 1 320.284 1.225 20 5 DDBDMN O=C(N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1)c1nc[nH]n1 ZINC001059276764 740540680 /nfs/dbraw/zinc/54/06/80/740540680.db2.gz MEIIVPCMTAXKDX-ZKCHVHJHSA-N 0 1 320.284 1.225 20 5 DDBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001126749878 741936674 /nfs/dbraw/zinc/93/66/74/741936674.db2.gz KFJDTIWVKIOIHM-OUAUKWLOSA-N 0 1 308.338 1.912 20 5 DDBDMN Cc1cc(S(=O)(=O)N(C)Cc2cnc[nH]2)c([N+](=O)[O-])s1 ZINC001212473651 743530947 /nfs/dbraw/zinc/53/09/47/743530947.db2.gz UQMLJLSNFVNVDR-UHFFFAOYSA-N 0 1 316.364 1.509 20 5 DDBDMN C[C@H](O)[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001192490997 745795424 /nfs/dbraw/zinc/79/54/24/745795424.db2.gz XTNDZGZBUZBVPO-WDEREUQCSA-N 0 1 318.333 1.848 20 5 DDBDMN COc1ccnc(N2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)n1 ZINC001169040016 762194557 /nfs/dbraw/zinc/19/45/57/762194557.db2.gz WXZMLUJYUAPJGT-QWHCGFSZSA-N 0 1 321.381 1.053 20 5 DDBDMN CCOC(=O)c1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1CNCC2 ZINC001169041617 762195762 /nfs/dbraw/zinc/19/57/62/762195762.db2.gz BNRUUASZTMPUMU-GHMZBOCLSA-N 0 1 322.365 1.323 20 5 DDBDMN CC(C(=O)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)=C1CCC1 ZINC001062974474 753887169 /nfs/dbraw/zinc/88/71/69/753887169.db2.gz CFPNOAIHOXXYFD-CHWSQXEVSA-N 0 1 321.377 1.307 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000829037758 759863309 /nfs/dbraw/zinc/86/33/09/759863309.db2.gz JFKOHHXKLXJHJS-DOMZBBRYSA-N 0 1 320.393 1.267 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000829037759 759864234 /nfs/dbraw/zinc/86/42/34/759864234.db2.gz JFKOHHXKLXJHJS-IUODEOHRSA-N 0 1 320.393 1.267 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2ccc(NC[C@@H]3COCCN3)nn2)c1 ZINC001170041604 764321531 /nfs/dbraw/zinc/32/15/31/764321531.db2.gz JJEAVOMYVVFFJA-GFCCVEGCSA-N 0 1 315.333 1.452 20 5 DDBDMN Cc1ccc([C@H](C)NC(=O)CCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC001148264887 773416177 /nfs/dbraw/zinc/41/61/77/773416177.db2.gz UNHNBMQLLJFRFK-JTQLQIEISA-N 0 1 303.322 1.831 20 5 DDBDMN Cc1ccc([C@H](C)NC(=O)CCc2cnn[nH]2)cc1[N+](=O)[O-] ZINC001148264887 773416180 /nfs/dbraw/zinc/41/61/80/773416180.db2.gz UNHNBMQLLJFRFK-JTQLQIEISA-N 0 1 303.322 1.831 20 5 DDBDMN Cc1cc(CC(=O)NCCNc2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC001093551999 774832589 /nfs/dbraw/zinc/83/25/89/774832589.db2.gz WPGKCNASDKAQNU-UHFFFAOYSA-N 0 1 321.312 1.536 20 5 DDBDMN O=C(CCc1nc[nH]n1)NCCCNc1ccc([N+](=O)[O-])cc1 ZINC001094363059 775781337 /nfs/dbraw/zinc/78/13/37/775781337.db2.gz AGFKAKQLXJGNFC-UHFFFAOYSA-N 0 1 318.337 1.264 20 5 DDBDMN COC(=O)Cc1ccc(Nc2nccnc2CN)cc1[N+](=O)[O-] ZINC001171449507 776125332 /nfs/dbraw/zinc/12/53/32/776125332.db2.gz MMXPNOBXNNBFOF-UHFFFAOYSA-N 0 1 317.305 1.303 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)[C@H](O)C2)c1F ZINC001173181331 777035553 /nfs/dbraw/zinc/03/55/53/777035553.db2.gz OQGPBRHMPRPQTN-OPQQBVKSSA-N 0 1 312.341 1.986 20 5 DDBDMN O=C(NC1(c2ncon2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001179143577 779283341 /nfs/dbraw/zinc/28/33/41/779283341.db2.gz PWBDIRYKUFRDBJ-UHFFFAOYSA-N 0 1 304.262 1.493 20 5 DDBDMN COCCN1[C@H](C)CN(c2c(C)cncc2[N+](=O)[O-])C[C@@H]1C ZINC001118125986 781038773 /nfs/dbraw/zinc/03/87/73/781038773.db2.gz CTFRNBAFIBAYNS-BETUJISGSA-N 0 1 308.382 1.844 20 5 DDBDMN O=C(NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)F ZINC001266579261 836492012 /nfs/dbraw/zinc/49/20/12/836492012.db2.gz KWNAYYBOLNNPAV-UHFFFAOYSA-N 0 1 313.304 1.941 20 5 DDBDMN O=C(NC/C=C/CNCc1ccccc1[N+](=O)[O-])c1cnco1 ZINC001268578815 840478812 /nfs/dbraw/zinc/47/88/12/840478812.db2.gz YZHOBQODWYDNHN-ONEGZZNKSA-N 0 1 316.317 1.659 20 5 DDBDMN O=[N+]([O-])c1cnc(Cl)cc1NCc1nnc2n1CCCNC2 ZINC001155425164 862072711 /nfs/dbraw/zinc/07/27/11/862072711.db2.gz VCJLKPYEEIFWKT-UHFFFAOYSA-N 0 1 323.744 1.340 20 5 DDBDMN O=C(NCc1n[nH]c(-c2ccncc2)n1)c1ccccc1[N+](=O)[O-] ZINC001299446323 852858746 /nfs/dbraw/zinc/85/87/46/852858746.db2.gz PQGMEDPOCPYAAF-UHFFFAOYSA-N 0 1 324.300 1.705 20 5 DDBDMN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](c2nn[nH]n2)C1 ZINC001152993627 863641374 /nfs/dbraw/zinc/64/13/74/863641374.db2.gz AXKWQMXZIYGBSU-SSDOTTSWSA-N 0 1 322.712 1.391 20 5 DDBDMN CCOC(=O)C1CO[C@H](C)C1=Nc1nccc(C)c1[N+](=O)[O-] ZINC001157380896 863772980 /nfs/dbraw/zinc/77/29/80/863772980.db2.gz NIYVBLGSRUSWPG-SECBINFHSA-N 0 1 307.306 1.946 20 5 DDBDMN Nc1ncc(C(=O)NCc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC001158845123 864932872 /nfs/dbraw/zinc/93/28/72/864932872.db2.gz KFOMPHVPNFQJIP-UHFFFAOYSA-N 0 1 312.289 1.378 20 5 DDBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC001160604557 865971506 /nfs/dbraw/zinc/97/15/06/865971506.db2.gz KVCDIVKWSLBGLM-SNVBAGLBSA-N 0 1 318.308 1.673 20 5 DDBDMN Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)N1CCN(C)CC1 ZINC001319856124 866347912 /nfs/dbraw/zinc/34/79/12/866347912.db2.gz NNXDGNXBAAKUNU-UHFFFAOYSA-N 0 1 307.398 1.736 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](CN2CCOCC2)C1 ZINC001324367473 867232527 /nfs/dbraw/zinc/23/25/27/867232527.db2.gz WWBGHNPUIIBEGR-CQSZACIVSA-N 0 1 320.393 1.847 20 5 DDBDMN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCCN2CCSC[C@H]12 ZINC001336836579 869173984 /nfs/dbraw/zinc/17/39/84/869173984.db2.gz IOTRVKKINRNRJA-WCQYABFASA-N 0 1 308.407 1.712 20 5 DDBDMN CCOc1nc(N2CCN(CCCOC)CC2)ccc1[N+](=O)[O-] ZINC001165097884 869373298 /nfs/dbraw/zinc/37/32/98/869373298.db2.gz WHLAMOOTNFEWKR-UHFFFAOYSA-N 0 1 324.381 1.547 20 5 DDBDMN CN1CCCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001337536870 869530100 /nfs/dbraw/zinc/53/01/00/869530100.db2.gz YJEZRZSZXVNQQA-SNVBAGLBSA-N 0 1 321.333 1.538 20 5 DDBDMN COCc1nn(-c2nc(Cl)cc(C)c2[N+](=O)[O-])c2c1CNC2 ZINC001165632603 869662641 /nfs/dbraw/zinc/66/26/41/869662641.db2.gz VFBGBBBEKAFTIO-UHFFFAOYSA-N 0 1 323.740 1.887 20 5 DDBDMN COc1nc(NC(C)=CC(=O)OC(C)C)nc(C)c1[N+](=O)[O-] ZINC001166728749 870197511 /nfs/dbraw/zinc/19/75/11/870197511.db2.gz SHKNAKXSQRRAFJ-VURMDHGXSA-N 0 1 310.310 1.969 20 5 DDBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H]1c1nnc[nH]1 ZINC001301213690 870980707 /nfs/dbraw/zinc/98/07/07/870980707.db2.gz RTKDKZNRYFACGA-NSHDSACASA-N 0 1 319.296 1.758 20 5 DDBDMN CC/C(C)=C/C(=O)NCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001340525903 871171977 /nfs/dbraw/zinc/17/19/77/871171977.db2.gz KKSMFXAWTYYTEU-NALFIARHSA-N 0 1 323.393 1.411 20 5 DDBDMN COc1cccc(C(=O)N[C@H](C)C2=NN(C)CC2=O)c1[N+](=O)[O-] ZINC001304545441 871223107 /nfs/dbraw/zinc/22/31/07/871223107.db2.gz UGKSRQZFNZRXIR-MRVPVSSYSA-N 0 1 320.305 1.534 20 5 DDBDMN CCOc1cc(NC(=O)NCCc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC001310945294 871661705 /nfs/dbraw/zinc/66/17/05/871661705.db2.gz SAKMRTSQJSFQSI-UHFFFAOYSA-N 0 1 320.309 1.476 20 5 DDBDMN CN(CCCNC(=O)c1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351200185 876117044 /nfs/dbraw/zinc/11/70/44/876117044.db2.gz UGZHEHDKEDKNTP-CHWSQXEVSA-N 0 1 323.324 1.069 20 5 DDBDMN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cncc([N+](=O)[O-])c3)C[C@H]1[N@H+]2C ZINC001227990698 883272183 /nfs/dbraw/zinc/27/21/83/883272183.db2.gz OYNBOHLNQJLGMP-OBCWZRDOSA-N 0 1 321.333 1.535 20 5 DDBDMN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cncc([N+](=O)[O-])c3)C[C@H]1N2C ZINC001227990698 883272199 /nfs/dbraw/zinc/27/21/99/883272199.db2.gz OYNBOHLNQJLGMP-OBCWZRDOSA-N 0 1 321.333 1.535 20 5 DDBDMN CNC(=O)N[C@H]1CCC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570852 896506163 /nfs/dbraw/zinc/50/61/63/896506163.db2.gz QBHQLQNTWKPNNE-JSGCOSHPSA-N 0 1 320.393 1.919 20 5 DDBDMN CNC(=O)N[C@H]1CCCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254570852 896506171 /nfs/dbraw/zinc/50/61/71/896506171.db2.gz QBHQLQNTWKPNNE-JSGCOSHPSA-N 0 1 320.393 1.919 20 5 DDBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C/C(Cl)=C\Cl)CC1 ZINC001258292134 898130367 /nfs/dbraw/zinc/13/03/67/898130367.db2.gz PAOJYDUWIOZHOQ-IZRRHEBBSA-N 0 1 308.165 1.115 20 5 DDBDMN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](c2nn[nH]n2)C1 ZINC001261888233 899808123 /nfs/dbraw/zinc/80/81/23/899808123.db2.gz HPYAJEOCMFRDJF-ZETCQYMHSA-N 0 1 322.712 1.391 20 5 DDBDMN Cn1cc([C@@H](O)CNCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC001262362421 900132887 /nfs/dbraw/zinc/13/28/87/900132887.db2.gz QCHXLMYVBSGZKP-ZDUSSCGKSA-N 0 1 310.741 1.805 20 5 DDBDMN CN(CC(C)(C)CNC(=O)C1CC=CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001280386509 903626293 /nfs/dbraw/zinc/62/62/93/903626293.db2.gz FHZPODNMYUMSJP-CHWSQXEVSA-N 0 1 323.393 1.219 20 5 DDBDMN O=C(C=C1CCC1)NCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001283785427 907956861 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ZINC000089420696 407133998 /nfs/dbraw/zinc/13/39/98/407133998.db2.gz FYRVGZONSJFTHI-UHFFFAOYSA-N 0 1 301.266 1.161 20 5 DDBDMN NC(=O)CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051918288 407144743 /nfs/dbraw/zinc/14/47/43/407144743.db2.gz QMESSIVTRNGLGR-UHFFFAOYSA-N 0 1 307.350 1.561 20 5 DDBDMN C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000098093509 407305594 /nfs/dbraw/zinc/30/55/94/407305594.db2.gz TVGQGOIZTVVRTE-JTQLQIEISA-N 0 1 308.338 1.157 20 5 DDBDMN C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000098093509 407305596 /nfs/dbraw/zinc/30/55/96/407305596.db2.gz TVGQGOIZTVVRTE-JTQLQIEISA-N 0 1 308.338 1.157 20 5 DDBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCNC1=O ZINC000105611717 407354793 /nfs/dbraw/zinc/35/47/93/407354793.db2.gz UCXKSFNMZVUYKO-AWEZNQCLSA-N 0 1 307.350 1.574 20 5 DDBDMN CCN(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000185751101 407493694 /nfs/dbraw/zinc/49/36/94/407493694.db2.gz LDFYBPDHAZRALF-UHFFFAOYSA-N 0 1 313.379 1.357 20 5 DDBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCOCC12CCC2 ZINC000152294165 407604304 /nfs/dbraw/zinc/60/43/04/407604304.db2.gz KOVSPSZIXPPKTE-UHFFFAOYSA-N 0 1 316.317 1.866 20 5 DDBDMN C[C@@H](NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nnc[nH]1 ZINC000178993702 407684951 /nfs/dbraw/zinc/68/49/51/407684951.db2.gz SFYHVPCYHOHXHV-MRVPVSSYSA-N 0 1 314.305 1.614 20 5 DDBDMN C[NH+](C)C[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187150097 407826271 /nfs/dbraw/zinc/82/62/71/407826271.db2.gz HVMVWOGTLZJULR-LLVKDONJSA-N 0 1 308.338 1.252 20 5 DDBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c1[N+](=O)[O-] ZINC000272241184 407830687 /nfs/dbraw/zinc/83/06/87/407830687.db2.gz XMHQZDHACFORSY-ZJUUUORDSA-N 0 1 306.322 1.600 20 5 DDBDMN O=C([O-])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000262662187 407894025 /nfs/dbraw/zinc/89/40/25/407894025.db2.gz ODKQNEYBKMMOAV-JTQLQIEISA-N 0 1 307.306 1.330 20 5 DDBDMN CC(=O)c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])nc1C ZINC000134485623 407904073 /nfs/dbraw/zinc/90/40/73/407904073.db2.gz XDOUMHMQDRFJEP-UHFFFAOYSA-N 0 1 303.278 1.154 20 5 DDBDMN Cc1ccc([N+](=O)[O-])c(Nc2ccn(CC(=O)N(C)C)n2)n1 ZINC000272482788 407941186 /nfs/dbraw/zinc/94/11/86/407941186.db2.gz OVXFJHHWINXSHO-UHFFFAOYSA-N 0 1 304.310 1.327 20 5 DDBDMN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272579690 407992222 /nfs/dbraw/zinc/99/22/22/407992222.db2.gz QGPNFKPUGNOGIF-IINYFYTJSA-N 0 1 308.334 1.924 20 5 DDBDMN COC(=O)[C@@H](O)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000135373719 408008369 /nfs/dbraw/zinc/00/83/69/408008369.db2.gz PYRPPUGCTDTNHI-NHYWBVRUSA-N 0 1 322.361 1.902 20 5 DDBDMN C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000182045162 408066830 /nfs/dbraw/zinc/06/68/30/408066830.db2.gz OGDRVHDVQULUOU-QWRGUYRKSA-N 0 1 307.350 1.855 20 5 DDBDMN Cc1ccc(C)c(S(=O)(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000189787506 408107740 /nfs/dbraw/zinc/10/77/40/408107740.db2.gz LSDAISKRIDSGOP-UHFFFAOYSA-N 0 1 301.368 1.052 20 5 DDBDMN C[C@H](CC(=O)c1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156333226 408251690 /nfs/dbraw/zinc/25/16/90/408251690.db2.gz AIQWVSWTQIRMNY-SECBINFHSA-N 0 1 302.290 1.709 20 5 DDBDMN Nc1c(C(=O)N[C@@H]2CCCc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000269004296 408222105 /nfs/dbraw/zinc/22/21/05/408222105.db2.gz RJNJEDSISRTROM-SNVBAGLBSA-N 0 1 301.306 1.708 20 5 DDBDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269095550 408228864 /nfs/dbraw/zinc/22/88/64/408228864.db2.gz JCSZXTZXJLGPTH-SKDRFNHKSA-N 0 1 305.334 1.513 20 5 DDBDMN O=C(NCc1ccccc1-n1ccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000138489086 162129104 /nfs/dbraw/zinc/12/91/04/162129104.db2.gz KCPPQOPGGMUXCM-UHFFFAOYSA-N 0 1 312.289 1.434 20 5 DDBDMN O=C(NCc1ccccc1-n1cc[nH+]c1)c1[n-]ncc1[N+](=O)[O-] ZINC000138489086 162129108 /nfs/dbraw/zinc/12/91/08/162129108.db2.gz KCPPQOPGGMUXCM-UHFFFAOYSA-N 0 1 312.289 1.434 20 5 DDBDMN Cc1c(Br)c(NCc2nnc[nH]2)ncc1[N+](=O)[O-] ZINC000165728227 162162023 /nfs/dbraw/zinc/16/20/23/162162023.db2.gz UMGHDCXOFVDWKB-UHFFFAOYSA-N 0 1 313.115 1.791 20 5 DDBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](OCCO)C1 ZINC000172300064 162269025 /nfs/dbraw/zinc/26/90/25/162269025.db2.gz NBQZMTASQYSEOB-CYBMUJFWSA-N 0 1 310.350 1.447 20 5 DDBDMN COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1[N+](=O)[O-] ZINC000160149457 408460868 /nfs/dbraw/zinc/46/08/68/408460868.db2.gz OXLSDLJTNSPZGL-TXEJJXNPSA-N 0 1 305.334 1.570 20 5 DDBDMN CC(C)C[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000269699268 408396294 /nfs/dbraw/zinc/39/62/94/408396294.db2.gz KQEFOFDWLCMYPP-VIFPVBQESA-N 0 1 320.342 1.419 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c1[N+](=O)[O-] ZINC000274541789 408442743 /nfs/dbraw/zinc/44/27/43/408442743.db2.gz SKFVKKXWDJAPET-HXNGOWOSSA-N 0 1 316.383 1.280 20 5 DDBDMN CCOC(=O)N1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274687684 408495743 /nfs/dbraw/zinc/49/57/43/408495743.db2.gz ZAWIEMNMJDUCIK-SNVBAGLBSA-N 0 1 323.305 1.261 20 5 DDBDMN COCC1=CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000274772440 408527203 /nfs/dbraw/zinc/52/72/03/408527203.db2.gz SGCZQAGEPYXWEL-UHFFFAOYSA-N 0 1 308.338 1.860 20 5 DDBDMN Cc1ccc([C@@H](C)NC(=O)CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000177251304 408565367 /nfs/dbraw/zinc/56/53/67/408565367.db2.gz RGQJSYGMKBIQBD-SNVBAGLBSA-N 0 1 303.322 1.831 20 5 DDBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([C@H](C)O)C1 ZINC000248586224 408592767 /nfs/dbraw/zinc/59/27/67/408592767.db2.gz QYLOCRBARMMPDC-GRYCIOLGSA-N 0 1 307.350 1.625 20 5 DDBDMN C[C@H](O)CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251842402 408787311 /nfs/dbraw/zinc/78/73/11/408787311.db2.gz OCWBEPSFWGQKRI-OLZOCXBDSA-N 0 1 321.377 1.051 20 5 DDBDMN CCN(C)C(=O)CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000178282536 408799366 /nfs/dbraw/zinc/79/93/66/408799366.db2.gz NWUSJONYZYRHJY-UHFFFAOYSA-N 0 1 320.393 1.585 20 5 DDBDMN CN(C)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000270936210 408750697 /nfs/dbraw/zinc/75/06/97/408750697.db2.gz ZDXICNVGLPKZKY-UHFFFAOYSA-N 0 1 301.144 1.503 20 5 DDBDMN COC(=O)[C@H](C)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCC1 ZINC000276798311 408899857 /nfs/dbraw/zinc/89/98/57/408899857.db2.gz RUXMMHXRVRUMFK-VIFPVBQESA-N 0 1 322.317 1.857 20 5 DDBDMN Cc1cc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000187222338 163009888 /nfs/dbraw/zinc/00/98/88/163009888.db2.gz ATUTZFHMDZJNFQ-UHFFFAOYSA-N 0 1 315.377 1.991 20 5 DDBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)n1 ZINC000286648005 408992554 /nfs/dbraw/zinc/99/25/54/408992554.db2.gz CDMLWJOGTBUVOX-NSHDSACASA-N 0 1 318.333 1.227 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000292184023 408996953 /nfs/dbraw/zinc/99/69/53/408996953.db2.gz GQYVOAFGMZQIRC-ZDUSSCGKSA-N 0 1 313.333 1.479 20 5 DDBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC1([S@@](C)=O)CC1 ZINC000282338662 409036868 /nfs/dbraw/zinc/03/68/68/409036868.db2.gz LYTIPSVSKSQEIA-OAQYLSRUSA-N 0 1 312.391 1.994 20 5 DDBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000278418053 409083402 /nfs/dbraw/zinc/08/34/02/409083402.db2.gz RCPJGRSNNHCQJV-OKILXGFUSA-N 0 1 304.302 1.392 20 5 DDBDMN COc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000284896888 409367580 /nfs/dbraw/zinc/36/75/80/409367580.db2.gz HHRAINCVHLNRLZ-HUUCEWRRSA-N 0 1 307.350 1.513 20 5 DDBDMN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)c4n[nH]c(C)c4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000408101183 164227655 /nfs/dbraw/zinc/22/76/55/164227655.db2.gz IBHDPLJNVZDVHH-GOTDPSQWSA-N 0 1 306.322 1.122 20 5 DDBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000344997425 409588405 /nfs/dbraw/zinc/58/84/05/409588405.db2.gz GLPVQFNDMQQZAJ-SECBINFHSA-N 0 1 323.353 1.311 20 5 DDBDMN C[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000331534355 409611255 /nfs/dbraw/zinc/61/12/55/409611255.db2.gz PTKCWGYJUXFDGJ-VHSXEESVSA-N 0 1 305.334 1.655 20 5 DDBDMN CNC(=O)c1ccc(N2CCN(C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000356793064 409611649 /nfs/dbraw/zinc/61/16/49/409611649.db2.gz MFDVNPIRHISQSJ-MNOVXSKESA-N 0 1 306.366 1.483 20 5 DDBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(n3cncn3)CC2)c1 ZINC000305166959 409710754 /nfs/dbraw/zinc/71/07/54/409710754.db2.gz IAKPPQLGSHUSSV-HNNXBMFYSA-N 0 1 317.349 1.557 20 5 DDBDMN CCN1C[C@@H](C)N(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000345170668 409655884 /nfs/dbraw/zinc/65/58/84/409655884.db2.gz IVKJNMOZGWWJKW-GHMZBOCLSA-N 0 1 306.366 1.613 20 5 DDBDMN Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc4[nH]cnc4c3)no2)n1 ZINC000356967426 409750408 /nfs/dbraw/zinc/75/04/08/409750408.db2.gz VRQWSKHGZMZHKK-UHFFFAOYSA-N 0 1 311.261 1.922 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000354494908 409898934 /nfs/dbraw/zinc/89/89/34/409898934.db2.gz GISGFTLPYJWYED-UHFFFAOYSA-N 0 1 315.289 1.740 20 5 DDBDMN O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000332238614 410003482 /nfs/dbraw/zinc/00/34/82/410003482.db2.gz HYBVIJOYSQAKDN-NEPJUHHUSA-N 0 1 305.334 1.657 20 5 DDBDMN C[C@@H]1CN(C)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332311528 410060981 /nfs/dbraw/zinc/06/09/81/410060981.db2.gz MWRJETUMFGDJFB-GFCCVEGCSA-N 0 1 318.377 1.120 20 5 DDBDMN Cc1cc(NC(=O)C(=O)N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000298389134 410207626 /nfs/dbraw/zinc/20/76/26/410207626.db2.gz GVZTYAFIRZPLTK-UHFFFAOYSA-N 0 1 320.349 1.006 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)Cc2cnccc2C)c1[N+](=O)[O-] ZINC000357843615 410289332 /nfs/dbraw/zinc/28/93/32/410289332.db2.gz DJIKTIKMVPLFKE-UHFFFAOYSA-N 0 1 303.322 1.856 20 5 DDBDMN COc1cc(CN2CCC(CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000351970544 410383845 /nfs/dbraw/zinc/38/38/45/410383845.db2.gz DYQWNSJLXHHRDB-UHFFFAOYSA-N 0 1 307.350 1.691 20 5 DDBDMN Cc1n[nH]c(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000347294467 410450492 /nfs/dbraw/zinc/45/04/92/410450492.db2.gz XGRHOMKSNLVLFW-UHFFFAOYSA-N 0 1 308.273 1.525 20 5 DDBDMN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC(CN2CCOCC2)CC1 ZINC000299027106 410488601 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CO[C@](C)(CO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000594588666 356257789 /nfs/dbraw/zinc/25/77/89/356257789.db2.gz ICMKPHLSCNAMCU-HNNXBMFYSA-N 0 1 305.334 1.683 20 5 DDBDMN CCC(C)(C)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000594592490 356258660 /nfs/dbraw/zinc/25/86/60/356258660.db2.gz XSFYHPXUGVAPNT-UHFFFAOYSA-N 0 1 321.381 1.399 20 5 DDBDMN COc1cccc([N+](=O)[O-])c1N[C@H](C)CN1CCN(C)CC1 ZINC000594550063 356248405 /nfs/dbraw/zinc/24/84/05/356248405.db2.gz AAWIASCAFXZTDT-GFCCVEGCSA-N 0 1 308.382 1.651 20 5 DDBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(C2CC2)CCC1 ZINC000594775851 356313834 /nfs/dbraw/zinc/31/38/34/356313834.db2.gz MDEKIWPTNLEDOD-UHFFFAOYSA-N 0 1 311.363 1.848 20 5 DDBDMN CC(C)C(NS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000594778056 356314228 /nfs/dbraw/zinc/31/42/28/356314228.db2.gz ZYOBZGAGVJCFEV-UHFFFAOYSA-N 0 1 301.368 1.949 20 5 DDBDMN C[C@H]1C[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])c2nccn21 ZINC000594779589 356314865 /nfs/dbraw/zinc/31/48/65/356314865.db2.gz VKCAZQTYVBGROW-DTWKUNHWSA-N 0 1 323.334 1.171 20 5 DDBDMN CCC[C@@H](C)[C@H](CO)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594797161 356320861 /nfs/dbraw/zinc/32/08/61/356320861.db2.gz UNKRVXXGVZUPOB-ZJUUUORDSA-N 0 1 317.367 1.065 20 5 DDBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)Cn1cncn1 ZINC000595016102 356372000 /nfs/dbraw/zinc/37/20/00/356372000.db2.gz PZTDHZKDOOUUKJ-GHMZBOCLSA-N 0 1 305.338 1.934 20 5 DDBDMN C[C@H](CC(=O)[O-])[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595280547 356431361 /nfs/dbraw/zinc/43/13/61/356431361.db2.gz MQLKYCOJBADYSE-SECBINFHSA-N 0 1 320.305 1.940 20 5 DDBDMN Cc1cc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601342812 358507687 /nfs/dbraw/zinc/50/76/87/358507687.db2.gz GDCMRTJYLAAHLD-DTWKUNHWSA-N 0 1 319.408 1.336 20 5 DDBDMN C[C@H](O)[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595771471 356645904 /nfs/dbraw/zinc/64/59/04/356645904.db2.gz PKEUKCPIBCBDEC-GXFFZTMASA-N 0 1 318.333 1.990 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595780788 356649861 /nfs/dbraw/zinc/64/98/61/356649861.db2.gz IGENPKFQOMIVSG-UONOGXRCSA-N 0 1 319.361 1.735 20 5 DDBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595880770 356689162 /nfs/dbraw/zinc/68/91/62/356689162.db2.gz ZBVMGICFWAKHGC-XHBSWPGZSA-N 0 1 321.377 1.872 20 5 DDBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(O)(CO)CC1 ZINC000597205272 357091859 /nfs/dbraw/zinc/09/18/59/357091859.db2.gz HWWDCIKOUBAQQA-LCYFTJDESA-N 0 1 306.362 1.817 20 5 DDBDMN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000597709784 357296429 /nfs/dbraw/zinc/29/64/29/357296429.db2.gz BUOQGKMFXXWBGH-INIZCTEOSA-N 0 1 319.361 1.858 20 5 DDBDMN C[C@]1(C2CC2)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CCO1 ZINC000597925833 357384293 /nfs/dbraw/zinc/38/42/93/357384293.db2.gz YKAPGMWIJVJOHT-OAHLLOKOSA-N 0 1 306.318 1.942 20 5 DDBDMN COc1ccc2c(c1)CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C2 ZINC000598222796 357498288 /nfs/dbraw/zinc/49/82/88/357498288.db2.gz BTWQVVLHJGBHIV-UHFFFAOYSA-N 0 1 316.317 1.833 20 5 DDBDMN CCCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000598226885 357499997 /nfs/dbraw/zinc/49/99/97/357499997.db2.gz FLVLQPMRYYLJFH-YMTOWFKASA-N 0 1 308.338 1.379 20 5 DDBDMN COCc1nc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598050534 357444472 /nfs/dbraw/zinc/44/44/72/357444472.db2.gz MLOMXLBVBYOEOT-SECBINFHSA-N 0 1 319.321 1.279 20 5 DDBDMN COCc1nnc(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000598050534 357444475 /nfs/dbraw/zinc/44/44/75/357444475.db2.gz MLOMXLBVBYOEOT-SECBINFHSA-N 0 1 319.321 1.279 20 5 DDBDMN CC(C)(C)OC(=O)C1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCC1 ZINC000598501279 357607653 /nfs/dbraw/zinc/60/76/53/357607653.db2.gz OKVFRHGLMHXBBW-UHFFFAOYSA-N 0 1 324.337 1.560 20 5 DDBDMN COc1ccc(CN[C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599020795 357796382 /nfs/dbraw/zinc/79/63/82/357796382.db2.gz USSRSCPRVNEVKI-ZDUSSCGKSA-N 0 1 319.361 1.846 20 5 DDBDMN C[C@H](CCC(C)(C)C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599239674 357859133 /nfs/dbraw/zinc/85/91/33/357859133.db2.gz YRAVLTHHYDAFGD-SECBINFHSA-N 0 1 318.399 1.821 20 5 DDBDMN CC(C)CC1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599257307 357864891 /nfs/dbraw/zinc/86/48/91/357864891.db2.gz IBDVYSYUQHWGKA-UHFFFAOYSA-N 0 1 316.383 1.433 20 5 DDBDMN COCCC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000599506787 357958412 /nfs/dbraw/zinc/95/84/12/357958412.db2.gz IDWAVERJPIRHDB-UHFFFAOYSA-N 0 1 321.377 1.942 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645767 358005042 /nfs/dbraw/zinc/00/50/42/358005042.db2.gz XBEAIFRCWCYAFR-KLPPZKSPSA-N 0 1 320.349 1.037 20 5 DDBDMN COC(=O)C1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688076 358025933 /nfs/dbraw/zinc/02/59/33/358025933.db2.gz HUBGQTLEDXBMQF-QWRGUYRKSA-N 0 1 310.354 1.453 20 5 DDBDMN O=C(NC[C@@H](n1cccn1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000600175368 358146648 /nfs/dbraw/zinc/14/66/48/358146648.db2.gz ABTIYPZRFCDCKL-SSDOTTSWSA-N 0 1 318.215 1.048 20 5 DDBDMN CCc1[nH]nc(C(=O)N2Cc3ccc(O)cc3C2)c1[N+](=O)[O-] ZINC000600228735 358163491 /nfs/dbraw/zinc/16/34/91/358163491.db2.gz QSKOARUCXJZZMS-UHFFFAOYSA-N 0 1 302.290 1.742 20 5 DDBDMN CC(C)NS(=O)(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180477360 199164578 /nfs/dbraw/zinc/16/45/78/199164578.db2.gz JRPJDYDGCUONQZ-LLVKDONJSA-N 0 1 315.395 1.573 20 5 DDBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000601583513 358611471 /nfs/dbraw/zinc/61/14/71/358611471.db2.gz BULNLEZDMKSBNN-MNOVXSKESA-N 0 1 323.324 1.015 20 5 DDBDMN C[C@@]12CN(Cc3csc([N+](=O)[O-])c3)C[C@@]1(C)C(=O)NC2=O ZINC000602733717 359155474 /nfs/dbraw/zinc/15/54/74/359155474.db2.gz YJQCFZDDWMOBKZ-STQMWFEESA-N 0 1 309.347 1.141 20 5 DDBDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC000602960499 359323073 /nfs/dbraw/zinc/32/30/73/359323073.db2.gz KOKLVZKGKPOWAQ-GFCCVEGCSA-N 0 1 321.381 1.668 20 5 DDBDMN CCOc1cc(CN2C[C@@H](OC)C[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000602964946 359328941 /nfs/dbraw/zinc/32/89/41/359328941.db2.gz WNRYUACUJOVMMJ-XJKSGUPXSA-N 0 1 324.377 1.965 20 5 DDBDMN O=C(N[C@@H]1CCC[C@@H]1CCO)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000187814809 200160514 /nfs/dbraw/zinc/16/05/14/200160514.db2.gz MYRIVOTVLIOCKE-BXKDBHETSA-N 0 1 318.333 1.752 20 5 DDBDMN COc1ccc(CN2CCN(CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187651909 200139967 /nfs/dbraw/zinc/13/99/67/200139967.db2.gz GXYGCWKPMUPKFI-LBPRGKRZSA-N 0 1 309.366 1.102 20 5 DDBDMN Cc1cc(NC(=O)NCCN2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188627121 200278236 /nfs/dbraw/zinc/27/82/36/200278236.db2.gz OJBMMHXCLNCBGR-UHFFFAOYSA-N 0 1 322.365 1.747 20 5 DDBDMN COCCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609269888 360286195 /nfs/dbraw/zinc/28/61/95/360286195.db2.gz YQHFUORAQNLHOR-ZDUSSCGKSA-N 0 1 307.350 1.435 20 5 DDBDMN CCN1CCN([C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000609288385 360288026 /nfs/dbraw/zinc/28/80/26/360288026.db2.gz PIJPTFZZEHSMPU-ZDUSSCGKSA-N 0 1 305.382 1.206 20 5 DDBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000281245621 216181499 /nfs/dbraw/zinc/18/14/99/216181499.db2.gz NVPMDFWETHUPFB-MRVPVSSYSA-N 0 1 305.294 1.603 20 5 DDBDMN CCc1[nH]nc(C(=O)N(C)Cc2ccc(OC)nc2)c1[N+](=O)[O-] ZINC000610988004 360590806 /nfs/dbraw/zinc/59/08/06/360590806.db2.gz BPUNFURVFPOYNI-UHFFFAOYSA-N 0 1 319.321 1.556 20 5 DDBDMN COC(=O)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1F ZINC000611220168 360666080 /nfs/dbraw/zinc/66/60/80/360666080.db2.gz RTEZYOLOXIVJSK-SNVBAGLBSA-N 0 1 322.252 1.101 20 5 DDBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000611234903 360671058 /nfs/dbraw/zinc/67/10/58/360671058.db2.gz ZOTVBVJASODMDY-UHFFFAOYSA-N 0 1 313.277 1.161 20 5 DDBDMN Cc1nc(CN2CCN(c3sccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000611617494 360777188 /nfs/dbraw/zinc/77/71/88/360777188.db2.gz CJENBOPVAUGYCH-UHFFFAOYSA-N 0 1 308.367 1.405 20 5 DDBDMN O=[N+]([O-])c1ccc(OCCCN2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000619784323 364148990 /nfs/dbraw/zinc/14/89/90/364148990.db2.gz SCRMHCKXJNFSDB-GASCZTMLSA-N 0 1 308.334 1.463 20 5 DDBDMN C[N@H+](CCC(=O)[O-])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000262643206 203362202 /nfs/dbraw/zinc/36/22/02/203362202.db2.gz JJOHAYOLBVETMB-UHFFFAOYSA-N 0 1 315.713 1.593 20 5 DDBDMN C[N@@H+](CCC(=O)[O-])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000262643206 203362205 /nfs/dbraw/zinc/36/22/05/203362205.db2.gz JJOHAYOLBVETMB-UHFFFAOYSA-N 0 1 315.713 1.593 20 5 DDBDMN Cc1n[nH]cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534884 193266123 /nfs/dbraw/zinc/26/61/23/193266123.db2.gz BWRWCAWEZPUBBM-LBPRGKRZSA-N 0 1 302.338 1.708 20 5 DDBDMN Cc1[nH+]ccn1CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000350684439 284242775 /nfs/dbraw/zinc/24/27/75/284242775.db2.gz YOPHZJXFFDTMEB-UHFFFAOYSA-N 0 1 304.306 1.625 20 5 DDBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CN(C)CCN1C ZINC000264654994 204057756 /nfs/dbraw/zinc/05/77/56/204057756.db2.gz PRIQNDJQIGQCBE-ZDUSSCGKSA-N 0 1 321.381 1.271 20 5 DDBDMN CCN1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000023991130 182371763 /nfs/dbraw/zinc/37/17/63/182371763.db2.gz MZTHFXKCIUDNAJ-UHFFFAOYSA-N 0 1 306.366 1.479 20 5 DDBDMN C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC[NH2+]C1 ZINC000440853053 229844918 /nfs/dbraw/zinc/84/49/18/229844918.db2.gz AXYHCMUDFHVXRL-NSHDSACASA-N 0 1 319.408 1.324 20 5 DDBDMN O=C([C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000339198966 250339737 /nfs/dbraw/zinc/33/97/37/250339737.db2.gz LQSCYYBANSSQFD-GFCCVEGCSA-N 0 1 319.361 1.745 20 5 DDBDMN CCCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000273744547 211021579 /nfs/dbraw/zinc/02/15/79/211021579.db2.gz MKAYAGBNLZYEPQ-LBPRGKRZSA-N 0 1 310.306 1.762 20 5 DDBDMN Cc1[nH]ncc1CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000340774951 251205200 /nfs/dbraw/zinc/20/52/00/251205200.db2.gz HDJQRVXLEBGAMX-UHFFFAOYSA-N 0 1 317.305 1.190 20 5 DDBDMN CN(CCOc1ccccc1[N+](=O)[O-])C1(C(N)=O)CCCC1 ZINC000120096516 195095328 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