smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn[nH]c1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000716478384 815130858 /nfs/dbraw/zinc/13/08/58/815130858.db2.gz WQLFMHYJAHIPGC-UHFFFAOYSA-N 0 3 260.297 2.225 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@@H](O)C(F)F ZINC000716730200 815144178 /nfs/dbraw/zinc/14/41/78/815144178.db2.gz JWRSUNAICDBPPX-SNVBAGLBSA-N 0 3 294.685 2.354 20 5 CEBDHN CC[C@H]1COC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833078 807866189 /nfs/dbraw/zinc/86/61/89/807866189.db2.gz FIZMFOPWNANOGP-NWDGAFQWSA-N 0 3 280.324 2.118 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C ZINC001120727621 815264350 /nfs/dbraw/zinc/26/43/50/815264350.db2.gz XWWNBQGECJQHAQ-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cc(C(=O)NC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC001120727132 815264380 /nfs/dbraw/zinc/26/43/80/815264380.db2.gz QXOLMAXPPMUANP-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncccc2Cl)C1 ZINC001168969052 811320381 /nfs/dbraw/zinc/32/03/81/811320381.db2.gz BSGBNKCTSWSUAE-UWVGGRQHSA-N 0 3 269.732 2.270 20 5 CEBDHN CC(=O)[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969529 811320611 /nfs/dbraw/zinc/32/06/11/811320611.db2.gz FEAVULIGNJXEAO-YUELXQCFSA-N 0 3 276.336 2.352 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncccc2Cl)C1 ZINC001168969053 811320770 /nfs/dbraw/zinc/32/07/70/811320770.db2.gz BSGBNKCTSWSUAE-VHSXEESVSA-N 0 3 269.732 2.270 20 5 CEBDHN COc1ccc(C[C@H](C)NCCF)c([N+](=O)[O-])c1 ZINC001170297857 812376533 /nfs/dbraw/zinc/37/65/33/812376533.db2.gz UNLKWWPTVWZNND-VIFPVBQESA-N 0 3 256.277 2.094 20 5 CEBDHN Cc1nccnc1CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226208 815629586 /nfs/dbraw/zinc/62/95/86/815629586.db2.gz WCLQZJSNEUWBRR-NSHDSACASA-N 0 3 286.335 2.414 20 5 CEBDHN C[C@H](NC[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125433178 187184885 /nfs/dbraw/zinc/18/48/85/187184885.db2.gz PEUXAJNPDXHRTA-SWLSCSKDSA-N 0 3 294.351 2.035 20 5 CEBDHN C[C@H](NC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737839 361925388 /nfs/dbraw/zinc/92/53/88/361925388.db2.gz HLSLJXQTVLHJRU-WDEREUQCSA-N 0 3 250.298 2.282 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCCCC1 ZINC000037810230 361948548 /nfs/dbraw/zinc/94/85/48/361948548.db2.gz HKORPFREXRCFJQ-UHFFFAOYSA-N 0 3 291.351 2.215 20 5 CEBDHN CC[C@@H](C)NC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000037997233 361976000 /nfs/dbraw/zinc/97/60/00/361976000.db2.gz OWOXIMMYAZTXAK-GFCCVEGCSA-N 0 3 293.367 2.298 20 5 CEBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000027350769 343392928 /nfs/dbraw/zinc/39/29/28/343392928.db2.gz UDADSANDFHMNBO-LLVKDONJSA-N 0 3 292.339 2.201 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC[C@H]2CCCO2)cs1 ZINC000038096484 343433526 /nfs/dbraw/zinc/43/35/26/343433526.db2.gz KXSPAEFLKOOCOL-SNVBAGLBSA-N 0 3 256.327 2.315 20 5 CEBDHN CNC(=O)[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075721490 343864598 /nfs/dbraw/zinc/86/45/98/343864598.db2.gz QGTYQJMHSDIPHD-RYUDHWBXSA-N 0 3 291.351 2.114 20 5 CEBDHN COCCN1CCC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088720975 344113414 /nfs/dbraw/zinc/11/34/14/344113414.db2.gz LQIZDJOALGZDIY-ZDUSSCGKSA-N 0 3 293.367 2.426 20 5 CEBDHN C[C@@H](CO)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121085821 344301349 /nfs/dbraw/zinc/30/13/49/344301349.db2.gz RDUIWBDJQWBBHF-GFCCVEGCSA-N 0 3 294.351 2.066 20 5 CEBDHN COC1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000161558576 344464798 /nfs/dbraw/zinc/46/47/98/344464798.db2.gz COXWWNDTOCFSLA-LBPRGKRZSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@@H](NCC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000211077544 344531161 /nfs/dbraw/zinc/53/11/61/344531161.db2.gz DSIPBUISWRGNMU-SNVBAGLBSA-N 0 3 250.298 2.018 20 5 CEBDHN CCn1cc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000050539635 362422362 /nfs/dbraw/zinc/42/23/62/362422362.db2.gz VENVXSDKQAMHAZ-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN CCC(CC)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000053047430 362478756 /nfs/dbraw/zinc/47/87/56/362478756.db2.gz IRPNLXWMKCUZMP-UHFFFAOYSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@@H](C[C@H]1CCCC(=O)N1)NCc1ccccc1[N+](=O)[O-] ZINC000602515990 347063561 /nfs/dbraw/zinc/06/35/61/347063561.db2.gz FSFYKAXZFJIAAV-WCQYABFASA-N 0 3 291.351 2.132 20 5 CEBDHN COc1ncc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000602557506 347075970 /nfs/dbraw/zinc/07/59/70/347075970.db2.gz KLLRFASHEMITJD-UHFFFAOYSA-N 0 3 293.348 2.392 20 5 CEBDHN Cc1ccc(CN[C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402270400 344872168 /nfs/dbraw/zinc/87/21/68/344872168.db2.gz DLQZGIACANENLU-ZYHUDNBSSA-N 0 3 250.298 2.170 20 5 CEBDHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301016 344872224 /nfs/dbraw/zinc/87/22/24/344872224.db2.gz JPKQSESOGLSPPT-CKYFFXLPSA-N 0 3 250.298 2.423 20 5 CEBDHN CC[C@H](O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000127355389 187299882 /nfs/dbraw/zinc/29/98/82/187299882.db2.gz JBNBWSUYAMNSJS-LBPRGKRZSA-N 0 3 252.314 2.154 20 5 CEBDHN CN1C[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590010792 345110303 /nfs/dbraw/zinc/11/03/03/345110303.db2.gz UJDYCTLZSJGCRE-YMTOWFKASA-N 0 3 297.305 2.009 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000590753330 345174345 /nfs/dbraw/zinc/17/43/45/345174345.db2.gz NDTCOKCEONLZTH-OLZOCXBDSA-N 0 3 292.335 2.335 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])s1 ZINC000591464207 345259099 /nfs/dbraw/zinc/25/90/99/345259099.db2.gz MXGCKXZHSXGVJP-VIFPVBQESA-N 0 3 255.343 2.187 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593068810 345433313 /nfs/dbraw/zinc/43/33/13/345433313.db2.gz PJIATGFDRAFEPM-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN CN(CCN1CCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000593883480 345548207 /nfs/dbraw/zinc/54/82/07/345548207.db2.gz NKQYHHSGYQRYGD-UHFFFAOYSA-N 0 3 291.351 2.153 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCCC[C@H]1CO ZINC000594014355 345565976 /nfs/dbraw/zinc/56/59/76/345565976.db2.gz BLOLJMZVKOLAHF-ZDUSSCGKSA-N 0 3 294.351 2.211 20 5 CEBDHN CCOc1cc(CN(C[C@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000594065130 345576849 /nfs/dbraw/zinc/57/68/49/345576849.db2.gz OSAOCIQOMFXZEV-NSHDSACASA-N 0 3 294.351 2.339 20 5 CEBDHN CC1(C)C[C@H](NC/C=C\CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071649 345739528 /nfs/dbraw/zinc/73/95/28/345739528.db2.gz PSILMJXAOMJVOP-NQHOJNORSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCC2)c(Cl)c1 ZINC000594956622 345715779 /nfs/dbraw/zinc/71/57/79/345715779.db2.gz LUOMFQJVEQSTIL-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN COC1CC(CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000594967792 345719283 /nfs/dbraw/zinc/71/92/83/345719283.db2.gz VOQGBYOGZFGJJK-UHFFFAOYSA-N 0 3 264.325 2.500 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCCC1 ZINC000595002947 345724140 /nfs/dbraw/zinc/72/41/40/345724140.db2.gz CEKRHEKXLDRNSS-GFCCVEGCSA-N 0 3 293.367 2.350 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CCO ZINC000595009883 345725896 /nfs/dbraw/zinc/72/58/96/345725896.db2.gz UEMSYFLYYCQPMV-UWVGGRQHSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[C@@H](O)C1 ZINC000595041012 345733713 /nfs/dbraw/zinc/73/37/13/345733713.db2.gz OMFIYCBCZVXVBB-DMDPSCGWSA-N 0 3 294.351 2.415 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595428693 345780142 /nfs/dbraw/zinc/78/01/42/345780142.db2.gz GOOZUOKYPJBAFL-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN Cc1c(CN2CCC[C@@H]2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000595768115 345872205 /nfs/dbraw/zinc/87/22/05/345872205.db2.gz FDSUEPZNXSBELS-BXUZGUMPSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3C[C@H]3C2)c1 ZINC000595805986 345879407 /nfs/dbraw/zinc/87/94/07/345879407.db2.gz CLXHDGNRIJXPMG-RYUDHWBXSA-N 0 3 262.309 2.315 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000596073569 345933519 /nfs/dbraw/zinc/93/35/19/345933519.db2.gz JICKHIOUPCZFQA-GHMZBOCLSA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000596073569 345933520 /nfs/dbraw/zinc/93/35/20/345933520.db2.gz JICKHIOUPCZFQA-GHMZBOCLSA-N 0 3 294.355 2.370 20 5 CEBDHN Cc1cc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])s1 ZINC000596078474 345934834 /nfs/dbraw/zinc/93/48/34/345934834.db2.gz QTZDGZWGKJQHJW-NSHDSACASA-N 0 3 299.396 2.223 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NCCCN1CCC(O)CC1 ZINC000596085286 345936150 /nfs/dbraw/zinc/93/61/50/345936150.db2.gz LVBYTITWIRYENE-UHFFFAOYSA-N 0 3 293.367 2.162 20 5 CEBDHN C[C@H](NCCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596094056 345938930 /nfs/dbraw/zinc/93/89/30/345938930.db2.gz IENQTRKFRIFFHR-JTQLQIEISA-N 0 3 256.277 2.232 20 5 CEBDHN CC(C)(C)N1CC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000596334555 346002167 /nfs/dbraw/zinc/00/21/67/346002167.db2.gz CEPSQAAMGKFGJK-SNVBAGLBSA-N 0 3 264.329 2.275 20 5 CEBDHN C[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351228 362717684 /nfs/dbraw/zinc/71/76/84/362717684.db2.gz LSBYOOXXPXCPGG-RISCZKNCSA-N 0 3 264.325 2.360 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCN2CC(F)F)c1 ZINC000598987287 346442752 /nfs/dbraw/zinc/44/27/52/346442752.db2.gz JUAFZBJQBNPBOU-CYBMUJFWSA-N 0 3 299.321 2.414 20 5 CEBDHN CCOc1ccc([C@H](C)NCC2COC2)cc1[N+](=O)[O-] ZINC000599083960 346457971 /nfs/dbraw/zinc/45/79/71/346457971.db2.gz YZDVFGOBAURWGG-JTQLQIEISA-N 0 3 280.324 2.291 20 5 CEBDHN CC[C@@H]1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599179485 346474671 /nfs/dbraw/zinc/47/46/71/346474671.db2.gz HUXBEGWGMVBHTC-NWDGAFQWSA-N 0 3 278.356 2.183 20 5 CEBDHN C/C=C\C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599692349 346569461 /nfs/dbraw/zinc/56/94/61/346569461.db2.gz VEKQUKLTPJRIIQ-ZRMMWKCHSA-N 0 3 278.356 2.470 20 5 CEBDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128442395 187371378 /nfs/dbraw/zinc/37/13/78/187371378.db2.gz FRCICQXVBHXTTQ-NWDGAFQWSA-N 0 3 284.743 2.497 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@H](O)C(F)F ZINC000601147415 346769172 /nfs/dbraw/zinc/76/91/72/346769172.db2.gz MVOVVGCFYZKKTR-NSHDSACASA-N 0 3 274.267 2.009 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCC[C@H](O)C(F)F ZINC000601147537 346769225 /nfs/dbraw/zinc/76/92/25/346769225.db2.gz QWYQOUHJJUVJKH-PYEVWLCESA-N 0 3 286.278 2.214 20 5 CEBDHN C[C@](CO)(NC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148486 346769812 /nfs/dbraw/zinc/76/98/12/346769812.db2.gz COEDBPOKUIVQAV-BXUZGUMPSA-N 0 3 296.392 2.145 20 5 CEBDHN CC(C)O[C@@H]1C[C@H](NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616200 347104910 /nfs/dbraw/zinc/10/49/10/347104910.db2.gz ILHSBKRBAGPBHO-NWDGAFQWSA-N 0 3 296.371 2.010 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CC([C@H]3CCOC3)C2)cc1 ZINC000602647378 347121869 /nfs/dbraw/zinc/12/18/69/347121869.db2.gz HVHDITAJELRPIU-ZDUSSCGKSA-N 0 3 276.336 2.106 20 5 CEBDHN CCS[C@@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602819008 347212452 /nfs/dbraw/zinc/21/24/52/347212452.db2.gz PKLCDQXXUGPENZ-VXGBXAGGSA-N 0 3 298.412 2.482 20 5 CEBDHN CC[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602738200 347179968 /nfs/dbraw/zinc/17/99/68/347179968.db2.gz AKKAVHVTSPKTRW-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)C[C@H]1C ZINC000602844482 347221436 /nfs/dbraw/zinc/22/14/36/347221436.db2.gz UABBWPJCHKVENV-SNVBAGLBSA-N 0 3 266.345 2.220 20 5 CEBDHN CC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000602845190 347222691 /nfs/dbraw/zinc/22/26/91/347222691.db2.gz GEXRLWVVNKRZCY-GHMZBOCLSA-N 0 3 266.345 2.243 20 5 CEBDHN CSCCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966107 347259053 /nfs/dbraw/zinc/25/90/53/347259053.db2.gz WYWRMBXDTHZTLV-ZDUSSCGKSA-N 0 3 284.381 2.145 20 5 CEBDHN CCOC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000604273879 347408002 /nfs/dbraw/zinc/40/80/02/347408002.db2.gz WQBKSLACDHRZPG-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](CCO)C2)cc1 ZINC000609204571 347630705 /nfs/dbraw/zinc/63/07/05/347630705.db2.gz XBWOZGWEJMIOAM-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN CC(C)(C)CN(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000609317239 347634219 /nfs/dbraw/zinc/63/42/19/347634219.db2.gz PXQIAICLKQRYGK-UHFFFAOYSA-N 0 3 266.341 2.435 20 5 CEBDHN O=[N+]([O-])c1ccccc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384309 347637774 /nfs/dbraw/zinc/63/77/74/347637774.db2.gz HWZTXRAKSGSDPO-GFCCVEGCSA-N 0 3 261.325 2.491 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN(C)C)C2)c1 ZINC000611132795 347743014 /nfs/dbraw/zinc/74/30/14/347743014.db2.gz OUTKCZMXBLAZEE-ZDUSSCGKSA-N 0 3 293.367 2.060 20 5 CEBDHN O=C(CCN1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611517545 347790042 /nfs/dbraw/zinc/79/00/42/347790042.db2.gz NPMGGVUXBBMERZ-UHFFFAOYSA-N 0 3 275.308 2.185 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000086626206 179312764 /nfs/dbraw/zinc/31/27/64/179312764.db2.gz QITRGSHJTXFMFI-KOLCDFICSA-N 0 3 252.314 2.182 20 5 CEBDHN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000459628012 290199822 /nfs/dbraw/zinc/19/98/22/290199822.db2.gz FCAWQJQPGBNRRG-KLPPZKSPSA-N 0 3 268.288 2.391 20 5 CEBDHN CC[C@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011379 179379445 /nfs/dbraw/zinc/37/94/45/179379445.db2.gz QXYKBWAEJGPLSD-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351936774 219255639 /nfs/dbraw/zinc/25/56/39/219255639.db2.gz QUCYQKWJYNASDW-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCSC1 ZINC000273390644 192135925 /nfs/dbraw/zinc/13/59/25/192135925.db2.gz JQPDYSVOFVBKDR-LLVKDONJSA-N 0 3 252.339 2.498 20 5 CEBDHN CCC[C@H](NCC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949075 180071316 /nfs/dbraw/zinc/07/13/16/180071316.db2.gz LSHXCOQUNGJKAH-CABCVRRESA-N 0 3 296.367 2.423 20 5 CEBDHN C[C@@H]1[C@H](CO)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061934 233326132 /nfs/dbraw/zinc/32/61/32/233326132.db2.gz ANLZDWHTYGTCMK-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000104954571 186033996 /nfs/dbraw/zinc/03/39/96/186033996.db2.gz AFEULRLALVVFEG-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN CC1(C2CC2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000352190086 219352506 /nfs/dbraw/zinc/35/25/06/219352506.db2.gz ORYLEUZGCHMDAJ-UHFFFAOYSA-N 0 3 278.356 2.303 20 5 CEBDHN CCOc1cc(CN(CC)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000352224186 219372516 /nfs/dbraw/zinc/37/25/16/219372516.db2.gz ZPPHHICHOWMYQH-LLVKDONJSA-N 0 3 282.340 2.196 20 5 CEBDHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070069763 363025707 /nfs/dbraw/zinc/02/57/07/363025707.db2.gz SZZFAZHGCRFHDS-JTQLQIEISA-N 0 3 297.742 2.024 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1(CO)CCCC1 ZINC000131307360 366040093 /nfs/dbraw/zinc/04/00/93/366040093.db2.gz GLFGVJRADKAHOL-UHFFFAOYSA-N 0 3 264.325 2.237 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458973 191149941 /nfs/dbraw/zinc/14/99/41/191149941.db2.gz FSIAPDURRFKWCE-IAQYHMDHSA-N 0 3 287.319 2.374 20 5 CEBDHN CCOCC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292090012 198159086 /nfs/dbraw/zinc/15/90/86/198159086.db2.gz GSJXIXOSSGRLMW-LBPRGKRZSA-N 0 3 296.367 2.207 20 5 CEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591821 191230825 /nfs/dbraw/zinc/23/08/25/191230825.db2.gz GPVCFIOGVNPMSN-HZMBPMFUSA-N 0 3 261.325 2.489 20 5 CEBDHN COCCN(C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292678702 198372928 /nfs/dbraw/zinc/37/29/28/198372928.db2.gz QWGHQUYWNOTYLC-UHFFFAOYSA-N 0 3 285.319 2.032 20 5 CEBDHN CCNC(=O)C(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158490966 188379476 /nfs/dbraw/zinc/37/94/76/188379476.db2.gz XASXRKIOFGSYTF-LLVKDONJSA-N 0 3 293.367 2.408 20 5 CEBDHN C[C@@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132940792 366182088 /nfs/dbraw/zinc/18/20/88/366182088.db2.gz GSUGUNHJPYRUPL-SLEUVZQESA-N 0 3 294.351 2.439 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000576111789 314243257 /nfs/dbraw/zinc/24/32/57/314243257.db2.gz LBPMTMCKCIESJR-RISCZKNCSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@H](O)C1 ZINC000452101028 283187234 /nfs/dbraw/zinc/18/72/34/283187234.db2.gz RJYBNWXBKKBBFR-SUNKGSAMSA-N 0 3 264.325 2.359 20 5 CEBDHN CC(C)[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000134549174 366338112 /nfs/dbraw/zinc/33/81/12/366338112.db2.gz PBWVZZDLBFCZJE-ZDUSSCGKSA-N 0 3 252.314 2.091 20 5 CEBDHN COCC[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000414478493 236376701 /nfs/dbraw/zinc/37/67/01/236376701.db2.gz GDOIJXNEJTZXPT-SECBINFHSA-N 0 3 258.343 2.419 20 5 CEBDHN C[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000216396042 540402596 /nfs/dbraw/zinc/40/25/96/540402596.db2.gz UAIPSRUPIHFVGC-GXTWGEPZSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465648 366443363 /nfs/dbraw/zinc/44/33/63/366443363.db2.gz PRSXVBCRTDROST-GXFFZTMASA-N 0 3 252.314 2.262 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000338687377 366469675 /nfs/dbraw/zinc/46/96/75/366469675.db2.gz INGYLXMQRXELKX-ZYHUDNBSSA-N 0 3 279.340 2.498 20 5 CEBDHN Cc1ccc(C(=O)N(CCN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000151787086 366665350 /nfs/dbraw/zinc/66/53/50/366665350.db2.gz RWTFEPFYWKZSSW-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCC[C@H]1O ZINC000579610979 366673331 /nfs/dbraw/zinc/67/33/31/366673331.db2.gz FSRNPUDSUQONJD-UMVBOHGHSA-N 0 3 276.336 2.475 20 5 CEBDHN CC(C)[C@@H](CO)CNCc1csc([N+](=O)[O-])c1 ZINC000342226818 216269472 /nfs/dbraw/zinc/26/94/72/216269472.db2.gz OGHNJDXRJYBJCE-SNVBAGLBSA-N 0 3 258.343 2.010 20 5 CEBDHN CC(C)(C)[C@@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000181477853 189298109 /nfs/dbraw/zinc/29/81/09/189298109.db2.gz UQMNORTXHIIRSK-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1[O-] ZINC000342299235 216299068 /nfs/dbraw/zinc/29/90/68/216299068.db2.gz LKYBPSUQJGYYSQ-ZJUUUORDSA-N 0 3 284.287 2.289 20 5 CEBDHN CC(C)NC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732952 366695734 /nfs/dbraw/zinc/69/57/34/366695734.db2.gz CPLVDNSJLHQLLZ-ZDUSSCGKSA-N 0 3 291.351 2.086 20 5 CEBDHN CC[C@@H](C)[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051720 189344466 /nfs/dbraw/zinc/34/44/66/189344466.db2.gz XZRDDKDRWVWSOP-ZJUUUORDSA-N 0 3 279.340 2.218 20 5 CEBDHN COCCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183304009 189353636 /nfs/dbraw/zinc/35/36/36/189353636.db2.gz MYWWILUOQVYFAP-UHFFFAOYSA-N 0 3 252.314 2.372 20 5 CEBDHN CC[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061794 363795320 /nfs/dbraw/zinc/79/53/20/363795320.db2.gz VTZFWMAUNXPMLM-TZMCWYRMSA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1ccc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])c1 ZINC000301804474 201208186 /nfs/dbraw/zinc/20/81/86/201208186.db2.gz DPZNXQZJQIALIK-UHFFFAOYSA-N 0 3 289.339 2.405 20 5 CEBDHN CC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013110 363840582 /nfs/dbraw/zinc/84/05/82/363840582.db2.gz WYNKBTBDGOSZEX-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000090795388 364065826 /nfs/dbraw/zinc/06/58/26/364065826.db2.gz OGHOLTIOHHYWBC-MNOVXSKESA-N 0 3 279.340 2.498 20 5 CEBDHN CC(C)[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633030 364205069 /nfs/dbraw/zinc/20/50/69/364205069.db2.gz DYAQWXCJNUXGCJ-LLVKDONJSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094797835 364296673 /nfs/dbraw/zinc/29/66/73/364296673.db2.gz SRYAVFODJRJJIF-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN CCC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000120918977 365495359 /nfs/dbraw/zinc/49/53/59/365495359.db2.gz SRBUUBIEMAOQPC-LBPRGKRZSA-N 0 3 266.345 2.303 20 5 CEBDHN C[C@]1(F)CNCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000583253157 367022655 /nfs/dbraw/zinc/02/26/55/367022655.db2.gz HWEIBJQLHQLCPG-LBPRGKRZSA-N 0 3 287.722 2.386 20 5 CEBDHN C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000341207514 367221831 /nfs/dbraw/zinc/22/18/31/367221831.db2.gz TWKZOVBKVAMQFQ-ZYHUDNBSSA-N 0 3 292.339 2.199 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000162837566 367194673 /nfs/dbraw/zinc/19/46/73/367194673.db2.gz GZSDSFNOYNYQSA-ZWNOBZJWSA-N 0 3 293.367 2.454 20 5 CEBDHN COc1cc(N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343594484 367904563 /nfs/dbraw/zinc/90/45/63/367904563.db2.gz LBNCYNSKDLNHMK-JQWIXIFHSA-N 0 3 279.340 2.498 20 5 CEBDHN CC(C)COC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346069 367900874 /nfs/dbraw/zinc/90/08/74/367900874.db2.gz IBZPLINGSPAJEM-IUODEOHRSA-N 0 3 296.367 2.279 20 5 CEBDHN COc1cc(N[C@H](C)CN(C)C)c([N+](=O)[O-])cc1F ZINC000343807435 368014364 /nfs/dbraw/zinc/01/43/64/368014364.db2.gz OFHJAJZGNXJAPU-MRVPVSSYSA-N 0 3 271.292 2.105 20 5 CEBDHN C[C@@H](NCCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000175770349 368175523 /nfs/dbraw/zinc/17/55/23/368175523.db2.gz XBFVXAIHLYCVQG-GFCCVEGCSA-N 0 3 291.351 2.258 20 5 CEBDHN CNC(=O)[C@H](C)CN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182823512 368593773 /nfs/dbraw/zinc/59/37/73/368593773.db2.gz VZEMMVNZFXUZJC-NEPJUHHUSA-N 0 3 293.367 2.278 20 5 CEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000184736785 368716000 /nfs/dbraw/zinc/71/60/00/368716000.db2.gz FKQDPUFOMOYMID-GHMZBOCLSA-N 0 3 280.324 2.272 20 5 CEBDHN COc1cccc(N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000185425257 368805622 /nfs/dbraw/zinc/80/56/22/368805622.db2.gz QNNNIVZPRHKOOG-GFCCVEGCSA-N 0 3 293.367 2.381 20 5 CEBDHN CC[C@@H]1[C@H](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678321 368841391 /nfs/dbraw/zinc/84/13/91/368841391.db2.gz SHXZWVQWSUDYRK-ZWNOBZJWSA-N 0 3 291.351 2.314 20 5 CEBDHN CN(CCN(C)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185981398 368898536 /nfs/dbraw/zinc/89/85/36/368898536.db2.gz KQTSCWGQBFJAQO-UHFFFAOYSA-N 0 3 292.339 2.153 20 5 CEBDHN CC1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186952286 369073941 /nfs/dbraw/zinc/07/39/41/369073941.db2.gz PJLFBGBTUIMTLQ-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN COc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000189123154 369462144 /nfs/dbraw/zinc/46/21/44/369462144.db2.gz CCCRTUYCXVHVOS-VHSXEESVSA-N 0 3 268.313 2.116 20 5 CEBDHN CO[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000189322093 369496881 /nfs/dbraw/zinc/49/68/81/369496881.db2.gz KAOQFAFUQVBSSQ-DOMZBBRYSA-N 0 3 294.351 2.330 20 5 CEBDHN C[C@@H]1CC(O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000191269444 369697189 /nfs/dbraw/zinc/69/71/89/369697189.db2.gz APCZWYPXOZXHMV-BVUQATHDSA-N 0 3 264.325 2.329 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCCC1 ZINC000192470261 369816803 /nfs/dbraw/zinc/81/68/03/369816803.db2.gz YPMQSVOEEOUROT-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@H]1C ZINC000192131113 369775364 /nfs/dbraw/zinc/77/53/64/369775364.db2.gz RSUBBNGWOYUKOS-ZWNOBZJWSA-N 0 3 280.324 2.118 20 5 CEBDHN COc1cc(CN2C[C@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352768207 369875587 /nfs/dbraw/zinc/87/55/87/369875587.db2.gz GJLONAAQRPMAMM-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN NC(=O)c1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194416452 370037064 /nfs/dbraw/zinc/03/70/64/370037064.db2.gz OMHOUGCASSYHLG-UHFFFAOYSA-N 0 3 299.330 2.026 20 5 CEBDHN C[C@H](NC[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000219162431 370221220 /nfs/dbraw/zinc/22/12/20/370221220.db2.gz JVGOBVQSWAKVDQ-NWDGAFQWSA-N 0 3 263.341 2.340 20 5 CEBDHN CCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000226253189 370333540 /nfs/dbraw/zinc/33/35/40/370333540.db2.gz TVKKSKVISNIVCG-CYBMUJFWSA-N 0 3 252.314 2.236 20 5 CEBDHN Cc1c(CN2CC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000228166156 370399397 /nfs/dbraw/zinc/39/93/97/370399397.db2.gz MLXOOPVBUCHVSO-WCQYABFASA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1c(CN2CC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000228166170 370399585 /nfs/dbraw/zinc/39/95/85/370399585.db2.gz MLXOOPVBUCHVSO-AAEUAGOBSA-N 0 3 264.325 2.106 20 5 CEBDHN CCC[C@](C)(N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856588 370495978 /nfs/dbraw/zinc/49/59/78/370495978.db2.gz INOFMJJHKGLJMJ-AWEZNQCLSA-N 0 3 279.340 2.037 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247385196 371101088 /nfs/dbraw/zinc/10/10/88/371101088.db2.gz QAEKURRIHCGHSW-BXUZGUMPSA-N 0 3 291.351 2.053 20 5 CEBDHN C[C@H](C[S@](C)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248443366 371196588 /nfs/dbraw/zinc/19/65/88/371196588.db2.gz BCTSYEQMDGZFFD-MHNGPXOMSA-N 0 3 270.354 2.012 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252538441 371455249 /nfs/dbraw/zinc/45/52/49/371455249.db2.gz AODNJKHTYOVYTB-UONOGXRCSA-N 0 3 291.351 2.178 20 5 CEBDHN CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000265654218 372025857 /nfs/dbraw/zinc/02/58/57/372025857.db2.gz ZMJUSZJXMKFBLJ-ZDUSSCGKSA-N 0 3 293.367 2.331 20 5 CEBDHN CC1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269674891 372529948 /nfs/dbraw/zinc/52/99/48/372529948.db2.gz VWSMZXKFEYNCEN-ZDUSSCGKSA-N 0 3 264.325 2.360 20 5 CEBDHN COc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000270170654 372687673 /nfs/dbraw/zinc/68/76/73/372687673.db2.gz UHVCLXQWJZVKEU-JSGCOSHPSA-N 0 3 294.351 2.196 20 5 CEBDHN CC(C)=CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364341224 372732759 /nfs/dbraw/zinc/73/27/59/372732759.db2.gz TZHOWWQQQPMXFN-GFCCVEGCSA-N 0 3 264.329 2.394 20 5 CEBDHN CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270651147 372884013 /nfs/dbraw/zinc/88/40/13/372884013.db2.gz LVIUXZFMGDGKRW-KGLIPLIRSA-N 0 3 295.408 2.072 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000353502673 220124013 /nfs/dbraw/zinc/12/40/13/220124013.db2.gz GGGIGYPSGHKVIK-VURMDHGXSA-N 0 3 264.325 2.311 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)C(F)F ZINC000344991285 217379070 /nfs/dbraw/zinc/37/90/70/217379070.db2.gz XVENICPSSAQNBC-DJTUGOFGSA-N 0 3 286.278 2.214 20 5 CEBDHN C[C@@H](CCCCO)NCc1ccccc1[N+](=O)[O-] ZINC000272490670 373513378 /nfs/dbraw/zinc/51/33/78/373513378.db2.gz UJTBFVOKFRSGBH-NSHDSACASA-N 0 3 252.314 2.236 20 5 CEBDHN CC(C)N(CCN(C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000277780879 193757454 /nfs/dbraw/zinc/75/74/54/193757454.db2.gz MFRWPWWEYCTJIK-UHFFFAOYSA-N 0 3 286.763 2.420 20 5 CEBDHN CCOc1cc(CN2CC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276964006 374361758 /nfs/dbraw/zinc/36/17/58/374361758.db2.gz VVLZTNPWQGWLBZ-YPMHNXCESA-N 0 3 294.351 2.196 20 5 CEBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000377705512 374928460 /nfs/dbraw/zinc/92/84/60/374928460.db2.gz OSFPSFVMGCTHRS-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN COc1ccc(CN[C@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000289675671 376441754 /nfs/dbraw/zinc/44/17/54/376441754.db2.gz CCCRTUYCXVHVOS-ZJUUUORDSA-N 0 3 268.313 2.116 20 5 CEBDHN CC[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000289779380 376496673 /nfs/dbraw/zinc/49/66/73/376496673.db2.gz KJFUTIKOVZYRTQ-LBPRGKRZSA-N 0 3 252.314 2.418 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@@H](CO)C1 ZINC000311325441 376663761 /nfs/dbraw/zinc/66/37/61/376663761.db2.gz BLKCMFYEXVIEOW-YPMHNXCESA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CN1C1CC1 ZINC000290495214 376803179 /nfs/dbraw/zinc/80/31/79/376803179.db2.gz AHUGEGMWSCJKPG-RKDXNWHRSA-N 0 3 294.330 2.353 20 5 CEBDHN N[C@@H]1CCCc2cn(Cc3ccccc3[N+](=O)[O-])nc21 ZINC000564840933 377474066 /nfs/dbraw/zinc/47/40/66/377474066.db2.gz ZIAJYWCIVLTNSE-GFCCVEGCSA-N 0 3 272.308 2.176 20 5 CEBDHN Cc1c([C@@H](C)NC[C@H]2CC[C@@H](CO)O2)cccc1[N+](=O)[O-] ZINC000293788095 377758057 /nfs/dbraw/zinc/75/80/57/377758057.db2.gz UCQUBAZFAHGJFV-UPJWGTAASA-N 0 3 294.351 2.094 20 5 CEBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295317512 378102037 /nfs/dbraw/zinc/10/20/37/378102037.db2.gz SIRGYNQIZUWNIO-UHFFFAOYSA-N 0 3 299.758 2.238 20 5 CEBDHN C[C@@H](N[C@@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602351 378588480 /nfs/dbraw/zinc/58/84/80/378588480.db2.gz VRTHLVWJKIQDII-NOZJJQNGSA-N 0 3 279.340 2.395 20 5 CEBDHN Cc1c(CN[C@@H](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000453209539 378829467 /nfs/dbraw/zinc/82/94/67/378829467.db2.gz LPKGYPLYFQKSIC-NSHDSACASA-N 0 3 286.335 2.414 20 5 CEBDHN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000347264060 218174118 /nfs/dbraw/zinc/17/41/18/218174118.db2.gz NHSBMMADDUNGIA-BXUZGUMPSA-N 0 3 292.335 2.287 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000278851647 194183088 /nfs/dbraw/zinc/18/30/88/194183088.db2.gz QLLZPXUGNJLWFB-SLEUVZQESA-N 0 3 294.351 2.094 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000278881380 194195102 /nfs/dbraw/zinc/19/51/02/194195102.db2.gz ZOIWWYUIISAMFP-SNVBAGLBSA-N 0 3 290.241 2.492 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000301293814 379248413 /nfs/dbraw/zinc/24/84/13/379248413.db2.gz OKBYWKAAPIUXSQ-GFCCVEGCSA-N 0 3 263.341 2.373 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000517027754 379337294 /nfs/dbraw/zinc/33/72/94/379337294.db2.gz RSXMMGOPXCJPME-OCCSQVGLSA-N 0 3 262.309 2.206 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000457204602 379712934 /nfs/dbraw/zinc/71/29/34/379712934.db2.gz JSOYOXISXJTPBE-UHFFFAOYSA-N 0 3 299.758 2.318 20 5 CEBDHN Cc1cc(C(=O)NC2(CN(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000281096914 195103313 /nfs/dbraw/zinc/10/33/13/195103313.db2.gz PRFAKYJUEQWHEN-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H](N2CCCC2)C1 ZINC000302823452 285119078 /nfs/dbraw/zinc/11/90/78/285119078.db2.gz UTMTZBDGXNJYPK-GFCCVEGCSA-N 0 3 279.315 2.408 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN(C)C ZINC000289153382 197248065 /nfs/dbraw/zinc/24/80/65/197248065.db2.gz VORJBYHCWJYHNW-JTQLQIEISA-N 0 3 294.355 2.283 20 5 CEBDHN CCCN1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000301273940 394459386 /nfs/dbraw/zinc/45/93/86/394459386.db2.gz IGRXJQOCQFSQNY-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N(C)C ZINC000413052581 394475031 /nfs/dbraw/zinc/47/50/31/394475031.db2.gz MMWAICDHBDPBAN-SSDOTTSWSA-N 0 3 292.261 2.371 20 5 CEBDHN Cc1cccc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000421707982 394572112 /nfs/dbraw/zinc/57/21/12/394572112.db2.gz YUDNDJZLWSLKBY-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H](N[C@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398873 394720405 /nfs/dbraw/zinc/72/04/05/394720405.db2.gz JUGLYUPGAQABLU-MDZLAQPJSA-N 0 3 263.341 2.196 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000422632908 394722314 /nfs/dbraw/zinc/72/23/14/394722314.db2.gz NKWPKPRXEUOEBN-NEPJUHHUSA-N 0 3 291.351 2.034 20 5 CEBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000271760768 394762930 /nfs/dbraw/zinc/76/29/30/394762930.db2.gz YOPIDZDKKIZRLM-UHFFFAOYSA-N 0 3 289.257 2.364 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](C)C1 ZINC000362073418 394843648 /nfs/dbraw/zinc/84/36/48/394843648.db2.gz WJQHOJJZAJVCBB-GRYCIOLGSA-N 0 3 264.325 2.216 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCNCC1(F)F ZINC000415011371 394848530 /nfs/dbraw/zinc/84/85/30/394848530.db2.gz ZYRSIVBWJDIGPE-GFCCVEGCSA-N 0 3 299.321 2.238 20 5 CEBDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482809 394930556 /nfs/dbraw/zinc/93/05/56/394930556.db2.gz RBLQMRDDSWDBGX-SKDRFNHKSA-N 0 3 285.294 2.243 20 5 CEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCN1 ZINC000423842226 395000604 /nfs/dbraw/zinc/00/06/04/395000604.db2.gz KCYWXQALIMYUTI-GFCCVEGCSA-N 0 3 297.742 2.007 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000342609286 395017786 /nfs/dbraw/zinc/01/77/86/395017786.db2.gz UYOPRKHCQSBCIQ-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@@H](CC(N)=O)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433304582 395219767 /nfs/dbraw/zinc/21/97/67/395219767.db2.gz NGLMYAXQGKHCPE-ZANVPECISA-N 0 3 291.351 2.171 20 5 CEBDHN CC(C)C[C@@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000185368783 395279508 /nfs/dbraw/zinc/27/95/08/395279508.db2.gz GVULWJJTVGHBSR-ZDUSSCGKSA-N 0 3 296.367 2.312 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000353331886 395294169 /nfs/dbraw/zinc/29/41/69/395294169.db2.gz WVTILOZJTQYAQD-OAHLLOKOSA-N 0 3 275.352 2.263 20 5 CEBDHN CN1CC[C@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000187681583 395303633 /nfs/dbraw/zinc/30/36/33/395303633.db2.gz MSDQRYVCNFXVRV-VIFPVBQESA-N 0 3 253.327 2.034 20 5 CEBDHN CC(C)(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000193067224 395400989 /nfs/dbraw/zinc/40/09/89/395400989.db2.gz QECQJSDSJUAEMB-CYBMUJFWSA-N 0 3 291.351 2.073 20 5 CEBDHN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449508280 395551747 /nfs/dbraw/zinc/55/17/47/395551747.db2.gz UXSGCBITSIFMIB-BXUZGUMPSA-N 0 3 264.325 2.452 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(C)CCC(=O)N1 ZINC000574401899 395629406 /nfs/dbraw/zinc/62/94/06/395629406.db2.gz AOZNWLJODNBVMF-NHYWBVRUSA-N 0 3 291.351 2.223 20 5 CEBDHN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000221345561 153312732 /nfs/dbraw/zinc/31/27/32/153312732.db2.gz FYOVKMXAOHMGJU-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@H]1CCOCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000375003796 157038389 /nfs/dbraw/zinc/03/83/89/157038389.db2.gz LODFOPOLHLYSPM-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN CC[C@H](NCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148654012 162300694 /nfs/dbraw/zinc/30/06/94/162300694.db2.gz KXCKQSWPDOTNRF-ZDUSSCGKSA-N 0 3 289.339 2.007 20 5 CEBDHN C[C@H](CN(C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000169015802 165036418 /nfs/dbraw/zinc/03/64/18/165036418.db2.gz PYZGOVDMSWYXEL-SSDOTTSWSA-N 0 3 258.709 2.005 20 5 CEBDHN CN1CCC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000044538026 175200005 /nfs/dbraw/zinc/20/00/05/175200005.db2.gz WFHVRQLIGRNCDC-SNVBAGLBSA-N 0 3 267.304 2.488 20 5 CEBDHN Cc1c(C(=O)N(C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000046468561 175397070 /nfs/dbraw/zinc/39/70/70/175397070.db2.gz CEDVRZGYVBIRJF-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H](CN1CCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000078428159 177340813 /nfs/dbraw/zinc/34/08/13/177340813.db2.gz WYWZLGWWAUZVNU-SNVBAGLBSA-N 0 3 297.380 2.261 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cnn(C)c1 ZINC000449095005 260211087 /nfs/dbraw/zinc/21/10/87/260211087.db2.gz VMRKCHRJCYJKQV-LLVKDONJSA-N 0 3 274.324 2.049 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CO)[C@@H]1C ZINC000425969676 264249036 /nfs/dbraw/zinc/24/90/36/264249036.db2.gz XEVBIEAPTITTRG-AAEUAGOBSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1c(CN2C[C@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000398885815 270364475 /nfs/dbraw/zinc/36/44/75/270364475.db2.gz BXLRHLCMGIGSJQ-YPMHNXCESA-N 0 3 278.352 2.354 20 5 CEBDHN CS[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000347796701 278167596 /nfs/dbraw/zinc/16/75/96/278167596.db2.gz VMCOGHPWVWUSAN-KBPBESRZSA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230197 278290695 /nfs/dbraw/zinc/29/06/95/278290695.db2.gz ZXWGHRUZMHQZBQ-TVQRCGJNSA-N 0 3 264.325 2.288 20 5 CEBDHN Cc1cccc(NCCNCc2ccccc2[N+](=O)[O-])n1 ZINC000133467179 279998694 /nfs/dbraw/zinc/99/86/94/279998694.db2.gz NXWBUOWHERSLHY-UHFFFAOYSA-N 0 3 286.335 2.500 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(CC(C)C)CC2)n1 ZINC000363788134 281011087 /nfs/dbraw/zinc/01/10/87/281011087.db2.gz YRTJYXCQRMBYOU-UHFFFAOYSA-N 0 3 292.383 2.466 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208078 290160559 /nfs/dbraw/zinc/16/05/59/290160559.db2.gz PTQRIEDSZDAXEA-BXUZGUMPSA-N 0 3 261.325 2.125 20 5 CEBDHN C[C@@H](Cn1cccn1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670570 297580143 /nfs/dbraw/zinc/58/01/43/297580143.db2.gz PWPSHXKPQKEVES-SMDDNHRTSA-N 0 3 286.335 2.457 20 5 CEBDHN COC(C)(C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000531575559 298111749 /nfs/dbraw/zinc/11/17/49/298111749.db2.gz BLQRWXFBFJFCPL-UHFFFAOYSA-N 0 3 252.314 2.452 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(O)CCC1 ZINC000531714842 298117180 /nfs/dbraw/zinc/11/71/80/298117180.db2.gz WZLCNVZZQKFJCU-LLVKDONJSA-N 0 3 264.325 2.469 20 5 CEBDHN CCc1nncn1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000546678988 298357349 /nfs/dbraw/zinc/35/73/49/298357349.db2.gz VCQCMHMEZPGJKX-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000566305289 298965723 /nfs/dbraw/zinc/96/57/23/298965723.db2.gz WMCOEHJJLGVNLO-FZMZJTMJSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CCN(C)C[C@H]32)n1 ZINC000408172668 301205035 /nfs/dbraw/zinc/20/50/35/301205035.db2.gz ZCDPSGSYAVUSRD-QWHCGFSZSA-N 0 3 290.367 2.137 20 5 CEBDHN C[C@H]1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000524771241 313142802 /nfs/dbraw/zinc/14/28/02/313142802.db2.gz HSBWAPZZLCPXDG-NSHDSACASA-N 0 3 292.339 2.058 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000067651435 522911559 /nfs/dbraw/zinc/91/15/59/522911559.db2.gz VBMCWLWSNXMXHT-CQSZACIVSA-N 0 3 280.324 2.084 20 5 CEBDHN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458498 523069868 /nfs/dbraw/zinc/06/98/68/523069868.db2.gz ZMAISRUUDNGVCE-UHFFFAOYSA-N 0 3 280.324 2.368 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)c2nonc21 ZINC000049575268 527364087 /nfs/dbraw/zinc/36/40/87/527364087.db2.gz VITYUPWCXDBHBO-UHFFFAOYSA-N 0 3 291.311 2.029 20 5 CEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@H]3CCC=CO3)C2)c1 ZINC000365337981 527417050 /nfs/dbraw/zinc/41/70/50/527417050.db2.gz RNSPJXJUVQBBHE-GXTWGEPZSA-N 0 3 292.339 2.121 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC[C@H]1C ZINC000742236759 575012381 /nfs/dbraw/zinc/01/23/81/575012381.db2.gz FQJHWZCZGWDUHN-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccs2)c1 ZINC000749645865 575228384 /nfs/dbraw/zinc/22/83/84/575228384.db2.gz IILSZLQFXFXWDE-ZDUSSCGKSA-N 0 3 278.333 2.480 20 5 CEBDHN Cc1ccccc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102196 623018397 /nfs/dbraw/zinc/01/83/97/623018397.db2.gz PCHUAGZDYDBYFT-SNVBAGLBSA-N 0 3 269.322 2.296 20 5 CEBDHN CC(COC(=O)CCc1cccc(F)c1F)[N+](=O)[O-] ZINC000813108720 623041961 /nfs/dbraw/zinc/04/19/61/623041961.db2.gz AANJDPDGXKCUTO-QMMMGPOBSA-N 0 3 273.235 2.106 20 5 CEBDHN CO[C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050370382 623402487 /nfs/dbraw/zinc/40/24/87/623402487.db2.gz YFFLINBGNHXNCC-AAEUAGOBSA-N 0 3 250.298 2.252 20 5 CEBDHN CN(C)CC1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000923773491 624337998 /nfs/dbraw/zinc/33/79/98/624337998.db2.gz LKQRSILUEONBBT-UHFFFAOYSA-N 0 3 288.307 2.238 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@]1(C)c1ccccc1)[N+](=O)[O-] ZINC000893044460 627964586 /nfs/dbraw/zinc/96/45/86/627964586.db2.gz IZTRVDOZRIQXJR-SCDSUCTJSA-N 0 3 263.293 2.173 20 5 CEBDHN Cc1cc(C)c(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000893046924 627967759 /nfs/dbraw/zinc/96/77/59/627967759.db2.gz HTHYKJOVPVLNNT-MRVPVSSYSA-N 0 3 257.311 2.116 20 5 CEBDHN Cc1cc(N2CC[C@@H]3CN(C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940339 629055651 /nfs/dbraw/zinc/05/56/51/629055651.db2.gz MWNJFIXSTWEBOB-QMTHXVAHSA-N 0 3 279.315 2.183 20 5 CEBDHN C[C@H]1CCCN1CCNc1ncc([N+](=O)[O-])cc1F ZINC000840268846 632586179 /nfs/dbraw/zinc/58/61/79/632586179.db2.gz IHBMCAXCEPZJLL-VIFPVBQESA-N 0 3 268.292 2.025 20 5 CEBDHN CC(COC(=O)CCCOc1ccccc1)[N+](=O)[O-] ZINC000813100039 632620861 /nfs/dbraw/zinc/62/08/61/632620861.db2.gz KNIIGWUPXVUKHG-LLVKDONJSA-N 0 3 267.281 2.054 20 5 CEBDHN CCCOc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103128 632621970 /nfs/dbraw/zinc/62/19/70/632621970.db2.gz OFCOBPAAGNDEMV-NSHDSACASA-N 0 3 297.307 2.063 20 5 CEBDHN COc1ccccc1/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813102537 632622181 /nfs/dbraw/zinc/62/21/81/632622181.db2.gz RLMNBNAGYKVISS-RJCSOLBVSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)[N+](=O)[O-] ZINC000813103734 632622410 /nfs/dbraw/zinc/62/24/10/632622410.db2.gz GQVFUXCMBDVYAT-BCMRRPTOSA-N 0 3 285.246 2.277 20 5 CEBDHN CC(COC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813106318 632623415 /nfs/dbraw/zinc/62/34/15/632623415.db2.gz APICWDURMPFQHW-GHMZBOCLSA-N 0 3 293.319 2.151 20 5 CEBDHN CC(COC(=O)c1cc(Br)cs1)[N+](=O)[O-] ZINC000813105328 632623945 /nfs/dbraw/zinc/62/39/45/632623945.db2.gz LXLWTVHMBZJRMK-YFKPBYRVSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(COC(=O)c1ccc(-n2cccc2)cc1)[N+](=O)[O-] ZINC000813109212 632625264 /nfs/dbraw/zinc/62/52/64/632625264.db2.gz GYWQOCDVMGVJJG-LLVKDONJSA-N 0 3 274.276 2.299 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813108981 632625321 /nfs/dbraw/zinc/62/53/21/632625321.db2.gz NJCQJJGEWQENBX-YUMQZZPRSA-N 0 3 251.229 2.020 20 5 CEBDHN Cc1cc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813108063 632625992 /nfs/dbraw/zinc/62/59/92/632625992.db2.gz UUCGGWMXDPDJQM-GFCCVEGCSA-N 0 3 265.309 2.363 20 5 CEBDHN CC(COC(=O)Cc1cc2ccccc2o1)[N+](=O)[O-] ZINC000813110284 632626316 /nfs/dbraw/zinc/62/63/16/632626316.db2.gz WNHHBMRNTDUDQG-SECBINFHSA-N 0 3 263.249 2.184 20 5 CEBDHN CC(COC(=O)c1cscc1Br)[N+](=O)[O-] ZINC000813109597 632626327 /nfs/dbraw/zinc/62/63/27/632626327.db2.gz MVKGVWQHDPKEPV-YFKPBYRVSA-N 0 3 294.126 2.333 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000813110101 632626794 /nfs/dbraw/zinc/62/67/94/632626794.db2.gz ZIVOMZCGTLRKDU-OLKPEBQYSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(COC(=O)CCCOc1cccc(F)c1)[N+](=O)[O-] ZINC000813112487 632627473 /nfs/dbraw/zinc/62/74/73/632627473.db2.gz QQIHQOGDHLOFAD-SNVBAGLBSA-N 0 3 285.271 2.193 20 5 CEBDHN CC(COC(=O)c1ccccc1OC1CCC1)[N+](=O)[O-] ZINC000813112805 632628370 /nfs/dbraw/zinc/62/83/70/632628370.db2.gz LOSWJDXLBUFZKO-SNVBAGLBSA-N 0 3 279.292 2.440 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CCC(C)C ZINC000813115411 632629559 /nfs/dbraw/zinc/62/95/59/632629559.db2.gz RFIYGLFFDHVWTK-JTQLQIEISA-N 0 3 283.328 2.060 20 5 CEBDHN COc1cc(Cl)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000816090933 633115606 /nfs/dbraw/zinc/11/56/06/633115606.db2.gz DNZTXSYKNIGUDK-SSDOTTSWSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)c1cc(F)ccc1Cl)[N+](=O)[O-] ZINC000816091185 633115629 /nfs/dbraw/zinc/11/56/29/633115629.db2.gz NPXDQHKBDOVQRX-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN CC(COC(=O)c1ccc(OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000816091233 633115687 /nfs/dbraw/zinc/11/56/87/633115687.db2.gz OWAKHCVGQJEPFA-VIFPVBQESA-N 0 3 282.296 2.081 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCC[C@H]1O ZINC000323634650 633420668 /nfs/dbraw/zinc/42/06/68/633420668.db2.gz FXBCONMQMMXIBP-ZYHUDNBSSA-N 0 3 270.716 2.251 20 5 CEBDHN Cc1cnccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819248356 634116850 /nfs/dbraw/zinc/11/68/50/634116850.db2.gz XTQYUFVRCHMXMX-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN COC[C@@H](C)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056003 634948356 /nfs/dbraw/zinc/94/83/56/634948356.db2.gz OVRHCDWHENMROL-NXEZZACHSA-N 0 3 268.313 2.289 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2C[C@@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153892 634991749 /nfs/dbraw/zinc/99/17/49/634991749.db2.gz PJKVJZFDKNJRHX-CUOATXAZSA-N 0 3 294.351 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H](O)C1CC1 ZINC000903411737 635105425 /nfs/dbraw/zinc/10/54/25/635105425.db2.gz QTWSRDIFBAJPDW-YGRLFVJLSA-N 0 3 294.351 2.415 20 5 CEBDHN Cc1nc(C(C)C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835453914 638262071 /nfs/dbraw/zinc/26/20/71/638262071.db2.gz IEHDYEOCIHXAHR-SECBINFHSA-N 0 3 266.297 2.335 20 5 CEBDHN CC[C@@H](CC(F)(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000835457653 638264302 /nfs/dbraw/zinc/26/43/02/638264302.db2.gz XZIPQDQFPRRJIE-BQBZGAKWSA-N 0 3 257.208 2.173 20 5 CEBDHN COCCCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000841689852 639838644 /nfs/dbraw/zinc/83/86/44/639838644.db2.gz HBZXPYFWBTWSAN-UHFFFAOYSA-N 0 3 292.339 2.260 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000844472332 640741962 /nfs/dbraw/zinc/74/19/62/640741962.db2.gz WJKCMTVGLIOQBO-OLZOCXBDSA-N 0 3 298.289 2.359 20 5 CEBDHN O=[N+]([O-])c1ccc(SCCN2CCCC2)nc1 ZINC000918755407 640989795 /nfs/dbraw/zinc/98/97/95/640989795.db2.gz CAKGBACVMOEPMO-UHFFFAOYSA-N 0 3 253.327 2.178 20 5 CEBDHN Cc1c(CN2CC([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000877488327 650746479 /nfs/dbraw/zinc/74/64/79/650746479.db2.gz FBDRQVXIORUZDD-CYBMUJFWSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@@H](C)CO ZINC000877527174 650768479 /nfs/dbraw/zinc/76/84/79/650768479.db2.gz PRRQXMAGXNJCSS-JTQLQIEISA-N 0 3 252.314 2.024 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)c1ccnc(CO)c1 ZINC000858531839 645193457 /nfs/dbraw/zinc/19/34/57/645193457.db2.gz BYAMWUCEBRDPOG-UHFFFAOYSA-N 0 3 287.319 2.161 20 5 CEBDHN CC[S@](=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528013 645294476 /nfs/dbraw/zinc/29/44/76/645294476.db2.gz XFJQYUXHZZQRCF-SFHVURJKSA-N 0 3 290.772 2.106 20 5 CEBDHN CC[S@](=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943991 645824953 /nfs/dbraw/zinc/82/49/53/645824953.db2.gz NLXGNYXOSBVYAE-WLRWDXFRSA-N 0 3 284.381 2.322 20 5 CEBDHN CC[S@](=O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182149 646814810 /nfs/dbraw/zinc/81/48/10/646814810.db2.gz JAZBICRXFLHNST-VLIAUNLRSA-N 0 3 296.392 2.330 20 5 CEBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776593083 647076843 /nfs/dbraw/zinc/07/68/43/647076843.db2.gz VYIOBNXHWCSFCB-CYBMUJFWSA-N 0 3 296.392 2.456 20 5 CEBDHN COC1(C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776605571 647078883 /nfs/dbraw/zinc/07/88/83/647078883.db2.gz MTRWOJOJVUGUPH-AWEZNQCLSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(COC(=O)[C@H]1Cc2ccc(Cl)cc21)[N+](=O)[O-] ZINC000870378413 648790302 /nfs/dbraw/zinc/79/03/02/648790302.db2.gz WPAVJCHNPOZYPA-CPCISQLKSA-N 0 3 269.684 2.188 20 5 CEBDHN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CCC1(C)C ZINC000871150999 649011878 /nfs/dbraw/zinc/01/18/78/649011878.db2.gz VFMNHOVAYZFDFB-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1c(CNCCNC(=O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873044047 649541437 /nfs/dbraw/zinc/54/14/37/649541437.db2.gz AAKCCYUJXVWKLO-UHFFFAOYSA-N 0 3 293.367 2.155 20 5 CEBDHN CO[C@@H]1CC[C@@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322452 651285298 /nfs/dbraw/zinc/28/52/98/651285298.db2.gz TYUAWSOFUUYDRA-DFBGVHRSSA-N 0 3 294.351 2.128 20 5 CEBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001227185804 805876990 /nfs/dbraw/zinc/87/69/90/805876990.db2.gz ZCOHGEHIAZNTNY-LLVKDONJSA-N 0 3 266.297 2.076 20 5 CEBDHN Cc1nc(N)ccc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167785927 804163651 /nfs/dbraw/zinc/16/36/51/804163651.db2.gz HFBQCTLBWQNBEB-UHFFFAOYSA-N 0 3 299.334 2.096 20 5 CEBDHN C[C@H](NC[C@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570078 807247390 /nfs/dbraw/zinc/24/73/90/807247390.db2.gz NXHNDKQSIGELMM-UFBFGSQYSA-N 0 3 274.267 2.262 20 5 CEBDHN C[C@H](NC[C@@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570075 807247639 /nfs/dbraw/zinc/24/76/39/807247639.db2.gz NXHNDKQSIGELMM-QPUJVOFHSA-N 0 3 274.267 2.262 20 5 CEBDHN CON1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000709385985 809961014 /nfs/dbraw/zinc/96/10/14/809961014.db2.gz XZMQYUDDKPWBSE-UHFFFAOYSA-N 0 3 299.758 2.364 20 5 CEBDHN Cc1ccc(C2(N[C@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974514 811323542 /nfs/dbraw/zinc/32/35/42/811323542.db2.gz RBNYSFJHQNBLID-ZFWWWQNUSA-N 0 3 290.363 2.256 20 5 CEBDHN CN(Cc1cncs1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046693 811355086 /nfs/dbraw/zinc/35/50/86/811355086.db2.gz LVJGUUUJYXZELU-VHSXEESVSA-N 0 3 255.343 2.020 20 5 CEBDHN C[C@@H](N)c1ccn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)n1 ZINC001169230997 811443715 /nfs/dbraw/zinc/44/37/15/811443715.db2.gz CNJHJQMYPPBFRK-MRVPVSSYSA-N 0 3 271.280 2.282 20 5 CEBDHN C[C@H](N)c1ccn(-c2ccnc3c2cccc3[N+](=O)[O-])n1 ZINC001169235665 811454950 /nfs/dbraw/zinc/45/49/50/811454950.db2.gz YYXPVONIAQQNAX-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN CC(C)(C)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123611380 815537254 /nfs/dbraw/zinc/53/72/54/815537254.db2.gz FDCFZHAGXQFWHS-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN Cc1cc(Cl)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158349663 812669122 /nfs/dbraw/zinc/66/91/22/812669122.db2.gz VCDNIFSJOUAFDH-SSDOTTSWSA-N 0 3 281.703 2.157 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(C)n1 ZINC001173218271 815624438 /nfs/dbraw/zinc/62/44/38/815624438.db2.gz PKGDDMGWBLGZFO-NSHDSACASA-N 0 3 274.324 2.049 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@H](CO)CC1 ZINC000294964152 199273057 /nfs/dbraw/zinc/27/30/57/199273057.db2.gz CQFOPHUMFWLVFH-AULYBMBSSA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@H](CCO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000096832935 185115894 /nfs/dbraw/zinc/11/58/94/185115894.db2.gz ZPVYZHOGKFFYJF-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN CC[C@H](CO)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721144 361852227 /nfs/dbraw/zinc/85/22/27/361852227.db2.gz LQSJEGWTTKKUMC-DGCLKSJQSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000356908310 282153418 /nfs/dbraw/zinc/15/34/18/282153418.db2.gz ADHVROCXWBPQRO-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN CCCN(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042452702 362097021 /nfs/dbraw/zinc/09/70/21/362097021.db2.gz HXXUWFAYTDEMFB-UHFFFAOYSA-N 0 3 272.732 2.453 20 5 CEBDHN COc1ccc(CNC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042821302 362122187 /nfs/dbraw/zinc/12/21/87/362122187.db2.gz MRSOFXZDFZIGDX-GFCCVEGCSA-N 0 3 280.324 2.262 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426089 282231444 /nfs/dbraw/zinc/23/14/44/282231444.db2.gz QRPOVEUCWRRYMF-UONOGXRCSA-N 0 3 278.352 2.496 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007960755 343360356 /nfs/dbraw/zinc/36/03/56/343360356.db2.gz AZCMKMCNMVSLCY-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000008336975 343362281 /nfs/dbraw/zinc/36/22/81/343362281.db2.gz NJJKJXZZAFCZCF-VIFPVBQESA-N 0 3 295.368 2.105 20 5 CEBDHN CN1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000047829584 362225967 /nfs/dbraw/zinc/22/59/67/362225967.db2.gz NDFLMNZMANSCEH-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295049944 199318945 /nfs/dbraw/zinc/31/89/45/199318945.db2.gz NISXYGLPJXGGSK-QWRGUYRKSA-N 0 3 274.267 2.089 20 5 CEBDHN CC1CCN(C[C@H](O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067373130 343734884 /nfs/dbraw/zinc/73/48/84/343734884.db2.gz YWDTWKMJNXDYMV-CYBMUJFWSA-N 0 3 293.367 2.100 20 5 CEBDHN CCN(C)CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000066373532 343712522 /nfs/dbraw/zinc/71/25/22/343712522.db2.gz QIYSJHVAHLOCLH-UHFFFAOYSA-N 0 3 265.313 2.161 20 5 CEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066948764 343726426 /nfs/dbraw/zinc/72/64/26/343726426.db2.gz YXFWERPOVQRYIG-JTQLQIEISA-N 0 3 297.380 2.213 20 5 CEBDHN C[C@@H](NCC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000122004250 344304743 /nfs/dbraw/zinc/30/47/43/344304743.db2.gz MJJZGCOTNGEIBV-SNVBAGLBSA-N 0 3 252.314 2.264 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC2CCC(O)CC2)cs1 ZINC000227647626 344555739 /nfs/dbraw/zinc/55/57/39/344555739.db2.gz IDMVEXFNXZJZLW-UHFFFAOYSA-N 0 3 270.354 2.297 20 5 CEBDHN CN(C)CCn1cc(NCc2csc([N+](=O)[O-])c2)cn1 ZINC000236998175 344599272 /nfs/dbraw/zinc/59/92/72/344599272.db2.gz RZJPPFHVNVNGDK-UHFFFAOYSA-N 0 3 295.368 2.027 20 5 CEBDHN C[C@H]1C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514599 347063724 /nfs/dbraw/zinc/06/37/24/347063724.db2.gz LGSGEMYPDBLKSF-IUCAKERBSA-N 0 3 261.281 2.482 20 5 CEBDHN CC[C@H](NC1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000313131513 344741279 /nfs/dbraw/zinc/74/12/79/344741279.db2.gz DORIEBIWTKGVHN-AWEZNQCLSA-N 0 3 280.324 2.051 20 5 CEBDHN CC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000127283183 187293630 /nfs/dbraw/zinc/29/36/30/187293630.db2.gz LSBBKOYNUOHCTR-DGCLKSJQSA-N 0 3 293.367 2.421 20 5 CEBDHN C[C@@]1(O)C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000591348696 345241913 /nfs/dbraw/zinc/24/19/13/345241913.db2.gz MEKSMAJZVXDABB-DFBGVHRSSA-N 0 3 276.336 2.475 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000591435560 345253700 /nfs/dbraw/zinc/25/37/00/345253700.db2.gz KGFWVSHRFIRRFM-TXEJJXNPSA-N 0 3 261.325 2.234 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCN1CCCCC1 ZINC000593516108 345502067 /nfs/dbraw/zinc/50/20/67/345502067.db2.gz MAXOUOWDVGQAGB-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN CC[C@H](N[C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719348 345527313 /nfs/dbraw/zinc/52/73/13/345527313.db2.gz WWUMDBUJEPHPIB-AAEUAGOBSA-N 0 3 270.304 2.356 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCCC[C@@H]2CO)c1 ZINC000594014852 345566803 /nfs/dbraw/zinc/56/68/03/345566803.db2.gz OOCOTEPIVWEOOL-CQSZACIVSA-N 0 3 294.351 2.211 20 5 CEBDHN CCC[C@@H](NC[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514454 345641511 /nfs/dbraw/zinc/64/15/11/345641511.db2.gz YEOVTNGXYPERHZ-CABCVRRESA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1nn(C)c(N[C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594600474 345656938 /nfs/dbraw/zinc/65/69/38/345656938.db2.gz LJVGODVRDUISFQ-VXGBXAGGSA-N 0 3 293.371 2.066 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000595104763 345743000 /nfs/dbraw/zinc/74/30/00/345743000.db2.gz UMQBJRUOUZNATJ-DCAQKATOSA-N 0 3 250.298 2.077 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C1(CO)CC1 ZINC000594969926 345719823 /nfs/dbraw/zinc/71/98/23/345719823.db2.gz UEOSPMLSZCIGRH-NSHDSACASA-N 0 3 264.325 2.154 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCO[C@@H]1CC1(F)F ZINC000594972044 345720234 /nfs/dbraw/zinc/72/02/34/345720234.db2.gz WECYLDPIFPTMQV-GFCCVEGCSA-N 0 3 286.278 2.417 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)CC(C)C ZINC000594972589 345720306 /nfs/dbraw/zinc/72/03/06/345720306.db2.gz BWENPJMILKUXQV-ZDUSSCGKSA-N 0 3 266.341 2.400 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1COC2(CCC2)C1 ZINC000594976733 345720897 /nfs/dbraw/zinc/72/08/97/345720897.db2.gz QENYIPPDGCVAMX-GFCCVEGCSA-N 0 3 262.309 2.396 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CCCO ZINC000595022266 345729505 /nfs/dbraw/zinc/72/95/05/345729505.db2.gz TTYPEGGJWTYELJ-WDEREUQCSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[C@@H](C)O ZINC000595033695 345731492 /nfs/dbraw/zinc/73/14/92/345731492.db2.gz RZKPKSZDYPGNAM-AXFHLTTASA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[C@H](O)C1 ZINC000595041014 345733658 /nfs/dbraw/zinc/73/36/58/345733658.db2.gz OMFIYCBCZVXVBB-GVXVVHGQSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595826863 345887468 /nfs/dbraw/zinc/88/74/68/345887468.db2.gz KKLVPCODTBTBFO-OLZOCXBDSA-N 0 3 292.335 2.072 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595750508 345865999 /nfs/dbraw/zinc/86/59/99/345865999.db2.gz BYHSZBRQCJNIPK-UHFFFAOYSA-N 0 3 292.335 2.252 20 5 CEBDHN Cc1c(CN2C[C@@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759419 345869661 /nfs/dbraw/zinc/86/96/61/345869661.db2.gz PXNJZRSVSDHIDD-HIFRSBDPSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1c(CN[C@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776400 345874012 /nfs/dbraw/zinc/87/40/12/345874012.db2.gz AWXYJZRJIRFBIX-KBPBESRZSA-N 0 3 276.336 2.296 20 5 CEBDHN C[C@@H](NCCOCCF)c1ccc([N+](=O)[O-])cc1 ZINC000596052747 345928831 /nfs/dbraw/zinc/92/88/31/345928831.db2.gz WUPJXQRAJVGCQG-SNVBAGLBSA-N 0 3 256.277 2.232 20 5 CEBDHN C[C@@H]1CCCC[N@@H+]1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596061859 345930367 /nfs/dbraw/zinc/93/03/67/345930367.db2.gz LRFSFJNCWJKCEV-LLVKDONJSA-N 0 3 294.355 2.372 20 5 CEBDHN C[C@@H]1CCCC[N@H+]1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596061859 345930369 /nfs/dbraw/zinc/93/03/69/345930369.db2.gz LRFSFJNCWJKCEV-LLVKDONJSA-N 0 3 294.355 2.372 20 5 CEBDHN CC(C)(C)[N@@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596305865 345995235 /nfs/dbraw/zinc/99/52/35/345995235.db2.gz BSYQMYSJNVDMSX-SNVBAGLBSA-N 0 3 294.355 2.228 20 5 CEBDHN CC(C)(C)[N@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596305865 345995237 /nfs/dbraw/zinc/99/52/37/345995237.db2.gz BSYQMYSJNVDMSX-SNVBAGLBSA-N 0 3 294.355 2.228 20 5 CEBDHN Cc1cc(NCC2(N(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596275703 345989006 /nfs/dbraw/zinc/98/90/06/345989006.db2.gz VLKKSWCXEDJTNX-UHFFFAOYSA-N 0 3 255.343 2.471 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCN1C(C)(C)C ZINC000596309797 345995859 /nfs/dbraw/zinc/99/58/59/345995859.db2.gz WQAWDSZZQHYNNP-LLVKDONJSA-N 0 3 295.387 2.404 20 5 CEBDHN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000596336324 346002776 /nfs/dbraw/zinc/00/27/76/346002776.db2.gz NXMMTFGYWXNYLR-QMMMGPOBSA-N 0 3 270.358 2.336 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H](CO)C2)cs1 ZINC000336788468 365809219 /nfs/dbraw/zinc/80/92/19/365809219.db2.gz PITSIMCXCOQXKJ-ONGXEEELSA-N 0 3 270.354 2.297 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598536652 346372044 /nfs/dbraw/zinc/37/20/44/346372044.db2.gz VESNDTCLRRJELA-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065502 346454452 /nfs/dbraw/zinc/45/44/52/346454452.db2.gz LULRIDBPZCBDTL-GLQYFDAESA-N 0 3 294.351 2.094 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)Cc1ccccc1 ZINC000063218441 362763027 /nfs/dbraw/zinc/76/30/27/362763027.db2.gz KGUBJMDECUPQKM-HNNXBMFYSA-N 0 3 286.331 2.288 20 5 CEBDHN CC1(C)[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000085637483 179109791 /nfs/dbraw/zinc/10/97/91/179109791.db2.gz WYEUGNKQPSCCLN-YUTCNCBUSA-N 0 3 276.336 2.498 20 5 CEBDHN Cc1cc(CNCCc2cccc([N+](=O)[O-])c2)on1 ZINC000601113670 346756358 /nfs/dbraw/zinc/75/63/58/346756358.db2.gz IGYZQNDRRCOMRP-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN CN1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185720 346780585 /nfs/dbraw/zinc/78/05/85/346780585.db2.gz ZSVGKPCQZCDGIH-MNOVXSKESA-N 0 3 279.315 2.122 20 5 CEBDHN Cc1cc(N2C[C@H]3CCN(C)C[C@H]3C2)c([N+](=O)[O-])s1 ZINC000601183672 346779961 /nfs/dbraw/zinc/77/99/61/346779961.db2.gz BQECTCIEAQXWCE-MNOVXSKESA-N 0 3 281.381 2.353 20 5 CEBDHN CCN1CCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601103535 346753176 /nfs/dbraw/zinc/75/31/76/346753176.db2.gz CRYRFDVAGUHERV-UHFFFAOYSA-N 0 3 298.412 2.096 20 5 CEBDHN CC(C)[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336817723 365862889 /nfs/dbraw/zinc/86/28/89/365862889.db2.gz RONRTQFKPXHWDH-ZDUSSCGKSA-N 0 3 270.304 2.231 20 5 CEBDHN C[C@@H](NC[C@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804594 347206802 /nfs/dbraw/zinc/20/68/02/347206802.db2.gz KEEQNPHVVKBTRN-GHMZBOCLSA-N 0 3 287.323 2.024 20 5 CEBDHN Cn1cc(CN[C@H]2CCCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602810748 347208957 /nfs/dbraw/zinc/20/89/57/347208957.db2.gz IMHVDXQWZRMJEX-NSHDSACASA-N 0 3 266.345 2.387 20 5 CEBDHN C[C@H]1OCC[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000602760403 347186990 /nfs/dbraw/zinc/18/69/90/347186990.db2.gz SSIFYDFOFOMEGM-NEPJUHHUSA-N 0 3 264.325 2.452 20 5 CEBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000602834584 347218465 /nfs/dbraw/zinc/21/84/65/347218465.db2.gz UJBMDVIBTVDVFN-LBPRGKRZSA-N 0 3 296.371 2.108 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])CN1C1CC1 ZINC000610656618 347698871 /nfs/dbraw/zinc/69/88/71/347698871.db2.gz WYBFJHHMGKYILO-NXEZZACHSA-N 0 3 262.313 2.027 20 5 CEBDHN C[C@H](NC[C@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992273 365915162 /nfs/dbraw/zinc/91/51/62/365915162.db2.gz JPLRSEKQMRRJSB-NHYWBVRUSA-N 0 3 294.351 2.033 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611092409 347738928 /nfs/dbraw/zinc/73/89/28/347738928.db2.gz SRBOUUUIYKFCER-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000611510164 347787983 /nfs/dbraw/zinc/78/79/83/347787983.db2.gz BIMCTFFKROORKT-NXEZZACHSA-N 0 3 267.354 2.187 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612582075 347904250 /nfs/dbraw/zinc/90/42/50/347904250.db2.gz RLLIGDJGUYYGQP-CFVMTHIKSA-N 0 3 276.336 2.106 20 5 CEBDHN C[C@@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000339505046 215214682 /nfs/dbraw/zinc/21/46/82/215214682.db2.gz LAEAXPJJSZBCAX-KXQLTZBTSA-N 0 3 262.309 2.377 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(CO)CC1)CCC2 ZINC000618571577 348978994 /nfs/dbraw/zinc/97/89/94/348978994.db2.gz NSMQAEWWWVTAEK-AWEZNQCLSA-N 0 3 276.336 2.334 20 5 CEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000339623423 215273806 /nfs/dbraw/zinc/27/38/06/215273806.db2.gz YZOZCWWYGABEQD-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538629 180000081 /nfs/dbraw/zinc/00/00/81/180000081.db2.gz XIIQQIOCYPFZJI-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN NC(=O)CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271237723 191021873 /nfs/dbraw/zinc/02/18/73/191021873.db2.gz NNACOHYOHYLQCW-UHFFFAOYSA-N 0 3 291.351 2.072 20 5 CEBDHN C[C@@H]1CC(C)(C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412033179 233318818 /nfs/dbraw/zinc/31/88/18/233318818.db2.gz CPASINGBFJEWHJ-SNVBAGLBSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071895 233329107 /nfs/dbraw/zinc/32/91/07/233329107.db2.gz HAEHHVABVCVDIE-WCQYABFASA-N 0 3 264.325 2.188 20 5 CEBDHN CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000271350033 191089106 /nfs/dbraw/zinc/08/91/06/191089106.db2.gz POHBGCNALSNCDW-TZMCWYRMSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](NCC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000091959781 180292706 /nfs/dbraw/zinc/29/27/06/180292706.db2.gz AESBVZUXDLLUPL-JTQLQIEISA-N 0 3 250.298 2.282 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121852175 187000733 /nfs/dbraw/zinc/00/07/33/187000733.db2.gz DPFXKFMNNLMPCX-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072537488 363141803 /nfs/dbraw/zinc/14/18/03/363141803.db2.gz MCPOUWMYHZOKMW-ZDUSSCGKSA-N 0 3 292.339 2.201 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152823396 188046591 /nfs/dbraw/zinc/04/65/91/188046591.db2.gz ZANZDGKMEQGJOL-WZRBSPASSA-N 0 3 278.308 2.013 20 5 CEBDHN CN1CCC[C@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153622684 188093108 /nfs/dbraw/zinc/09/31/08/188093108.db2.gz JKDDWZCNSBXTMZ-VIFPVBQESA-N 0 3 270.720 2.149 20 5 CEBDHN Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000153541822 188087975 /nfs/dbraw/zinc/08/79/75/188087975.db2.gz GWAMCEAMRNBGRX-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ccccc3)C2)c1 ZINC000157842295 188342232 /nfs/dbraw/zinc/34/22/32/188342232.db2.gz PJWPXSABZSPNCR-AWEZNQCLSA-N 0 3 286.335 2.281 20 5 CEBDHN CC[C@@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132757369 366168804 /nfs/dbraw/zinc/16/88/04/366168804.db2.gz ZYXBFGUSNXFCQQ-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1cc(NC2CCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000074738819 363380444 /nfs/dbraw/zinc/38/04/44/363380444.db2.gz NPDYBHROJSOXIQ-UHFFFAOYSA-N 0 3 276.340 2.337 20 5 CEBDHN CC(=O)c1ccc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000271767331 191314932 /nfs/dbraw/zinc/31/49/32/191314932.db2.gz FRIWMGMBEWTMDU-UHFFFAOYSA-N 0 3 289.335 2.471 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@@H](O)C1 ZINC000452069665 283176764 /nfs/dbraw/zinc/17/67/64/283176764.db2.gz QJJVSPVYBMPBLT-GRYCIOLGSA-N 0 3 264.325 2.359 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216636 299245581 /nfs/dbraw/zinc/24/55/81/299245581.db2.gz SAVBJLDBPQKTDU-AAEUAGOBSA-N 0 3 296.367 2.490 20 5 CEBDHN CN1CC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000575831325 366365040 /nfs/dbraw/zinc/36/50/40/366365040.db2.gz CGAYOQGAOUCFJD-ABAIWWIYSA-N 0 3 298.346 2.283 20 5 CEBDHN C[C@H](N[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469253 199051665 /nfs/dbraw/zinc/05/16/65/199051665.db2.gz WNPJUXUVUKPBBX-GXSJLCMTSA-N 0 3 265.313 2.007 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000294594251 199100240 /nfs/dbraw/zinc/10/02/40/199100240.db2.gz CZBCZDYJNVLOPQ-LBPRGKRZSA-N 0 3 250.298 2.252 20 5 CEBDHN CC1(C)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578119785 366446402 /nfs/dbraw/zinc/44/64/02/366446402.db2.gz LUYOGKNJBYLFOL-UHFFFAOYSA-N 0 3 277.324 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCCO)CCCC2 ZINC000417305771 237076418 /nfs/dbraw/zinc/07/64/18/237076418.db2.gz XPPVJVWTRSZVKK-AWEZNQCLSA-N 0 3 264.325 2.334 20 5 CEBDHN CN1CC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148469493 366581786 /nfs/dbraw/zinc/58/17/86/366581786.db2.gz MYMWSKHNFBZUHN-MRVPVSSYSA-N 0 3 270.720 2.007 20 5 CEBDHN Cc1nc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525636 366651185 /nfs/dbraw/zinc/65/11/85/366651185.db2.gz ZPJZHQOTVKKRER-KOLCDFICSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000341873735 216133438 /nfs/dbraw/zinc/13/34/38/216133438.db2.gz AVOLGGMNEKEFAJ-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H](NCCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341872673 216133713 /nfs/dbraw/zinc/13/37/13/216133713.db2.gz HFNOVEHZEOMJAP-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN CCOC[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081522508 363725845 /nfs/dbraw/zinc/72/58/45/363725845.db2.gz PPLDTWHHNQRSBK-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN COCC[C@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375303 189111964 /nfs/dbraw/zinc/11/19/64/189111964.db2.gz GIRCRGOVCHFTOZ-WFASDCNBSA-N 0 3 296.367 2.341 20 5 CEBDHN CCOC[C@@H](O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712041 189139283 /nfs/dbraw/zinc/13/92/83/189139283.db2.gz CELZMXYPTIIRHR-UONOGXRCSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1c(Cn2cc3c(n2)[C@H](N)CCC3)cccc1[N+](=O)[O-] ZINC000581879037 366831424 /nfs/dbraw/zinc/83/14/24/366831424.db2.gz DDXOSBRQHDNOQY-CYBMUJFWSA-N 0 3 286.335 2.484 20 5 CEBDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380315 364802550 /nfs/dbraw/zinc/80/25/50/364802550.db2.gz XOQXKNYERAOXMJ-ABAIWWIYSA-N 0 3 296.367 2.490 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000112309048 364788900 /nfs/dbraw/zinc/78/89/00/364788900.db2.gz GXUGTDJKAPFRGB-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000112309885 364789977 /nfs/dbraw/zinc/78/99/77/364789977.db2.gz KPLAODGBMFZHGW-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000112311597 364790981 /nfs/dbraw/zinc/79/09/81/364790981.db2.gz PJZPNHDOKSMQKO-UHFFFAOYSA-N 0 3 279.340 2.057 20 5 CEBDHN COC[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112986243 364862927 /nfs/dbraw/zinc/86/29/27/364862927.db2.gz KTTKSMKJDVEMKD-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN CCC[C@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000118847445 365185156 /nfs/dbraw/zinc/18/51/56/365185156.db2.gz IJEJGZVJVGUMRU-LLVKDONJSA-N 0 3 258.343 2.297 20 5 CEBDHN CCC[C@H](N)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120796874 365477168 /nfs/dbraw/zinc/47/71/68/365477168.db2.gz ZJUQJEDSURWMRW-STQMWFEESA-N 0 3 279.340 2.290 20 5 CEBDHN C[C@@H]1CSC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000302564039 201480671 /nfs/dbraw/zinc/48/06/71/201480671.db2.gz NDRPJLRXNVETBF-BXKDBHETSA-N 0 3 252.339 2.436 20 5 CEBDHN CC(C)(CCO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168131959 367347267 /nfs/dbraw/zinc/34/72/67/367347267.db2.gz AUXAJWXJEWCPKC-UHFFFAOYSA-N 0 3 272.732 2.499 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCCc3ccccc3C2)c1 ZINC000174852845 368072859 /nfs/dbraw/zinc/07/28/59/368072859.db2.gz WAOMRBAFGYIFJR-UHFFFAOYSA-N 0 3 286.335 2.240 20 5 CEBDHN CN1CC=C(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000345138187 368165640 /nfs/dbraw/zinc/16/56/40/368165640.db2.gz HHZJVTXHKLWRGJ-UHFFFAOYSA-N 0 3 267.354 2.008 20 5 CEBDHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000186758738 369035563 /nfs/dbraw/zinc/03/55/63/369035563.db2.gz LKHPKJHRBVEGTE-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC1(CO)CC1 ZINC000186780846 369041681 /nfs/dbraw/zinc/04/16/81/369041681.db2.gz HIKBOIIHQHSQSB-NSHDSACASA-N 0 3 264.325 2.360 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000187112168 369103430 /nfs/dbraw/zinc/10/34/30/369103430.db2.gz JDJHQJLWPFAEHG-MCIONIFRSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C[C@@H](C)O)C(C)C ZINC000349976589 369473352 /nfs/dbraw/zinc/47/33/52/369473352.db2.gz PTCNJSRVZVSFNY-GFCCVEGCSA-N 0 3 266.341 2.494 20 5 CEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1 ZINC000358275741 370988162 /nfs/dbraw/zinc/98/81/62/370988162.db2.gz QEBZIOYTDKMOLL-UHFFFAOYSA-N 0 3 292.314 2.453 20 5 CEBDHN CCN1CCCC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000192793044 369854446 /nfs/dbraw/zinc/85/44/46/369854446.db2.gz UXWXQIQKADCQDS-LBPRGKRZSA-N 0 3 278.356 2.463 20 5 CEBDHN COc1cc(CN2CCN(C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352767884 369875321 /nfs/dbraw/zinc/87/53/21/369875321.db2.gz DAMJBCMGRPSWRN-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1cn[nH]c1CNCc1cccc([N+](=O)[O-])c1C ZINC000352862348 369920265 /nfs/dbraw/zinc/92/02/65/369920265.db2.gz NLIAZIBJPHDBRP-UHFFFAOYSA-N 0 3 260.297 2.225 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193384611 369935950 /nfs/dbraw/zinc/93/59/50/369935950.db2.gz IHDQXQYTVMIWDP-NSHDSACASA-N 0 3 278.356 2.463 20 5 CEBDHN COc1ccc(CNCCc2cc(C)no2)cc1[N+](=O)[O-] ZINC000353063072 370005740 /nfs/dbraw/zinc/00/57/40/370005740.db2.gz KYXVMMNZJORYQI-UHFFFAOYSA-N 0 3 291.307 2.232 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)C2CC2)c(Cl)c1 ZINC000353158541 370046818 /nfs/dbraw/zinc/04/68/18/370046818.db2.gz WJGACMRQDQPRST-NSHDSACASA-N 0 3 284.743 2.356 20 5 CEBDHN CSC[C@@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000217854323 370201956 /nfs/dbraw/zinc/20/19/56/370201956.db2.gz FSWNCFPNJVYOMJ-ZDUSSCGKSA-N 0 3 284.381 2.107 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354434859 370361935 /nfs/dbraw/zinc/36/19/35/370361935.db2.gz AYOFVCJOVGHKEI-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN COc1cc(N[C@@H](C)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000227859041 370386565 /nfs/dbraw/zinc/38/65/65/370386565.db2.gz QTWIWHFDSIIMIH-QMMMGPOBSA-N 0 3 271.292 2.105 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000250121857 371377930 /nfs/dbraw/zinc/37/79/30/371377930.db2.gz VMEQZBTXINHNGU-MJBXVCDLSA-N 0 3 262.309 2.252 20 5 CEBDHN CC(C)c1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287325839 376206841 /nfs/dbraw/zinc/20/68/41/376206841.db2.gz XLEBUQAZNAOVSH-NSHDSACASA-N 0 3 293.367 2.398 20 5 CEBDHN Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000252561987 371457323 /nfs/dbraw/zinc/45/73/23/371457323.db2.gz WPQGPKLFMIOUPP-KBPBESRZSA-N 0 3 291.351 2.178 20 5 CEBDHN CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361402067 371831071 /nfs/dbraw/zinc/83/10/71/371831071.db2.gz GHZYPNYBHDQNDK-CQSZACIVSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1c(CN2CC[C@H](CO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000344130901 217064417 /nfs/dbraw/zinc/06/44/17/217064417.db2.gz IIJDUXOVEWSJLI-YPMHNXCESA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540767 372075964 /nfs/dbraw/zinc/07/59/64/372075964.db2.gz CCWJPZUYQSDRHE-JOYOIKCWSA-N 0 3 298.774 2.420 20 5 CEBDHN CNC(=O)CCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269982006 372623757 /nfs/dbraw/zinc/62/37/57/372623757.db2.gz YCYDHAOQMJGPKN-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN C[C@H]1CN(C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353589009 220176961 /nfs/dbraw/zinc/17/69/61/220176961.db2.gz FKHWSDCZVNRQLT-IYNGYCSASA-N 0 3 275.352 2.244 20 5 CEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000274122342 373818949 /nfs/dbraw/zinc/81/89/49/373818949.db2.gz XEHFCCCRSHEDBS-GHMZBOCLSA-N 0 3 280.324 2.272 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000371900048 374001137 /nfs/dbraw/zinc/00/11/37/374001137.db2.gz UNFNENGTSQFRMJ-ZDUSSCGKSA-N 0 3 286.335 2.273 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000334104525 206014246 /nfs/dbraw/zinc/01/42/46/206014246.db2.gz VZYNADZTFFGBRG-NEPJUHHUSA-N 0 3 291.351 2.116 20 5 CEBDHN CCOc1cc(CN2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000276934751 374350876 /nfs/dbraw/zinc/35/08/76/374350876.db2.gz RODSTPIKLYCIKE-YPMHNXCESA-N 0 3 294.351 2.054 20 5 CEBDHN C[C@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279997784 375057675 /nfs/dbraw/zinc/05/76/75/375057675.db2.gz JETGYIFKALFPSQ-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cc1F ZINC000408472659 375494607 /nfs/dbraw/zinc/49/46/07/375494607.db2.gz WHAXCRFLOBINQI-MNOVXSKESA-N 0 3 294.330 2.192 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283145676 375664438 /nfs/dbraw/zinc/66/44/38/375664438.db2.gz OGISEFTZFLESAC-UWVGGRQHSA-N 0 3 298.314 2.411 20 5 CEBDHN Cc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000283818221 375766556 /nfs/dbraw/zinc/76/65/56/375766556.db2.gz DWAVWHQHLURYJS-FNORWQNLSA-N 0 3 286.335 2.440 20 5 CEBDHN C[C@@H](NCC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287425137 376229483 /nfs/dbraw/zinc/22/94/83/376229483.db2.gz SMBOQHFWZDUEPQ-LLVKDONJSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263656667 190072446 /nfs/dbraw/zinc/07/24/46/190072446.db2.gz CQMCLSUUBJLLGH-NSHDSACASA-N 0 3 250.298 2.315 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000556953457 376524625 /nfs/dbraw/zinc/52/46/25/376524625.db2.gz BKQABLYYDRUXAT-AWEZNQCLSA-N 0 3 277.368 2.429 20 5 CEBDHN CN(C)C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263927453 190085659 /nfs/dbraw/zinc/08/56/59/190085659.db2.gz WDUUBNARYVTSRN-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291152058 377093932 /nfs/dbraw/zinc/09/39/32/377093932.db2.gz DVBPYWJXIJIKJK-LBPRGKRZSA-N 0 3 282.340 2.330 20 5 CEBDHN C[C@@H]1CCC[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000331100617 377280953 /nfs/dbraw/zinc/28/09/53/377280953.db2.gz DAFSYOYSOBLUSE-MXWKQRLJSA-N 0 3 266.345 2.243 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCCC1(C)C ZINC000331103507 377282824 /nfs/dbraw/zinc/28/28/24/377282824.db2.gz FLBXKSSRNMRQAY-LLVKDONJSA-N 0 3 266.345 2.387 20 5 CEBDHN CC[C@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331125731 377291027 /nfs/dbraw/zinc/29/10/27/377291027.db2.gz OJOFCTSYKROBNA-WDEREUQCSA-N 0 3 266.345 2.387 20 5 CEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000293196587 377466542 /nfs/dbraw/zinc/46/65/42/377466542.db2.gz XLFXHURWDLCDRU-CQSZACIVSA-N 0 3 264.325 2.418 20 5 CEBDHN CC(=O)c1ccc(N2CC[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000265023414 190152870 /nfs/dbraw/zinc/15/28/70/190152870.db2.gz YQCLVGFGOVIQAF-GFCCVEGCSA-N 0 3 291.351 2.185 20 5 CEBDHN CN(C)CCN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293260797 377495831 /nfs/dbraw/zinc/49/58/31/377495831.db2.gz XEAMHRGUEZJDAH-UHFFFAOYSA-N 0 3 257.721 2.246 20 5 CEBDHN Cc1cc(C(=O)NCC2(N(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000332499750 377626500 /nfs/dbraw/zinc/62/65/00/377626500.db2.gz WDJJSAUNUJLNKX-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294028509 377875784 /nfs/dbraw/zinc/87/57/84/377875784.db2.gz FJLSDFMIFJYSPS-GAJTVXKRSA-N 0 3 279.340 2.131 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(CC[C@@H]1CCOC1)CC2 ZINC000438116674 377887519 /nfs/dbraw/zinc/88/75/19/377887519.db2.gz NOTNGDNPQLKACI-GFCCVEGCSA-N 0 3 276.336 2.380 20 5 CEBDHN Cc1nc(NC[C@@H]2N(C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450489586 378446442 /nfs/dbraw/zinc/44/64/42/378446442.db2.gz ILAPWWQEMHPYTF-LBPRGKRZSA-N 0 3 293.371 2.226 20 5 CEBDHN Cc1nc(NC[C@H](C)N2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541898 378568093 /nfs/dbraw/zinc/56/80/93/378568093.db2.gz NYISJZJAXLRNER-QWRGUYRKSA-N 0 3 293.371 2.226 20 5 CEBDHN COC[C@](C)(O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257404 378843836 /nfs/dbraw/zinc/84/38/36/378843836.db2.gz NDMDKJULXSZNPW-SMDDNHRTSA-N 0 3 282.340 2.033 20 5 CEBDHN COC[C@@](C)(O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268690 378850157 /nfs/dbraw/zinc/85/01/57/378850157.db2.gz ZXSOJJJGJYSBEV-DOMZBBRYSA-N 0 3 296.367 2.341 20 5 CEBDHN CC[C@@H](NCC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243701 378837241 /nfs/dbraw/zinc/83/72/41/378837241.db2.gz AEECNTVTLNUWAF-CABCVRRESA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453407703 378892630 /nfs/dbraw/zinc/89/26/30/378892630.db2.gz MKCABWDLNVXPSP-MPKXVKKWSA-N 0 3 264.325 2.467 20 5 CEBDHN CCNC(=O)C(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000453600970 378918609 /nfs/dbraw/zinc/91/86/09/378918609.db2.gz FUTRRZYRDIVIRA-CLFYSBASSA-N 0 3 291.351 2.112 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCCSC3)nc2c1 ZINC000278613579 194069596 /nfs/dbraw/zinc/06/95/96/194069596.db2.gz GQGBVIQEWNSWFM-VIFPVBQESA-N 0 3 292.364 2.456 20 5 CEBDHN COC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278619302 194071685 /nfs/dbraw/zinc/07/16/85/194071685.db2.gz JQHFYXXDECUYJV-ZFWWWQNUSA-N 0 3 294.351 2.187 20 5 CEBDHN COc1ccc(CNC[C@@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000266594860 190269268 /nfs/dbraw/zinc/26/92/68/190269268.db2.gz ARMZZPFWXWBCOM-CQSZACIVSA-N 0 3 282.340 2.364 20 5 CEBDHN CN(CCN(C)C1CC1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302906160 379477442 /nfs/dbraw/zinc/47/74/42/379477442.db2.gz WMSRNZGJANMQNR-UHFFFAOYSA-N 0 3 290.367 2.093 20 5 CEBDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000304063017 379518101 /nfs/dbraw/zinc/51/81/01/379518101.db2.gz RFKPPPILIJQAKE-RISCZKNCSA-N 0 3 266.341 2.482 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)c1 ZINC000524690542 379627515 /nfs/dbraw/zinc/62/75/15/379627515.db2.gz ZEFPQSIHSPVEDK-GFCCVEGCSA-N 0 3 291.351 2.278 20 5 CEBDHN CC[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)OC ZINC000289420512 197339074 /nfs/dbraw/zinc/33/90/74/197339074.db2.gz BHYVJMGNPXLEMP-ZDUSSCGKSA-N 0 3 252.314 2.418 20 5 CEBDHN COCC[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000414479156 285157460 /nfs/dbraw/zinc/15/74/60/285157460.db2.gz ICTLPHZQOHLGOU-NSHDSACASA-N 0 3 252.314 2.357 20 5 CEBDHN O=[N+]([O-])c1ccccc1N1CC[C@H](N2CC=CC2)C1 ZINC000266305388 285164109 /nfs/dbraw/zinc/16/41/09/285164109.db2.gz ZGTAMXRFOGPDHD-LBPRGKRZSA-N 0 3 259.309 2.045 20 5 CEBDHN CN(C)[C@@]1(CNc2ccc(N)cc2[N+](=O)[O-])CCSC1 ZINC000288406061 197069336 /nfs/dbraw/zinc/06/93/36/197069336.db2.gz NAZLZHJBHHGKQC-CYBMUJFWSA-N 0 3 296.396 2.026 20 5 CEBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421034421 394475203 /nfs/dbraw/zinc/47/52/03/394475203.db2.gz KEPCXQPDENQSSK-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000413113885 394484993 /nfs/dbraw/zinc/48/49/93/394484993.db2.gz DEYUJSYEPDUKQM-MRVPVSSYSA-N 0 3 268.292 2.024 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCCC1(O)CCC1 ZINC000421371653 394515003 /nfs/dbraw/zinc/51/50/03/394515003.db2.gz KAKQACHEYTYATL-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766524 394498259 /nfs/dbraw/zinc/49/82/59/394498259.db2.gz AMQSANDHXDDNSP-OUJBWJOFSA-N 0 3 279.340 2.145 20 5 CEBDHN CC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013118 394644471 /nfs/dbraw/zinc/64/44/71/394644471.db2.gz WYNKBTBDGOSZEX-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558506 394681560 /nfs/dbraw/zinc/68/15/60/394681560.db2.gz FIJYZQAVAMXHFD-NEPJUHHUSA-N 0 3 263.341 2.371 20 5 CEBDHN COCC[C@H](C)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268024655 394689030 /nfs/dbraw/zinc/68/90/30/394689030.db2.gz WUZGNDATDMMWNI-ZDUSSCGKSA-N 0 3 293.367 2.142 20 5 CEBDHN C[C@@H]1[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357049654 394693304 /nfs/dbraw/zinc/69/33/04/394693304.db2.gz YJTLMTGRAXFTHG-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CN(C)C)c1 ZINC000268589351 394696670 /nfs/dbraw/zinc/69/66/70/394696670.db2.gz HDIOKOINMUUNJQ-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN CC[C@@H](N[C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017919 394707866 /nfs/dbraw/zinc/70/78/66/394707866.db2.gz OZUNJCQYKGFUKD-SMDDNHRTSA-N 0 3 289.339 2.316 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000361163638 394818059 /nfs/dbraw/zinc/81/80/59/394818059.db2.gz BMGVPXNSLYUTJE-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(CCOC2)C1 ZINC000153449466 395008303 /nfs/dbraw/zinc/00/83/03/395008303.db2.gz ZVLFMTFLOJGXPU-OAHLLOKOSA-N 0 3 292.335 2.086 20 5 CEBDHN COc1ccc(CN[C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000285819845 394968542 /nfs/dbraw/zinc/96/85/42/394968542.db2.gz GTAHDQBMYKAKMZ-MWLCHTKSSA-N 0 3 282.365 2.445 20 5 CEBDHN CCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000343960543 395047980 /nfs/dbraw/zinc/04/79/80/395047980.db2.gz LJEFRMKDSUJMTF-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN CC[C@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000289912502 395090667 /nfs/dbraw/zinc/09/06/67/395090667.db2.gz UVENBELLQLBHRE-LLVKDONJSA-N 0 3 268.313 2.118 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000430199151 395163405 /nfs/dbraw/zinc/16/34/05/395163405.db2.gz AXYRVBDNWXIRRI-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1cnc(N2CC[C@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292863658 395208124 /nfs/dbraw/zinc/20/81/24/395208124.db2.gz SKFSZQDVGVDEAW-OAHLLOKOSA-N 0 3 290.367 2.220 20 5 CEBDHN CCN1CCCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000408171977 395292981 /nfs/dbraw/zinc/29/29/81/395292981.db2.gz QELRHEWTEXQIPY-UHFFFAOYSA-N 0 3 278.356 2.139 20 5 CEBDHN C[S@](=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000441198525 395379589 /nfs/dbraw/zinc/37/95/89/395379589.db2.gz IRKGNMPSPXHBRS-MNBNYPOFSA-N 0 3 294.376 2.109 20 5 CEBDHN CCN(C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574464321 395630595 /nfs/dbraw/zinc/63/05/95/395630595.db2.gz GEFNSARVGDXEBP-CYBMUJFWSA-N 0 3 263.341 2.123 20 5 CEBDHN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc2[nH]ccc21 ZINC000494019081 395678591 /nfs/dbraw/zinc/67/85/91/395678591.db2.gz RTLOIJLRDJMRAK-UHFFFAOYSA-N 0 3 299.334 2.405 20 5 CEBDHN CN1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156421747 289195427 /nfs/dbraw/zinc/19/54/27/289195427.db2.gz PQGCNCSMXNIRKI-JTQLQIEISA-N 0 3 267.304 2.488 20 5 CEBDHN CN1CC[C@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000191208233 153165381 /nfs/dbraw/zinc/16/53/81/153165381.db2.gz IIDHEPZOFQBVOQ-VIFPVBQESA-N 0 3 253.327 2.034 20 5 CEBDHN CCCN(C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000195009555 153273234 /nfs/dbraw/zinc/27/32/34/153273234.db2.gz FDWVTKQBJFAOGB-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN CC(=O)c1cc(N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000228261218 153364666 /nfs/dbraw/zinc/36/46/66/153364666.db2.gz YOILOCYQQLBMLO-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN CO[C@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430910 155012779 /nfs/dbraw/zinc/01/27/79/155012779.db2.gz SVRSMIWLJHJCIT-WFASDCNBSA-N 0 3 294.351 2.359 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000363224122 156015670 /nfs/dbraw/zinc/01/56/70/156015670.db2.gz QFADKONCJPNOKG-NNQSOWQGSA-N 0 3 276.336 2.188 20 5 CEBDHN C[C@@H](F)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514743 156196977 /nfs/dbraw/zinc/19/69/77/156196977.db2.gz OTZDGYUYSCYYAR-MNOVXSKESA-N 0 3 270.308 2.176 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@]3(CCOC3)C2)cs1 ZINC000371401426 156658009 /nfs/dbraw/zinc/65/80/09/156658009.db2.gz OUGQBLVLGHTPCZ-WCQYABFASA-N 0 3 298.364 2.084 20 5 CEBDHN C[C@H](CN(C)C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168605409 162365727 /nfs/dbraw/zinc/36/57/27/162365727.db2.gz XDTKJDKBAVFHOH-GHMZBOCLSA-N 0 3 251.330 2.196 20 5 CEBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008015 165092030 /nfs/dbraw/zinc/09/20/30/165092030.db2.gz ZZZLYVUSRPRQLO-RYUDHWBXSA-N 0 3 291.351 2.084 20 5 CEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008030 165092102 /nfs/dbraw/zinc/09/21/02/165092102.db2.gz ZZZLYVUSRPRQLO-VXGBXAGGSA-N 0 3 291.351 2.084 20 5 CEBDHN C[C@H](N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685520 175231581 /nfs/dbraw/zinc/23/15/81/175231581.db2.gz IZRRMCSFMLSICC-AAEUAGOBSA-N 0 3 275.352 2.482 20 5 CEBDHN CC[C@H](CCO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000077453819 177270473 /nfs/dbraw/zinc/27/04/73/177270473.db2.gz ICPKUCIKEVLMBA-GFCCVEGCSA-N 0 3 252.314 2.154 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000566858593 299027536 /nfs/dbraw/zinc/02/75/36/299027536.db2.gz RUEHKVRERNTZKD-FZMZJTMJSA-N 0 3 266.341 2.482 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390532 263261174 /nfs/dbraw/zinc/26/11/74/263261174.db2.gz YFICBOOAFUGZMZ-KOLCDFICSA-N 0 3 279.340 2.078 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@H]1CCCN1C ZINC000420629157 270545127 /nfs/dbraw/zinc/54/51/27/270545127.db2.gz CAMJAKFIBCEEGD-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN CON1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000421204707 270598943 /nfs/dbraw/zinc/59/89/43/270598943.db2.gz FZANMUABULOZDI-NSHDSACASA-N 0 3 279.340 2.271 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCOC1 ZINC000430202377 271361503 /nfs/dbraw/zinc/36/15/03/271361503.db2.gz CJBRITIRHGHSGF-NSHDSACASA-N 0 3 280.324 2.072 20 5 CEBDHN CS[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000286568169 277530051 /nfs/dbraw/zinc/53/00/51/277530051.db2.gz RFJACRBJBRTHEF-RYUDHWBXSA-N 0 3 299.371 2.216 20 5 CEBDHN COc1cccc(N2CCCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000185296039 278015663 /nfs/dbraw/zinc/01/56/63/278015663.db2.gz AIDHQDKFMVIBRI-UHFFFAOYSA-N 0 3 291.351 2.278 20 5 CEBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000186265711 278188400 /nfs/dbraw/zinc/18/84/00/278188400.db2.gz UJRPUJIZYADTPA-LLVKDONJSA-N 0 3 295.339 2.182 20 5 CEBDHN C[C@H](C[C@H](C)O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228077232 278218256 /nfs/dbraw/zinc/21/82/56/278218256.db2.gz RBTBOMIVXXZFTA-VWYCJHECSA-N 0 3 252.314 2.405 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000134627036 280027483 /nfs/dbraw/zinc/02/74/83/280027483.db2.gz YTOAPCZQJBDZAI-RWMBFGLXSA-N 0 3 276.336 2.491 20 5 CEBDHN CCC[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000459793408 290241994 /nfs/dbraw/zinc/24/19/94/290241994.db2.gz JZUBOMRUVFUDRD-NSHDSACASA-N 0 3 266.345 2.387 20 5 CEBDHN CC(C)[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1C ZINC000487076358 290330983 /nfs/dbraw/zinc/33/09/83/290330983.db2.gz UTEBEGAKAGXHOD-CQSZACIVSA-N 0 3 263.341 2.371 20 5 CEBDHN CC(C)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488010244 290374487 /nfs/dbraw/zinc/37/44/87/290374487.db2.gz PFOOQIBNIQAQMP-HNNXBMFYSA-N 0 3 277.368 2.367 20 5 CEBDHN C[C@H](NCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967892 298127122 /nfs/dbraw/zinc/12/71/22/298127122.db2.gz GZHPAYRGTKVRCO-WFASDCNBSA-N 0 3 294.351 2.441 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCn1cccn1 ZINC000536875905 298206781 /nfs/dbraw/zinc/20/67/81/298206781.db2.gz KNZQFGUDWMRNIR-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541596065 298280930 /nfs/dbraw/zinc/28/09/30/298280930.db2.gz ZPLUPQQVBIQQRK-JTQLQIEISA-N 0 3 289.335 2.454 20 5 CEBDHN C[C@@H]1C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000548097773 298393684 /nfs/dbraw/zinc/39/36/84/298393684.db2.gz VGKCYBZHYBPRNL-PHIMTYICSA-N 0 3 250.298 2.456 20 5 CEBDHN COc1ccc(CN(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000531343618 313322891 /nfs/dbraw/zinc/32/28/91/313322891.db2.gz KJFONJBGQGPZLW-UHFFFAOYSA-N 0 3 280.324 2.214 20 5 CEBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000566777124 313868785 /nfs/dbraw/zinc/86/87/85/313868785.db2.gz NIAYXBKZRLVVAW-NSHDSACASA-N 0 3 290.323 2.058 20 5 CEBDHN CC(C)CC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000575916649 314225321 /nfs/dbraw/zinc/22/53/21/314225321.db2.gz UJMBAGMFVVWGBW-CQSZACIVSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000584159363 327052647 /nfs/dbraw/zinc/05/26/47/327052647.db2.gz AWWHKWDHRCFOEE-JTQLQIEISA-N 0 3 282.319 2.273 20 5 CEBDHN COc1cc(C[NH2+]C[C@@H]2CC23CC3)c([N+](=O)[O-])cc1[O-] ZINC000418098816 533877228 /nfs/dbraw/zinc/87/72/28/533877228.db2.gz PAKYREDZEIRPAY-JTQLQIEISA-N 0 3 278.308 2.199 20 5 CEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1 ZINC000157435717 521185091 /nfs/dbraw/zinc/18/50/91/521185091.db2.gz BYUPDTBAOWSAGI-UHFFFAOYSA-N 0 3 292.314 2.453 20 5 CEBDHN COC(=O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727263 523010204 /nfs/dbraw/zinc/01/02/04/523010204.db2.gz RAPUIPJESKQGTB-UHFFFAOYSA-N 0 3 280.324 2.022 20 5 CEBDHN CC(C)(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000096480845 527352328 /nfs/dbraw/zinc/35/23/28/527352328.db2.gz YGOLARCOGDMRSH-UHFFFAOYSA-N 0 3 258.705 2.109 20 5 CEBDHN Cc1nn(CN2C[C@H](C)C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954328 575241818 /nfs/dbraw/zinc/24/18/18/575241818.db2.gz MYVKNARVLQAIDS-NXEZZACHSA-N 0 3 289.339 2.336 20 5 CEBDHN C[C@H](CCO)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097441343 624219912 /nfs/dbraw/zinc/21/99/12/624219912.db2.gz OEYKBHUWSXKNSW-SECBINFHSA-N 0 3 272.732 2.356 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCO[C@@H]2CCCCO2)c1 ZINC000894798665 629646588 /nfs/dbraw/zinc/64/65/88/629646588.db2.gz FRBJUKYWBSRQPS-CQSZACIVSA-N 0 3 280.324 2.228 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000895125050 629928830 /nfs/dbraw/zinc/92/88/30/629928830.db2.gz OFIPJWRHJZFRRQ-WPRPVWTQSA-N 0 3 298.364 2.293 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000895125050 629928833 /nfs/dbraw/zinc/92/88/33/629928833.db2.gz OFIPJWRHJZFRRQ-WPRPVWTQSA-N 0 3 298.364 2.293 20 5 CEBDHN CC(C)Oc1nc(N[C@@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736538 630326829 /nfs/dbraw/zinc/32/68/29/630326829.db2.gz KLNSZKIOUBXIJX-WDEREUQCSA-N 0 3 294.355 2.282 20 5 CEBDHN CN1CCC2(CCN2c2sccc2[N+](=O)[O-])CC1 ZINC000897134179 630951694 /nfs/dbraw/zinc/95/16/94/630951694.db2.gz ZYYMBFWLDMJYBB-UHFFFAOYSA-N 0 3 267.354 2.331 20 5 CEBDHN COCC[C@@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000801550813 631288040 /nfs/dbraw/zinc/28/80/40/631288040.db2.gz JWYLMBUXUPBBNU-CQSZACIVSA-N 0 3 298.314 2.019 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN(C)C1CC1 ZINC000804621056 631715050 /nfs/dbraw/zinc/71/50/50/631715050.db2.gz GEEYSILIAQWFJG-UHFFFAOYSA-N 0 3 291.351 2.328 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NCC1=CCN(C)CC1 ZINC000808011774 631906535 /nfs/dbraw/zinc/90/65/35/631906535.db2.gz DJYRVBXBHYYGDV-UHFFFAOYSA-N 0 3 289.335 2.471 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccccc1)[N+](=O)[O-] ZINC000813101663 632620881 /nfs/dbraw/zinc/62/08/81/632620881.db2.gz GNOKXUZLQPZSPO-JTQLQIEISA-N 0 3 251.282 2.173 20 5 CEBDHN CC(C)C[C@H](C)OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102855 632622148 /nfs/dbraw/zinc/62/21/48/632622148.db2.gz KKVHZVQUSJECBJ-MNOVXSKESA-N 0 3 261.318 2.036 20 5 CEBDHN CCc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105127 632623488 /nfs/dbraw/zinc/62/34/88/632623488.db2.gz VXDRTBCMAHYVAI-NSHDSACASA-N 0 3 265.309 2.390 20 5 CEBDHN Cc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106703 632624575 /nfs/dbraw/zinc/62/45/75/632624575.db2.gz GOMOSAHVXICPEN-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN Cc1cc(F)c(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813107393 632624928 /nfs/dbraw/zinc/62/49/28/632624928.db2.gz MVOSXGXUTONFGB-ZETCQYMHSA-N 0 3 259.208 2.095 20 5 CEBDHN CC(COC(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813111461 632625464 /nfs/dbraw/zinc/62/54/64/632625464.db2.gz HQSLBXMAYDUCTM-YFKPBYRVSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(COC(=O)/C=C\c1ccnc2ccccc12)[N+](=O)[O-] ZINC000813110279 632626415 /nfs/dbraw/zinc/62/64/15/632626415.db2.gz WJPRKFWTFXMBBK-ZADCQDASSA-N 0 3 286.287 2.456 20 5 CEBDHN CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccn1 ZINC000813109964 632626827 /nfs/dbraw/zinc/62/68/27/632626827.db2.gz QRCRXAHPVRUHPM-GHMZBOCLSA-N 0 3 266.297 2.174 20 5 CEBDHN CC(COC(=O)/C=C\c1ccnc2ccccc12)[N+](=O)[O-] ZINC000813110276 632626880 /nfs/dbraw/zinc/62/68/80/632626880.db2.gz WJPRKFWTFXMBBK-JMEBYUIHSA-N 0 3 286.287 2.456 20 5 CEBDHN CC(COC(=O)[C@H](C)c1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813112237 632627309 /nfs/dbraw/zinc/62/73/09/632627309.db2.gz OFFMOAVSQDHKNX-WDEREUQCSA-N 0 3 290.319 2.490 20 5 CEBDHN CC(COC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813111667 632627555 /nfs/dbraw/zinc/62/75/55/632627555.db2.gz VZNLTARBQSBRLZ-NXEZZACHSA-N 0 3 297.282 2.243 20 5 CEBDHN CSc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112578 632627581 /nfs/dbraw/zinc/62/75/81/632627581.db2.gz ISJSFXSXXYJGCH-MRVPVSSYSA-N 0 3 255.295 2.231 20 5 CEBDHN CC(COC(=O)Cc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813111537 632627723 /nfs/dbraw/zinc/62/77/23/632627723.db2.gz UJIPIBZRXQEXTB-MRVPVSSYSA-N 0 3 257.673 2.091 20 5 CEBDHN CCOc1ccc(SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111093 632627731 /nfs/dbraw/zinc/62/77/31/632627731.db2.gz CGOYOBUMKYHBDU-JTQLQIEISA-N 0 3 299.348 2.386 20 5 CEBDHN CC(COC(=O)c1cnc(-c2ccncc2)s1)[N+](=O)[O-] ZINC000813113168 632628396 /nfs/dbraw/zinc/62/83/96/632628396.db2.gz XRPONFFGZNFZTD-QMMMGPOBSA-N 0 3 293.304 2.027 20 5 CEBDHN CC(COC(=O)/C=C/c1cccc(F)c1)[N+](=O)[O-] ZINC000813113439 632628546 /nfs/dbraw/zinc/62/85/46/632628546.db2.gz PXHLIVITJOUYOA-VUHVRTRXSA-N 0 3 253.229 2.047 20 5 CEBDHN Cc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114735 632629216 /nfs/dbraw/zinc/62/92/16/632629216.db2.gz VZHOTCCXCCTUDE-NWDGAFQWSA-N 0 3 265.309 2.382 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813115051 632629665 /nfs/dbraw/zinc/62/96/65/632629665.db2.gz ZRXKIOYRRYJKMB-VHSXEESVSA-N 0 3 269.272 2.213 20 5 CEBDHN O=[N+]([O-])CCNC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000899870703 633063554 /nfs/dbraw/zinc/06/35/54/633063554.db2.gz NYYRAFSKIGDYQA-CQSZACIVSA-N 0 3 297.786 2.343 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCCC2=O)[N+](=O)[O-] ZINC000816092152 633116286 /nfs/dbraw/zinc/11/62/86/633116286.db2.gz UVQFTTGJJRCUAX-SECBINFHSA-N 0 3 277.276 2.028 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2noc(C34CCC(CC3)N4)n2)c1 ZINC000899994239 633158819 /nfs/dbraw/zinc/15/88/19/633158819.db2.gz WHAFDGPWYDNGFH-UHFFFAOYSA-N 0 3 286.291 2.386 20 5 CEBDHN CCOCCN[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903074634 634967593 /nfs/dbraw/zinc/96/75/93/634967593.db2.gz VWCSFAQZZWEXOW-SNVBAGLBSA-N 0 3 268.313 2.291 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1COC[C@H]1C ZINC000903393776 635090326 /nfs/dbraw/zinc/09/03/26/635090326.db2.gz STQYFPZVBHOWMX-NRUUGDAUSA-N 0 3 280.324 2.289 20 5 CEBDHN Cc1ccc(SC[C@@H](C)NCC[N+](=O)[O-])cc1 ZINC000905217032 636165239 /nfs/dbraw/zinc/16/52/39/636165239.db2.gz CCPNRTBSIDYJRT-LLVKDONJSA-N 0 3 254.355 2.342 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)C)n1 ZINC000835457709 638263980 /nfs/dbraw/zinc/26/39/80/638263980.db2.gz ZOTMBTIUDNRYSQ-JTQLQIEISA-N 0 3 266.297 2.335 20 5 CEBDHN C[C@H](NC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208883 639746483 /nfs/dbraw/zinc/74/64/83/639746483.db2.gz AVJSVSMVIXRKBY-GXFFZTMASA-N 0 3 280.324 2.397 20 5 CEBDHN CC(COC(=O)[C@]1(C)CCc2ccccc21)[N+](=O)[O-] ZINC000842802470 640188182 /nfs/dbraw/zinc/18/81/82/640188182.db2.gz ZQNZXRGQRDWIDL-QMTHXVAHSA-N 0 3 263.293 2.099 20 5 CEBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000845672898 641044235 /nfs/dbraw/zinc/04/42/35/641044235.db2.gz ROBWPYUQHNCSSR-NSHDSACASA-N 0 3 278.308 2.236 20 5 CEBDHN CO[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874457 641118021 /nfs/dbraw/zinc/11/80/21/641118021.db2.gz IRRUCLJZQAKRFE-YGOYTEALSA-N 0 3 285.271 2.110 20 5 CEBDHN CC(COC(=O)C[C@H](C)N1CCc2ccccc21)[N+](=O)[O-] ZINC000847714411 641748338 /nfs/dbraw/zinc/74/83/38/641748338.db2.gz UABZFXHCBDAWFE-RYUDHWBXSA-N 0 3 292.335 2.036 20 5 CEBDHN COC(=O)N(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000850550049 642750512 /nfs/dbraw/zinc/75/05/12/642750512.db2.gz KKQGIFMHQOFDOK-LLVKDONJSA-N 0 3 295.339 2.252 20 5 CEBDHN C[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccns1 ZINC000877659687 650837816 /nfs/dbraw/zinc/83/78/16/650837816.db2.gz ZMFVAZVBPSOLEE-IDKOKCKLSA-N 0 3 293.352 2.302 20 5 CEBDHN CN(CC1=CCSC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852747738 643531874 /nfs/dbraw/zinc/53/18/74/643531874.db2.gz VPQRIJOUMDAHBO-CQSZACIVSA-N 0 3 294.376 2.233 20 5 CEBDHN C[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199796 644486952 /nfs/dbraw/zinc/48/69/52/644486952.db2.gz PDCVKTPRBFYQGF-SMDDNHRTSA-N 0 3 296.392 2.456 20 5 CEBDHN Cn1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(Cl)n1 ZINC000856769401 644715803 /nfs/dbraw/zinc/71/58/03/644715803.db2.gz NUIXLEQSBYFFBZ-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN COC(=O)C1=CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000862464599 646469355 /nfs/dbraw/zinc/46/93/55/646469355.db2.gz CMKBMYKDWLSATA-ZDUSSCGKSA-N 0 3 290.319 2.255 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(F)c1 ZINC000865697547 647429015 /nfs/dbraw/zinc/42/90/15/647429015.db2.gz ZETYQXOTPJBKIC-BKNSQDEOSA-N 0 3 292.310 2.247 20 5 CEBDHN CC(COC(=O)c1ccc2ccn(C)c2c1)[N+](=O)[O-] ZINC000870377376 648789964 /nfs/dbraw/zinc/78/99/64/648789964.db2.gz QIVGXGOAJNZISL-SECBINFHSA-N 0 3 262.265 2.000 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)O ZINC000872015942 649241050 /nfs/dbraw/zinc/24/10/50/649241050.db2.gz ANXHEUGWIQHLDA-DTWKUNHWSA-N 0 3 270.354 2.348 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CC(N)=O ZINC000872043679 649252748 /nfs/dbraw/zinc/25/27/48/649252748.db2.gz KJMULVUASBUPQK-DTWKUNHWSA-N 0 3 297.380 2.231 20 5 CEBDHN C[C@@H](NCCc1cncn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062034 649258609 /nfs/dbraw/zinc/25/86/09/649258609.db2.gz BPFWPVDDMIQENZ-SNVBAGLBSA-N 0 3 292.314 2.361 20 5 CEBDHN CCC(=O)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078867 649553743 /nfs/dbraw/zinc/55/37/43/649553743.db2.gz SEZOTHMBOUXESA-ZDUSSCGKSA-N 0 3 291.351 2.004 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](CF)C2)c1 ZINC000880237047 651406536 /nfs/dbraw/zinc/40/65/36/651406536.db2.gz PAOFQSXOXHIQJD-FZMZJTMJSA-N 0 3 282.315 2.310 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CF)C1 ZINC000880294491 651417456 /nfs/dbraw/zinc/41/74/56/651417456.db2.gz BULSQRZQLRETGO-NSHDSACASA-N 0 3 268.288 2.265 20 5 CEBDHN CC[C@@H](NCc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880471248 651446619 /nfs/dbraw/zinc/44/66/19/651446619.db2.gz YDRNHMKVFHPBBL-GHMZBOCLSA-N 0 3 283.328 2.186 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882576416 652143031 /nfs/dbraw/zinc/14/30/31/652143031.db2.gz WZWPBFBUMUZISU-VIFPVBQESA-N 0 3 282.319 2.414 20 5 CEBDHN C/C=C/C[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000883090151 652361120 /nfs/dbraw/zinc/36/11/20/652361120.db2.gz CYQFZCOKXDUUKE-QAVQXKDTSA-N 0 3 250.298 2.012 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)CC1CCC1 ZINC000883126312 652370988 /nfs/dbraw/zinc/37/09/88/652370988.db2.gz LPNGZNKBQVUIRC-ZDUSSCGKSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC(N3CCCC3)C2)c2ccccc21 ZINC000884554495 652912336 /nfs/dbraw/zinc/91/23/36/652912336.db2.gz VOGMYFCRCORTFU-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN CC/C(C)=C/C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126752615 806522086 /nfs/dbraw/zinc/52/20/86/806522086.db2.gz RIWRPYDIEYGORZ-FMIVXFBMSA-N 0 3 291.351 2.157 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000715593186 814975837 /nfs/dbraw/zinc/97/58/37/814975837.db2.gz FZFDMWBLHBHCKY-CQSZACIVSA-N 0 3 292.335 2.288 20 5 CEBDHN CC1(C)C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)O1 ZINC001168457067 807600414 /nfs/dbraw/zinc/60/04/14/807600414.db2.gz TZJNEFZBIQXDNS-NSHDSACASA-N 0 3 277.324 2.177 20 5 CEBDHN Cc1cc([N+](=O)[O-])cc(-n2ccc([C@H](C)N)n2)c1F ZINC001169235505 811440888 /nfs/dbraw/zinc/44/08/88/811440888.db2.gz WRCNQPQLMOASGJ-QMMMGPOBSA-N 0 3 264.260 2.248 20 5 CEBDHN C[C@H](N)c1ccn(-c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001169234230 811449838 /nfs/dbraw/zinc/44/98/38/811449838.db2.gz VQCBWXQANKICDE-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN C[C@@H](CCO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132971280 813068669 /nfs/dbraw/zinc/06/86/69/813068669.db2.gz QVNCHWRCHDOJHF-QMMMGPOBSA-N 0 3 258.705 2.109 20 5 CEBDHN Cc1[nH]ncc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116445809 814854528 /nfs/dbraw/zinc/85/45/28/814854528.db2.gz SVRGNNXZUHYZNC-UHFFFAOYSA-N 0 3 258.281 2.142 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCCF)c1F ZINC001173175786 815616613 /nfs/dbraw/zinc/61/66/13/815616613.db2.gz CYYJLNUYGUKUBS-MRVPVSSYSA-N 0 3 274.267 2.233 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(CN)n1 ZINC001173213569 815637384 /nfs/dbraw/zinc/63/73/84/815637384.db2.gz IUDFQFJNGZBYQU-JTQLQIEISA-N 0 3 260.297 2.054 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCC[C@@H]1O ZINC000601305662 346816075 /nfs/dbraw/zinc/81/60/75/346816075.db2.gz XEIMUJDFZPKXQH-SWHYSGLUSA-N 0 3 264.325 2.467 20 5 CEBDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000079914586 343993864 /nfs/dbraw/zinc/99/38/64/343993864.db2.gz PKRNPSWSIWTLKC-NSHDSACASA-N 0 3 264.329 2.134 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000125137811 187171186 /nfs/dbraw/zinc/17/11/86/187171186.db2.gz HLLJJHUOBPUYRT-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN CCC[C@@](C)(N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810262 361947795 /nfs/dbraw/zinc/94/77/95/361947795.db2.gz MHDDGEHLQZXZTO-CQSZACIVSA-N 0 3 279.340 2.071 20 5 CEBDHN C[C@@H](NC1CC1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449306223 282180643 /nfs/dbraw/zinc/18/06/43/282180643.db2.gz KFAOOPHXVJBXAD-SNVBAGLBSA-N 0 3 291.351 2.087 20 5 CEBDHN C[C@@H](NC[C@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745285 187198556 /nfs/dbraw/zinc/19/85/56/187198556.db2.gz ZAKYQYLDKDMNPY-DOMZBBRYSA-N 0 3 294.351 2.035 20 5 CEBDHN CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000126249397 187227879 /nfs/dbraw/zinc/22/78/79/187227879.db2.gz LOALTOWBGONFLH-UHFFFAOYSA-N 0 3 274.324 2.447 20 5 CEBDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294986382 199285545 /nfs/dbraw/zinc/28/55/45/199285545.db2.gz HCNKPZHVUIXMGC-PWSUYJOCSA-N 0 3 288.294 2.397 20 5 CEBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000007964206 343360390 /nfs/dbraw/zinc/36/03/90/343360390.db2.gz DIDIEGSGUSZNKH-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046444168 362182366 /nfs/dbraw/zinc/18/23/66/362182366.db2.gz UAIPSRUPIHFVGC-OCCSQVGLSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000046408564 343498666 /nfs/dbraw/zinc/49/86/66/343498666.db2.gz OVDHJTQGQVXXRQ-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CC1CCN(C[C@@H](O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000067373133 343734938 /nfs/dbraw/zinc/73/49/38/343734938.db2.gz YWDTWKMJNXDYMV-ZDUSSCGKSA-N 0 3 293.367 2.100 20 5 CEBDHN O=[N+]([O-])c1cnccc1N1CCCN(C2CCCC2)CC1 ZINC000077994968 343939069 /nfs/dbraw/zinc/93/90/69/343939069.db2.gz CRXVHWPMKFZIJX-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN Cc1c(CN[C@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000049075941 362332808 /nfs/dbraw/zinc/33/28/08/362332808.db2.gz ITCBREOJCYQWMW-LLVKDONJSA-N 0 3 274.324 2.278 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCCN(C)C2)c1 ZINC000088725860 344113720 /nfs/dbraw/zinc/11/37/20/344113720.db2.gz INCSFQFXBLRQDN-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(CC2CC2)C1 ZINC000092652083 344197323 /nfs/dbraw/zinc/19/73/23/344197323.db2.gz HXBGQEJAJZCIHC-GFCCVEGCSA-N 0 3 276.340 2.194 20 5 CEBDHN COc1cc(N2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000118289860 344291076 /nfs/dbraw/zinc/29/10/76/344291076.db2.gz BKHHKKOYYWDORC-UHFFFAOYSA-N 0 3 293.367 2.381 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@H](C)O ZINC000119046280 344293408 /nfs/dbraw/zinc/29/34/08/344293408.db2.gz AHGWRFVDTFIZNG-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000129670925 344346141 /nfs/dbraw/zinc/34/61/41/344346141.db2.gz AOROVKBPSZADIT-XDTLVQLUSA-N 0 3 264.325 2.405 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CO)CC1 ZINC000157351231 344445822 /nfs/dbraw/zinc/44/58/22/344445822.db2.gz UKMHKBXJCLDHJH-LLVKDONJSA-N 0 3 264.325 2.326 20 5 CEBDHN Cc1ccc([C@H](C)NCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000211104585 344531558 /nfs/dbraw/zinc/53/15/58/344531558.db2.gz RNRBNJANBJMXGG-NSHDSACASA-N 0 3 264.325 2.326 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000252883501 344642396 /nfs/dbraw/zinc/64/23/96/344642396.db2.gz VEEMRZYLOKRYBM-YDHLFZDLSA-N 0 3 276.336 2.106 20 5 CEBDHN CCOC1CC(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000602517175 347064778 /nfs/dbraw/zinc/06/47/78/347064778.db2.gz WTSKMZGNIYKSPP-UHFFFAOYSA-N 0 3 264.325 2.500 20 5 CEBDHN C[C@H](O)[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000584586028 344960124 /nfs/dbraw/zinc/96/01/24/344960124.db2.gz IGBQPMPKPDCGDM-YUMQZZPRSA-N 0 3 292.257 2.473 20 5 CEBDHN C[C@H]1CN2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744289 344982871 /nfs/dbraw/zinc/98/28/71/344982871.db2.gz UTUPPIFWPRDIGJ-AAEUAGOBSA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@@H](CO)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590020762 345111004 /nfs/dbraw/zinc/11/10/04/345111004.db2.gz GCILIKVECFDZHJ-SNVBAGLBSA-N 0 3 252.314 2.048 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052492 345111560 /nfs/dbraw/zinc/11/15/60/345111560.db2.gz DAPSLQRBYKQYSL-HIFRSBDPSA-N 0 3 275.352 2.039 20 5 CEBDHN Cc1nc(N2CCN(C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000590703945 345164421 /nfs/dbraw/zinc/16/44/21/345164421.db2.gz HADDGOBRWIYTRN-LLVKDONJSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000590599119 345150209 /nfs/dbraw/zinc/15/02/09/345150209.db2.gz CSTBSPUSINOWHZ-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160946 345227072 /nfs/dbraw/zinc/22/70/72/345227072.db2.gz MVDCCNUCAIRBQX-PWSUYJOCSA-N 0 3 294.330 2.192 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972405 345208578 /nfs/dbraw/zinc/20/85/78/345208578.db2.gz QHMHTBNPTANXFO-DOMZBBRYSA-N 0 3 292.335 2.084 20 5 CEBDHN C[C@@](O)(CNCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591758017 345277994 /nfs/dbraw/zinc/27/79/94/345277994.db2.gz KKYFKFOJYMSCRD-LLVKDONJSA-N 0 3 292.257 2.040 20 5 CEBDHN CC[C@H](C)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000592374823 345347614 /nfs/dbraw/zinc/34/76/14/345347614.db2.gz LLTWUEHIXUAGPG-WCQYABFASA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719502 345527003 /nfs/dbraw/zinc/52/70/03/345527003.db2.gz YZSQTJYVHXNJAB-JQWIXIFHSA-N 0 3 270.304 2.274 20 5 CEBDHN C[C@H](NCC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722810 345528092 /nfs/dbraw/zinc/52/80/92/345528092.db2.gz ZAYXZMVFEFBBNY-WFASDCNBSA-N 0 3 294.351 2.177 20 5 CEBDHN O=[N+]([O-])c1ncccc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594600000 345656987 /nfs/dbraw/zinc/65/69/87/345656987.db2.gz KYECQOIWIUEUCO-YPMHNXCESA-N 0 3 276.340 2.419 20 5 CEBDHN CO[C@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594708830 345675671 /nfs/dbraw/zinc/67/56/71/345675671.db2.gz CBILISHKIUSSAI-TYNCELHUSA-N 0 3 294.351 2.297 20 5 CEBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594968961 345719664 /nfs/dbraw/zinc/71/96/64/345719664.db2.gz XZMRPGDFKVMDDW-RDXCRGQUSA-N 0 3 296.392 2.374 20 5 CEBDHN COc1ccc(CNC[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594982401 345721269 /nfs/dbraw/zinc/72/12/69/345721269.db2.gz DTMYRVKBOBIXQS-ZDUSSCGKSA-N 0 3 294.351 2.102 20 5 CEBDHN CC[C@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020798 345728666 /nfs/dbraw/zinc/72/86/66/345728666.db2.gz NTDYMVLQEDZGJW-PWSUYJOCSA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1cccc(CCN[C@H]2CCCn3nccc32)c1 ZINC000595033196 345731689 /nfs/dbraw/zinc/73/16/89/345731689.db2.gz BQIRUXDEYXHZST-AWEZNQCLSA-N 0 3 286.335 2.459 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000595454712 345786836 /nfs/dbraw/zinc/78/68/36/345786836.db2.gz OGGVGTZTNJCYBI-ZWNOBZJWSA-N 0 3 282.315 2.375 20 5 CEBDHN CC(C)C[N@@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596164137 345957360 /nfs/dbraw/zinc/95/73/60/345957360.db2.gz WCHALZVYSZGCNV-NSHDSACASA-N 0 3 294.355 2.085 20 5 CEBDHN CC(C)C[N@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596164137 345957364 /nfs/dbraw/zinc/95/73/64/345957364.db2.gz WCHALZVYSZGCNV-NSHDSACASA-N 0 3 294.355 2.085 20 5 CEBDHN CC(C)C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070702 345932853 /nfs/dbraw/zinc/93/28/53/345932853.db2.gz ITIVZKLBJSIHIU-SNVBAGLBSA-N 0 3 282.344 2.084 20 5 CEBDHN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000596453883 346028021 /nfs/dbraw/zinc/02/80/21/346028021.db2.gz PYIBGEJRTFNUGC-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859028 346239814 /nfs/dbraw/zinc/23/98/14/346239814.db2.gz QCBKXXKCQVDIRK-ZDUSSCGKSA-N 0 3 291.351 2.197 20 5 CEBDHN CN(C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000522008546 313138987 /nfs/dbraw/zinc/13/89/87/313138987.db2.gz TZSPLDFYUCQKOX-LLVKDONJSA-N 0 3 291.273 2.349 20 5 CEBDHN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645330 346391322 /nfs/dbraw/zinc/39/13/22/346391322.db2.gz GVIDSUITOYHWJB-AAEUAGOBSA-N 0 3 264.325 2.045 20 5 CEBDHN O=[N+]([O-])c1ncccc1NC[C@H]1CCN1C1CCCC1 ZINC000599163043 346470397 /nfs/dbraw/zinc/47/03/97/346470397.db2.gz ADPIUQJCLZSNJL-GFCCVEGCSA-N 0 3 276.340 2.419 20 5 CEBDHN Cc1nc(NC[C@@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599164707 346470606 /nfs/dbraw/zinc/47/06/06/346470606.db2.gz KEMUIQJSAVPRDQ-ZDUSSCGKSA-N 0 3 290.367 2.149 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CCN1C1CCCC1 ZINC000599165739 346471194 /nfs/dbraw/zinc/47/11/94/346471194.db2.gz RTOVYTZMOWBOPW-GFCCVEGCSA-N 0 3 276.340 2.419 20 5 CEBDHN CO[C@H](C)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000336795747 365818300 /nfs/dbraw/zinc/81/83/00/365818300.db2.gz MZLMIJSIXIDWHX-SECBINFHSA-N 0 3 256.277 2.249 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000599622434 346546898 /nfs/dbraw/zinc/54/68/98/346546898.db2.gz DDCGENSZXHUWOU-FBKDDSFISA-N 0 3 264.325 2.496 20 5 CEBDHN C[C@@H]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])O1 ZINC000128452520 187370909 /nfs/dbraw/zinc/37/09/09/187370909.db2.gz RTZJLHOQOIYIEO-ZYHUDNBSSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000601127226 346761655 /nfs/dbraw/zinc/76/16/55/346761655.db2.gz CJXWFJDEZMKLPY-SCZZXKLOSA-N 0 3 280.303 2.166 20 5 CEBDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783200 347196396 /nfs/dbraw/zinc/19/63/96/347196396.db2.gz NOIFHGQTOHTUQN-NTZNESFSSA-N 0 3 278.356 2.481 20 5 CEBDHN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602787254 347198071 /nfs/dbraw/zinc/19/80/71/347198071.db2.gz JSAAZENNLCYSQM-UHFFFAOYSA-N 0 3 266.345 2.481 20 5 CEBDHN CCC(CC)(CC)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602793260 347200800 /nfs/dbraw/zinc/20/08/00/347200800.db2.gz IYRMCYYMYHTUDQ-UHFFFAOYSA-N 0 3 254.334 2.387 20 5 CEBDHN CC[C@@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602809350 347208501 /nfs/dbraw/zinc/20/85/01/347208501.db2.gz BGQNDWRKKLHDLW-PWSUYJOCSA-N 0 3 266.345 2.387 20 5 CEBDHN C[C@@H]1CC[C@H](NCc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810782 347209290 /nfs/dbraw/zinc/20/92/90/347209290.db2.gz JCRMVAHKEQNNEQ-FOGDFJRCSA-N 0 3 266.345 2.243 20 5 CEBDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813973 347210938 /nfs/dbraw/zinc/21/09/38/347210938.db2.gz AYUUVLXCUWWVKP-GMTAPVOTSA-N 0 3 266.345 2.195 20 5 CEBDHN CC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602761912 347187938 /nfs/dbraw/zinc/18/79/38/347187938.db2.gz ZRLLOKKBHZVDHH-LBPRGKRZSA-N 0 3 266.345 2.222 20 5 CEBDHN CC(C)(C)[C@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187316 347303342 /nfs/dbraw/zinc/30/33/42/347303342.db2.gz RHPMKPLHIZASGD-CYBMUJFWSA-N 0 3 289.339 2.281 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CSCCN1 ZINC000603421268 347366543 /nfs/dbraw/zinc/36/65/43/347366543.db2.gz YZDDRZUCQADWKM-VIFPVBQESA-N 0 3 287.772 2.365 20 5 CEBDHN CCOC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536199 362833431 /nfs/dbraw/zinc/83/34/31/362833431.db2.gz JNORRXPGZVLANZ-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN COCC[C@@H](COC)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829231 365892375 /nfs/dbraw/zinc/89/23/75/365892375.db2.gz BRUZDSXZISSRNC-AAEUAGOBSA-N 0 3 282.340 2.297 20 5 CEBDHN CC[C@@H](CN1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000609839866 347652432 /nfs/dbraw/zinc/65/24/32/347652432.db2.gz DHEJURNPDWGKRG-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)C1CC1 ZINC000611206787 347751065 /nfs/dbraw/zinc/75/10/65/347751065.db2.gz IFYHIGCSDROMCR-QMTHXVAHSA-N 0 3 264.325 2.359 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611516761 347789251 /nfs/dbraw/zinc/78/92/51/347789251.db2.gz TUNZWLYFFNKSMT-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000086468327 179299943 /nfs/dbraw/zinc/29/99/43/179299943.db2.gz JYZMKSCTXNYKSP-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CNC1C2CC3CC(C2)CC1C3 ZINC000339391982 215139791 /nfs/dbraw/zinc/13/97/91/215139791.db2.gz LNUGBUKAEALHKA-UHFFFAOYSA-N 0 3 290.367 2.243 20 5 CEBDHN COc1cc(CNCC[C@@H](C)F)c([N+](=O)[O-])cc1OC ZINC000339482218 215200085 /nfs/dbraw/zinc/20/00/85/215200085.db2.gz GTHXQSYAKTWHPJ-SECBINFHSA-N 0 3 286.303 2.450 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000357388359 233061097 /nfs/dbraw/zinc/06/10/97/233061097.db2.gz INLBGAUYWZOBNU-RYUDHWBXSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339623424 215273767 /nfs/dbraw/zinc/27/37/67/215273767.db2.gz YZOZCWWYGABEQD-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000412084755 233334683 /nfs/dbraw/zinc/33/46/83/233334683.db2.gz QSZAVSSMKGJAJB-DGCLKSJQSA-N 0 3 264.325 2.188 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000352186799 219351302 /nfs/dbraw/zinc/35/13/02/219351302.db2.gz NZIYDAVWIMKDAY-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN CN1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000108433496 186216633 /nfs/dbraw/zinc/21/66/33/186216633.db2.gz ILWHOGPYUMIGKA-LLVKDONJSA-N 0 3 292.339 2.058 20 5 CEBDHN Cc1c(CN(C)CCc2cnccn2)cccc1[N+](=O)[O-] ZINC000271394470 191113609 /nfs/dbraw/zinc/11/36/09/191113609.db2.gz VUXYXHNODMMXMV-UHFFFAOYSA-N 0 3 286.335 2.368 20 5 CEBDHN CC(C)Oc1nc(SCCN(C)C)ccc1[N+](=O)[O-] ZINC000563428556 313738882 /nfs/dbraw/zinc/73/88/82/313738882.db2.gz XNZJPYXZVBDCIJ-UHFFFAOYSA-N 0 3 285.369 2.431 20 5 CEBDHN CC1(C)[C@H](O)C[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000494477669 290975441 /nfs/dbraw/zinc/97/54/41/290975441.db2.gz SVFWZKMDGWBPQQ-BPIHMUFXSA-N 0 3 276.336 2.357 20 5 CEBDHN C[C@H](NCCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000271668421 191267382 /nfs/dbraw/zinc/26/73/82/191267382.db2.gz MUMIHBOLBNNXLO-NSHDSACASA-N 0 3 280.324 2.399 20 5 CEBDHN CSC[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154471666 188143903 /nfs/dbraw/zinc/14/39/03/188143903.db2.gz FVCBKULEOPKSEV-KGLIPLIRSA-N 0 3 296.392 2.456 20 5 CEBDHN COCC(C)(C)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000292457019 198295954 /nfs/dbraw/zinc/29/59/54/198295954.db2.gz YMGIDCCSGRVEMV-UHFFFAOYSA-N 0 3 282.340 2.330 20 5 CEBDHN Cc1ccc(CN[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000134238590 366302642 /nfs/dbraw/zinc/30/26/42/366302642.db2.gz FAHCQELEGXULEH-PWSUYJOCSA-N 0 3 250.298 2.170 20 5 CEBDHN CS[C@@H]1CCCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134571291 366340939 /nfs/dbraw/zinc/34/09/39/366340939.db2.gz IIMZVNGBRHXTFX-LLVKDONJSA-N 0 3 284.385 2.009 20 5 CEBDHN CN(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134795827 366361143 /nfs/dbraw/zinc/36/11/43/366361143.db2.gz DSCYGTNOMACSKL-LLVKDONJSA-N 0 3 297.742 2.024 20 5 CEBDHN CC(C)[C@@H](O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913647 366372489 /nfs/dbraw/zinc/37/24/89/366372489.db2.gz SZBLCTNJFUYRPY-LBPRGKRZSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@H](CO)[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135469053 366444205 /nfs/dbraw/zinc/44/42/05/366444205.db2.gz FHIINLMUKPDNPJ-VWYCJHECSA-N 0 3 252.314 2.262 20 5 CEBDHN C[C@H]1CCC[C@@H](CO)N1CCOc1ccccc1[N+](=O)[O-] ZINC000136163850 366499870 /nfs/dbraw/zinc/49/98/70/366499870.db2.gz IZESVCBLGWLKNQ-STQMWFEESA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)(NCCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000297557529 200227307 /nfs/dbraw/zinc/22/73/07/200227307.db2.gz ATQNCYCJEGKVJX-UHFFFAOYSA-N 0 3 274.324 2.385 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1[C@@H](C)CCC[C@@H]1C ZINC000341938193 216159520 /nfs/dbraw/zinc/15/95/20/216159520.db2.gz TWODFABXCIXCNU-STQMWFEESA-N 0 3 292.383 2.395 20 5 CEBDHN C[C@H](NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092587 361579205 /nfs/dbraw/zinc/57/92/05/361579205.db2.gz YZVNVYAHJBPLQF-GWCFXTLKSA-N 0 3 250.298 2.424 20 5 CEBDHN CCCN(CCC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027271023 361649634 /nfs/dbraw/zinc/64/96/34/361649634.db2.gz AYXOCULKEBFSJR-UHFFFAOYSA-N 0 3 279.340 2.316 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000090795386 364065712 /nfs/dbraw/zinc/06/57/12/364065712.db2.gz OGHOLTIOHHYWBC-GHMZBOCLSA-N 0 3 279.340 2.498 20 5 CEBDHN CCOCCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000093317846 364163343 /nfs/dbraw/zinc/16/33/43/364163343.db2.gz JLPVZKNXABQRSL-UHFFFAOYSA-N 0 3 282.340 2.332 20 5 CEBDHN CC(C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000111385851 364732582 /nfs/dbraw/zinc/73/25/82/364732582.db2.gz HOQXANSUVVOQJT-UHFFFAOYSA-N 0 3 290.266 2.057 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000245409941 370816124 /nfs/dbraw/zinc/81/61/24/370816124.db2.gz ORISGIALUAEXIS-WCQYABFASA-N 0 3 264.329 2.056 20 5 CEBDHN CNC(=O)C(C)(C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000120282452 365400655 /nfs/dbraw/zinc/40/06/55/365400655.db2.gz PYVSMLIBPPRNMC-UHFFFAOYSA-N 0 3 299.758 2.110 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000159751451 366945054 /nfs/dbraw/zinc/94/50/54/366945054.db2.gz IOVVWMFXELHFLP-OCCSQVGLSA-N 0 3 264.325 2.188 20 5 CEBDHN N[C@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000582840232 366964787 /nfs/dbraw/zinc/96/47/87/366964787.db2.gz PQAKLYRLZCNBKF-ZDUSSCGKSA-N 0 3 272.308 2.176 20 5 CEBDHN COc1ccc(CN(C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000171040885 367466678 /nfs/dbraw/zinc/46/66/78/367466678.db2.gz WMTGSNBMUQSGEH-LBPRGKRZSA-N 0 3 280.324 2.072 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000171068205 367470186 /nfs/dbraw/zinc/47/01/86/367470186.db2.gz VZXXXHYRVAXJPD-LBPRGKRZSA-N 0 3 292.339 2.071 20 5 CEBDHN Cc1c(NC(=O)N2CC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000171070768 367471116 /nfs/dbraw/zinc/47/11/16/367471116.db2.gz WZUZUQJUVKVYIV-NSHDSACASA-N 0 3 292.339 2.071 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000171377556 367531359 /nfs/dbraw/zinc/53/13/59/367531359.db2.gz JCIMWSVBFWEFMC-CYBMUJFWSA-N 0 3 292.335 2.180 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](C2OCCO2)C1 ZINC000171377545 367531516 /nfs/dbraw/zinc/53/15/16/367531516.db2.gz JCIMWSVBFWEFMC-ZDUSSCGKSA-N 0 3 292.335 2.180 20 5 CEBDHN CC[C@H](NC[C@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051543 370886557 /nfs/dbraw/zinc/88/65/57/370886557.db2.gz WODRHCBQGHGGDG-QEJZJMRPSA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343425703 367806405 /nfs/dbraw/zinc/80/64/05/367806405.db2.gz FBBUHQBDHPWUBA-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccnc(N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343473752 367835657 /nfs/dbraw/zinc/83/56/57/367835657.db2.gz LDCZBHIAQWMQFO-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H](NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000173352170 367900627 /nfs/dbraw/zinc/90/06/27/367900627.db2.gz LUGGHAUYIKCKJY-BXUZGUMPSA-N 0 3 263.341 2.340 20 5 CEBDHN CCOC(=O)C[C@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000182624508 368571786 /nfs/dbraw/zinc/57/17/86/368571786.db2.gz GBXLQFYEJIUTJI-NSHDSACASA-N 0 3 280.324 2.368 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1O ZINC000185167997 368758811 /nfs/dbraw/zinc/75/88/11/368758811.db2.gz FUARYOMJUBGPNS-ZIAGYGMSSA-N 0 3 264.325 2.296 20 5 CEBDHN Cc1cc(NC[C@@H](C)N2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348177091 368934078 /nfs/dbraw/zinc/93/40/78/368934078.db2.gz HAYYWTJHLMTERE-QWHCGFSZSA-N 0 3 292.383 2.395 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000348545895 369081419 /nfs/dbraw/zinc/08/14/19/369081419.db2.gz LMHLCOLXCYLMRK-CYBMUJFWSA-N 0 3 277.368 2.429 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000188850215 369419421 /nfs/dbraw/zinc/41/94/21/369419421.db2.gz SQDYMKBYJHFPAS-BXUZGUMPSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCOC1 ZINC000276355355 193297282 /nfs/dbraw/zinc/29/72/82/193297282.db2.gz XICSWKKPMWNCSM-LLVKDONJSA-N 0 3 268.288 2.202 20 5 CEBDHN C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000191175287 369688606 /nfs/dbraw/zinc/68/86/06/369688606.db2.gz SLYUHQDAQBMZBN-YABQJVKDSA-N 0 3 276.336 2.311 20 5 CEBDHN CC1(C)CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191306321 369700361 /nfs/dbraw/zinc/70/03/61/369700361.db2.gz TXLHGEQEGTXABB-ZDUSSCGKSA-N 0 3 291.351 2.362 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCOC[C@@H]1C ZINC000192131106 369775391 /nfs/dbraw/zinc/77/53/91/369775391.db2.gz RSUBBNGWOYUKOS-GWCFXTLKSA-N 0 3 280.324 2.118 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000352697297 369842322 /nfs/dbraw/zinc/84/23/22/369842322.db2.gz KSQVBNSEOFZGQE-GFCCVEGCSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@@H](NCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000224009046 370274769 /nfs/dbraw/zinc/27/47/69/370274769.db2.gz BBWJUPULFJGRQC-LLVKDONJSA-N 0 3 252.314 2.408 20 5 CEBDHN CC[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228051061 370394733 /nfs/dbraw/zinc/39/47/33/370394733.db2.gz OYWKWGORFDWLEX-UGFHNGPFSA-N 0 3 294.351 2.175 20 5 CEBDHN Cn1ccc(CCNC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354637528 370445497 /nfs/dbraw/zinc/44/54/97/370445497.db2.gz JGEIJNDJLSUVQS-XQRVVYSFSA-N 0 3 286.335 2.174 20 5 CEBDHN CCC[C@@H](CCO)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000231383025 370479223 /nfs/dbraw/zinc/47/92/23/370479223.db2.gz YCJCZIAGTZUJGN-LBPRGKRZSA-N 0 3 296.367 2.492 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000236411429 370588190 /nfs/dbraw/zinc/58/81/90/370588190.db2.gz YSAOPYKDBMLUNA-GXTWGEPZSA-N 0 3 262.309 2.252 20 5 CEBDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000252733311 371474083 /nfs/dbraw/zinc/47/40/83/371474083.db2.gz YUKUKGCSOGWEBT-ADWYPQAOSA-N 0 3 284.381 2.403 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000353332339 220030561 /nfs/dbraw/zinc/03/05/61/220030561.db2.gz QDAPIOUNESBEBM-CQSZACIVSA-N 0 3 275.352 2.263 20 5 CEBDHN COCCCN(C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000287328134 376208676 /nfs/dbraw/zinc/20/86/76/376208676.db2.gz OCRSWRJTPDTFCX-UHFFFAOYSA-N 0 3 285.319 2.114 20 5 CEBDHN Cc1c([C@@H](C)NC[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965524 372147838 /nfs/dbraw/zinc/14/78/38/372147838.db2.gz GQEKQJLLQCKITO-KCJUWKMLSA-N 0 3 274.267 2.180 20 5 CEBDHN CCO[C@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000362027767 372178819 /nfs/dbraw/zinc/17/88/19/372178819.db2.gz OKTYNALTJHEVJA-HIFRSBDPSA-N 0 3 294.351 2.187 20 5 CEBDHN C[C@@H](NC[C@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269000890 372310443 /nfs/dbraw/zinc/31/04/43/372310443.db2.gz UUYHONINBHYZDC-ZWNOBZJWSA-N 0 3 282.365 2.113 20 5 CEBDHN C[C@H](NC[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269000880 372311123 /nfs/dbraw/zinc/31/11/23/372311123.db2.gz UUYHONINBHYZDC-GWCFXTLKSA-N 0 3 282.365 2.113 20 5 CEBDHN C[C@@]1(CNCc2csc([N+](=O)[O-])c2)CCOC1 ZINC000344371186 217172224 /nfs/dbraw/zinc/17/22/24/217172224.db2.gz BSBJSIZZHPNGND-NSHDSACASA-N 0 3 256.327 2.173 20 5 CEBDHN Cc1c(CN(C)C[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270104926 372668155 /nfs/dbraw/zinc/66/81/55/372668155.db2.gz LRJVKJBYNQAVKX-HIFRSBDPSA-N 0 3 278.352 2.496 20 5 CEBDHN CCN(CCCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270756629 372937988 /nfs/dbraw/zinc/93/79/88/372937988.db2.gz WCEAQUROINCDOW-NSHDSACASA-N 0 3 252.314 2.360 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCCCCC[C@H]32)n1 ZINC000369454108 373420095 /nfs/dbraw/zinc/42/00/95/373420095.db2.gz YAPASJIMRWHUTR-QWHCGFSZSA-N 0 3 278.356 2.446 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131774925 220200715 /nfs/dbraw/zinc/20/07/15/220200715.db2.gz SNJIJLAUNMNMRK-UHFFFAOYSA-N 0 3 297.330 2.148 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C1CCC1 ZINC000370046311 373565270 /nfs/dbraw/zinc/56/52/70/373565270.db2.gz QTUYCZPBXSBOOU-LLVKDONJSA-N 0 3 264.329 2.093 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1NCC1=CCN(C)CC1 ZINC000274032199 373788227 /nfs/dbraw/zinc/78/82/27/373788227.db2.gz XBGZDUFIBSHFCL-UHFFFAOYSA-N 0 3 291.351 2.415 20 5 CEBDHN CCOc1cc(CN2CC[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276836852 374320231 /nfs/dbraw/zinc/32/02/31/374320231.db2.gz BWBHWCXSVHWIIS-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN CCOc1cc(CN2CC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276964003 374361640 /nfs/dbraw/zinc/36/16/40/374361640.db2.gz VVLZTNPWQGWLBZ-WCQYABFASA-N 0 3 294.351 2.196 20 5 CEBDHN COCC(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000276924682 374348138 /nfs/dbraw/zinc/34/81/38/374348138.db2.gz LNKOCJGMJDSPDD-UHFFFAOYSA-N 0 3 252.314 2.357 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000373985393 374462448 /nfs/dbraw/zinc/46/24/48/374462448.db2.gz XLTPTVSUTWEMBX-UKRRQHHQSA-N 0 3 292.335 2.261 20 5 CEBDHN CC1(C)C[C@@H](NCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279094611 374842156 /nfs/dbraw/zinc/84/21/56/374842156.db2.gz NSFZGGHKQRSKGH-CYBMUJFWSA-N 0 3 264.325 2.289 20 5 CEBDHN CN(C)[C@@]1(CNc2cc(N)ccc2[N+](=O)[O-])CCSC1 ZINC000282171891 375420843 /nfs/dbraw/zinc/42/08/43/375420843.db2.gz IENXKLMDOPAZRH-CYBMUJFWSA-N 0 3 296.396 2.026 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414537424 375840883 /nfs/dbraw/zinc/84/08/83/375840883.db2.gz YZCWDIAURMFAKF-KGLIPLIRSA-N 0 3 266.341 2.480 20 5 CEBDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000286461266 375960499 /nfs/dbraw/zinc/96/04/99/375960499.db2.gz KIRSVOAOPOMNLG-YOPIWALVSA-N 0 3 288.347 2.450 20 5 CEBDHN Cc1c(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414715262 375936542 /nfs/dbraw/zinc/93/65/42/375936542.db2.gz WFXPRDCSRYTIFN-ZJUUUORDSA-N 0 3 292.339 2.117 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286651568 376025663 /nfs/dbraw/zinc/02/56/63/376025663.db2.gz UFVUWKNAYMVMKK-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000556953458 376524566 /nfs/dbraw/zinc/52/45/66/376524566.db2.gz BKQABLYYDRUXAT-CQSZACIVSA-N 0 3 277.368 2.429 20 5 CEBDHN COc1cc(CN(C[C@H](C)O)C(C)C)ccc1[N+](=O)[O-] ZINC000305863225 376523225 /nfs/dbraw/zinc/52/32/25/376523225.db2.gz YVEHXEYKNHRPTF-NSHDSACASA-N 0 3 282.340 2.195 20 5 CEBDHN Cc1cc(NCCOCCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000313077072 376737273 /nfs/dbraw/zinc/73/72/73/376737273.db2.gz KWZKARJDQOAFAD-UHFFFAOYSA-N 0 3 285.319 2.032 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290831881 376945134 /nfs/dbraw/zinc/94/51/34/376945134.db2.gz URXBELLAUQPDTA-GXSJLCMTSA-N 0 3 276.340 2.214 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCC[C@@H]1O ZINC000563415746 377216699 /nfs/dbraw/zinc/21/66/99/377216699.db2.gz FSRNPUDSUQONJD-IPYPFGDCSA-N 0 3 276.336 2.475 20 5 CEBDHN COc1ccc(CNC[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000292960801 377371816 /nfs/dbraw/zinc/37/18/16/377371816.db2.gz JLUNHQVYQYCEOS-CQSZACIVSA-N 0 3 280.324 2.118 20 5 CEBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000293013013 377394359 /nfs/dbraw/zinc/39/43/59/377394359.db2.gz ODVRZEXEAOOEMN-CYBMUJFWSA-N 0 3 282.340 2.243 20 5 CEBDHN C[C@H]1CCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000293056822 377410134 /nfs/dbraw/zinc/41/01/34/377410134.db2.gz RZQXVOCDUXKTPP-FZMZJTMJSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1ccc(CNCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000283827719 249359298 /nfs/dbraw/zinc/35/92/98/249359298.db2.gz DUYWPXDJECIAOQ-UHFFFAOYSA-N 0 3 264.325 2.298 20 5 CEBDHN CC[C@@H](O)[C@H](CC)NCc1ccccc1[N+](=O)[O-] ZINC000313097400 249382219 /nfs/dbraw/zinc/38/22/19/249382219.db2.gz DUJBIKWSCGZEGZ-WCQYABFASA-N 0 3 252.314 2.234 20 5 CEBDHN CCCN(CCN1CCCC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295644506 378249040 /nfs/dbraw/zinc/24/90/40/378249040.db2.gz FGIMXWMFSZLZPB-UHFFFAOYSA-N 0 3 293.371 2.005 20 5 CEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN3CCC2CC3)c1 ZINC000450476455 378439034 /nfs/dbraw/zinc/43/90/34/378439034.db2.gz PUFNFDIPOMURQO-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN COC[C@](C)(O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257388 378843919 /nfs/dbraw/zinc/84/39/19/378843919.db2.gz NCGUGEZIKXUHSA-BXUZGUMPSA-N 0 3 282.340 2.033 20 5 CEBDHN CC[C@@H](Cn1cncn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248703 378838644 /nfs/dbraw/zinc/83/86/44/378838644.db2.gz RHIYXUYPQICIAN-AAEUAGOBSA-N 0 3 289.339 2.316 20 5 CEBDHN CC[C@@H](C)[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000453586967 378915104 /nfs/dbraw/zinc/91/51/04/378915104.db2.gz SLUYVPBYUVFHLC-MRVPVSSYSA-N 0 3 254.286 2.197 20 5 CEBDHN CC(C)(C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000278693960 194107039 /nfs/dbraw/zinc/10/70/39/194107039.db2.gz JJIVEEXJDOFOMC-LBPRGKRZSA-N 0 3 270.304 2.231 20 5 CEBDHN CN(C)CCN(Cc1ccco1)c1ncccc1[N+](=O)[O-] ZINC000268366840 190397985 /nfs/dbraw/zinc/39/79/85/190397985.db2.gz XWSYMABKRQBIIO-UHFFFAOYSA-N 0 3 290.323 2.151 20 5 CEBDHN CCN1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000279051521 194265140 /nfs/dbraw/zinc/26/51/40/194265140.db2.gz MHTYKCARGMTQBI-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CC1(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000555779149 380847576 /nfs/dbraw/zinc/84/75/76/380847576.db2.gz PXISLILWEZLHPU-UHFFFAOYSA-N 0 3 290.367 2.302 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2cscn2)cc1 ZINC000111626954 285115182 /nfs/dbraw/zinc/11/51/82/285115182.db2.gz NIASLHFPUXKKDJ-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN C[C@@H](Cc1cnn(C)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000350511763 219031858 /nfs/dbraw/zinc/03/18/58/219031858.db2.gz HERRCFKNRZHIQR-NSHDSACASA-N 0 3 274.324 2.049 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281768005 195372636 /nfs/dbraw/zinc/37/26/36/195372636.db2.gz SEJOHNYMJUVGAL-SWLSCSKDSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1c(C(=O)N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421706181 394571195 /nfs/dbraw/zinc/57/11/95/394571195.db2.gz UEDDJYASXXYGFV-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000051555029 394556285 /nfs/dbraw/zinc/55/62/85/394556285.db2.gz KKUUTSIYIMMJNY-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000272749419 394775720 /nfs/dbraw/zinc/77/57/20/394775720.db2.gz DTFZAEKWKBGOOQ-SNVBAGLBSA-N 0 3 262.313 2.052 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H](CO)C1 ZINC000276829679 394815609 /nfs/dbraw/zinc/81/56/09/394815609.db2.gz WJQHOJJZAJVCBB-UTUOFQBUSA-N 0 3 264.325 2.216 20 5 CEBDHN CCN1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285982156 394994699 /nfs/dbraw/zinc/99/46/99/394994699.db2.gz MERWFSLYGFCERG-UHFFFAOYSA-N 0 3 299.321 2.401 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@]3(CCOC3)C2)cc1 ZINC000153384183 395006144 /nfs/dbraw/zinc/00/61/44/395006144.db2.gz MTMXDLZVJRDHMC-AWEZNQCLSA-N 0 3 262.309 2.207 20 5 CEBDHN COCCN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000343317133 395037600 /nfs/dbraw/zinc/03/76/00/395037600.db2.gz CHFMMAUMPMQMHN-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]2Cc2ccccc2)n1 ZINC000437851526 395200388 /nfs/dbraw/zinc/20/03/88/395200388.db2.gz SQOKDJWNVAGKAP-AWEZNQCLSA-N 0 3 286.335 2.108 20 5 CEBDHN C[C@H](CCCO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000394967606 395212027 /nfs/dbraw/zinc/21/20/27/395212027.db2.gz ANAKLKUKBWQGPF-SNVBAGLBSA-N 0 3 270.304 2.232 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451262254 395600661 /nfs/dbraw/zinc/60/06/61/395600661.db2.gz XCHUFIXYGRUEGN-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000221345611 153313236 /nfs/dbraw/zinc/31/32/36/153313236.db2.gz FYOVKMXAOHMGJU-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN CC(C)COCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000367249709 156155638 /nfs/dbraw/zinc/15/56/38/156155638.db2.gz APHASPQWIOQWJJ-UHFFFAOYSA-N 0 3 296.371 2.101 20 5 CEBDHN CCCO[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853467 165118755 /nfs/dbraw/zinc/11/87/55/165118755.db2.gz QVTCQLCGBLKSAX-AWEZNQCLSA-N 0 3 296.371 2.072 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)N(C)C)C1 ZINC000411938988 287152637 /nfs/dbraw/zinc/15/26/37/287152637.db2.gz NCQPMNKIMBIILY-RYUDHWBXSA-N 0 3 291.351 2.066 20 5 CEBDHN CCC[C@H](NC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601471 172290117 /nfs/dbraw/zinc/29/01/17/172290117.db2.gz WMLAQAPLLCPWDD-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H](NCCC1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285283947 196240207 /nfs/dbraw/zinc/24/02/07/196240207.db2.gz ZKNOIGJPFFMGHT-GFCCVEGCSA-N 0 3 294.351 2.177 20 5 CEBDHN Cc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000046467742 175396922 /nfs/dbraw/zinc/39/69/22/175396922.db2.gz QTIAVBDXFDRIDZ-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1ccnc(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000070496170 175957156 /nfs/dbraw/zinc/95/71/56/175957156.db2.gz HQBSLVSCNIRTDS-UHFFFAOYSA-N 0 3 264.329 2.196 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](O)C1CC1 ZINC000071304834 176115060 /nfs/dbraw/zinc/11/50/60/176115060.db2.gz WFHLKEWNJLGTTM-GFCCVEGCSA-N 0 3 270.716 2.109 20 5 CEBDHN CCCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000072013524 176308939 /nfs/dbraw/zinc/30/89/39/176308939.db2.gz QRVOBZAHPYKEFU-UHFFFAOYSA-N 0 3 295.339 2.134 20 5 CEBDHN CCCNC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518795886 262342298 /nfs/dbraw/zinc/34/22/98/262342298.db2.gz IHNVIPNCGALOTK-CYBMUJFWSA-N 0 3 291.351 2.088 20 5 CEBDHN CO[C@H](CN(C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425454751 264328974 /nfs/dbraw/zinc/32/89/74/264328974.db2.gz FKRHLWPMMLOSPF-OAHLLOKOSA-N 0 3 278.352 2.494 20 5 CEBDHN CCCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000192935525 270281696 /nfs/dbraw/zinc/28/16/96/270281696.db2.gz TWJSXZLNLZRRDY-UHFFFAOYSA-N 0 3 277.368 2.431 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCCOC(F)F)c1 ZINC000193663113 270287752 /nfs/dbraw/zinc/28/77/52/270287752.db2.gz RGKJVVPNOYCFPI-UHFFFAOYSA-N 0 3 260.240 2.314 20 5 CEBDHN Cc1cc(NC[C@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000193950521 270290935 /nfs/dbraw/zinc/29/09/35/270290935.db2.gz ZKSMOKSWSBLZDM-AWEZNQCLSA-N 0 3 293.367 2.162 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000395157349 270345103 /nfs/dbraw/zinc/34/51/03/270345103.db2.gz CJGGVNGGPSVOQJ-JSGCOSHPSA-N 0 3 264.325 2.188 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000438336592 271724622 /nfs/dbraw/zinc/72/46/22/271724622.db2.gz AYAKWZPUDOOKSA-XQRVVYSFSA-N 0 3 276.336 2.312 20 5 CEBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN2CCC[C@H]2C1 ZINC000291707388 275041770 /nfs/dbraw/zinc/04/17/70/275041770.db2.gz VEEFXWVUZNUHSN-LBPRGKRZSA-N 0 3 298.346 2.427 20 5 CEBDHN CC1(C)CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000212811062 275850329 /nfs/dbraw/zinc/85/03/29/275850329.db2.gz KTNAPXGXIYPVKS-UHFFFAOYSA-N 0 3 269.732 2.436 20 5 CEBDHN CN1CCC[C@]2(CCN(c3cc(N)ccc3[N+](=O)[O-])C2)C1 ZINC000292824255 277087040 /nfs/dbraw/zinc/08/70/40/277087040.db2.gz PFPDFVGBNDRYHZ-HNNXBMFYSA-N 0 3 290.367 2.099 20 5 CEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282626 278083309 /nfs/dbraw/zinc/08/33/09/278083309.db2.gz FCLWGERFRGXYSS-NEPJUHHUSA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@H](NCCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000049075176 279473120 /nfs/dbraw/zinc/47/31/20/279473120.db2.gz SVONXLQDCAEXNZ-NSHDSACASA-N 0 3 260.297 2.142 20 5 CEBDHN CCOCC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726945 279723568 /nfs/dbraw/zinc/72/35/68/279723568.db2.gz NOVHNFSZVSNOCQ-SMDDNHRTSA-N 0 3 282.340 2.033 20 5 CEBDHN COC(C)(C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000135229989 280039782 /nfs/dbraw/zinc/03/97/82/280039782.db2.gz QSKCKAXDXKTZLH-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(C)CC2)n1 ZINC000359100171 280399871 /nfs/dbraw/zinc/39/98/71/280399871.db2.gz CKXLDYSBRKEYNG-UHFFFAOYSA-N 0 3 264.329 2.113 20 5 CEBDHN CN(C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000397905228 280687478 /nfs/dbraw/zinc/68/74/78/280687478.db2.gz VOLHEPBQHLBFRW-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464568 281048061 /nfs/dbraw/zinc/04/80/61/281048061.db2.gz BNRQJBSSFMPAPD-CABZTGNLSA-N 0 3 285.294 2.243 20 5 CEBDHN CCC[C@@H](NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530421 281063637 /nfs/dbraw/zinc/06/36/37/281063637.db2.gz WRLQNCDUZGHOJK-LSDHHAIUSA-N 0 3 293.367 2.014 20 5 CEBDHN C[C@H](N[C@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455983 281238002 /nfs/dbraw/zinc/23/80/02/281238002.db2.gz SOFAUCDPWXXVEG-WPRPVWTQSA-N 0 3 274.267 2.262 20 5 CEBDHN C[C@@H](N[C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462439 281239103 /nfs/dbraw/zinc/23/91/03/281239103.db2.gz BGRHWAZNKFLRSZ-SCZZXKLOSA-N 0 3 274.267 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)[C@@H]1CCCO1 ZINC000447903138 281888019 /nfs/dbraw/zinc/88/80/19/281888019.db2.gz GRWUVMZTXWYNKV-CQDKDKBSSA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826437 289068084 /nfs/dbraw/zinc/06/80/84/289068084.db2.gz NDOXSRCMAXNMSL-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H](N[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963600 290007955 /nfs/dbraw/zinc/00/79/55/290007955.db2.gz JUYDPKFPMAIZOC-WDEREUQCSA-N 0 3 250.298 2.424 20 5 CEBDHN CN1CCC(CC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000487561185 290352958 /nfs/dbraw/zinc/35/29/58/290352958.db2.gz RJROKIRAXOZNQB-UHFFFAOYSA-N 0 3 295.314 2.404 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCC1 ZINC000539048754 298243568 /nfs/dbraw/zinc/24/35/68/298243568.db2.gz CVOZCIALDOXOKD-GFCCVEGCSA-N 0 3 263.341 2.260 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000566305290 298965670 /nfs/dbraw/zinc/96/56/70/298965670.db2.gz WMCOEHJJLGVNLO-RISCZKNCSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1cnc(N2CCN(C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294916839 302350564 /nfs/dbraw/zinc/35/05/64/302350564.db2.gz JNMNHOMWWXFGJE-GFCCVEGCSA-N 0 3 290.367 2.219 20 5 CEBDHN CNC(=O)CCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000515308552 313068199 /nfs/dbraw/zinc/06/81/99/313068199.db2.gz PNXBMCXPXHRGSW-UHFFFAOYSA-N 0 3 291.351 2.085 20 5 CEBDHN CN1CCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576153633 314247458 /nfs/dbraw/zinc/24/74/58/314247458.db2.gz CZOPVKJAEOKHMB-LBPRGKRZSA-N 0 3 290.367 2.375 20 5 CEBDHN Cc1cc(N2C[C@H]3CCC[C@@H](C2)N3)ccc1[N+](=O)[O-] ZINC000577085968 314340919 /nfs/dbraw/zinc/34/09/19/314340919.db2.gz ZDUIMKGWKCMSKZ-TXEJJXNPSA-N 0 3 261.325 2.234 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(CC(F)F)C1 ZINC000418141683 534887033 /nfs/dbraw/zinc/88/70/33/534887033.db2.gz XEAMOXSOPVAXMM-NSHDSACASA-N 0 3 285.294 2.024 20 5 CEBDHN Cc1cc(C(=O)N(C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000068192579 526218829 /nfs/dbraw/zinc/21/88/29/526218829.db2.gz CKTZEDUPUMLOFZ-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1c(NCCN2CCCCC2)nc2sccn21 ZINC000048065696 527322246 /nfs/dbraw/zinc/32/22/46/527322246.db2.gz QXRNEHKNOCMPHO-UHFFFAOYSA-N 0 3 295.368 2.202 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000123929015 529079913 /nfs/dbraw/zinc/07/99/13/529079913.db2.gz NCXTVEGMZLCVGM-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732215033 574614851 /nfs/dbraw/zinc/61/48/51/574614851.db2.gz ZXGSKDHYISJAEX-CQSZACIVSA-N 0 3 293.342 2.402 20 5 CEBDHN Cc1ccc(CN[C@@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268998 567924188 /nfs/dbraw/zinc/92/41/88/567924188.db2.gz AZXKKJXZEHVNGI-ZIAGYGMSSA-N 0 3 276.336 2.418 20 5 CEBDHN C[C@@H](N[C@@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049670 575147457 /nfs/dbraw/zinc/14/74/57/575147457.db2.gz UWEPGVRCQHSFEU-MFKMUULPSA-N 0 3 264.325 2.406 20 5 CEBDHN CO[C@H](C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083625 575246208 /nfs/dbraw/zinc/24/62/08/575246208.db2.gz WLJXAMWAYSVECN-DOMZBBRYSA-N 0 3 296.367 2.374 20 5 CEBDHN CC(C)(C)NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090298203 623526316 /nfs/dbraw/zinc/52/63/16/623526316.db2.gz GSYLSXFOXKREGV-UHFFFAOYSA-N 0 3 289.339 2.123 20 5 CEBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000892622429 627319094 /nfs/dbraw/zinc/31/90/94/627319094.db2.gz PHYOCBIFPMDYCO-CJYSPXJISA-N 0 3 294.351 2.438 20 5 CEBDHN C[C@@H](N[C@@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833695 627717644 /nfs/dbraw/zinc/71/76/44/627717644.db2.gz BGDJOGJQVANBGR-HOSYDEDBSA-N 0 3 250.298 2.280 20 5 CEBDHN CCCCN(CC[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000930828256 628280720 /nfs/dbraw/zinc/28/07/20/628280720.db2.gz ZILZZYUSNRTTOE-LLVKDONJSA-N 0 3 283.397 2.379 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCO[C@H]2CCCCO2)c1 ZINC000894798664 629646889 /nfs/dbraw/zinc/64/68/89/629646889.db2.gz FRBJUKYWBSRQPS-AWEZNQCLSA-N 0 3 280.324 2.228 20 5 CEBDHN CCN1[C@H](C)CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000895099411 629894540 /nfs/dbraw/zinc/89/45/40/629894540.db2.gz HDBXCXIUMQCSOW-TXEJJXNPSA-N 0 3 278.356 2.217 20 5 CEBDHN CC(=O)OC[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896510388 630578838 /nfs/dbraw/zinc/57/88/38/630578838.db2.gz NEVCWRJADWJKSE-NXEZZACHSA-N 0 3 266.297 2.197 20 5 CEBDHN CC(COC(=O)C(C)(C)c1cccs1)[N+](=O)[O-] ZINC000813105035 632622625 /nfs/dbraw/zinc/62/26/25/632622625.db2.gz UGWLDOCACNFCNJ-QMMMGPOBSA-N 0 3 257.311 2.234 20 5 CEBDHN CC(COC(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813105693 632623578 /nfs/dbraw/zinc/62/35/78/632623578.db2.gz RWFSDHWPPIXGLZ-ZETCQYMHSA-N 0 3 288.097 2.271 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000813105383 632623958 /nfs/dbraw/zinc/62/39/58/632623958.db2.gz YJCFPXSIIPMTQD-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN CCCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813109609 632626536 /nfs/dbraw/zinc/62/65/36/632626536.db2.gz MZNLFJWWSALQKX-ZETCQYMHSA-N 0 3 272.326 2.226 20 5 CEBDHN CC[C@@H](C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109588 632626789 /nfs/dbraw/zinc/62/67/89/632626789.db2.gz MSLFEAUWAHIDPV-VHSXEESVSA-N 0 3 282.296 2.081 20 5 CEBDHN C/C(=C/c1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112531 632627107 /nfs/dbraw/zinc/62/71/07/632627107.db2.gz HTURTKZRUUNVRB-UJICNMFASA-N 0 3 267.256 2.437 20 5 CEBDHN CCOCCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813112047 632627503 /nfs/dbraw/zinc/62/75/03/632627503.db2.gz YVHBDEIOQLERGS-LLVKDONJSA-N 0 3 273.329 2.182 20 5 CEBDHN CC(COC(=O)CSc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813115507 632629095 /nfs/dbraw/zinc/62/90/95/632629095.db2.gz UDKSBGKDXDJVBY-JTQLQIEISA-N 0 3 295.360 2.476 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CCC(C)C ZINC000813115412 632629453 /nfs/dbraw/zinc/62/94/53/632629453.db2.gz RFIYGLFFDHVWTK-SNVBAGLBSA-N 0 3 283.328 2.060 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2cccc(Cl)c2)CCOCC1 ZINC000899873503 633066200 /nfs/dbraw/zinc/06/62/00/633066200.db2.gz QFSHFGXZWGTZNR-UHFFFAOYSA-N 0 3 298.770 2.255 20 5 CEBDHN Cc1ncsc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016823 634040318 /nfs/dbraw/zinc/04/03/18/634040318.db2.gz CPJXPWDDLIXPMM-GFCCVEGCSA-N 0 3 293.348 2.183 20 5 CEBDHN COCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819944248 634293580 /nfs/dbraw/zinc/29/35/80/634293580.db2.gz XWOJADNLFMNICK-UHFFFAOYSA-N 0 3 293.367 2.142 20 5 CEBDHN CC(C)(CNCC[N+](=O)[O-])c1ccccc1Cl ZINC000905094768 635829399 /nfs/dbraw/zinc/82/93/99/635829399.db2.gz BCMGUQFNASAKOO-UHFFFAOYSA-N 0 3 256.733 2.484 20 5 CEBDHN Cc1c(Br)cccc1CCNCC[N+](=O)[O-] ZINC000905562163 636326518 /nfs/dbraw/zinc/32/65/18/636326518.db2.gz VASGTRKIQMUJGY-UHFFFAOYSA-N 0 3 287.157 2.166 20 5 CEBDHN CS[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889278 637191331 /nfs/dbraw/zinc/19/13/31/637191331.db2.gz NCNTUTMXKMBEBD-CHWSQXEVSA-N 0 3 282.365 2.066 20 5 CEBDHN CC(C)[C@H](CCO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000227015285 639570758 /nfs/dbraw/zinc/57/07/58/639570758.db2.gz CAEBFGXPKUUCMX-LBPRGKRZSA-N 0 3 270.304 2.231 20 5 CEBDHN C[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000842710064 640156666 /nfs/dbraw/zinc/15/66/66/640156666.db2.gz JPKQSESOGLSPPT-NHCYSSNCSA-N 0 3 250.298 2.423 20 5 CEBDHN CCOCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873690 641117146 /nfs/dbraw/zinc/11/71/46/641117146.db2.gz VSDFELSOHXMILD-ZANVPECISA-N 0 3 285.271 2.112 20 5 CEBDHN COC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000181575317 641571388 /nfs/dbraw/zinc/57/13/88/641571388.db2.gz PBMNCQSFOFUKIC-GFCCVEGCSA-N 0 3 268.288 2.249 20 5 CEBDHN CCN(CCOCCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877499927 650752504 /nfs/dbraw/zinc/75/25/04/650752504.db2.gz MGBAPLVAEGIIKY-UHFFFAOYSA-N 0 3 296.367 2.042 20 5 CEBDHN COC(=O)N(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000850551522 642750529 /nfs/dbraw/zinc/75/05/29/642750529.db2.gz WJXLPDVBRFCXIX-NSHDSACASA-N 0 3 295.339 2.252 20 5 CEBDHN CCCN1CC[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853905634 643939765 /nfs/dbraw/zinc/93/97/65/643939765.db2.gz BMSSVBNRPOLOCJ-SNVBAGLBSA-N 0 3 294.311 2.399 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000857856594 644983049 /nfs/dbraw/zinc/98/30/49/644983049.db2.gz AWYAWIXMPNFGNS-GFCCVEGCSA-N 0 3 272.308 2.485 20 5 CEBDHN CCOc1cccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776728 645902836 /nfs/dbraw/zinc/90/28/36/645902836.db2.gz HOKHIGCJLLERFT-AEZGRPFRSA-N 0 3 279.292 2.307 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865692860 647427037 /nfs/dbraw/zinc/42/70/37/647427037.db2.gz GVWONGDTSALUTQ-SZWZKDINSA-N 0 3 274.320 2.108 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)O ZINC000872015941 649241143 /nfs/dbraw/zinc/24/11/43/649241143.db2.gz ANXHEUGWIQHLDA-BDAKNGLRSA-N 0 3 270.354 2.348 20 5 CEBDHN C[C@@H](NC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027253 649244815 /nfs/dbraw/zinc/24/48/15/649244815.db2.gz KOTFCNAHUBQNKW-ZJUUUORDSA-N 0 3 268.288 2.421 20 5 CEBDHN C[C@@H](NC[C@@H]1CCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026488 649245337 /nfs/dbraw/zinc/24/53/37/649245337.db2.gz FJHLHZYHSMHEBH-MNOVXSKESA-N 0 3 281.331 2.479 20 5 CEBDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781543 649488261 /nfs/dbraw/zinc/48/82/61/649488261.db2.gz VDQZGLOSDFGAGZ-ZJUUUORDSA-N 0 3 267.354 2.329 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000878951420 651216872 /nfs/dbraw/zinc/21/68/72/651216872.db2.gz JHIYOQKUPDYCNF-DGCLKSJQSA-N 0 3 264.325 2.248 20 5 CEBDHN CO[C@@H]1CC[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322119 651285610 /nfs/dbraw/zinc/28/56/10/651285610.db2.gz QIWACLORZUXHNU-NILFDRSVSA-N 0 3 294.351 2.128 20 5 CEBDHN CO[C@@H]1CC[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322453 651285623 /nfs/dbraw/zinc/28/56/23/651285623.db2.gz TYUAWSOFUUYDRA-GLQYFDAESA-N 0 3 294.351 2.128 20 5 CEBDHN CC[C@H](NCc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880471249 651446476 /nfs/dbraw/zinc/44/64/76/651446476.db2.gz YDRNHMKVFHPBBL-MNOVXSKESA-N 0 3 283.328 2.186 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881803057 651887592 /nfs/dbraw/zinc/88/75/92/651887592.db2.gz YFJKRYNQEQZWLT-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN COc1cc(OC2CCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC001226581036 805661163 /nfs/dbraw/zinc/66/11/63/805661163.db2.gz IXJTTWFAJWYRAR-UHFFFAOYSA-N 0 3 293.323 2.004 20 5 CEBDHN CC/C(C)=C\C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126752064 806517266 /nfs/dbraw/zinc/51/72/66/806517266.db2.gz LZENDTIZYARGDE-BENRWUELSA-N 0 3 291.351 2.157 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC2SCCS2)cc1 ZINC000703024181 809611827 /nfs/dbraw/zinc/61/18/27/809611827.db2.gz OPOQVNSZLMFMFE-UHFFFAOYSA-N 0 3 270.379 2.491 20 5 CEBDHN COc1cccc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001167698237 803572653 /nfs/dbraw/zinc/57/26/53/803572653.db2.gz QGVBCPBJVIXHLZ-UHFFFAOYSA-N 0 3 298.302 2.401 20 5 CEBDHN CN1CCC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383187 804872961 /nfs/dbraw/zinc/87/29/61/804872961.db2.gz WCOAYCSIMOXKJL-SNVBAGLBSA-N 0 3 254.261 2.207 20 5 CEBDHN CO[C@H]1C[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119251578 815079448 /nfs/dbraw/zinc/07/94/48/815079448.db2.gz YVZGRHJHLRTAAX-WGRBQBNCSA-N 0 3 276.336 2.378 20 5 CEBDHN C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000696035776 807127771 /nfs/dbraw/zinc/12/77/71/807127771.db2.gz YPHBWVWGODEVTJ-VIFPVBQESA-N 0 3 284.743 2.499 20 5 CEBDHN CC(C)(C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001171793888 815237837 /nfs/dbraw/zinc/23/78/37/815237837.db2.gz ZQCYFTCBDAGESV-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001163985543 810238710 /nfs/dbraw/zinc/23/87/10/810238710.db2.gz WFEUKANUNKYWGW-UHFFFAOYSA-N 0 3 266.688 2.201 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC001168988564 811338455 /nfs/dbraw/zinc/33/84/55/811338455.db2.gz SLLNGCIOPHNWIO-KWQFWETISA-N 0 3 287.722 2.409 20 5 CEBDHN Cc1c(-n2ccc([C@H](C)N)n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169232525 811448062 /nfs/dbraw/zinc/44/80/62/811448062.db2.gz GOOKOKXTHTZVCQ-QMMMGPOBSA-N 0 3 291.267 2.017 20 5 CEBDHN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1cnccn1 ZINC001169534236 811558154 /nfs/dbraw/zinc/55/81/54/811558154.db2.gz QZFUIEUKSOXGBE-SECBINFHSA-N 0 3 285.307 2.161 20 5 CEBDHN CCC1(N[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])COC1 ZINC001170307870 812390755 /nfs/dbraw/zinc/39/07/55/812390755.db2.gz JLMCFVHTYVSGGL-NSHDSACASA-N 0 3 294.351 2.303 20 5 CEBDHN C[C@H](NCCOC1CC1)c1ccccc1[N+](=O)[O-] ZINC000714983408 814920106 /nfs/dbraw/zinc/92/01/06/814920106.db2.gz XTGBEAFHXZIYIA-JTQLQIEISA-N 0 3 250.298 2.424 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@H](O)C(F)F ZINC000601298716 346815031 /nfs/dbraw/zinc/81/50/31/346815031.db2.gz JKPMFSJJJOEDBP-PWSUYJOCSA-N 0 3 286.278 2.188 20 5 CEBDHN C[C@H](Cc1cnccn1)NCc1ccccc1[N+](=O)[O-] ZINC000337703118 214225702 /nfs/dbraw/zinc/22/57/02/214225702.db2.gz HAJURDIXHOGNPK-LLVKDONJSA-N 0 3 272.308 2.106 20 5 CEBDHN CN(C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000125321438 187179697 /nfs/dbraw/zinc/17/96/97/187179697.db2.gz HYVHWXDQBUIQNL-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN CC[C@@H](NCCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010514 361881857 /nfs/dbraw/zinc/88/18/57/361881857.db2.gz CZLNQRNDDPECRW-CQSZACIVSA-N 0 3 293.367 2.408 20 5 CEBDHN Cc1cc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000449313311 282184043 /nfs/dbraw/zinc/18/40/43/282184043.db2.gz OSLHZHNHEHAZIP-NSHDSACASA-N 0 3 288.351 2.358 20 5 CEBDHN CC[C@@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000096478398 529512903 /nfs/dbraw/zinc/51/29/03/529512903.db2.gz OOCFEKOITVNQQS-CYBMUJFWSA-N 0 3 252.314 2.154 20 5 CEBDHN COc1ccc(CNCC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038097344 343433567 /nfs/dbraw/zinc/43/35/67/343433567.db2.gz MTWIZRZMYHTCQZ-GFCCVEGCSA-N 0 3 280.324 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057706272 343635534 /nfs/dbraw/zinc/63/55/34/343635534.db2.gz RQILUWPDDRQZAE-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072924459 343815006 /nfs/dbraw/zinc/81/50/06/343815006.db2.gz YJLAAAVEMMGRNN-CYBMUJFWSA-N 0 3 252.314 2.355 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2cc[nH]c2)cc1 ZINC000086253451 344098613 /nfs/dbraw/zinc/09/86/13/344098613.db2.gz GXVDRNLAUDYTEB-UHFFFAOYSA-N 0 3 261.281 2.092 20 5 CEBDHN CCC[C@H](NCC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606092 344140954 /nfs/dbraw/zinc/14/09/54/344140954.db2.gz SIABZYVLGOJTGT-AWEZNQCLSA-N 0 3 294.351 2.035 20 5 CEBDHN Cc1cc(N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000092657463 344198751 /nfs/dbraw/zinc/19/87/51/344198751.db2.gz ZXWQUFAYOSLAQD-CYBMUJFWSA-N 0 3 263.341 2.434 20 5 CEBDHN CCc1nn(C)c(NC[C@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000092829875 344205261 /nfs/dbraw/zinc/20/52/61/344205261.db2.gz QTDCQMXQXWWTMG-LLVKDONJSA-N 0 3 295.387 2.177 20 5 CEBDHN C[C@H](NCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000126380275 344323822 /nfs/dbraw/zinc/32/38/22/344323822.db2.gz RGVHAGBVOOJQQL-JTQLQIEISA-N 0 3 252.314 2.264 20 5 CEBDHN C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)N1 ZINC000130339365 344352035 /nfs/dbraw/zinc/35/20/35/344352035.db2.gz LUXRZWPLQRFIEY-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)CO ZINC000151740703 344423023 /nfs/dbraw/zinc/42/30/23/344423023.db2.gz UHKFUFBMZZEDLH-ONGXEEELSA-N 0 3 252.314 2.182 20 5 CEBDHN CC(C)[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140484242 344398291 /nfs/dbraw/zinc/39/82/91/344398291.db2.gz QKONOSBDUSCMSB-CYBMUJFWSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H](NCC1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000211077502 344531028 /nfs/dbraw/zinc/53/10/28/344531028.db2.gz DSIPBUISWRGNMU-JTQLQIEISA-N 0 3 250.298 2.018 20 5 CEBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000226734077 344550969 /nfs/dbraw/zinc/55/09/69/344550969.db2.gz AOROVKBPSZADIT-TVYUQYBPSA-N 0 3 264.325 2.405 20 5 CEBDHN CCC(CC)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000053066745 362480064 /nfs/dbraw/zinc/48/00/64/362480064.db2.gz HLTWSNXPFPPGFW-UHFFFAOYSA-N 0 3 258.343 2.297 20 5 CEBDHN CCOc1ccc([C@H](C)NCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000305741367 344710840 /nfs/dbraw/zinc/71/08/40/344710840.db2.gz ZRBOVFTXKRTQGI-NSHDSACASA-N 0 3 294.351 2.417 20 5 CEBDHN CCCN1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401156498 344866417 /nfs/dbraw/zinc/86/64/17/344866417.db2.gz IPQDKCIJGOKBRE-JTQLQIEISA-N 0 3 268.292 2.025 20 5 CEBDHN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000584707669 344978360 /nfs/dbraw/zinc/97/83/60/344978360.db2.gz JLTLYLAOQZDGLW-UHFFFAOYSA-N 0 3 296.346 2.440 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000586773525 345020250 /nfs/dbraw/zinc/02/02/50/345020250.db2.gz QDCIZLYHCDUIQE-CYBMUJFWSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@@H]1CC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783892 345021493 /nfs/dbraw/zinc/02/14/93/345021493.db2.gz HCGWVRPVJZABPA-MWLCHTKSSA-N 0 3 278.308 2.254 20 5 CEBDHN C[C@H]1CC[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783890 345021848 /nfs/dbraw/zinc/02/18/48/345021848.db2.gz HCGWVRPVJZABPA-GXSJLCMTSA-N 0 3 278.308 2.254 20 5 CEBDHN C[C@@H]1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000592380630 345348028 /nfs/dbraw/zinc/34/80/28/345348028.db2.gz WVPGCKAPHQBGHQ-CBHWHFHUSA-N 0 3 262.309 2.375 20 5 CEBDHN CC1(C)CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCN1 ZINC000592468768 345357755 /nfs/dbraw/zinc/35/77/55/345357755.db2.gz PZDFRPMKDUKTMA-UHFFFAOYSA-N 0 3 290.367 2.057 20 5 CEBDHN C[C@H](NCC[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182730 345450356 /nfs/dbraw/zinc/45/03/56/345450356.db2.gz BIBFARNGGUDFIX-WFASDCNBSA-N 0 3 294.351 2.177 20 5 CEBDHN COc1ccc(CN[C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000295107992 199348068 /nfs/dbraw/zinc/34/80/68/199348068.db2.gz UQLGYUDLWXKZCR-SNVBAGLBSA-N 0 3 282.340 2.243 20 5 CEBDHN Cc1nc(N(C)CCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000593517929 345501962 /nfs/dbraw/zinc/50/19/62/345501962.db2.gz VCYYBSVGVOWFTB-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN Cc1cnc(N(C)CCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000593515786 345501975 /nfs/dbraw/zinc/50/19/75/345501975.db2.gz KFQQZVJHENGHLF-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718720 345526455 /nfs/dbraw/zinc/52/64/55/345526455.db2.gz PYVFTRRUUQZVBE-GHMZBOCLSA-N 0 3 270.304 2.274 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CO)CC1CC1 ZINC000594499073 345639134 /nfs/dbraw/zinc/63/91/34/345639134.db2.gz AGKUYAJLEBGTCH-FZMZJTMJSA-N 0 3 276.336 2.333 20 5 CEBDHN CC1(C)C[C@H](N[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000595105080 345742637 /nfs/dbraw/zinc/74/26/37/345742637.db2.gz WZASCFQEWNPNOP-CHIMOYNISA-N 0 3 276.336 2.430 20 5 CEBDHN CCO[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594968707 345719692 /nfs/dbraw/zinc/71/96/92/345719692.db2.gz IKPBGFJAYGUOMQ-AULYBMBSSA-N 0 3 250.298 2.252 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCOC1 ZINC000595018086 345728440 /nfs/dbraw/zinc/72/84/40/345728440.db2.gz PTZNTINSAQKYJU-WDEREUQCSA-N 0 3 280.324 2.291 20 5 CEBDHN CC[C@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023558 345729734 /nfs/dbraw/zinc/72/97/34/345729734.db2.gz CWBPCPLCSKURBT-WDEREUQCSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCCO ZINC000595055800 345736176 /nfs/dbraw/zinc/73/61/76/345736176.db2.gz ZTWHCYWPUFSAGB-LLVKDONJSA-N 0 3 282.340 2.417 20 5 CEBDHN Cc1noc(CN2CCC[C@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560337 345813957 /nfs/dbraw/zinc/81/39/57/345813957.db2.gz ARIALVDNRCCXCH-NEPJUHHUSA-N 0 3 295.339 2.282 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595406924 345775161 /nfs/dbraw/zinc/77/51/61/345775161.db2.gz CXPNQIDRFBLJRU-UHFFFAOYSA-N 0 3 270.304 2.373 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595872643 345902877 /nfs/dbraw/zinc/90/28/77/345902877.db2.gz KIXYMAZKDPLJLY-BXUZGUMPSA-N 0 3 264.325 2.045 20 5 CEBDHN CSC[C@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438616 232279660 /nfs/dbraw/zinc/27/96/60/232279660.db2.gz HUMCPHFIXLCROS-PWSUYJOCSA-N 0 3 284.381 2.359 20 5 CEBDHN Cc1cc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])s1 ZINC000596259736 345983303 /nfs/dbraw/zinc/98/33/03/345983303.db2.gz VSQOOAFDYRNSSN-LLVKDONJSA-N 0 3 299.396 2.223 20 5 CEBDHN Cc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302083 187362420 /nfs/dbraw/zinc/36/24/20/187362420.db2.gz MPYGUBXBCAQBJM-OLZOCXBDSA-N 0 3 264.325 2.152 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCc2[nH]ncc2C1 ZINC000596594143 346062025 /nfs/dbraw/zinc/06/20/25/346062025.db2.gz PKGOBXYGGYZOFB-UHFFFAOYSA-N 0 3 272.308 2.266 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H](CO)C2)cs1 ZINC000336788466 365808882 /nfs/dbraw/zinc/80/88/82/365808882.db2.gz PITSIMCXCOQXKJ-MWLCHTKSSA-N 0 3 270.354 2.297 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)N1 ZINC000598535935 346371809 /nfs/dbraw/zinc/37/18/09/346371809.db2.gz LSRORSWSBCKPLP-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN COC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062161082 362713593 /nfs/dbraw/zinc/71/35/93/362713593.db2.gz YIUQSHOIJVIUAP-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN CCCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351358 362717510 /nfs/dbraw/zinc/71/75/10/362717510.db2.gz ATSDRTRJAIOINI-ZDUSSCGKSA-N 0 3 252.314 2.360 20 5 CEBDHN CC(C)c1ccc(CNCC2COC2)cc1[N+](=O)[O-] ZINC000599011515 346445975 /nfs/dbraw/zinc/44/59/75/346445975.db2.gz JUQHHDQGGYIBOG-UHFFFAOYSA-N 0 3 264.325 2.454 20 5 CEBDHN CC(C)CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000598990472 346442721 /nfs/dbraw/zinc/44/27/21/346442721.db2.gz FULUBEQDPNOIET-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599079906 346456535 /nfs/dbraw/zinc/45/65/35/346456535.db2.gz GQSNPTXJLZLKMF-WZRBSPASSA-N 0 3 294.351 2.415 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599079905 346456585 /nfs/dbraw/zinc/45/65/85/346456585.db2.gz GQSNPTXJLZLKMF-GMXVVIOVSA-N 0 3 294.351 2.415 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN1C1CCCCC1 ZINC000599126398 346463888 /nfs/dbraw/zinc/46/38/88/346463888.db2.gz GGRLOJCOVQSWKV-GFCCVEGCSA-N 0 3 293.371 2.147 20 5 CEBDHN CO[C@@H](C)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000336795748 365818253 /nfs/dbraw/zinc/81/82/53/365818253.db2.gz MZLMIJSIXIDWHX-VIFPVBQESA-N 0 3 256.277 2.249 20 5 CEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000085635237 179109146 /nfs/dbraw/zinc/10/91/46/179109146.db2.gz FOSKLOPUSMGQPL-MCIONIFRSA-N 0 3 276.336 2.498 20 5 CEBDHN CCC[C@@H](NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712228 346675664 /nfs/dbraw/zinc/67/56/64/346675664.db2.gz UZUSYJKSYFQIAL-UKRRQHHQSA-N 0 3 293.367 2.014 20 5 CEBDHN CN1CC=C(CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601138452 346766183 /nfs/dbraw/zinc/76/61/83/346766183.db2.gz TUZSLRFRHUSBFF-UHFFFAOYSA-N 0 3 298.346 2.239 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236904419 370650967 /nfs/dbraw/zinc/65/09/67/370650967.db2.gz URAZYYLNYWZBGL-CHIMOYNISA-N 0 3 293.367 2.454 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@H](C(C)C)C1 ZINC000602783308 347196331 /nfs/dbraw/zinc/19/63/31/347196331.db2.gz KRRPLDFYVUIIOB-LBPRGKRZSA-N 0 3 298.412 2.173 20 5 CEBDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783202 347196370 /nfs/dbraw/zinc/19/63/70/347196370.db2.gz NOIFHGQTOHTUQN-WZRBSPASSA-N 0 3 278.356 2.481 20 5 CEBDHN CC[C@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787154 347198226 /nfs/dbraw/zinc/19/82/26/347198226.db2.gz ITCBFVLNJUHCJI-CYBMUJFWSA-N 0 3 266.345 2.222 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C)[C@@H]1C ZINC000602787512 347198299 /nfs/dbraw/zinc/19/82/99/347198299.db2.gz ZCVDMDDYDWPRBJ-MNOVXSKESA-N 0 3 266.345 2.220 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)C1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602796765 347202693 /nfs/dbraw/zinc/20/26/93/347202693.db2.gz CSFMGCJSGUOFOZ-NXEZZACHSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2ccccc2)CC1 ZINC000602808828 347208317 /nfs/dbraw/zinc/20/83/17/347208317.db2.gz ZXLGVAWWYLACRY-UHFFFAOYSA-N 0 3 286.335 2.379 20 5 CEBDHN C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602932452 347251193 /nfs/dbraw/zinc/25/11/93/347251193.db2.gz XYGIDPGIJKKAET-DOMZBBRYSA-N 0 3 278.352 2.230 20 5 CEBDHN C[C@H]1CCCC[C@@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602844053 347221762 /nfs/dbraw/zinc/22/17/62/347221762.db2.gz YKHDKWXBSHPWSW-GXFFZTMASA-N 0 3 266.345 2.387 20 5 CEBDHN CCc1nocc1CNCCc1ccccc1[N+](=O)[O-] ZINC000339287115 215066461 /nfs/dbraw/zinc/06/64/61/215066461.db2.gz YQJKSLJHSMZOKW-UHFFFAOYSA-N 0 3 275.308 2.478 20 5 CEBDHN CC(C)OCCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965466 347258597 /nfs/dbraw/zinc/25/85/97/347258597.db2.gz GIQAJQXWDXKPBY-OAHLLOKOSA-N 0 3 296.367 2.207 20 5 CEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603160250 347300122 /nfs/dbraw/zinc/30/01/22/347300122.db2.gz GBOLEMCZSVCYLT-ZDUSSCGKSA-N 0 3 289.339 2.281 20 5 CEBDHN CC[C@H](N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186109 347303311 /nfs/dbraw/zinc/30/33/11/347303311.db2.gz OXUOQBNPAZQHNR-SKDRFNHKSA-N 0 3 275.312 2.205 20 5 CEBDHN CCN1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609513188 347641379 /nfs/dbraw/zinc/64/13/79/347641379.db2.gz JKJAYSIMOBDHNH-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@H](NCCn1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000610420475 347679943 /nfs/dbraw/zinc/67/99/43/347679943.db2.gz RFSVJLAOMCYSDG-LBPRGKRZSA-N 0 3 287.319 2.107 20 5 CEBDHN C[C@H]1COCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000610990900 347727757 /nfs/dbraw/zinc/72/77/57/347727757.db2.gz UCHWDMPIQWXIMY-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000336842720 365916623 /nfs/dbraw/zinc/91/66/23/365916623.db2.gz VCLZUHRBPRGHLE-NSHDSACASA-N 0 3 282.340 2.196 20 5 CEBDHN CCN1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221674 347753369 /nfs/dbraw/zinc/75/33/69/347753369.db2.gz MEXBFGHZRKZXCA-RYUDHWBXSA-N 0 3 278.356 2.217 20 5 CEBDHN COc1cc(N2C[C@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615496350 348336433 /nfs/dbraw/zinc/33/64/33/348336433.db2.gz YMXFBFBAZNXQDA-QWRGUYRKSA-N 0 3 279.340 2.132 20 5 CEBDHN Cc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000271305621 191062543 /nfs/dbraw/zinc/06/25/43/191062543.db2.gz VNZSSZJTIRZDEV-DZGCQCFKSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H]1[C@H](CO)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093442 233336312 /nfs/dbraw/zinc/33/63/12/233336312.db2.gz RTHWCYYMQRLSLG-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H](NCC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000091959783 180292228 /nfs/dbraw/zinc/29/22/28/180292228.db2.gz AESBVZUXDLLUPL-SNVBAGLBSA-N 0 3 250.298 2.282 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000110846088 186328028 /nfs/dbraw/zinc/32/80/28/186328028.db2.gz IDFFBKUOTIOGBT-ZDUSSCGKSA-N 0 3 292.335 2.180 20 5 CEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130996621 366012463 /nfs/dbraw/zinc/01/24/63/366012463.db2.gz SQQDQMJXTQYHOT-LLVKDONJSA-N 0 3 260.297 2.142 20 5 CEBDHN CC1(NCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000131176283 366027494 /nfs/dbraw/zinc/02/74/94/366027494.db2.gz RSYSPPWTZZJOEM-UHFFFAOYSA-N 0 3 256.327 2.315 20 5 CEBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000074318347 363323278 /nfs/dbraw/zinc/32/32/78/363323278.db2.gz JMBQFHLZNBDPJF-SECBINFHSA-N 0 3 279.340 2.218 20 5 CEBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170764861 188688236 /nfs/dbraw/zinc/68/82/36/188688236.db2.gz FZUUNXUJLZTUCT-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CN1C1CC1 ZINC000133523666 366232864 /nfs/dbraw/zinc/23/28/64/366232864.db2.gz QMYNBBRDOADCAI-UWVGGRQHSA-N 0 3 262.313 2.027 20 5 CEBDHN CO[C@@H]1CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451634409 283058941 /nfs/dbraw/zinc/05/89/41/283058941.db2.gz RDVVZDQMSKCNGS-DGCLKSJQSA-N 0 3 290.323 2.128 20 5 CEBDHN CN(CCOCC1CC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338346146 366309061 /nfs/dbraw/zinc/30/90/61/366309061.db2.gz HEILFHIAJNGWPU-UHFFFAOYSA-N 0 3 278.352 2.496 20 5 CEBDHN CC(C)[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000134550083 366337533 /nfs/dbraw/zinc/33/75/33/366337533.db2.gz FPWNCXPDCRZXGR-ZDUSSCGKSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000134644401 366348696 /nfs/dbraw/zinc/34/86/96/366348696.db2.gz YQKGEWCTNXFIKS-GMXVVIOVSA-N 0 3 262.309 2.182 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000362426637 283231165 /nfs/dbraw/zinc/23/11/65/283231165.db2.gz FJAPUKJKRSLPKW-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428812 199036377 /nfs/dbraw/zinc/03/63/77/199036377.db2.gz URMGKHKYQXZCMA-KXUCPTDWSA-N 0 3 267.329 2.251 20 5 CEBDHN Cc1ccc(CNCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000294897109 199237117 /nfs/dbraw/zinc/23/71/17/199237117.db2.gz WXNSCQRUJWXBQJ-UHFFFAOYSA-N 0 3 266.341 2.401 20 5 CEBDHN C[C@@H](CC(C)(C)O)NCc1ccc([N+](=O)[O-])cc1 ZINC000294945969 199264301 /nfs/dbraw/zinc/26/43/01/199264301.db2.gz CQFFAYYVZCXDHV-JTQLQIEISA-N 0 3 252.314 2.234 20 5 CEBDHN CC[C@@H](COC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000079737628 363626606 /nfs/dbraw/zinc/62/66/06/363626606.db2.gz UIRADQDRPYASOF-LBPRGKRZSA-N 0 3 252.314 2.418 20 5 CEBDHN CC(=O)c1cc(NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000341781704 216101371 /nfs/dbraw/zinc/10/13/71/216101371.db2.gz XFXLYLLOKNCBFP-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)N1CCCC[C@@H]1C ZINC000341931420 216157398 /nfs/dbraw/zinc/15/73/98/216157398.db2.gz LCTMUAOWYHSWBR-QWHCGFSZSA-N 0 3 292.383 2.395 20 5 CEBDHN CC[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000178021326 189086711 /nfs/dbraw/zinc/08/67/11/189086711.db2.gz PKALYQJBKDONBJ-MFKMUULPSA-N 0 3 279.340 2.112 20 5 CEBDHN COCC[C@@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375269 189111894 /nfs/dbraw/zinc/11/18/94/189111894.db2.gz GIRCRGOVCHFTOZ-IUODEOHRSA-N 0 3 296.367 2.341 20 5 CEBDHN C[C@@H]1OCC[C@]1(C)NCc1ccccc1[N+](=O)[O-] ZINC000300421674 200897586 /nfs/dbraw/zinc/89/75/86/200897586.db2.gz BDHDCBLTQNXMES-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN(CCCCO)C2CC2)c1 ZINC000152555715 366702580 /nfs/dbraw/zinc/70/25/80/366702580.db2.gz HXDVHHGXUBBFBS-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1[N+](=O)[O-] ZINC000083896480 363789844 /nfs/dbraw/zinc/78/98/44/363789844.db2.gz QFYLQULZPKELPA-LBPRGKRZSA-N 0 3 277.324 2.374 20 5 CEBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340256844 366820664 /nfs/dbraw/zinc/82/06/64/366820664.db2.gz XTRHBQUXDGWDHD-LLVKDONJSA-N 0 3 292.339 2.153 20 5 CEBDHN C/C=C/C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000185811941 189422307 /nfs/dbraw/zinc/42/23/07/189422307.db2.gz YAAUKICCFFCQLO-OOPCZODUSA-N 0 3 264.325 2.320 20 5 CEBDHN CN1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302043913 201316402 /nfs/dbraw/zinc/31/64/02/201316402.db2.gz XFVKRYWBBZMBBC-SECBINFHSA-N 0 3 255.343 2.410 20 5 CEBDHN C[C@H](NCCc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000186401412 189438330 /nfs/dbraw/zinc/43/83/30/189438330.db2.gz QCOBBRTUFAXCGO-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@H](N[C@@H](C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087818495 363871080 /nfs/dbraw/zinc/87/10/80/363871080.db2.gz ZZKORSZJPBGRBU-UWVGGRQHSA-N 0 3 252.314 2.405 20 5 CEBDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000089513202 363975462 /nfs/dbraw/zinc/97/54/62/363975462.db2.gz ZHOJTJMEKNZZSF-GFCCVEGCSA-N 0 3 293.367 2.331 20 5 CEBDHN Cc1cc(C(=O)N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000103118794 364627325 /nfs/dbraw/zinc/62/73/25/364627325.db2.gz PHWZGGZWZWKKPF-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275537325 193070036 /nfs/dbraw/zinc/07/00/36/193070036.db2.gz YFJSGCSSSSTNRW-AWEZNQCLSA-N 0 3 278.352 2.230 20 5 CEBDHN C[C@@H](Cc1cnccn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000340436748 366883098 /nfs/dbraw/zinc/88/30/98/366883098.db2.gz PFTZKDYNISGIGR-NSHDSACASA-N 0 3 272.308 2.106 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@H]1CN1CCCCC1 ZINC000160442636 367006875 /nfs/dbraw/zinc/00/68/75/367006875.db2.gz USUGHWKZIANSSK-ZDUSSCGKSA-N 0 3 290.367 2.445 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)C1)CCCC2 ZINC000583920963 367115566 /nfs/dbraw/zinc/11/55/66/367115566.db2.gz YOFBSAPUGOSLPJ-OSAQELSMSA-N 0 3 276.336 2.475 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000170687711 367397246 /nfs/dbraw/zinc/39/72/46/367397246.db2.gz GPBBKNWVLMJKCY-AWEZNQCLSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN(C)C1CCC1 ZINC000173615642 367927615 /nfs/dbraw/zinc/92/76/15/367927615.db2.gz YCXXXVJFHQTULO-UHFFFAOYSA-N 0 3 291.351 2.038 20 5 CEBDHN CC1=CCN(CCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000358162326 370931907 /nfs/dbraw/zinc/93/19/07/370931907.db2.gz HDWNKIYDQJZQPD-UHFFFAOYSA-N 0 3 275.352 2.336 20 5 CEBDHN Cc1cccc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000186756478 369035133 /nfs/dbraw/zinc/03/51/33/369035133.db2.gz KTSYTWATFPOYNG-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C(F)(F)F)c(F)c1 ZINC000349329639 369298708 /nfs/dbraw/zinc/29/87/08/369298708.db2.gz IIQQGSNWBGCVDB-JTQLQIEISA-N 0 3 296.220 2.137 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H](O)C1 ZINC000349383964 369316199 /nfs/dbraw/zinc/31/61/99/369316199.db2.gz NOKLUDYELQIIKX-QMTHXVAHSA-N 0 3 264.325 2.106 20 5 CEBDHN COCCOC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205601 370951286 /nfs/dbraw/zinc/95/12/86/370951286.db2.gz RDWXOQCLMOHPGZ-NEPJUHHUSA-N 0 3 282.340 2.297 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267463 370982730 /nfs/dbraw/zinc/98/27/30/370982730.db2.gz QBFZJWLBMXKTGM-GDLCADMTSA-N 0 3 291.351 2.160 20 5 CEBDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914996 203384843 /nfs/dbraw/zinc/38/48/43/203384843.db2.gz TYOFYFLDNVQKIX-DGCLKSJQSA-N 0 3 291.351 2.116 20 5 CEBDHN CCCN1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000190319740 369612369 /nfs/dbraw/zinc/61/23/69/369612369.db2.gz PDBLWAPQAHVTET-SECBINFHSA-N 0 3 270.358 2.195 20 5 CEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351925661 369656507 /nfs/dbraw/zinc/65/65/07/369656507.db2.gz FFRFCOCXYNIQBV-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@H]1CC(O)C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191187202 369689845 /nfs/dbraw/zinc/68/98/45/369689845.db2.gz WWHKPKKRZMQBOP-RYUDHWBXSA-N 0 3 294.351 2.207 20 5 CEBDHN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000191269473 369696469 /nfs/dbraw/zinc/69/64/69/369696469.db2.gz APCZWYPXOZXHMV-GHMZBOCLSA-N 0 3 264.325 2.329 20 5 CEBDHN Cc1cccc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000192741065 369849111 /nfs/dbraw/zinc/84/91/11/369849111.db2.gz KRPZUPJNKKZXII-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000352697298 369842488 /nfs/dbraw/zinc/84/24/88/369842488.db2.gz KSQVBNSEOFZGQE-LBPRGKRZSA-N 0 3 277.368 2.429 20 5 CEBDHN CN(C)CCSCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352903056 369942452 /nfs/dbraw/zinc/94/24/52/369942452.db2.gz QTOVWDRPPUCZKP-UHFFFAOYSA-N 0 3 280.353 2.266 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@H](C)C1 ZINC000223071470 370261046 /nfs/dbraw/zinc/26/10/46/370261046.db2.gz DLKSLNADTLEGGV-JQWIXIFHSA-N 0 3 280.324 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCC2)cc1F ZINC000228353013 370401865 /nfs/dbraw/zinc/40/18/65/370401865.db2.gz FTRMTJQWJQCMOB-UHFFFAOYSA-N 0 3 268.288 2.081 20 5 CEBDHN Cc1cc(NC[C@@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000228445180 370404033 /nfs/dbraw/zinc/40/40/33/370404033.db2.gz ZPLDEZWXURSKPO-SECBINFHSA-N 0 3 261.281 2.244 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000236411434 370588823 /nfs/dbraw/zinc/58/88/23/370588823.db2.gz YSAOPYKDBMLUNA-JSGCOSHPSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@H](O)CC2)cs1 ZINC000252704591 371470934 /nfs/dbraw/zinc/47/09/34/371470934.db2.gz NSHPTTCPBMXVHG-MGCOHNPYSA-N 0 3 256.327 2.049 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCC[C@H](C)C1 ZINC000360959500 371562781 /nfs/dbraw/zinc/56/27/81/371562781.db2.gz GXPUPEVTYREZMK-NSHDSACASA-N 0 3 295.387 2.263 20 5 CEBDHN C[C@H](O)CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255427747 371588824 /nfs/dbraw/zinc/58/88/24/371588824.db2.gz UOXCQWWRGVAURI-HWPRWLFBSA-N 0 3 264.325 2.311 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540766 372075648 /nfs/dbraw/zinc/07/56/48/372075648.db2.gz CCWJPZUYQSDRHE-CABZTGNLSA-N 0 3 298.774 2.420 20 5 CEBDHN C[C@H](NCC(C)(C)OCCO)c1ccc([N+](=O)[O-])cc1 ZINC000287340306 376209556 /nfs/dbraw/zinc/20/95/56/376209556.db2.gz NAPRYYALYKZYMX-NSHDSACASA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268448451 372104848 /nfs/dbraw/zinc/10/48/48/372104848.db2.gz FLTCHKUESBAPKS-ZYHUDNBSSA-N 0 3 278.356 2.075 20 5 CEBDHN Cc1c([C@@H](C)NC[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965526 372148377 /nfs/dbraw/zinc/14/83/77/372148377.db2.gz GQEKQJLLQCKITO-LDYMZIIASA-N 0 3 274.267 2.180 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@]2(N(C)C)CCSC2)n1 ZINC000268792929 372223600 /nfs/dbraw/zinc/22/36/00/372223600.db2.gz GWBFXRGMDYBDQV-CYBMUJFWSA-N 0 3 296.396 2.147 20 5 CEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000270300108 372734511 /nfs/dbraw/zinc/73/45/11/372734511.db2.gz AMHFWVULPKBFRU-OLZOCXBDSA-N 0 3 299.371 2.216 20 5 CEBDHN CCN(CCCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270753506 372934504 /nfs/dbraw/zinc/93/45/04/372934504.db2.gz VAIKHEYYIBGNFY-LLVKDONJSA-N 0 3 252.314 2.360 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)C1CC1 ZINC000271050820 373092760 /nfs/dbraw/zinc/09/27/60/373092760.db2.gz AIOJLZUCXGZFHG-HWKANZROSA-N 0 3 262.309 2.065 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H](CC)CO)cc1[N+](=O)[O-] ZINC000271142683 373140582 /nfs/dbraw/zinc/14/05/82/373140582.db2.gz OQNUWHDRGPRSSD-CMPLNLGQSA-N 0 3 282.340 2.415 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000274482861 373938670 /nfs/dbraw/zinc/93/86/70/373938670.db2.gz NAOWRUXLRRZKTO-UHFFFAOYSA-N 0 3 269.370 2.182 20 5 CEBDHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274928018 374098820 /nfs/dbraw/zinc/09/88/20/374098820.db2.gz NNPWIYUGRODOKA-BPLDGKMQSA-N 0 3 294.351 2.185 20 5 CEBDHN COc1cc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1F ZINC000277108433 374406512 /nfs/dbraw/zinc/40/65/12/374406512.db2.gz MTLMPEFYKROKTM-MRVPVSSYSA-N 0 3 271.292 2.105 20 5 CEBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000387496375 375277607 /nfs/dbraw/zinc/27/76/07/375277607.db2.gz XBCQCDPMUQAYOU-PWSUYJOCSA-N 0 3 252.314 2.152 20 5 CEBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000387339660 375273894 /nfs/dbraw/zinc/27/38/94/375273894.db2.gz DZSMOHNSNCUYAZ-BREBYQMCSA-N 0 3 252.314 2.405 20 5 CEBDHN Cc1sc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000408227078 375433685 /nfs/dbraw/zinc/43/36/85/375433685.db2.gz QXPXTRTXXXYUAL-SCZZXKLOSA-N 0 3 297.380 2.177 20 5 CEBDHN CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282443544 375486660 /nfs/dbraw/zinc/48/66/60/375486660.db2.gz RZVMVOCMDKNQSS-GXTWGEPZSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)[C@@H]1C ZINC000414567171 375861035 /nfs/dbraw/zinc/86/10/35/375861035.db2.gz GJXLSBTXHBISSA-JSGCOSHPSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1ccc(CN2CCC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414581700 375866744 /nfs/dbraw/zinc/86/67/44/375866744.db2.gz RCKPLBPKTUUMKS-TZMCWYRMSA-N 0 3 278.352 2.496 20 5 CEBDHN CCOc1ccc([C@H](C)NCCN(C)C)cc1[N+](=O)[O-] ZINC000287156153 376163047 /nfs/dbraw/zinc/16/30/47/376163047.db2.gz SYUSZUBNTPBRJT-NSHDSACASA-N 0 3 281.356 2.206 20 5 CEBDHN COc1cc(CN(C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305814766 376501853 /nfs/dbraw/zinc/50/18/53/376501853.db2.gz JNUFIUFSZLQICG-GXTWGEPZSA-N 0 3 294.351 2.196 20 5 CEBDHN CN(C)C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000263926100 190085710 /nfs/dbraw/zinc/08/57/10/190085710.db2.gz VSMKENIYAAUPCD-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN Cc1cn[nH]c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290020756 376605474 /nfs/dbraw/zinc/60/54/74/376605474.db2.gz VDLHXFRIBLHILW-SNVBAGLBSA-N 0 3 260.297 2.477 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCNCC1 ZINC000420125403 376575840 /nfs/dbraw/zinc/57/58/40/376575840.db2.gz PRMZMESZJXHQOP-UHFFFAOYSA-N 0 3 276.123 2.311 20 5 CEBDHN CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCN1C ZINC000421003868 376778913 /nfs/dbraw/zinc/77/89/13/376778913.db2.gz SGFAAWPKVJLBIX-JTQLQIEISA-N 0 3 299.321 2.399 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000290597611 376847119 /nfs/dbraw/zinc/84/71/19/376847119.db2.gz GYHQMMKFILBWSG-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN C[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000563002056 377056047 /nfs/dbraw/zinc/05/60/47/377056047.db2.gz AQIJPOZOMDEIHZ-ZETCQYMHSA-N 0 3 278.230 2.084 20 5 CEBDHN C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000330563148 377185858 /nfs/dbraw/zinc/18/58/58/377185858.db2.gz JWBRSHATNCCOIN-RISCZKNCSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@]1(C)CO ZINC000331021979 377243660 /nfs/dbraw/zinc/24/36/60/377243660.db2.gz SLZRYGOAOZFKIP-LSDHHAIUSA-N 0 3 294.351 2.244 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000264868767 190140213 /nfs/dbraw/zinc/14/02/13/190140213.db2.gz NXJAITAQMLJSAO-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@@H]1CCC[C@@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000292982687 377381532 /nfs/dbraw/zinc/38/15/32/377381532.db2.gz LKZCYOBMZGHQIU-BXKDBHETSA-N 0 3 270.354 2.297 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000332225575 377546427 /nfs/dbraw/zinc/54/64/27/377546427.db2.gz KKEFVGBBXUSXLP-GUTXKFCHSA-N 0 3 276.336 2.188 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)CC ZINC000313127128 249385950 /nfs/dbraw/zinc/38/59/50/249385950.db2.gz ZHCOMULYNPNRGD-OLZOCXBDSA-N 0 3 252.314 2.234 20 5 CEBDHN Cc1nn(C)c(NC[C@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447806408 378138992 /nfs/dbraw/zinc/13/89/92/378138992.db2.gz NJRLABDQHXKSDA-LLVKDONJSA-N 0 3 295.387 2.169 20 5 CEBDHN CCCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295618578 378238469 /nfs/dbraw/zinc/23/84/69/378238469.db2.gz GTNYDEQULPTUNZ-JTQLQIEISA-N 0 3 265.313 2.230 20 5 CEBDHN CCOc1cc(CN(C)[C@@H](CC)CO)ccc1[N+](=O)[O-] ZINC000295788913 378304942 /nfs/dbraw/zinc/30/49/42/378304942.db2.gz UWZMIYOZJHFFMM-LBPRGKRZSA-N 0 3 282.340 2.196 20 5 CEBDHN CN1CC=C(CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450419557 378407166 /nfs/dbraw/zinc/40/71/66/378407166.db2.gz ALTJBQGISUFJHU-UHFFFAOYSA-N 0 3 298.346 2.239 20 5 CEBDHN Cc1nc(NC[C@H]2N(C)CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450489585 378445894 /nfs/dbraw/zinc/44/58/94/378445894.db2.gz ILAPWWQEMHPYTF-GFCCVEGCSA-N 0 3 293.371 2.226 20 5 CEBDHN CCN1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337662 378866361 /nfs/dbraw/zinc/86/63/61/378866361.db2.gz ZRIGWMVVYAPXHX-NWDGAFQWSA-N 0 3 291.351 2.175 20 5 CEBDHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299662251 379096745 /nfs/dbraw/zinc/09/67/45/379096745.db2.gz WDPYQHRIJUWNEI-UHFFFAOYSA-N 0 3 292.339 2.154 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278757381 194141437 /nfs/dbraw/zinc/14/14/37/194141437.db2.gz MKNLSPBCTPVSDF-VIFPVBQESA-N 0 3 292.261 2.066 20 5 CEBDHN CCOCC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772403 194148137 /nfs/dbraw/zinc/14/81/37/194148137.db2.gz NFWRRRLKXSXEPB-VXGBXAGGSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1cnc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267105120 190303945 /nfs/dbraw/zinc/30/39/45/190303945.db2.gz PXSJQFFUOZOSJE-CYBMUJFWSA-N 0 3 296.396 2.147 20 5 CEBDHN C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305206588 379683369 /nfs/dbraw/zinc/68/33/69/379683369.db2.gz YEDHTKDJNUVZFN-SMDDNHRTSA-N 0 3 264.325 2.188 20 5 CEBDHN CN(C)[C@@]1(CNc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267118163 190305078 /nfs/dbraw/zinc/30/50/78/190305078.db2.gz STFUHVUDCOZMQX-CYBMUJFWSA-N 0 3 281.381 2.444 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000334035186 380218224 /nfs/dbraw/zinc/21/82/24/380218224.db2.gz WELHRJUVBLRJLU-RYUDHWBXSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891208 380285912 /nfs/dbraw/zinc/28/59/12/380285912.db2.gz WQFRKPCXRLDEMU-TZMCWYRMSA-N 0 3 278.352 2.496 20 5 CEBDHN COC[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897576 380288436 /nfs/dbraw/zinc/28/84/36/380288436.db2.gz KLLODYKJAMDSIF-DGCLKSJQSA-N 0 3 282.340 2.215 20 5 CEBDHN Cc1c(CN2CCC[C@@]2(C)CO)cccc1[N+](=O)[O-] ZINC000546810858 380420550 /nfs/dbraw/zinc/42/05/50/380420550.db2.gz ZSTYOIUZLYHXTM-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN COCC1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000552083485 380682277 /nfs/dbraw/zinc/68/22/77/380682277.db2.gz IBLBJAKMRNLKQK-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN COCC[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000341562378 285134530 /nfs/dbraw/zinc/13/45/30/285134530.db2.gz HZBUGMOKEAANCY-ZDUSSCGKSA-N 0 3 296.367 2.205 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCOC1 ZINC000288423023 197074306 /nfs/dbraw/zinc/07/43/06/197074306.db2.gz BEMGRIPILBYQFR-GFCCVEGCSA-N 0 3 250.298 2.172 20 5 CEBDHN COc1ccc(CN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000051536041 533560970 /nfs/dbraw/zinc/56/09/70/533560970.db2.gz PGWUDFJSDQGSAA-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN CN(C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000308638179 394529828 /nfs/dbraw/zinc/52/98/28/394529828.db2.gz UTKMICHUSKBWBZ-UHFFFAOYSA-N 0 3 269.320 2.164 20 5 CEBDHN CCOC(=O)CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000050067709 394554117 /nfs/dbraw/zinc/55/41/17/394554117.db2.gz IFRLDZKKTUSCGT-UHFFFAOYSA-N 0 3 280.324 2.022 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C1CC(O)C1 ZINC000332419956 394637727 /nfs/dbraw/zinc/63/77/27/394637727.db2.gz BKOVCORUTUSVHU-PKSQDBQZSA-N 0 3 264.325 2.419 20 5 CEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264665530 394641142 /nfs/dbraw/zinc/64/11/42/394641142.db2.gz SDSCEXYZATUNNK-UHFFFAOYSA-N 0 3 294.311 2.035 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCC[C@@H](C)C1 ZINC000267221060 394674299 /nfs/dbraw/zinc/67/42/99/394674299.db2.gz NTXQTVIZVYTIKC-LLVKDONJSA-N 0 3 278.356 2.442 20 5 CEBDHN CC(C)N(C)C[C@H](C)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000357576141 394701646 /nfs/dbraw/zinc/70/16/46/394701646.db2.gz CZLWKNPIZVPRIB-JTQLQIEISA-N 0 3 291.355 2.034 20 5 CEBDHN CCC[C@](C)(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269258031 394715931 /nfs/dbraw/zinc/71/59/31/394715931.db2.gz XGSQSRHRVYIXGJ-ZDUSSCGKSA-N 0 3 299.758 2.382 20 5 CEBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@H]12 ZINC000360210204 394793020 /nfs/dbraw/zinc/79/30/20/394793020.db2.gz VNGCOCDJYLPVFI-UTUOFQBUSA-N 0 3 278.356 2.339 20 5 CEBDHN Cc1cc(N[C@@H]2CCCN(C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000343535531 395041141 /nfs/dbraw/zinc/04/11/41/395041141.db2.gz QEXGGNVYHBRMNM-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)C(F)F)CCC2 ZINC000436282599 395104989 /nfs/dbraw/zinc/10/49/89/395104989.db2.gz HQWKZQPYERSNCH-NWDGAFQWSA-N 0 3 286.278 2.188 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000420629658 395392761 /nfs/dbraw/zinc/39/27/61/395392761.db2.gz CTTROCFYGRYXFB-JTQLQIEISA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCCC(C)(C)C1 ZINC000443963836 395407324 /nfs/dbraw/zinc/40/73/24/395407324.db2.gz PHZUNONNYNGXLQ-UHFFFAOYSA-N 0 3 292.383 2.254 20 5 CEBDHN C[C@@H](Cc1cnn(C)c1)NCc1csc([N+](=O)[O-])c1 ZINC000449581609 395556025 /nfs/dbraw/zinc/55/60/25/395556025.db2.gz BBSCXTJOAALDIO-VIFPVBQESA-N 0 3 280.353 2.111 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000343471237 292283139 /nfs/dbraw/zinc/28/31/39/292283139.db2.gz WAJNJTSGTPDTLH-DGCLKSJQSA-N 0 3 291.351 2.116 20 5 CEBDHN COC1CC(N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000230676095 153397398 /nfs/dbraw/zinc/39/73/98/153397398.db2.gz AGEFXMPUNXQSCE-KPPDAEKUSA-N 0 3 250.298 2.423 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2[C@H]3COC[C@H]32)c(Cl)c1 ZINC000375753597 157135091 /nfs/dbraw/zinc/13/50/91/157135091.db2.gz AJFDEPZDPCXXOF-CNDDSTCGSA-N 0 3 282.727 2.230 20 5 CEBDHN COC[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285458462 196290548 /nfs/dbraw/zinc/29/05/48/196290548.db2.gz ZBBUZKSKZMWHGC-LLVKDONJSA-N 0 3 252.314 2.104 20 5 CEBDHN CCC[C@H](NC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270589 176103835 /nfs/dbraw/zinc/10/38/35/176103835.db2.gz BCICZIBCUPTLDQ-KBPBESRZSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300829 176113781 /nfs/dbraw/zinc/11/37/81/176113781.db2.gz QXUZLEXESUQWFP-RNCFNFMXSA-N 0 3 250.298 2.016 20 5 CEBDHN CC(C)[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746913 299020767 /nfs/dbraw/zinc/02/07/67/299020767.db2.gz BSEULLNOKGAGME-GXTWGEPZSA-N 0 3 264.325 2.189 20 5 CEBDHN CO[C@@H](CN(C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000425454750 264328966 /nfs/dbraw/zinc/32/89/66/264328966.db2.gz FKRHLWPMMLOSPF-HNNXBMFYSA-N 0 3 278.352 2.494 20 5 CEBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000395267849 270346546 /nfs/dbraw/zinc/34/65/46/270346546.db2.gz JWDXESNHXOVMOJ-KWBADKCTSA-N 0 3 252.314 2.405 20 5 CEBDHN CC1(C)C[C@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000396948757 270350371 /nfs/dbraw/zinc/35/03/71/270350371.db2.gz XSIAYRPFQAFYIV-NSHDSACASA-N 0 3 250.298 2.252 20 5 CEBDHN CC[C@H](C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000421384021 270616495 /nfs/dbraw/zinc/61/64/95/270616495.db2.gz OKXUCIZEVQUJDI-VIFPVBQESA-N 0 3 268.313 2.445 20 5 CEBDHN Cc1cccc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000421707981 270649197 /nfs/dbraw/zinc/64/91/97/270649197.db2.gz YUDNDJZLWSLKBY-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN COCC(C)(C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429256066 271317425 /nfs/dbraw/zinc/31/74/25/271317425.db2.gz OWIUNHUVEPPTRK-UHFFFAOYSA-N 0 3 282.340 2.460 20 5 CEBDHN C[C@@H]1C[C@@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358228 274385682 /nfs/dbraw/zinc/38/56/82/274385682.db2.gz DQLGFKROSCVHBZ-NEPJUHHUSA-N 0 3 291.351 2.163 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977110 276342052 /nfs/dbraw/zinc/34/20/52/276342052.db2.gz GJPMJXOYMBGYAB-KCPJHIHWSA-N 0 3 294.351 2.439 20 5 CEBDHN COCC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382277 277238008 /nfs/dbraw/zinc/23/80/08/277238008.db2.gz JIQYPQQBHXEQIU-SMDDNHRTSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H](CCO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882675 277565374 /nfs/dbraw/zinc/56/53/74/277565374.db2.gz DAXYOUAAQQMCTI-HZMBPMFUSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@H](C[S@](C)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249049918 279376664 /nfs/dbraw/zinc/37/66/64/279376664.db2.gz XGLVGDKKHRWUMV-SAUNLDPVSA-N 0 3 296.392 2.329 20 5 CEBDHN C[C@@H](O)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000114771663 279738758 /nfs/dbraw/zinc/73/87/58/279738758.db2.gz WHKVSNRXPUTGOV-MRVPVSSYSA-N 0 3 290.266 2.057 20 5 CEBDHN CC[C@@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132822284 280200534 /nfs/dbraw/zinc/20/05/34/280200534.db2.gz PEMDYFVXPWOCGH-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN CC(C)[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394134 280263430 /nfs/dbraw/zinc/26/34/30/280263430.db2.gz LPNQNTJOSJTDMV-MFKMUULPSA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424327292 281149370 /nfs/dbraw/zinc/14/93/70/281149370.db2.gz ZZRSXMIQMQBVRW-UFGOTCBOSA-N 0 3 250.298 2.077 20 5 CEBDHN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000459639695 290202910 /nfs/dbraw/zinc/20/29/10/290202910.db2.gz DJWUPYKTDTWGRS-BJHJDKERSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1cc(F)ccc1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000487972631 290371424 /nfs/dbraw/zinc/37/14/24/290371424.db2.gz QUJSZGSWMHNIAV-UHFFFAOYSA-N 0 3 292.314 2.371 20 5 CEBDHN COCC1(NCc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000556899130 298560589 /nfs/dbraw/zinc/56/05/89/298560589.db2.gz UMPILWDCIBFZGW-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN CCO[C@@H]1C[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000571368709 314085458 /nfs/dbraw/zinc/08/54/58/314085458.db2.gz XTUHJKPFQXQZEG-LFHSMUGYSA-N 0 3 262.309 2.375 20 5 CEBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000577003540 314332293 /nfs/dbraw/zinc/33/22/93/314332293.db2.gz UAPXRAJRZUNRFJ-UHFFFAOYSA-N 0 3 279.340 2.314 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCCC3)C2)cn1 ZINC000582204712 322455200 /nfs/dbraw/zinc/45/52/00/322455200.db2.gz HPRWAVUBTRFZOA-CYBMUJFWSA-N 0 3 276.340 2.054 20 5 CEBDHN CCC[C@H](N[C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161358651 521168130 /nfs/dbraw/zinc/16/81/30/521168130.db2.gz HXZANXLDRAYDBS-GWCFXTLKSA-N 0 3 279.340 2.290 20 5 CEBDHN CC[C@@H](O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164132028 523006349 /nfs/dbraw/zinc/00/63/49/523006349.db2.gz IZTJODIPVAJKFI-CHWSQXEVSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1ccc(CNC(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000161118255 524570996 /nfs/dbraw/zinc/57/09/96/524570996.db2.gz DRDRPZINUYKEOE-JTQLQIEISA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1CCO ZINC000069251761 527404717 /nfs/dbraw/zinc/40/47/17/527404717.db2.gz MUAVYDRNIDLYSL-ZDUSSCGKSA-N 0 3 294.351 2.211 20 5 CEBDHN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000732215031 574614929 /nfs/dbraw/zinc/61/49/29/574614929.db2.gz ZXGSKDHYISJAEX-AWEZNQCLSA-N 0 3 293.342 2.402 20 5 CEBDHN C[C@H](N[C@@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049668 575147438 /nfs/dbraw/zinc/14/74/38/575147438.db2.gz UWEPGVRCQHSFEU-GWCFXTLKSA-N 0 3 264.325 2.406 20 5 CEBDHN CC(COC(=O)c1cc(Cl)c(Cl)n1C)[N+](=O)[O-] ZINC000813104934 623023677 /nfs/dbraw/zinc/02/36/77/623023677.db2.gz SYIJAHRWBONAHT-YFKPBYRVSA-N 0 3 281.095 2.154 20 5 CEBDHN CC(COC(=O)[C@H]1CCCc2sccc21)[N+](=O)[O-] ZINC000813106678 623026009 /nfs/dbraw/zinc/02/60/09/623026009.db2.gz GFSGCOKRBXGQMY-SCZZXKLOSA-N 0 3 269.322 2.376 20 5 CEBDHN CO[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050370380 623402879 /nfs/dbraw/zinc/40/28/79/623402879.db2.gz YFFLINBGNHXNCC-WCQYABFASA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H](N[C@@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833693 627717990 /nfs/dbraw/zinc/71/79/90/627717990.db2.gz BGDJOGJQVANBGR-CKYFFXLPSA-N 0 3 250.298 2.280 20 5 CEBDHN CC(COC(=O)Cc1nsc2ccccc21)[N+](=O)[O-] ZINC000821167378 634645015 /nfs/dbraw/zinc/64/50/15/634645015.db2.gz SETSHDQDMMNVKS-QMMMGPOBSA-N 0 3 280.305 2.047 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@@H](C)O ZINC000877320424 629149876 /nfs/dbraw/zinc/14/98/76/629149876.db2.gz GMDJOTPIYWMVFR-SNVBAGLBSA-N 0 3 252.314 2.024 20 5 CEBDHN CSCCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000799198727 630997082 /nfs/dbraw/zinc/99/70/82/630997082.db2.gz KKRXRJLWMWWMHA-ZDUSSCGKSA-N 0 3 284.381 2.313 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000797284602 631111748 /nfs/dbraw/zinc/11/17/48/631111748.db2.gz ZLJNOIUAAPGPBQ-SECBINFHSA-N 0 3 296.279 2.081 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CO ZINC000872038089 631235190 /nfs/dbraw/zinc/23/51/90/631235190.db2.gz HZTVXXCRHHHLMM-DTWKUNHWSA-N 0 3 270.354 2.348 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@]23C[C@H]2CCC3)c1[N+](=O)[O-] ZINC000897375625 631248887 /nfs/dbraw/zinc/24/88/87/631248887.db2.gz ZBIUNNHULSWPAK-QMTHXVAHSA-N 0 3 278.308 2.341 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000897891323 631963699 /nfs/dbraw/zinc/96/36/99/631963699.db2.gz AYDPBFLLMCEVJD-AVXNYWLKSA-N 0 3 292.335 2.002 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000041678270 632443563 /nfs/dbraw/zinc/44/35/63/632443563.db2.gz BVOISQBAXHXLHO-UHFFFAOYSA-N 0 3 297.330 2.148 20 5 CEBDHN CC(COC(=O)CCCc1ccsc1)[N+](=O)[O-] ZINC000813099947 632620619 /nfs/dbraw/zinc/62/06/19/632620619.db2.gz IBBHPZXWLLXKKH-VIFPVBQESA-N 0 3 257.311 2.279 20 5 CEBDHN CCC(CC)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101622 632621261 /nfs/dbraw/zinc/62/12/61/632621261.db2.gz FQOSQKPZBLUBLI-VIFPVBQESA-N 0 3 269.301 2.066 20 5 CEBDHN CC(COC(=O)CCCOc1ccccc1F)[N+](=O)[O-] ZINC000813104042 632622605 /nfs/dbraw/zinc/62/26/05/632622605.db2.gz WPJSNZNHAJFCRT-JTQLQIEISA-N 0 3 285.271 2.193 20 5 CEBDHN CC(COC(=O)c1ccc(N2CCCCC2)cc1)[N+](=O)[O-] ZINC000813104075 632622847 /nfs/dbraw/zinc/62/28/47/632622847.db2.gz JOGHRLUKZPCEKS-LBPRGKRZSA-N 0 3 292.335 2.499 20 5 CEBDHN Cc1ccc2c(CC(=O)OCC(C)[N+](=O)[O-])coc2c1 ZINC000813105830 632623549 /nfs/dbraw/zinc/62/35/49/632623549.db2.gz VFSLRLRGQZFENT-SNVBAGLBSA-N 0 3 277.276 2.492 20 5 CEBDHN Cc1nc(CC(C)C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813107509 632624238 /nfs/dbraw/zinc/62/42/38/632624238.db2.gz RQBFDVPOKSDJIE-QMMMGPOBSA-N 0 3 286.353 2.472 20 5 CEBDHN CC(COC(=O)CCc1ccc2[nH]ccc2c1)[N+](=O)[O-] ZINC000813107101 632624260 /nfs/dbraw/zinc/62/42/60/632624260.db2.gz JRZMDCZHAXLNAA-JTQLQIEISA-N 0 3 276.292 2.309 20 5 CEBDHN CC(COC(=O)c1ccc(Cl)cc1F)[N+](=O)[O-] ZINC000813107150 632624393 /nfs/dbraw/zinc/62/43/93/632624393.db2.gz KYHATYLJJKSXRT-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC(C)C ZINC000813107715 632624838 /nfs/dbraw/zinc/62/48/38/632624838.db2.gz UTKRWXOOSQCABR-SNVBAGLBSA-N 0 3 297.307 2.304 20 5 CEBDHN Cc1ccc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2n1 ZINC000813107472 632624888 /nfs/dbraw/zinc/62/48/88/632624888.db2.gz OEZSTTJGZUEGMR-JTQLQIEISA-N 0 3 274.276 2.365 20 5 CEBDHN CC(COC(=O)CC(C)(C)C(F)(F)F)[N+](=O)[O-] ZINC000813106807 632624948 /nfs/dbraw/zinc/62/49/48/632624948.db2.gz ICULLMFJPVTSGO-ZCFIWIBFSA-N 0 3 257.208 2.173 20 5 CEBDHN COc1c(C)cc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813115196 632629128 /nfs/dbraw/zinc/62/91/28/632629128.db2.gz MOUVETLTXIDKSF-SNVBAGLBSA-N 0 3 267.281 2.134 20 5 CEBDHN CC(COC(=O)[C@@H]1CCSc2ccccc21)[N+](=O)[O-] ZINC000813115595 632629485 /nfs/dbraw/zinc/62/94/85/632629485.db2.gz WAOYLFOKHOTADM-MWLCHTKSSA-N 0 3 281.333 2.474 20 5 CEBDHN COc1ccc2c(CC(=O)OCC(C)[N+](=O)[O-])coc2c1 ZINC000813115744 632629606 /nfs/dbraw/zinc/62/96/06/632629606.db2.gz ZAXJQYPPVGKEGT-VIFPVBQESA-N 0 3 293.275 2.192 20 5 CEBDHN CC(C)C[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000042372421 633867444 /nfs/dbraw/zinc/86/74/44/633867444.db2.gz KPPHWYVMKHGZIB-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903298971 635046460 /nfs/dbraw/zinc/04/64/60/635046460.db2.gz AUFTUJYRKHWREE-UXIGCNINSA-N 0 3 294.351 2.358 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCOCCF)cc1Cl ZINC000827950792 636467843 /nfs/dbraw/zinc/46/78/43/636467843.db2.gz UGGLCNQCPLMJJU-UHFFFAOYSA-N 0 3 276.695 2.324 20 5 CEBDHN CC[C@@H](CC(F)(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000835457656 638263884 /nfs/dbraw/zinc/26/38/84/638263884.db2.gz XZIPQDQFPRRJIE-RQJHMYQMSA-N 0 3 257.208 2.173 20 5 CEBDHN CC(COC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000842362833 640029133 /nfs/dbraw/zinc/02/91/33/640029133.db2.gz ABXRZGOIKNWRBQ-MRVWCRGKSA-N 0 3 293.319 2.015 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)c1ccco1 ZINC000848523097 642032120 /nfs/dbraw/zinc/03/21/20/642032120.db2.gz ZRVKUODKFYCREF-GXTWGEPZSA-N 0 3 288.303 2.498 20 5 CEBDHN CC(COC(=O)c1cccc(N2CCCC2)c1)[N+](=O)[O-] ZINC000851036968 642889823 /nfs/dbraw/zinc/88/98/23/642889823.db2.gz OSEOCOUUTSBONG-NSHDSACASA-N 0 3 278.308 2.109 20 5 CEBDHN COCC1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOCC1 ZINC000852090534 643295546 /nfs/dbraw/zinc/29/55/46/643295546.db2.gz NKDAKYGJCGYTEE-UHFFFAOYSA-N 0 3 298.314 2.019 20 5 CEBDHN CC12CC(C1)CN2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852786152 643550815 /nfs/dbraw/zinc/55/08/15/643550815.db2.gz KWLFYAJTOHWGED-IWXRYERYSA-N 0 3 262.309 2.113 20 5 CEBDHN CC(C)[C@H]1CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073260 644982850 /nfs/dbraw/zinc/98/28/50/644982850.db2.gz VOXUXDHOQUACJO-ZIAGYGMSSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1ccccc1CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777729 645902609 /nfs/dbraw/zinc/90/26/09/645902609.db2.gz ULQPZGOXZFVIGI-NEPJUHHUSA-N 0 3 281.308 2.109 20 5 CEBDHN Cc1cc(C(F)F)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777837 645902722 /nfs/dbraw/zinc/90/27/22/645902722.db2.gz XCVXWPDXWQMIFY-ZCFIWIBFSA-N 0 3 263.196 2.348 20 5 CEBDHN CC(=O)N1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000768337993 646108700 /nfs/dbraw/zinc/10/87/00/646108700.db2.gz XLLCIGMJIXKJCN-UHFFFAOYSA-N 0 3 291.351 2.038 20 5 CEBDHN C[C@H](NC[C@@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508469 648196488 /nfs/dbraw/zinc/19/64/88/648196488.db2.gz UZENLDJAMBYSAH-TVQRCGJNSA-N 0 3 291.307 2.154 20 5 CEBDHN CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CCC1(C)C ZINC000871150792 649012168 /nfs/dbraw/zinc/01/21/68/649012168.db2.gz SLHJEOWHMMCUAO-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@H](NC[C@H]1CCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026490 649244855 /nfs/dbraw/zinc/24/48/55/649244855.db2.gz FJHLHZYHSMHEBH-WDEREUQCSA-N 0 3 281.331 2.479 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[C@H]1O ZINC000872080885 649267078 /nfs/dbraw/zinc/26/70/78/649267078.db2.gz CJDHHTUDUGVHMP-GGZOMVNGSA-N 0 3 282.365 2.491 20 5 CEBDHN Cc1c(CN[C@@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000873015957 649531807 /nfs/dbraw/zinc/53/18/07/649531807.db2.gz CRMVUHLEHGZHMW-NSHDSACASA-N 0 3 291.351 2.004 20 5 CEBDHN CC(=O)c1c(NCC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000882468760 652085983 /nfs/dbraw/zinc/08/59/83/652085983.db2.gz SQLILAXVMITFMO-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000882960285 652291038 /nfs/dbraw/zinc/29/10/38/652291038.db2.gz FQFPXODPLFAMRN-CYBMUJFWSA-N 0 3 279.340 2.247 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2ccoc2)cs1 ZINC000883269598 652418972 /nfs/dbraw/zinc/41/89/72/652418972.db2.gz PJQZDWZIORRVOU-NSHDSACASA-N 0 3 296.348 2.190 20 5 CEBDHN CC(C)(O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000721880688 806895435 /nfs/dbraw/zinc/89/54/35/806895435.db2.gz VOLLVIDVTJRNKL-GFCCVEGCSA-N 0 3 264.325 2.188 20 5 CEBDHN CCN1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000712593934 814754805 /nfs/dbraw/zinc/75/48/05/814754805.db2.gz GGSIFSBULKBZTK-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN COc1ccc(O[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001225769475 805276945 /nfs/dbraw/zinc/27/69/45/805276945.db2.gz LXPVUAHJESLVPP-LBPRGKRZSA-N 0 3 280.324 2.465 20 5 CEBDHN CO[C@@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244450 815078362 /nfs/dbraw/zinc/07/83/62/815078362.db2.gz HIABZLCBEIYVMS-GXSJLCMTSA-N 0 3 291.307 2.393 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@@H](O)C(F)F)c1 ZINC000716715704 815144213 /nfs/dbraw/zinc/14/42/13/815144213.db2.gz JOGULNHVELPRCD-SNVBAGLBSA-N 0 3 294.685 2.354 20 5 CEBDHN CC1(C)CO[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000708385703 809928600 /nfs/dbraw/zinc/92/86/00/809928600.db2.gz FVKSPRJTXYOEAY-GFCCVEGCSA-N 0 3 264.325 2.500 20 5 CEBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976174 811304830 /nfs/dbraw/zinc/30/48/30/811304830.db2.gz ZCANGLSKSPCCQB-QWRGUYRKSA-N 0 3 280.299 2.043 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC001168960014 811313780 /nfs/dbraw/zinc/31/37/80/811313780.db2.gz YZHYFTSMIRKHLW-NXEZZACHSA-N 0 3 270.279 2.500 20 5 CEBDHN CCOc1cc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001169235751 811455565 /nfs/dbraw/zinc/45/55/65/811455565.db2.gz ZMCDDGBOWHNBJG-VIFPVBQESA-N 0 3 276.296 2.199 20 5 CEBDHN CC(=O)CN(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907918 815540585 /nfs/dbraw/zinc/54/05/85/815540585.db2.gz JQVSBUKVNJGCAT-AWEZNQCLSA-N 0 3 276.336 2.363 20 5 CEBDHN COC(CN(C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173234002 815632562 /nfs/dbraw/zinc/63/25/62/815632562.db2.gz NUVFCQJOVMEPDC-LLVKDONJSA-N 0 3 282.340 2.077 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCC[C@@H]1O ZINC000601305116 346816147 /nfs/dbraw/zinc/81/61/47/346816147.db2.gz SRVKNTNYCCSOMR-OBJOEFQTSA-N 0 3 262.309 2.085 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCCO2)cc1 ZINC000037668604 361921693 /nfs/dbraw/zinc/92/16/93/361921693.db2.gz SUWMCSNAHMODLZ-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@H](NC[C@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745071 187198573 /nfs/dbraw/zinc/19/85/73/187198573.db2.gz ZAKYQYLDKDMNPY-WFASDCNBSA-N 0 3 294.351 2.035 20 5 CEBDHN Cc1ccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000126041469 187212050 /nfs/dbraw/zinc/21/20/50/187212050.db2.gz QCDRAYAZJIEURL-CABZTGNLSA-N 0 3 277.324 2.230 20 5 CEBDHN CC[C@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132822065 529694668 /nfs/dbraw/zinc/69/46/68/529694668.db2.gz PEMDYFVXPWOCGH-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1c(C(=O)NC[C@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000042504477 343451989 /nfs/dbraw/zinc/45/19/89/343451989.db2.gz OWQGDUNHBJWJBV-NSHDSACASA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000047873389 362229131 /nfs/dbraw/zinc/22/91/31/362229131.db2.gz INCJPFJJCACLOX-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CC[C@@H]1C[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698174 343809465 /nfs/dbraw/zinc/80/94/65/343809465.db2.gz YVXCGURODNBGFH-GXFFZTMASA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(C2CC2)CC1 ZINC000076665080 343894519 /nfs/dbraw/zinc/89/45/19/343894519.db2.gz KHXAGUKOBFYHBY-UHFFFAOYSA-N 0 3 276.340 2.337 20 5 CEBDHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049099991 362338629 /nfs/dbraw/zinc/33/86/29/362338629.db2.gz YMQKHAMHXOHJGW-JTQLQIEISA-N 0 3 280.284 2.009 20 5 CEBDHN CC(C)CC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602460197 347042121 /nfs/dbraw/zinc/04/21/21/347042121.db2.gz VTKUXBDXOMZJGQ-GFCCVEGCSA-N 0 3 291.351 2.247 20 5 CEBDHN Cc1cccc(NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000133502938 344368979 /nfs/dbraw/zinc/36/89/79/344368979.db2.gz YQYYOVBTMLNGNB-UHFFFAOYSA-N 0 3 286.335 2.500 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](CCCO)C2)c1 ZINC000449789690 282368796 /nfs/dbraw/zinc/36/87/96/282368796.db2.gz ICKJFGTZQBFUSZ-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2ccns2)cc1 ZINC000404449097 344880518 /nfs/dbraw/zinc/88/05/18/344880518.db2.gz PUHASJWEOFUTMF-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CNC(=O)CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000584698432 344976856 /nfs/dbraw/zinc/97/68/56/344976856.db2.gz UBMHNNZYCOAUQQ-UHFFFAOYSA-N 0 3 291.351 2.085 20 5 CEBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CCC(C)(C)C ZINC000592145333 345328456 /nfs/dbraw/zinc/32/84/56/345328456.db2.gz UBALRULKAQJDFR-UHFFFAOYSA-N 0 3 281.356 2.125 20 5 CEBDHN Cc1c([C@H](C)N[C@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718722 345526676 /nfs/dbraw/zinc/52/66/76/345526676.db2.gz PYVFTRRUUQZVBE-QWRGUYRKSA-N 0 3 270.304 2.274 20 5 CEBDHN O=[N+]([O-])c1cccc(CCN[C@@H]2CCCn3ccnc32)c1 ZINC000594502400 345639147 /nfs/dbraw/zinc/63/91/47/345639147.db2.gz NQHNPANTEUFOFC-CQSZACIVSA-N 0 3 286.335 2.459 20 5 CEBDHN CCC(C)(C)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000594592246 345653775 /nfs/dbraw/zinc/65/37/75/345653775.db2.gz RZRIHFGQNGCJQV-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000058938177 362644654 /nfs/dbraw/zinc/64/46/54/362644654.db2.gz LGDPWPIFFWLIFA-UHFFFAOYSA-N 0 3 280.284 2.009 20 5 CEBDHN CN(CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000058858414 362640040 /nfs/dbraw/zinc/64/00/40/362640040.db2.gz CSOXSOJAGVXJPZ-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CC[C@H](N[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103940 345742934 /nfs/dbraw/zinc/74/29/34/345742934.db2.gz PGOJRBYVJFWTHE-DRZSPHRISA-N 0 3 250.298 2.159 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926852 345704795 /nfs/dbraw/zinc/70/47/95/345704795.db2.gz WATAIKZQVSVQLX-GZZJDILISA-N 0 3 292.335 2.443 20 5 CEBDHN Cc1ccc(CN[C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594957551 345716788 /nfs/dbraw/zinc/71/67/88/345716788.db2.gz SNDJIEFQPBEHCC-ZDUSSCGKSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC(O)(C1CC1)C1CC1 ZINC000594984394 345721559 /nfs/dbraw/zinc/72/15/59/345721559.db2.gz UMMRNPQIDJUJMQ-UHFFFAOYSA-N 0 3 276.336 2.236 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCO1 ZINC000595005295 345724548 /nfs/dbraw/zinc/72/45/48/345724548.db2.gz BMVRKZZRVFGXGA-CMPLNLGQSA-N 0 3 280.324 2.433 20 5 CEBDHN CC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006934 345725464 /nfs/dbraw/zinc/72/54/64/345725464.db2.gz MXSWBEDTMFFOFT-ZJUUUORDSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCOCC1 ZINC000595017316 345728085 /nfs/dbraw/zinc/72/80/85/345728085.db2.gz MJYVWRKUHWAQNC-SNVBAGLBSA-N 0 3 280.324 2.433 20 5 CEBDHN C[C@@H](N[C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056540 345735961 /nfs/dbraw/zinc/73/59/61/345735961.db2.gz LLMYCZPFNJVZDY-QMTHXVAHSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@H](N[C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056538 345736270 /nfs/dbraw/zinc/73/62/70/345736270.db2.gz LLMYCZPFNJVZDY-HZMBPMFUSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066255 345738195 /nfs/dbraw/zinc/73/81/95/345738195.db2.gz HBZXUOPRGYEXLC-GWCFXTLKSA-N 0 3 276.336 2.333 20 5 CEBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@H]3C2)c2c(c1)COCO2 ZINC000595809037 345880754 /nfs/dbraw/zinc/88/07/54/345880754.db2.gz RFRZXEBLIQEOEU-QWRGUYRKSA-N 0 3 290.319 2.303 20 5 CEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595872645 345902931 /nfs/dbraw/zinc/90/29/31/345902931.db2.gz KIXYMAZKDPLJLY-FZMZJTMJSA-N 0 3 264.325 2.045 20 5 CEBDHN CC[NH+](CC)CCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138874 345949485 /nfs/dbraw/zinc/94/94/85/345949485.db2.gz FUAGBENDCKRVSS-UHFFFAOYSA-N 0 3 271.342 2.129 20 5 CEBDHN C[C@@H]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128292153 187361984 /nfs/dbraw/zinc/36/19/84/187361984.db2.gz FJOLRAXMANPPFC-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN CCc1nn(C)c(N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596336402 346002391 /nfs/dbraw/zinc/00/23/91/346002391.db2.gz PAOVXYDWMGNQAX-JTQLQIEISA-N 0 3 295.387 2.175 20 5 CEBDHN CN(CC1CN(C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000596453336 346027622 /nfs/dbraw/zinc/02/76/22/346027622.db2.gz JNXCHRNIWOKRBI-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000597231103 346155994 /nfs/dbraw/zinc/15/59/94/346155994.db2.gz NNYLBEHMMNYRHU-KBPBESRZSA-N 0 3 276.336 2.372 20 5 CEBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000181080312 232398487 /nfs/dbraw/zinc/39/84/87/232398487.db2.gz HHBIGKGQALJSRI-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN COC1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000181076276 232398657 /nfs/dbraw/zinc/39/86/57/232398657.db2.gz RIGCIWXXOJCJAQ-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCN(C2CC2)CC1 ZINC000061041467 362676019 /nfs/dbraw/zinc/67/60/19/362676019.db2.gz MCVJYEJAAYFATE-UHFFFAOYSA-N 0 3 275.352 2.265 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCN2CC(F)F)c1 ZINC000598987288 346442801 /nfs/dbraw/zinc/44/28/01/346442801.db2.gz JUAFZBJQBNPBOU-ZDUSSCGKSA-N 0 3 299.321 2.414 20 5 CEBDHN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)N1 ZINC000599110254 346461124 /nfs/dbraw/zinc/46/11/24/346461124.db2.gz NCWDDEXMHJUKFL-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN CC[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599179696 346474569 /nfs/dbraw/zinc/47/45/69/346474569.db2.gz RCBVOYARYJIFDT-VHSXEESVSA-N 0 3 267.304 2.311 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)Cc2ccccc2)cc1 ZINC000063218440 362762804 /nfs/dbraw/zinc/76/28/04/362762804.db2.gz DHFZXDVYSVUGKA-OAHLLOKOSA-N 0 3 286.331 2.288 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000599622435 346547273 /nfs/dbraw/zinc/54/72/73/346547273.db2.gz DDCGENSZXHUWOU-KZWBYHQPSA-N 0 3 264.325 2.496 20 5 CEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165438 346774448 /nfs/dbraw/zinc/77/44/48/346774448.db2.gz OLHUGMQJKCCROM-PWSUYJOCSA-N 0 3 294.330 2.192 20 5 CEBDHN CN(CCNc1ccnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000601108465 346754689 /nfs/dbraw/zinc/75/46/89/346754689.db2.gz KQDFUCMDFFIKNI-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236912900 370653545 /nfs/dbraw/zinc/65/35/45/370653545.db2.gz URAZYYLNYWZBGL-PXWWUCIGSA-N 0 3 293.367 2.454 20 5 CEBDHN CN(C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686655 347146541 /nfs/dbraw/zinc/14/65/41/347146541.db2.gz GCYUDSCKCHXYFX-UHFFFAOYSA-N 0 3 292.339 2.166 20 5 CEBDHN CC(C)[C@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776987 347194331 /nfs/dbraw/zinc/19/43/31/347194331.db2.gz BNAYESAGCJYWMD-GFCCVEGCSA-N 0 3 266.345 2.339 20 5 CEBDHN CC[C@H]1CC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801124 347204831 /nfs/dbraw/zinc/20/48/31/347204831.db2.gz ZZVMGRRNCHCMGV-ONGXEEELSA-N 0 3 252.318 2.091 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@@H](C)C1 ZINC000602801897 347205257 /nfs/dbraw/zinc/20/52/57/347205257.db2.gz VPGJZMSVKKRBGO-MNOVXSKESA-N 0 3 266.345 2.078 20 5 CEBDHN C[C@@H]1CC[C@H](CNCc2cccc([N+](=O)[O-])c2)O1 ZINC000128467540 187372420 /nfs/dbraw/zinc/37/24/20/187372420.db2.gz PKTKOLDYHASSOM-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@](CO)(NCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000602961474 347257670 /nfs/dbraw/zinc/25/76/70/347257670.db2.gz AIIYPVCYJXEVQD-CYBMUJFWSA-N 0 3 270.304 2.142 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CSCCN1 ZINC000603421267 347366195 /nfs/dbraw/zinc/36/61/95/347366195.db2.gz YZDDRZUCQADWKM-SECBINFHSA-N 0 3 287.772 2.365 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CO)CC(C)C ZINC000603421952 347366517 /nfs/dbraw/zinc/36/65/17/347366517.db2.gz FFGBMPMCKXRUJB-ZDUSSCGKSA-N 0 3 296.367 2.490 20 5 CEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609154025 347629428 /nfs/dbraw/zinc/62/94/28/347629428.db2.gz RHPZOESMFBGYPK-AWEZNQCLSA-N 0 3 291.351 2.151 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](CCO)C2)c1 ZINC000609204403 347630640 /nfs/dbraw/zinc/63/06/40/347630640.db2.gz MXINGRWUTFEDHI-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN C[C@@H](NCCn1ccccc1=O)c1cccc([N+](=O)[O-])c1 ZINC000610420474 347680214 /nfs/dbraw/zinc/68/02/14/347680214.db2.gz RFSVJLAOMCYSDG-GFCCVEGCSA-N 0 3 287.319 2.107 20 5 CEBDHN C[C@@H](N[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337473 347767554 /nfs/dbraw/zinc/76/75/54/347767554.db2.gz MSJGISWCQMLZDW-MFKMUULPSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@H](N[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337471 347767594 /nfs/dbraw/zinc/76/75/94/347767594.db2.gz MSJGISWCQMLZDW-GWCFXTLKSA-N 0 3 264.325 2.406 20 5 CEBDHN CCn1cnnc1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000611335996 347767712 /nfs/dbraw/zinc/76/77/12/347767712.db2.gz GVMKJCWIFFVJKY-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN CCN1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611091778 347739131 /nfs/dbraw/zinc/73/91/31/347739131.db2.gz MPSKCZFGWOGEPJ-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000611222082 347753326 /nfs/dbraw/zinc/75/33/26/347753326.db2.gz ZCUFKNSQWIHMDA-MNOVXSKESA-N 0 3 278.356 2.217 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000067592373 362913279 /nfs/dbraw/zinc/91/32/79/362913279.db2.gz JQLIPIDVYYBMIQ-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1(CO)CC1)CCC2 ZINC000618571578 348979021 /nfs/dbraw/zinc/97/90/21/348979021.db2.gz NSMQAEWWWVTAEK-CQSZACIVSA-N 0 3 276.336 2.334 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339622947 215272132 /nfs/dbraw/zinc/27/21/32/215272132.db2.gz QVTMBKPBOGYVCV-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000090539813 180000244 /nfs/dbraw/zinc/00/02/44/180000244.db2.gz VEMGSAYGNASGNZ-SECBINFHSA-N 0 3 266.326 2.204 20 5 CEBDHN COc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090539719 180000391 /nfs/dbraw/zinc/00/03/91/180000391.db2.gz SSXOCMLOVGJTDM-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000271328983 191076633 /nfs/dbraw/zinc/07/66/33/191076633.db2.gz PXVQGWSMHPZRNV-ZDUSSCGKSA-N 0 3 279.340 2.036 20 5 CEBDHN COc1ccc(CSCCN(C)C)cc1[N+](=O)[O-] ZINC000339743563 215322356 /nfs/dbraw/zinc/32/23/56/215322356.db2.gz TXNRLTFUEKEVFR-UHFFFAOYSA-N 0 3 270.354 2.398 20 5 CEBDHN CNC(=O)[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000111268114 186382870 /nfs/dbraw/zinc/38/28/70/186382870.db2.gz XFCOGUVPXSTYAB-AAEUAGOBSA-N 0 3 291.351 2.114 20 5 CEBDHN CO[C@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123236847 187079509 /nfs/dbraw/zinc/07/95/09/187079509.db2.gz KMHRWUSBEHDOBJ-FZMZJTMJSA-N 0 3 280.324 2.051 20 5 CEBDHN CCCCN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000123432553 187091438 /nfs/dbraw/zinc/09/14/38/187091438.db2.gz KSEOCUVVHJSBRM-UHFFFAOYSA-N 0 3 282.340 2.068 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000153161011 188067556 /nfs/dbraw/zinc/06/75/56/188067556.db2.gz IBPICQGIIIDRHJ-QWRGUYRKSA-N 0 3 282.340 2.273 20 5 CEBDHN CCC[C@@H](C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC000292689919 198378077 /nfs/dbraw/zinc/37/80/77/198378077.db2.gz NKJJZVKZTVMUTR-GFCCVEGCSA-N 0 3 293.367 2.237 20 5 CEBDHN Cc1cn(CCN(C)Cc2ccc(F)cc2)nc1[N+](=O)[O-] ZINC000337936709 366184626 /nfs/dbraw/zinc/18/46/26/366184626.db2.gz QEMXMJWAFQZIQA-UHFFFAOYSA-N 0 3 292.314 2.371 20 5 CEBDHN C[C@@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163671 540203960 /nfs/dbraw/zinc/20/39/60/540203960.db2.gz HKVXZAPTDQVDKP-ZWNOBZJWSA-N 0 3 291.351 2.362 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000133775066 366253473 /nfs/dbraw/zinc/25/34/73/366253473.db2.gz QIIAPDKODYYQCL-SNVBAGLBSA-N 0 3 277.324 2.252 20 5 CEBDHN CC(C)(CO)CCNCc1cccc([N+](=O)[O-])c1 ZINC000294923692 199251056 /nfs/dbraw/zinc/25/10/56/199251056.db2.gz YWNSRKHWJFAKFA-UHFFFAOYSA-N 0 3 252.314 2.093 20 5 CEBDHN COC(=O)c1ccc([N+](=O)[O-])c(SCCN(C)C)c1 ZINC000136306956 366507844 /nfs/dbraw/zinc/50/78/44/366507844.db2.gz OVRINYQNGTUQGL-UHFFFAOYSA-N 0 3 284.337 2.035 20 5 CEBDHN CC[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297307778 200142404 /nfs/dbraw/zinc/14/24/04/200142404.db2.gz YZHACEJRUNJHNZ-LBPRGKRZSA-N 0 3 293.371 2.370 20 5 CEBDHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484292 366589336 /nfs/dbraw/zinc/58/93/36/366589336.db2.gz KYRCECLEBXAOLL-HOSYDEDBSA-N 0 3 250.298 2.423 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236960546 370666915 /nfs/dbraw/zinc/66/69/15/370666915.db2.gz URAZYYLNYWZBGL-PUYPPJJSSA-N 0 3 293.367 2.454 20 5 CEBDHN CCOC[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081520194 363726001 /nfs/dbraw/zinc/72/60/01/363726001.db2.gz PPJQHVNRAJKNPL-GFCCVEGCSA-N 0 3 264.325 2.453 20 5 CEBDHN CO[C@@H](C)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182201606 189316961 /nfs/dbraw/zinc/31/69/61/189316961.db2.gz NCDPTZJOQWSQGN-LBPRGKRZSA-N 0 3 294.351 2.473 20 5 CEBDHN CC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183428429 189358614 /nfs/dbraw/zinc/35/86/14/189358614.db2.gz HSGGMXKLFIYLGT-ZDUSSCGKSA-N 0 3 252.314 2.154 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([C@@H](C)O)C1 ZINC000183691909 189366105 /nfs/dbraw/zinc/36/61/05/189366105.db2.gz ULEHKVWWCMCZOT-YPMHNXCESA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([C@@H](C)O)C1 ZINC000183691925 189366139 /nfs/dbraw/zinc/36/61/39/189366139.db2.gz ULEHKVWWCMCZOT-DGCLKSJQSA-N 0 3 264.325 2.106 20 5 CEBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000018057002 361514286 /nfs/dbraw/zinc/51/42/86/361514286.db2.gz ADYMXURKZUPNKO-UHFFFAOYSA-N 0 3 294.311 2.399 20 5 CEBDHN Cc1c([C@H](C)N[C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312188 189382822 /nfs/dbraw/zinc/38/28/22/189382822.db2.gz UQPBCDLSYGIUIA-OKAXRFMISA-N 0 3 284.381 2.321 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)[C@H](C)C1 ZINC000090795017 364064198 /nfs/dbraw/zinc/06/41/98/364064198.db2.gz MXNVLMBECOFMTM-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN COCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000092732755 364102750 /nfs/dbraw/zinc/10/27/50/364102750.db2.gz JAUOZLHHVSBZTA-DHZHZOJOSA-N 0 3 250.298 2.234 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000245408409 370816501 /nfs/dbraw/zinc/81/65/01/370816501.db2.gz HBCWDINMAVUFKD-GXTWGEPZSA-N 0 3 278.356 2.446 20 5 CEBDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236312 366892873 /nfs/dbraw/zinc/89/28/73/366892873.db2.gz YUWSSVRMKQEJMQ-FZMZJTMJSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000120824749 365481727 /nfs/dbraw/zinc/48/17/27/365481727.db2.gz POCYXLHHBHTPQY-FZMZJTMJSA-N 0 3 291.351 2.007 20 5 CEBDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000160427006 367005679 /nfs/dbraw/zinc/00/56/79/367005679.db2.gz KCXGFQGKGXMPBR-LLVKDONJSA-N 0 3 295.339 2.038 20 5 CEBDHN Cc1nc(NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000161522307 367094246 /nfs/dbraw/zinc/09/42/46/367094246.db2.gz JCRPVYWZLNDSJX-UHFFFAOYSA-N 0 3 264.329 2.196 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCCO ZINC000343026068 367636965 /nfs/dbraw/zinc/63/69/65/367636965.db2.gz SSKVMLACDXPSGD-NSHDSACASA-N 0 3 252.314 2.360 20 5 CEBDHN CCC1(CNCc2ccccc2[N+](=O)[O-])COC1 ZINC000343577364 367895576 /nfs/dbraw/zinc/89/55/76/367895576.db2.gz BVFWUWKLOBDKHG-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN CC(=O)c1ccc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000343788583 368004933 /nfs/dbraw/zinc/00/49/33/368004933.db2.gz FANMVYIHIUPBCL-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000345060582 368143279 /nfs/dbraw/zinc/14/32/79/368143279.db2.gz MAVQXMIIIDSDPY-OUCADQQQSA-N 0 3 276.336 2.491 20 5 CEBDHN CS[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000345349761 368244786 /nfs/dbraw/zinc/24/47/86/368244786.db2.gz QITIJFUXHLMMHO-STQMWFEESA-N 0 3 295.408 2.385 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@](C)(O)C1 ZINC000182825276 368593607 /nfs/dbraw/zinc/59/36/07/368593607.db2.gz LERWPGYMFRECPO-BXUZGUMPSA-N 0 3 264.325 2.421 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC1 ZINC000186713583 369024993 /nfs/dbraw/zinc/02/49/93/369024993.db2.gz HQUHUIPNEDKWPD-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187317267 369138314 /nfs/dbraw/zinc/13/83/14/369138314.db2.gz ZLAQUTRUIYNTNG-YRGRVCCFSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](O)C1 ZINC000349383965 369315886 /nfs/dbraw/zinc/31/58/86/369315886.db2.gz NOKLUDYELQIIKX-YGRLFVJLSA-N 0 3 264.325 2.106 20 5 CEBDHN COC(=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000188680630 369394372 /nfs/dbraw/zinc/39/43/72/369394372.db2.gz PZZSKEQSNWFFHE-GQCTYLIASA-N 0 3 290.319 2.151 20 5 CEBDHN CC(C)c1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000188887629 369424994 /nfs/dbraw/zinc/42/49/94/369424994.db2.gz GFQXUMHPMLRRMP-UHFFFAOYSA-N 0 3 279.340 2.010 20 5 CEBDHN CO[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189311756 369495949 /nfs/dbraw/zinc/49/59/49/369495949.db2.gz BZQLIMIQRMIUQC-DOMZBBRYSA-N 0 3 278.352 2.494 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267464 370982388 /nfs/dbraw/zinc/98/23/88/370982388.db2.gz QBFZJWLBMXKTGM-HONMWMINSA-N 0 3 291.351 2.160 20 5 CEBDHN CCc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000358266886 370983084 /nfs/dbraw/zinc/98/30/84/370983084.db2.gz QCFUGRWOPSNTDX-UHFFFAOYSA-N 0 3 288.351 2.486 20 5 CEBDHN Cn1cncc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000352447332 369736275 /nfs/dbraw/zinc/73/62/75/369736275.db2.gz KNJRIBDIMPAKJP-GQCTYLIASA-N 0 3 272.308 2.131 20 5 CEBDHN CCOc1cc(CN(C)[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352667187 369824733 /nfs/dbraw/zinc/82/47/33/369824733.db2.gz JGRBMMZNNTWEAL-OCCSQVGLSA-N 0 3 294.351 2.339 20 5 CEBDHN CCOc1ccc([C@H](C)NCCCCO)cc1[N+](=O)[O-] ZINC000194217483 370015364 /nfs/dbraw/zinc/01/53/64/370015364.db2.gz QLAMCPOXXFMEPQ-NSHDSACASA-N 0 3 282.340 2.417 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194625642 370058402 /nfs/dbraw/zinc/05/84/02/370058402.db2.gz FGOFHCNTRXTQMK-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059566 370217851 /nfs/dbraw/zinc/21/78/51/370217851.db2.gz VWOIIBJESNFCEP-MFKMUULPSA-N 0 3 284.381 2.105 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C(C)(C)O ZINC000227348266 370367611 /nfs/dbraw/zinc/36/76/11/370367611.db2.gz XYXWCBSBPDWALH-UHFFFAOYSA-N 0 3 282.340 2.243 20 5 CEBDHN CC[C@@H](NC[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714848 370382189 /nfs/dbraw/zinc/38/21/89/370382189.db2.gz XTMPWJVJXBUPGX-UONOGXRCSA-N 0 3 282.340 2.297 20 5 CEBDHN C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N(C)C ZINC000227888081 370388054 /nfs/dbraw/zinc/38/80/54/370388054.db2.gz POBIOJOTUJQRDJ-ZETCQYMHSA-N 0 3 259.256 2.235 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000226518910 370342581 /nfs/dbraw/zinc/34/25/81/370342581.db2.gz PVGUSKGMMHSEPN-JTQLQIEISA-N 0 3 297.742 2.072 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000229162667 370420614 /nfs/dbraw/zinc/42/06/14/370420614.db2.gz ITTUPZDOYUVAHM-UHFFFAOYSA-N 0 3 297.311 2.142 20 5 CEBDHN Cc1ccc(CN[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704245 370466322 /nfs/dbraw/zinc/46/63/22/370466322.db2.gz QOUBQOHLWWRXDU-NSHDSACASA-N 0 3 252.339 2.498 20 5 CEBDHN COc1ccc(CN[C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000230893251 370468057 /nfs/dbraw/zinc/46/80/57/370468057.db2.gz ZYAWWTQVFPZFBT-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1F ZINC000236247741 370585527 /nfs/dbraw/zinc/58/55/27/370585527.db2.gz MVICCQZXZBTJHC-GXTWGEPZSA-N 0 3 280.299 2.391 20 5 CEBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000249028074 371283809 /nfs/dbraw/zinc/28/38/09/371283809.db2.gz LETHTTKMEPVOJE-CLLJXQQHSA-N 0 3 294.351 2.207 20 5 CEBDHN CCN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361592771 371960031 /nfs/dbraw/zinc/96/00/31/371960031.db2.gz WRDDJQSRXAPVCL-CQSZACIVSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1c(CN2CC[C@@H](CO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000344130899 217063635 /nfs/dbraw/zinc/06/36/35/217063635.db2.gz IIJDUXOVEWSJLI-DGCLKSJQSA-N 0 3 278.352 2.496 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344422874 217187314 /nfs/dbraw/zinc/18/73/14/217187314.db2.gz CNWNMQSSMNTZKD-LBPRGKRZSA-N 0 3 264.329 2.276 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H]1COCCO1 ZINC000344797990 217314934 /nfs/dbraw/zinc/31/49/34/217314934.db2.gz XDJZRTMUXDQVNY-CUXKMMBLSA-N 0 3 292.335 2.003 20 5 CEBDHN CN1CC=C(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278148953 374734755 /nfs/dbraw/zinc/73/47/55/374734755.db2.gz BELPVDKMSUNHMV-UHFFFAOYSA-N 0 3 288.351 2.237 20 5 CEBDHN C[C@H](N[C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283939987 375784334 /nfs/dbraw/zinc/78/43/34/375784334.db2.gz FJLSDFMIFJYSPS-WFBYXXMGSA-N 0 3 279.340 2.131 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414537427 375840889 /nfs/dbraw/zinc/84/08/89/375840889.db2.gz YZCWDIAURMFAKF-ZIAGYGMSSA-N 0 3 266.341 2.480 20 5 CEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccccc1[N+](=O)[O-] ZINC000286461259 375960998 /nfs/dbraw/zinc/96/09/98/375960998.db2.gz KIRSVOAOPOMNLG-UNPMEBSKSA-N 0 3 288.347 2.450 20 5 CEBDHN Cc1c([C@H](C)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000287216169 376176320 /nfs/dbraw/zinc/17/63/20/376176320.db2.gz XFNJWCAEVXNCTP-NSHDSACASA-N 0 3 251.330 2.115 20 5 CEBDHN C[C@@H](NCCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000287366815 376216173 /nfs/dbraw/zinc/21/61/73/376216173.db2.gz HNXJOVYGUCVCTM-GFCCVEGCSA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@@H]1CCC[C@H](CO)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887411 376529701 /nfs/dbraw/zinc/52/97/01/376529701.db2.gz YWAWHLVEDVELDU-TZMCWYRMSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])N(C)C ZINC000310137523 376614715 /nfs/dbraw/zinc/61/47/15/376614715.db2.gz CCUPXRKLMWMIGX-SSDOTTSWSA-N 0 3 258.709 2.005 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@@H](C)O ZINC000291292836 377161915 /nfs/dbraw/zinc/16/19/15/377161915.db2.gz RHNZCVPFEIBBBK-GHMZBOCLSA-N 0 3 252.314 2.277 20 5 CEBDHN C[C@H](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])[S@](C)=O ZINC000563415587 377217364 /nfs/dbraw/zinc/21/73/64/377217364.db2.gz DJTCDSQDPDRVBX-FBWDIHGXSA-N 0 3 296.392 2.329 20 5 CEBDHN COC1(CNCc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000331168135 377311437 /nfs/dbraw/zinc/31/14/37/377311437.db2.gz NVZRUUAAOIGMSG-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN CC[C@@H](O)[C@H](CC)NCc1ccc([N+](=O)[O-])cc1F ZINC000313187067 249389539 /nfs/dbraw/zinc/38/95/39/249389539.db2.gz ZDDADNVCKWFSIZ-QWHCGFSZSA-N 0 3 270.304 2.373 20 5 CEBDHN CCC1(CC)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000438505533 377904664 /nfs/dbraw/zinc/90/46/64/377904664.db2.gz BYGSZCRYQQGXAB-UHFFFAOYSA-N 0 3 266.345 2.303 20 5 CEBDHN CC[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112594 377909314 /nfs/dbraw/zinc/90/93/14/377909314.db2.gz KDDVDQHZQCYFGN-KOLCDFICSA-N 0 3 267.329 2.253 20 5 CEBDHN CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000295252496 378071699 /nfs/dbraw/zinc/07/16/99/378071699.db2.gz FFJHIWRSFGRZBK-GXFFZTMASA-N 0 3 279.340 2.112 20 5 CEBDHN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1=CCN(C)CC1 ZINC000450439028 378418144 /nfs/dbraw/zinc/41/81/44/378418144.db2.gz WQAAPQMYLFENDS-SNVBAGLBSA-N 0 3 262.313 2.052 20 5 CEBDHN CC(C)OCC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107143 378710176 /nfs/dbraw/zinc/71/01/76/378710176.db2.gz XYZRKFBPRYRIPO-SWLSCSKDSA-N 0 3 296.367 2.421 20 5 CEBDHN COC[C@@](C)(O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257402 378844952 /nfs/dbraw/zinc/84/49/52/378844952.db2.gz NDMDKJULXSZNPW-FZMZJTMJSA-N 0 3 282.340 2.033 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](O)C1 ZINC000347345995 218199453 /nfs/dbraw/zinc/19/94/53/218199453.db2.gz VDEPNAZFVVRNAP-DPQIITEBSA-N 0 3 262.309 2.065 20 5 CEBDHN COc1cc(CN(C)[C@H]2C[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000510093156 379113197 /nfs/dbraw/zinc/11/31/97/379113197.db2.gz FURWOATZNPOYSP-TXEJJXNPSA-N 0 3 280.324 2.213 20 5 CEBDHN CC[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000301246952 379233240 /nfs/dbraw/zinc/23/32/40/379233240.db2.gz HYICIBMRYMPMGO-GFCCVEGCSA-N 0 3 295.387 2.313 20 5 CEBDHN Cc1cc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835719 190283569 /nfs/dbraw/zinc/28/35/69/190283569.db2.gz JXQXCSMRJPTNPC-NWDGAFQWSA-N 0 3 278.356 2.217 20 5 CEBDHN C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305206585 379683593 /nfs/dbraw/zinc/68/35/93/379683593.db2.gz YEDHTKDJNUVZFN-FZMZJTMJSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(C)(C)O ZINC000267183766 190309401 /nfs/dbraw/zinc/30/94/01/190309401.db2.gz ZYQMHQWAPWXHAU-SNVBAGLBSA-N 0 3 252.314 2.359 20 5 CEBDHN Cc1c(CN2CCC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000305177251 379673368 /nfs/dbraw/zinc/67/33/68/379673368.db2.gz LZWSKRKHTHBEKR-NHYWBVRUSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167094 190382683 /nfs/dbraw/zinc/38/26/83/190382683.db2.gz PTMRZLGBGBUCSE-ZWNOBZJWSA-N 0 3 261.325 2.489 20 5 CEBDHN Cc1ccc(CN2CCC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891206 380285771 /nfs/dbraw/zinc/28/57/71/380285771.db2.gz WQFRKPCXRLDEMU-JSGCOSHPSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H](N(C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000289427719 197342085 /nfs/dbraw/zinc/34/20/85/197342085.db2.gz VICQXCDBJQTPMQ-SNVBAGLBSA-N 0 3 252.314 2.186 20 5 CEBDHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281306021 195188995 /nfs/dbraw/zinc/18/89/95/195188995.db2.gz HTJPFWKUYXVMGH-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN CSCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282400766 195598506 /nfs/dbraw/zinc/59/85/06/195598506.db2.gz HTBGLIWXTLIVLL-UHFFFAOYSA-N 0 3 254.355 2.432 20 5 CEBDHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000237806845 131058478 /nfs/dbraw/zinc/05/84/78/131058478.db2.gz MEVQKNPVESBRSJ-UHFFFAOYSA-N 0 3 263.297 2.195 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413090459 394482352 /nfs/dbraw/zinc/48/23/52/394482352.db2.gz IXKUBGNSMBVWPP-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421704470 394569582 /nfs/dbraw/zinc/56/95/82/394569582.db2.gz OQMPWFYICODDBD-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)(CN1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413309017 394522643 /nfs/dbraw/zinc/52/26/43/394522643.db2.gz ALNBFQWYYDXZGO-UHFFFAOYSA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331263670 394629610 /nfs/dbraw/zinc/62/96/10/394629610.db2.gz FYQHLAVFRMHNOU-FZMZJTMJSA-N 0 3 264.325 2.188 20 5 CEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000267205445 394673788 /nfs/dbraw/zinc/67/37/88/394673788.db2.gz KGDQYEWRBSAHKF-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cnccc1N ZINC000422796004 394792212 /nfs/dbraw/zinc/79/22/12/394792212.db2.gz XHTXZQHYRJNHNT-LLVKDONJSA-N 0 3 286.335 2.296 20 5 CEBDHN C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272837 394811282 /nfs/dbraw/zinc/81/12/82/394811282.db2.gz ZAXXZKSBQOOHOJ-WCQYABFASA-N 0 3 275.352 2.310 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966356 394939258 /nfs/dbraw/zinc/93/92/58/394939258.db2.gz FDIYVDFUQPGBEE-CABZTGNLSA-N 0 3 295.295 2.018 20 5 CEBDHN CCCC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834822 394998583 /nfs/dbraw/zinc/99/85/83/394998583.db2.gz CYAMXRGGSBEBGB-GFCCVEGCSA-N 0 3 299.758 2.382 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CSC[C@H]1C ZINC000285885278 394978805 /nfs/dbraw/zinc/97/88/05/394978805.db2.gz JRGMQFJWKTTZMC-BXKDBHETSA-N 0 3 282.365 2.445 20 5 CEBDHN CN(C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416291325 395048245 /nfs/dbraw/zinc/04/82/45/395048245.db2.gz OHJBDBIEVQWKEU-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN COc1cc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000397916720 395229246 /nfs/dbraw/zinc/22/92/46/395229246.db2.gz IVRSTNUWQHAREM-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)CC1 ZINC000294214214 395269510 /nfs/dbraw/zinc/26/95/10/395269510.db2.gz YKZNZPOUHCQUGN-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN C[C@@H]1CC[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212292 395354043 /nfs/dbraw/zinc/35/40/43/395354043.db2.gz ZFQOLGAETSEYFL-CHWSQXEVSA-N 0 3 290.367 2.300 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(C[C@H]2C[C@@H](O)C2)C2CC2)c1 ZINC000420930310 395437762 /nfs/dbraw/zinc/43/77/62/395437762.db2.gz DZGFXYWXOCQDAX-JNSHFYNHSA-N 0 3 276.336 2.330 20 5 CEBDHN C[C@H](CC[S@@](C)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291908 395627568 /nfs/dbraw/zinc/62/75/68/395627568.db2.gz JMRFSGICFNIYDS-LITPITGPSA-N 0 3 296.392 2.329 20 5 CEBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])cc1 ZINC000188666868 153065077 /nfs/dbraw/zinc/06/50/77/153065077.db2.gz QGLCVVGRQXHONT-UHFFFAOYSA-N 0 3 297.314 2.128 20 5 CEBDHN C[C@@H](N[C@@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825568 155381284 /nfs/dbraw/zinc/38/12/84/155381284.db2.gz OUMCGIGDLQCJHQ-ABAIWWIYSA-N 0 3 294.351 2.033 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCNC[C@H]2c2ccncc2)c1 ZINC000262136177 153916371 /nfs/dbraw/zinc/91/63/71/153916371.db2.gz YRGZHHGFZPVTRH-INIZCTEOSA-N 0 3 298.346 2.136 20 5 CEBDHN CC[C@H](N[C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000168482739 162367687 /nfs/dbraw/zinc/36/76/87/162367687.db2.gz QWWYPBBVKYGGTC-WSHAHDTKSA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@H](NCCC1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000285283949 196240086 /nfs/dbraw/zinc/24/00/86/196240086.db2.gz ZKNOIGJPFFMGHT-LBPRGKRZSA-N 0 3 294.351 2.177 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2ccccn2)cc1 ZINC000035677641 172348680 /nfs/dbraw/zinc/34/86/80/172348680.db2.gz GUDRIFOTRJPOQJ-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN COc1ccc(CN[C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735717 172388678 /nfs/dbraw/zinc/38/86/78/172388678.db2.gz YJXXPKQJTUYEIV-GXFFZTMASA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1c(NC(=O)N[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000604229550 414821764 /nfs/dbraw/zinc/82/17/64/414821764.db2.gz SQZATSQYBYMNGF-LLVKDONJSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@H](NC[C@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300828 176113630 /nfs/dbraw/zinc/11/36/30/176113630.db2.gz QXUZLEXESUQWFP-ZANVPECISA-N 0 3 250.298 2.016 20 5 CEBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000078747676 177381307 /nfs/dbraw/zinc/38/13/07/177381307.db2.gz RFDJHIVHDFHDCL-UHFFFAOYSA-N 0 3 282.340 2.196 20 5 CEBDHN C[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000517757582 260216105 /nfs/dbraw/zinc/21/61/05/260216105.db2.gz TWMBSKZEBCPWTR-NRUUGDAUSA-N 0 3 262.309 2.349 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487623 270334209 /nfs/dbraw/zinc/33/42/09/270334209.db2.gz VEAINISZIVDHJV-YGRLFVJLSA-N 0 3 264.325 2.406 20 5 CEBDHN Cc1c(CN2C[C@H](C)C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000398885807 270364372 /nfs/dbraw/zinc/36/43/72/270364372.db2.gz BXLRHLCMGIGSJQ-DGCLKSJQSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nnc[nH]2)C1 ZINC000425551617 271168526 /nfs/dbraw/zinc/16/85/26/271168526.db2.gz QNFFAVOFDOOUOI-JQWIXIFHSA-N 0 3 287.323 2.263 20 5 CEBDHN Cc1cc(N2C[C@@H](C)N(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788445 274712872 /nfs/dbraw/zinc/71/28/72/274712872.db2.gz TUFLFXVXKPABHK-VXGBXAGGSA-N 0 3 263.341 2.432 20 5 CEBDHN CC(C)(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192850861 275555422 /nfs/dbraw/zinc/55/54/22/275555422.db2.gz AYQIIQUJRLRUKU-CYBMUJFWSA-N 0 3 264.325 2.333 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000298135353 276173845 /nfs/dbraw/zinc/17/38/45/276173845.db2.gz BNZPNGOCMOIYNL-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cn[nH]c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295952220 280283833 /nfs/dbraw/zinc/28/38/33/280283833.db2.gz HEUHHVZVBULIBN-JTQLQIEISA-N 0 3 260.297 2.477 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272208084 290160147 /nfs/dbraw/zinc/16/01/47/290160147.db2.gz PTQRIEDSZDAXEA-RISCZKNCSA-N 0 3 261.325 2.125 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000364986292 290234639 /nfs/dbraw/zinc/23/46/39/290234639.db2.gz LCOAZHSTFGENBS-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN COc1cc(N2CCN(C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487059879 290330379 /nfs/dbraw/zinc/33/03/79/290330379.db2.gz OSZUUDHWEIGWSO-AWEZNQCLSA-N 0 3 293.367 2.380 20 5 CEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531300115 298102457 /nfs/dbraw/zinc/10/24/57/298102457.db2.gz AQMUABPQRKDMMX-TXEJJXNPSA-N 0 3 291.351 2.084 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)NC(C)C ZINC000536883177 298206846 /nfs/dbraw/zinc/20/68/46/298206846.db2.gz RNCYOKPAINXMRK-GFCCVEGCSA-N 0 3 293.367 2.469 20 5 CEBDHN COc1cc(CN(C)CC(C)(C)OC)ccc1[N+](=O)[O-] ZINC000537607072 298214991 /nfs/dbraw/zinc/21/49/91/298214991.db2.gz NOMATGIKVWGXOR-UHFFFAOYSA-N 0 3 282.340 2.460 20 5 CEBDHN CO[C@@]1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184310 298328885 /nfs/dbraw/zinc/32/88/85/298328885.db2.gz NXJPXLYINNWCGQ-SWLSCSKDSA-N 0 3 294.351 2.359 20 5 CEBDHN CN(C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000522008551 313139422 /nfs/dbraw/zinc/13/94/22/313139422.db2.gz TZSPLDFYUCQKOX-NSHDSACASA-N 0 3 291.273 2.349 20 5 CEBDHN C[C@@H]1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000524771240 313142787 /nfs/dbraw/zinc/14/27/87/313142787.db2.gz HSBWAPZZLCPXDG-LLVKDONJSA-N 0 3 292.339 2.058 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@](C)(O)C(C)C ZINC000183478972 321718129 /nfs/dbraw/zinc/71/81/29/321718129.db2.gz ZJVDMWPZTIFGEV-CQSZACIVSA-N 0 3 266.341 2.400 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)CC1CCOCC1 ZINC000156205505 525457713 /nfs/dbraw/zinc/45/77/13/525457713.db2.gz UGMFEFDNYIGRCF-UHFFFAOYSA-N 0 3 294.351 2.462 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(CC(F)F)C1 ZINC000418141682 534887200 /nfs/dbraw/zinc/88/72/00/534887200.db2.gz XEAMOXSOPVAXMM-LLVKDONJSA-N 0 3 285.294 2.024 20 5 CEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(CCCCF)C2)c1 ZINC000367513191 527417275 /nfs/dbraw/zinc/41/72/75/527417275.db2.gz JREBVMJNVYGYRM-NSHDSACASA-N 0 3 270.308 2.178 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000742834176 575035294 /nfs/dbraw/zinc/03/52/94/575035294.db2.gz MKXMIZMMJQTVRX-CQSZACIVSA-N 0 3 293.367 2.219 20 5 CEBDHN CSCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101685 623018012 /nfs/dbraw/zinc/01/80/12/623018012.db2.gz GYOMEYMMJFWANO-SECBINFHSA-N 0 3 269.322 2.372 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(F)cc1F ZINC000813104162 623022346 /nfs/dbraw/zinc/02/23/46/623022346.db2.gz XFLLPCCWHBYKFY-ZETCQYMHSA-N 0 3 259.208 2.095 20 5 CEBDHN COc1cccc([C@H](C)CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107085 623026644 /nfs/dbraw/zinc/02/66/44/623026644.db2.gz JKTJRYLHZPIZHN-GHMZBOCLSA-N 0 3 281.308 2.397 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C1CC1 ZINC000813115513 623082755 /nfs/dbraw/zinc/08/27/55/623082755.db2.gz UIUWEADFRHFJIJ-SECBINFHSA-N 0 3 279.292 2.395 20 5 CEBDHN Cc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000158639702 624580934 /nfs/dbraw/zinc/58/09/34/624580934.db2.gz UKEPUOUPLBWIKN-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402154 634711649 /nfs/dbraw/zinc/71/16/49/634711649.db2.gz NJWLHGKQPPGQGT-JQWIXIFHSA-N 0 3 278.308 2.259 20 5 CEBDHN C[C@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737321 630653448 /nfs/dbraw/zinc/65/34/48/630653448.db2.gz QYGPNAKVWNTXPM-GZMMTYOYSA-N 0 3 270.716 2.373 20 5 CEBDHN CC(COC(=O)CCc1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000813103740 632622670 /nfs/dbraw/zinc/62/26/70/632622670.db2.gz SAONAPKUROGMTE-SNVBAGLBSA-N 0 3 276.292 2.309 20 5 CEBDHN CCc1sc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813104850 632622818 /nfs/dbraw/zinc/62/28/18/632622818.db2.gz SJGMVWRAJGZTAP-MRVPVSSYSA-N 0 3 257.311 2.441 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cn1ccc2ccccc21)[N+](=O)[O-] ZINC000813105419 632623285 /nfs/dbraw/zinc/62/32/85/632623285.db2.gz ZFIWHRJRPJXCME-RYUDHWBXSA-N 0 3 290.319 2.486 20 5 CEBDHN CC(COC(=O)CCSc1ccccc1)[N+](=O)[O-] ZINC000813105756 632623515 /nfs/dbraw/zinc/62/35/15/632623515.db2.gz UDPABDRMBKOFTP-SNVBAGLBSA-N 0 3 269.322 2.377 20 5 CEBDHN COc1ccc(S[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105733 632623984 /nfs/dbraw/zinc/62/39/84/632623984.db2.gz SWSUQDVFJVDUTM-NXEZZACHSA-N 0 3 299.348 2.384 20 5 CEBDHN CC(COC(=O)CCc1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813106630 632624993 /nfs/dbraw/zinc/62/49/93/632624993.db2.gz FWGATQOOGOBMGU-NSHDSACASA-N 0 3 290.319 2.319 20 5 CEBDHN CCCOc1nc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109220 632625254 /nfs/dbraw/zinc/62/52/54/632625254.db2.gz PVEHZQCSGYQQEN-SNVBAGLBSA-N 0 3 282.296 2.001 20 5 CEBDHN CCOc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813108167 632625825 /nfs/dbraw/zinc/62/58/25/632625825.db2.gz BNGNSQROARIJGH-JTQLQIEISA-N 0 3 267.281 2.216 20 5 CEBDHN Cc1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813108222 632626030 /nfs/dbraw/zinc/62/60/30/632626030.db2.gz WASQUAQQXJPYBZ-ZETCQYMHSA-N 0 3 259.208 2.095 20 5 CEBDHN Cc1[nH]c2ccccc2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110807 632626566 /nfs/dbraw/zinc/62/65/66/632626566.db2.gz JVJNPMHDMWPCIT-MRVPVSSYSA-N 0 3 262.265 2.298 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)[N+](=O)[O-] ZINC000813109910 632626743 /nfs/dbraw/zinc/62/67/43/632626743.db2.gz XLCJMYZUOUKFEB-JEZHCXPESA-N 0 3 285.246 2.277 20 5 CEBDHN CC(COC(=O)c1ccc([C@@H]2CCCOC2)cc1)[N+](=O)[O-] ZINC000813109716 632626868 /nfs/dbraw/zinc/62/68/68/632626868.db2.gz OFUYTGKKBDQWSN-BXUZGUMPSA-N 0 3 293.319 2.403 20 5 CEBDHN Cc1cccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c21 ZINC000813115300 632629495 /nfs/dbraw/zinc/62/94/95/632629495.db2.gz ORWUEDWQTPBORU-JTQLQIEISA-N 0 3 276.292 2.227 20 5 CEBDHN C[C@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625712 633040126 /nfs/dbraw/zinc/04/01/26/633040126.db2.gz KPOJPFFQSAULND-HKPALBBZSA-N 0 3 271.267 2.481 20 5 CEBDHN COc1ccccc1C1(CNCC[N+](=O)[O-])CCCC1 ZINC000899872383 633069741 /nfs/dbraw/zinc/06/97/41/633069741.db2.gz AEUAMXGUKCRALN-UHFFFAOYSA-N 0 3 278.352 2.373 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000816092002 633116076 /nfs/dbraw/zinc/11/60/76/633116076.db2.gz PSUXKSCLCWGAGN-SSDOTTSWSA-N 0 3 273.672 2.171 20 5 CEBDHN COc1cc([C@H](C)NCCn2ccnc2)cc([N+](=O)[O-])c1 ZINC000903057077 634949335 /nfs/dbraw/zinc/94/93/35/634949335.db2.gz BCAAFESQDCVPJV-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN COc1cc([C@H](C)NC[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157323 634992462 /nfs/dbraw/zinc/99/24/62/634992462.db2.gz DDAXMGQOJIFOKR-UWVGGRQHSA-N 0 3 268.313 2.289 20 5 CEBDHN C[C@@H](N[C@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903286929 635051641 /nfs/dbraw/zinc/05/16/41/635051641.db2.gz JPKQSESOGLSPPT-HOSYDEDBSA-N 0 3 250.298 2.423 20 5 CEBDHN CC[C@H](CSc1ccccc1)NCC[N+](=O)[O-] ZINC000905178769 635851389 /nfs/dbraw/zinc/85/13/89/635851389.db2.gz DIHGZEQUSOOAKF-LLVKDONJSA-N 0 3 254.355 2.424 20 5 CEBDHN CCSc1ccccc1CCNCC[N+](=O)[O-] ZINC000905565250 636328508 /nfs/dbraw/zinc/32/85/08/636328508.db2.gz QZBOINKPTZAIEX-UHFFFAOYSA-N 0 3 254.355 2.207 20 5 CEBDHN Cn1cc(CN2CCC3(CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000876690322 650401784 /nfs/dbraw/zinc/40/17/84/650401784.db2.gz UXOUPLAYZKWFRO-UHFFFAOYSA-N 0 3 278.356 2.485 20 5 CEBDHN C[C@H](O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000228082616 639614013 /nfs/dbraw/zinc/61/40/13/639614013.db2.gz VOYNEQAAHSPRAK-IUCAKERBSA-N 0 3 272.732 2.497 20 5 CEBDHN Cn1nccc1CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000231033246 639822657 /nfs/dbraw/zinc/82/26/57/639822657.db2.gz YJQOQEPFABODDS-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000844403218 640709451 /nfs/dbraw/zinc/70/94/51/640709451.db2.gz DUJQIRNKVHHNBW-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN CO[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874455 641117451 /nfs/dbraw/zinc/11/74/51/641117451.db2.gz IRRUCLJZQAKRFE-LNLATYFQSA-N 0 3 285.271 2.110 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C1CC(O)C1 ZINC000877344042 650680396 /nfs/dbraw/zinc/68/03/96/650680396.db2.gz CRDAOWWRAYUIKI-UHFFFAOYSA-N 0 3 264.325 2.167 20 5 CEBDHN CC(COC(=O)C1CCC(C2CC2)CC1)[N+](=O)[O-] ZINC000851036531 642890216 /nfs/dbraw/zinc/89/02/16/642890216.db2.gz JXYZPWMUJZWPDG-GCVQQVDUSA-N 0 3 255.314 2.411 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1OCCCO1 ZINC000922281586 642998297 /nfs/dbraw/zinc/99/82/97/642998297.db2.gz VUJUKLXIZTYHSW-WQLSENKSSA-N 0 3 292.335 2.351 20 5 CEBDHN Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242761 643720263 /nfs/dbraw/zinc/72/02/63/643720263.db2.gz WSYMAMOZGTZHCH-QWRGUYRKSA-N 0 3 297.380 2.240 20 5 CEBDHN CCCN1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000853905633 643939818 /nfs/dbraw/zinc/93/98/18/643939818.db2.gz BMSSVBNRPOLOCJ-JTQLQIEISA-N 0 3 294.311 2.399 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000839198283 644191750 /nfs/dbraw/zinc/19/17/50/644191750.db2.gz KWBVQCXLEGJAJJ-YPMHNXCESA-N 0 3 268.288 2.391 20 5 CEBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059222 645686192 /nfs/dbraw/zinc/68/61/92/645686192.db2.gz WYQYNEYKKKXNFB-JOYOIKCWSA-N 0 3 293.348 2.436 20 5 CEBDHN CC(COC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)[N+](=O)[O-] ZINC000860776702 645902623 /nfs/dbraw/zinc/90/26/23/645902623.db2.gz HGIFRBRENQXEAQ-CHULRUDVSA-N 0 3 295.722 2.434 20 5 CEBDHN CON(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872083904 649268442 /nfs/dbraw/zinc/26/84/42/649268442.db2.gz DWPZICQSRWOBMR-JTQLQIEISA-N 0 3 299.396 2.461 20 5 CEBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781764 649488950 /nfs/dbraw/zinc/48/89/50/649488950.db2.gz YLPALYGCRVVTNM-NWDGAFQWSA-N 0 3 279.315 2.407 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[N+](=O)[O-] ZINC000879064707 651237519 /nfs/dbraw/zinc/23/75/19/651237519.db2.gz MTNRKCXWIIOVFN-NWANDNLSSA-N 0 3 276.336 2.248 20 5 CEBDHN CN(CCN1CCCCC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882530729 652123255 /nfs/dbraw/zinc/12/32/55/652123255.db2.gz SRKWZMZSJQKYAJ-UHFFFAOYSA-N 0 3 282.319 2.051 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)Cc1ccoc1 ZINC000883268876 652419254 /nfs/dbraw/zinc/41/92/54/652419254.db2.gz UYOHRXJKNQSYAS-ZDUSSCGKSA-N 0 3 290.319 2.129 20 5 CEBDHN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CC=CC1 ZINC001117799107 814953028 /nfs/dbraw/zinc/95/30/28/814953028.db2.gz OYBBYMVOZSQLIW-UHFFFAOYSA-N 0 3 284.319 2.427 20 5 CEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CN(C)C1 ZINC000692652636 803748575 /nfs/dbraw/zinc/74/85/75/803748575.db2.gz GEIHUGOSGWGKDU-UHFFFAOYSA-N 0 3 283.759 2.242 20 5 CEBDHN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001225613807 805027624 /nfs/dbraw/zinc/02/76/24/805027624.db2.gz UVWRWIVWYZEXTI-LLVKDONJSA-N 0 3 266.297 2.076 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CN3CCC2CC3)c1 ZINC000094659361 808743410 /nfs/dbraw/zinc/74/34/10/808743410.db2.gz FHJCNEASLGSMST-CYBMUJFWSA-N 0 3 261.325 2.409 20 5 CEBDHN CN1CCC[C@@](C)(Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001162343000 809412911 /nfs/dbraw/zinc/41/29/11/809412911.db2.gz ZCWIOBOMPDQWGI-GFCCVEGCSA-N 0 3 268.292 2.025 20 5 CEBDHN Cc1nc2c(s1)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033658 811346459 /nfs/dbraw/zinc/34/64/59/811346459.db2.gz CZLWFXSSDQGZNH-QWRGUYRKSA-N 0 3 281.381 2.255 20 5 CEBDHN C[C@@H](N)c1ccn(-c2ncc(C(C)(C)C)cc2[N+](=O)[O-])n1 ZINC001169227654 811440412 /nfs/dbraw/zinc/44/04/12/811440412.db2.gz DNGLSTDXKQTWPY-SECBINFHSA-N 0 3 289.339 2.493 20 5 CEBDHN Cc1c(F)cc([N+](=O)[O-])cc1NCC1CN(C)C1 ZINC001170258248 812363692 /nfs/dbraw/zinc/36/36/92/812363692.db2.gz HLZBNRBURINHLW-UHFFFAOYSA-N 0 3 253.277 2.016 20 5 CEBDHN C[C@@H](NCCOC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000714981497 814920421 /nfs/dbraw/zinc/92/04/21/814920421.db2.gz CEILUKMWVZWUKM-SNVBAGLBSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2c1CNCC2 ZINC001173220783 815625893 /nfs/dbraw/zinc/62/58/93/815625893.db2.gz CKYWDBZNOKHJMR-LLVKDONJSA-N 0 3 286.335 2.241 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccno1 ZINC001173209284 815635437 /nfs/dbraw/zinc/63/54/37/815635437.db2.gz BANYYHKNHWDCJV-SNVBAGLBSA-N 0 3 261.281 2.304 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCCO2)c1 ZINC000042813520 362121023 /nfs/dbraw/zinc/12/10/23/362121023.db2.gz WZLYSFFMKIXNBT-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294986385 199286037 /nfs/dbraw/zinc/28/60/37/199286037.db2.gz HCNKPZHVUIXMGC-ZYHUDNBSSA-N 0 3 288.294 2.397 20 5 CEBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCCC1 ZINC000041297860 343439706 /nfs/dbraw/zinc/43/97/06/343439706.db2.gz STJGMCPYTWANIN-UHFFFAOYSA-N 0 3 295.339 2.182 20 5 CEBDHN C[C@H]1CSC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000336724202 365786243 /nfs/dbraw/zinc/78/62/43/365786243.db2.gz BECMFPOTUFETRT-CBAPKCEASA-N 0 3 258.368 2.497 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000067164554 343731248 /nfs/dbraw/zinc/73/12/48/343731248.db2.gz DYWICJGDUDBHCU-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCn2ccnn2)c(Cl)c1 ZINC000126944149 187272175 /nfs/dbraw/zinc/27/21/75/187272175.db2.gz OWXDMLPSTXZARS-UHFFFAOYSA-N 0 3 295.730 2.020 20 5 CEBDHN CN(C)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075640144 343860860 /nfs/dbraw/zinc/86/08/60/343860860.db2.gz PBIRBODAINJONJ-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN CC1CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000048966525 362317460 /nfs/dbraw/zinc/31/74/60/362317460.db2.gz ZJNIHLHOVCSVGN-UHFFFAOYSA-N 0 3 297.380 2.118 20 5 CEBDHN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H](C)O ZINC000083171018 344075244 /nfs/dbraw/zinc/07/52/44/344075244.db2.gz HZMLYLWVUHXCIQ-SNVBAGLBSA-N 0 3 293.323 2.327 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049096338 362339342 /nfs/dbraw/zinc/33/93/42/362339342.db2.gz BKWGGSZLKJMHAM-SNVBAGLBSA-N 0 3 297.742 2.072 20 5 CEBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCCCCC1 ZINC000602430034 347029317 /nfs/dbraw/zinc/02/93/17/347029317.db2.gz KBWKQECPBYPXQC-UHFFFAOYSA-N 0 3 266.345 2.483 20 5 CEBDHN CCc1nn(C)c(NCCN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000094136455 344233697 /nfs/dbraw/zinc/23/36/97/344233697.db2.gz UBNXJDLRXUQTAL-NSHDSACASA-N 0 3 295.387 2.177 20 5 CEBDHN Cc1c(CN[C@@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541041 344337470 /nfs/dbraw/zinc/33/74/70/344337470.db2.gz VXYOEGPDXSHMDP-OLZOCXBDSA-N 0 3 264.325 2.152 20 5 CEBDHN CC(C)N1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770749 344551494 /nfs/dbraw/zinc/55/14/94/344551494.db2.gz CWSZYOKNYWMQOG-VIFPVBQESA-N 0 3 270.358 2.194 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(O)cc2)cc1 ZINC000228411207 344560545 /nfs/dbraw/zinc/56/05/45/344560545.db2.gz ARSQYYQKZWJDCB-UHFFFAOYSA-N 0 3 288.303 2.469 20 5 CEBDHN Cc1c(CN(CCO)C(C)C)cccc1[N+](=O)[O-] ZINC000050103860 362400047 /nfs/dbraw/zinc/40/00/47/362400047.db2.gz IKXXDKXKIGZRGS-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1n[nH]cc1CCCNCc1ccccc1[N+](=O)[O-] ZINC000050182615 362407749 /nfs/dbraw/zinc/40/77/49/362407749.db2.gz CJCYGMBGBUDGSK-UHFFFAOYSA-N 0 3 274.324 2.349 20 5 CEBDHN C[C@@H]1C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514595 347063689 /nfs/dbraw/zinc/06/36/89/347063689.db2.gz LGSGEMYPDBLKSF-BDAKNGLRSA-N 0 3 261.281 2.482 20 5 CEBDHN Cc1c([C@H](C)NCC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000305192171 344710049 /nfs/dbraw/zinc/71/00/49/344710049.db2.gz YLUZVCSWYDYZDT-NSHDSACASA-N 0 3 264.325 2.326 20 5 CEBDHN CC[C@H](NCC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222907 344878247 /nfs/dbraw/zinc/87/82/47/344878247.db2.gz ZPVDROPUZDUVBQ-LSDHHAIUSA-N 0 3 294.351 2.177 20 5 CEBDHN CC[C@@H](CN1CCCC1)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000588819011 345056339 /nfs/dbraw/zinc/05/63/39/345056339.db2.gz GIRLVLKDKJJTAV-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](O)C23CCCC3)c1 ZINC000590122724 345115256 /nfs/dbraw/zinc/11/52/56/345115256.db2.gz FFEFHLBKJKLKGZ-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN Cc1ccc(CN2CC[C@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052488 345111214 /nfs/dbraw/zinc/11/12/14/345111214.db2.gz DAPSLQRBYKQYSL-DZGCQCFKSA-N 0 3 275.352 2.039 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)CN2CCCCC2)c1 ZINC000590702023 345163913 /nfs/dbraw/zinc/16/39/13/345163913.db2.gz NSURPFLXRNBJEH-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592832211 345401765 /nfs/dbraw/zinc/40/17/65/345401765.db2.gz TVDNPIPOSVOVII-AWEZNQCLSA-N 0 3 291.351 2.151 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCC[C@H]1O ZINC000594494768 345637675 /nfs/dbraw/zinc/63/76/75/345637675.db2.gz FSRNPUDSUQONJD-KCQAQPDRSA-N 0 3 276.336 2.475 20 5 CEBDHN CCOc1ccc([C@@H](C)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000595074061 345739942 /nfs/dbraw/zinc/73/99/42/345739942.db2.gz VGWGNCIRELKTCM-SGUJLRQBSA-N 0 3 280.324 2.193 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCN1C ZINC000595010877 345726302 /nfs/dbraw/zinc/72/63/02/345726302.db2.gz ZNPDQBYWIQBYLE-WCQYABFASA-N 0 3 293.367 2.348 20 5 CEBDHN CCC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018292 345728220 /nfs/dbraw/zinc/72/82/20/345728220.db2.gz NGKTZEAOHGHPAB-JQWIXIFHSA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCN[C@H]1CCCn2nccc21 ZINC000595024484 345730424 /nfs/dbraw/zinc/73/04/24/345730424.db2.gz GKMKIKYKRAPCKG-ZDUSSCGKSA-N 0 3 286.335 2.459 20 5 CEBDHN CC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045879 345734124 /nfs/dbraw/zinc/73/41/24/345734124.db2.gz UVFJZUGWBFJZHN-MWLCHTKSSA-N 0 3 268.313 2.025 20 5 CEBDHN C[C@@H](N[C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064679 345737980 /nfs/dbraw/zinc/73/79/80/345737980.db2.gz AFEBXJBICZPYSZ-MNOVXSKESA-N 0 3 264.325 2.406 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1CCC[C@H]1CCO ZINC000595454709 345786797 /nfs/dbraw/zinc/78/67/97/345786797.db2.gz OGGVGTZTNJCYBI-GWCFXTLKSA-N 0 3 282.315 2.375 20 5 CEBDHN CCOc1cc(CN[C@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595613717 345827918 /nfs/dbraw/zinc/82/79/18/345827918.db2.gz AIMUOLWLGPULII-CYBMUJFWSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@](O)(C2CC2)C1 ZINC000595750137 345865863 /nfs/dbraw/zinc/86/58/63/345865863.db2.gz OWSSCOOERPBIDJ-OAHLLOKOSA-N 0 3 276.336 2.332 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595751430 345866589 /nfs/dbraw/zinc/86/65/89/345866589.db2.gz QJHRVAJYDDZREZ-OAHLLOKOSA-N 0 3 276.336 2.332 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000596085019 345936111 /nfs/dbraw/zinc/93/61/11/345936111.db2.gz GANXNLSYFZMDRP-LLVKDONJSA-N 0 3 294.355 2.229 20 5 CEBDHN C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596217872 345972280 /nfs/dbraw/zinc/97/22/80/345972280.db2.gz YOPWROCVGSXGCZ-NSHDSACASA-N 0 3 294.355 2.228 20 5 CEBDHN C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596217872 345972282 /nfs/dbraw/zinc/97/22/82/345972282.db2.gz YOPWROCVGSXGCZ-NSHDSACASA-N 0 3 294.355 2.228 20 5 CEBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000596453470 346028245 /nfs/dbraw/zinc/02/82/45/346028245.db2.gz KOCWRKJBNDLMCX-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000597206162 346148002 /nfs/dbraw/zinc/14/80/02/346148002.db2.gz QUWCTHUSCFAYBO-VXGBXAGGSA-N 0 3 278.352 2.352 20 5 CEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCN(C)C1 ZINC000597947238 346256059 /nfs/dbraw/zinc/25/60/59/346256059.db2.gz WJRHRJHMPISIEV-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000598342424 346332104 /nfs/dbraw/zinc/33/21/04/346332104.db2.gz NAKUBMCABMLIHD-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCN(C)C ZINC000085636018 179109215 /nfs/dbraw/zinc/10/92/15/179109215.db2.gz GVXPRWWBFGMSLP-UHFFFAOYSA-N 0 3 294.355 2.237 20 5 CEBDHN CCC[C@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000601140170 346766950 /nfs/dbraw/zinc/76/69/50/346766950.db2.gz SEZXMVHNERYITL-GFCCVEGCSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@H](NC[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812415 365851446 /nfs/dbraw/zinc/85/14/46/365851446.db2.gz AFRYOVYJMILNAX-IINYFYTJSA-N 0 3 264.325 2.406 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCC[C@@H](O)C(F)F ZINC000601147535 346769031 /nfs/dbraw/zinc/76/90/31/346769031.db2.gz QWYQOUHJJUVJKH-KTLBGCOUSA-N 0 3 286.278 2.214 20 5 CEBDHN CCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000236901595 370649801 /nfs/dbraw/zinc/64/98/01/370649801.db2.gz UTWVTGUOAQJSQT-CQSZACIVSA-N 0 3 293.367 2.459 20 5 CEBDHN C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814626 365856859 /nfs/dbraw/zinc/85/68/59/365856859.db2.gz XPYWANCBCZLWIA-ONGXEEELSA-N 0 3 268.288 2.391 20 5 CEBDHN C[C@H](NC[C@@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804596 347206536 /nfs/dbraw/zinc/20/65/36/347206536.db2.gz KEEQNPHVVKBTRN-QWRGUYRKSA-N 0 3 287.323 2.024 20 5 CEBDHN CCC[C@H](CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732115 347175915 /nfs/dbraw/zinc/17/59/15/347175915.db2.gz OGRDKDQNXDLJMS-HUUCEWRRSA-N 0 3 296.367 2.207 20 5 CEBDHN CCn1ccc(CN(C)CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602817754 347211916 /nfs/dbraw/zinc/21/19/16/347211916.db2.gz WDFUPNRYBYFORK-UHFFFAOYSA-N 0 3 291.355 2.053 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C2CC2)CC1 ZINC000602838720 347219930 /nfs/dbraw/zinc/21/99/30/347219930.db2.gz GYTRUAXNGOYEOJ-UHFFFAOYSA-N 0 3 278.356 2.222 20 5 CEBDHN CC[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000602845192 347222829 /nfs/dbraw/zinc/22/28/29/347222829.db2.gz GEXRLWVVNKRZCY-MNOVXSKESA-N 0 3 266.345 2.243 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[C@H]2O)cc1 ZINC000085962968 179204611 /nfs/dbraw/zinc/20/46/11/179204611.db2.gz JVBPZMGZAFNQCP-GXTWGEPZSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1ccc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603418219 347365224 /nfs/dbraw/zinc/36/52/24/347365224.db2.gz DNTBGTNTERNERJ-JTQLQIEISA-N 0 3 267.354 2.020 20 5 CEBDHN CC[C@H]1CCCCN1CCNc1c([N+](=O)[O-])ncn1C ZINC000609595616 347645659 /nfs/dbraw/zinc/64/56/59/347645659.db2.gz XQOGZMOHXUDUDH-NSHDSACASA-N 0 3 281.360 2.005 20 5 CEBDHN CC[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610655624 347698911 /nfs/dbraw/zinc/69/89/11/347698911.db2.gz CRZNCFDCAPGCHB-GFCCVEGCSA-N 0 3 266.345 2.364 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)CO ZINC000611235461 347754544 /nfs/dbraw/zinc/75/45/44/347754544.db2.gz BMXOMLFPAYPWGJ-GFCCVEGCSA-N 0 3 266.341 2.434 20 5 CEBDHN C[C@H](NC[C@@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992677 365914621 /nfs/dbraw/zinc/91/46/21/365914621.db2.gz JPLRSEKQMRRJSB-XHDPSFHLSA-N 0 3 294.351 2.033 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000274122344 192450104 /nfs/dbraw/zinc/45/01/04/192450104.db2.gz XEHFCCCRSHEDBS-QWRGUYRKSA-N 0 3 280.324 2.272 20 5 CEBDHN CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000092026857 180308668 /nfs/dbraw/zinc/30/86/68/180308668.db2.gz ONGURCZSQKHZMU-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN CC(C)[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393838 180376251 /nfs/dbraw/zinc/37/62/51/180376251.db2.gz MSFBTQAKJLQLLM-GWCFXTLKSA-N 0 3 252.314 2.262 20 5 CEBDHN COC1CC(N(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352212514 219364543 /nfs/dbraw/zinc/36/45/43/219364543.db2.gz QMEFHQKJMXDBOW-UHFFFAOYSA-N 0 3 250.298 2.204 20 5 CEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000123684503 187104127 /nfs/dbraw/zinc/10/41/27/187104127.db2.gz CQWCCLYYAWPQAZ-AAEUAGOBSA-N 0 3 291.351 2.150 20 5 CEBDHN CC(C)(NCCn1cccn1)c1ccccc1[N+](=O)[O-] ZINC000292114828 198168222 /nfs/dbraw/zinc/16/82/22/198168222.db2.gz JLKYADVOMVSZGM-UHFFFAOYSA-N 0 3 274.324 2.316 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000153160782 188068285 /nfs/dbraw/zinc/06/82/85/188068285.db2.gz IBPICQGIIIDRHJ-MNOVXSKESA-N 0 3 282.340 2.273 20 5 CEBDHN CCN(C)C(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671760 191269780 /nfs/dbraw/zinc/26/97/80/191269780.db2.gz AZGGXBLPADPEGP-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN C[C@@H]1[C@@H](C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154406121 188140816 /nfs/dbraw/zinc/14/08/16/188140816.db2.gz MFPGRIPQXFQUSJ-WDMOLILDSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1cc(NCCN2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740800 363380153 /nfs/dbraw/zinc/38/01/53/363380153.db2.gz GRZRIPIMQHGAQY-LLVKDONJSA-N 0 3 278.356 2.442 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CN1C1CC1 ZINC000133523459 366233058 /nfs/dbraw/zinc/23/30/58/366233058.db2.gz QMYNBBRDOADCAI-ZJUUUORDSA-N 0 3 262.313 2.027 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778810 191320881 /nfs/dbraw/zinc/32/08/81/191320881.db2.gz KNLZXHGYWBKGGC-JSGCOSHPSA-N 0 3 296.367 2.340 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795937 291079587 /nfs/dbraw/zinc/07/95/87/291079587.db2.gz RHNVHWUFJVZBMA-PWSUYJOCSA-N 0 3 293.323 2.004 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCc1cnccn1 ZINC000273706720 192271158 /nfs/dbraw/zinc/27/11/58/192271158.db2.gz FGXDSMMTKYJAEX-UHFFFAOYSA-N 0 3 286.335 2.368 20 5 CEBDHN CC(C)(C)OC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC000134530606 366333813 /nfs/dbraw/zinc/33/38/13/366333813.db2.gz WRCCWXJLUUOMGW-UHFFFAOYSA-N 0 3 295.339 2.209 20 5 CEBDHN C[C@H](NC[C@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906826 199242825 /nfs/dbraw/zinc/24/28/25/199242825.db2.gz FHKMBBQNQYPDJX-NWDGAFQWSA-N 0 3 291.351 2.162 20 5 CEBDHN CCNC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135741730 366473773 /nfs/dbraw/zinc/47/37/73/366473773.db2.gz KHDOQEIUOOUYLI-NSHDSACASA-N 0 3 279.340 2.080 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000297040880 200069309 /nfs/dbraw/zinc/06/93/09/200069309.db2.gz VFBWCMGYTZBQLM-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@H](C(=O)NC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000579322006 366626214 /nfs/dbraw/zinc/62/62/14/366626214.db2.gz BWTBAWGBXGCVBN-NSHDSACASA-N 0 3 293.367 2.155 20 5 CEBDHN Cc1cc(=O)n(C[C@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000339114725 366659173 /nfs/dbraw/zinc/65/91/73/366659173.db2.gz DBXYDDSTXJOUBG-CYBMUJFWSA-N 0 3 293.367 2.328 20 5 CEBDHN Cc1cc(NCCN2CCCCC2)ncc1[N+](=O)[O-] ZINC000081275252 363708770 /nfs/dbraw/zinc/70/87/70/363708770.db2.gz PUDLOOWORISUON-UHFFFAOYSA-N 0 3 264.329 2.196 20 5 CEBDHN Cc1c([C@@H](C)NCCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000178224016 189098610 /nfs/dbraw/zinc/09/86/10/189098610.db2.gz QCPNXFZUTQKQQJ-GFCCVEGCSA-N 0 3 293.367 2.326 20 5 CEBDHN Cc1cnc(CCNCc2csc([N+](=O)[O-])c2)cn1 ZINC000453599471 283603830 /nfs/dbraw/zinc/60/38/30/283603830.db2.gz RIMOIZBMONYGTB-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN COc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1[O-] ZINC000580096517 366750830 /nfs/dbraw/zinc/75/08/30/366750830.db2.gz HUUSJRBETBFZAX-MSRIBSCDSA-N 0 3 278.308 2.197 20 5 CEBDHN C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000342362424 216325202 /nfs/dbraw/zinc/32/52/02/216325202.db2.gz SZJDTFAGJCESNR-MFKMUULPSA-N 0 3 292.339 2.199 20 5 CEBDHN C[C@@H](NCCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000184020809 189374690 /nfs/dbraw/zinc/37/46/90/189374690.db2.gz DZDZEIBGZBMNMB-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000301804469 201207636 /nfs/dbraw/zinc/20/76/36/201207636.db2.gz DPOWAWZLURECSC-CYBMUJFWSA-N 0 3 293.367 2.426 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310354 189382929 /nfs/dbraw/zinc/38/29/29/189382929.db2.gz FQIDZTPKKKVUQU-ADWYPQAOSA-N 0 3 284.381 2.321 20 5 CEBDHN CC[C@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440125 363810958 /nfs/dbraw/zinc/81/09/58/363810958.db2.gz GKPJKSZNGQCUCQ-LBPRGKRZSA-N 0 3 272.732 2.499 20 5 CEBDHN COC[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237237354 370704030 /nfs/dbraw/zinc/70/40/30/370704030.db2.gz BSKXCIPYPGRINR-ZRQQLDRUSA-N 0 3 250.298 2.233 20 5 CEBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282630 291306736 /nfs/dbraw/zinc/30/67/36/291306736.db2.gz FCLWGERFRGXYSS-NWDGAFQWSA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000158444777 366856530 /nfs/dbraw/zinc/85/65/30/366856530.db2.gz AJDUYWNMGKAHSW-NXEZZACHSA-N 0 3 289.339 2.366 20 5 CEBDHN CCC(O)(CC)CNCc1ccccc1[N+](=O)[O-] ZINC000112017966 364769096 /nfs/dbraw/zinc/76/90/96/364769096.db2.gz YQMUVASPQLBURT-UHFFFAOYSA-N 0 3 252.314 2.236 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000119990850 365356907 /nfs/dbraw/zinc/35/69/07/365356907.db2.gz LAQXYMCNHYXQBQ-LBPRGKRZSA-N 0 3 282.365 2.411 20 5 CEBDHN CC[C@H](Cn1cncn1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524506 366920792 /nfs/dbraw/zinc/92/07/92/366920792.db2.gz ISLSVTCLPABRQX-WCQYABFASA-N 0 3 289.339 2.316 20 5 CEBDHN CCOC(CCNCc1cccc([N+](=O)[O-])c1)OCC ZINC000159544501 366924349 /nfs/dbraw/zinc/92/43/49/366924349.db2.gz RENJWLXWYQMWGP-UHFFFAOYSA-N 0 3 282.340 2.474 20 5 CEBDHN C[C@H](C[C@H](C)O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736132 366952032 /nfs/dbraw/zinc/95/20/32/366952032.db2.gz UDSSGCRHVPFBJD-NRUUGDAUSA-N 0 3 264.325 2.331 20 5 CEBDHN Cc1c(CN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000583217160 367018511 /nfs/dbraw/zinc/01/85/11/367018511.db2.gz OOOSBSQKSSVAKD-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN Cc1c(C(=O)N[C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343452728 367823545 /nfs/dbraw/zinc/82/35/45/367823545.db2.gz ORRGJICCQFNDQY-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1noc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173391137 367906533 /nfs/dbraw/zinc/90/65/33/367906533.db2.gz UZCZGPXHKHOXFE-SECBINFHSA-N 0 3 276.296 2.180 20 5 CEBDHN Cc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174844562 368072709 /nfs/dbraw/zinc/07/27/09/368072709.db2.gz YUMUELXGHDPYPH-UHFFFAOYSA-N 0 3 280.353 2.293 20 5 CEBDHN CCS[C@@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000346554253 368716515 /nfs/dbraw/zinc/71/65/15/368716515.db2.gz GNQJAQYJAJCBDB-CMPLNLGQSA-N 0 3 298.412 2.482 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@@H](CC)CO)cc1[N+](=O)[O-] ZINC000188672063 369392829 /nfs/dbraw/zinc/39/28/29/369392829.db2.gz OQNUWHDRGPRSSD-PWSUYJOCSA-N 0 3 282.340 2.415 20 5 CEBDHN Cc1ccc(-c2noc([C@H]3CCN(C)C3)n2)cc1[N+](=O)[O-] ZINC000349961913 369465716 /nfs/dbraw/zinc/46/57/16/369465716.db2.gz YKCGXZSGSTWWRW-NSHDSACASA-N 0 3 288.307 2.372 20 5 CEBDHN Cc1cccc(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000276108615 193216279 /nfs/dbraw/zinc/21/62/79/193216279.db2.gz ZVEJOLHIKODBLC-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCCC3)CC2)c1 ZINC000350090020 369501961 /nfs/dbraw/zinc/50/19/61/369501961.db2.gz YMLKRBKYVAGAHY-UHFFFAOYSA-N 0 3 278.356 2.448 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189678067 369559270 /nfs/dbraw/zinc/55/92/70/369559270.db2.gz RBUGWFIBANDZEQ-OAHLLOKOSA-N 0 3 294.351 2.340 20 5 CEBDHN Cc1c(CN2CC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000189739008 369565202 /nfs/dbraw/zinc/56/52/02/369565202.db2.gz LKECSDPFFWJKFQ-YGRLFVJLSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)N(C)C ZINC000276448652 193335028 /nfs/dbraw/zinc/33/50/28/193335028.db2.gz TUDXGKMRPQDIQB-LLVKDONJSA-N 0 3 294.355 2.283 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCOC[C@H]1C ZINC000192131101 369774837 /nfs/dbraw/zinc/77/48/37/369774837.db2.gz RSUBBNGWOYUKOS-MFKMUULPSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192250527 369784995 /nfs/dbraw/zinc/78/49/95/369784995.db2.gz DWPZKCVJPOBGND-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN Nc1ccc([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)c1 ZINC000192774513 369851290 /nfs/dbraw/zinc/85/12/90/369851290.db2.gz ZMUWDVMSDXGXEP-UHFFFAOYSA-N 0 3 290.367 2.242 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000353122651 370026545 /nfs/dbraw/zinc/02/65/45/370026545.db2.gz VQINDJJRVKYDFI-PSASIEDQSA-N 0 3 266.297 2.197 20 5 CEBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000353154844 370043268 /nfs/dbraw/zinc/04/32/68/370043268.db2.gz PAWQMGFMASURBD-GJZGRUSLSA-N 0 3 294.351 2.187 20 5 CEBDHN CSC[C@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000217854401 370201934 /nfs/dbraw/zinc/20/19/34/370201934.db2.gz FSWNCFPNJVYOMJ-CYBMUJFWSA-N 0 3 284.381 2.107 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000223239503 370262708 /nfs/dbraw/zinc/26/27/08/370262708.db2.gz HTHMOXCSTHJVJG-UHFFFAOYSA-N 0 3 252.314 2.234 20 5 CEBDHN CCC[C@@H](N[C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233295671 370518188 /nfs/dbraw/zinc/51/81/88/370518188.db2.gz LFISWJAEKICBCP-GXTWGEPZSA-N 0 3 282.340 2.033 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000234888277 370546959 /nfs/dbraw/zinc/54/69/59/370546959.db2.gz SRHOKAXQALZXMY-HIFRSBDPSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000359153838 371355792 /nfs/dbraw/zinc/35/57/92/371355792.db2.gz MANNXRRUJOILJC-OLZOCXBDSA-N 0 3 268.288 2.127 20 5 CEBDHN CO[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251508433 371403718 /nfs/dbraw/zinc/40/37/18/371403718.db2.gz BZQLIMIQRMIUQC-IUODEOHRSA-N 0 3 278.352 2.494 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@@H](C)O ZINC000361045620 371617294 /nfs/dbraw/zinc/61/72/94/371617294.db2.gz YDYIWQZSBVTHIS-WDEREUQCSA-N 0 3 282.340 2.243 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000361047419 371619461 /nfs/dbraw/zinc/61/94/61/371619461.db2.gz XPDNCQIZLCPEDQ-JOYOIKCWSA-N 0 3 293.371 2.014 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C(C)(C)C)C1 ZINC000344215051 217103622 /nfs/dbraw/zinc/10/36/22/217103622.db2.gz PIYHWDXUYMGAQO-SNVBAGLBSA-N 0 3 266.345 2.196 20 5 CEBDHN C[C@H]1C[C@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000344190929 217090530 /nfs/dbraw/zinc/09/05/30/217090530.db2.gz XXQSTICJXUQCBO-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1cnc(N[C@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268208328 372090633 /nfs/dbraw/zinc/09/06/33/372090633.db2.gz YXACFJBCEBFOSE-PWSUYJOCSA-N 0 3 276.340 2.193 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268883717 372271836 /nfs/dbraw/zinc/27/18/36/372271836.db2.gz YHLXVSYPRBJRKE-CYBMUJFWSA-N 0 3 272.308 2.485 20 5 CEBDHN CC[C@H](N[C@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099557 372340942 /nfs/dbraw/zinc/34/09/42/372340942.db2.gz TUHPNFTWPGFXLE-MFKMUULPSA-N 0 3 279.340 2.160 20 5 CEBDHN C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621837 372509280 /nfs/dbraw/zinc/50/92/80/372509280.db2.gz BAMNGDSHPUGZJQ-WDMOLILDSA-N 0 3 264.325 2.216 20 5 CEBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621833 372509500 /nfs/dbraw/zinc/50/95/00/372509500.db2.gz BAMNGDSHPUGZJQ-JTNHKYCSSA-N 0 3 264.325 2.216 20 5 CEBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000269631395 372512491 /nfs/dbraw/zinc/51/24/91/372512491.db2.gz FLZSDKWGCHGAJF-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270848103 372981838 /nfs/dbraw/zinc/98/18/38/372981838.db2.gz GEHXVNCOBOACOO-JTNHKYCSSA-N 0 3 264.325 2.359 20 5 CEBDHN COc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272257549 373390849 /nfs/dbraw/zinc/39/08/49/373390849.db2.gz ZNPGBOXINSXBHK-SMDDNHRTSA-N 0 3 291.351 2.134 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H](CO)C1 ZINC000371863983 373994781 /nfs/dbraw/zinc/99/47/81/373994781.db2.gz JSBSVNLRJZTGTN-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000377282924 374829997 /nfs/dbraw/zinc/82/99/97/374829997.db2.gz KRBPPGNNEILOFC-GXTWGEPZSA-N 0 3 292.335 2.214 20 5 CEBDHN Cc1c(CN2CC[C@@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000385897441 375247398 /nfs/dbraw/zinc/24/73/98/375247398.db2.gz OCYJJVXNBFTJAM-YPMHNXCESA-N 0 3 264.325 2.106 20 5 CEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccc([N+](=O)[O-])cc1 ZINC000286296990 375902541 /nfs/dbraw/zinc/90/25/41/375902541.db2.gz CJJZIFHTIAYQBE-FHXAZYNBSA-N 0 3 288.347 2.450 20 5 CEBDHN COc1ccc(CN[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585574 375869524 /nfs/dbraw/zinc/86/95/24/375869524.db2.gz UEQFIGANNADLEV-OLZOCXBDSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@H](CO)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312670 376186670 /nfs/dbraw/zinc/18/66/70/376186670.db2.gz OBLBBPPQUKHIDH-QMTHXVAHSA-N 0 3 264.325 2.333 20 5 CEBDHN COc1ccc(CN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000263713151 190074938 /nfs/dbraw/zinc/07/49/38/190074938.db2.gz NNPXHYXYIUZRDR-SNVBAGLBSA-N 0 3 250.298 2.445 20 5 CEBDHN C[C@H]1[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000419376923 376447546 /nfs/dbraw/zinc/44/75/46/376447546.db2.gz UKSLYYVVYPQATR-GMTAPVOTSA-N 0 3 291.351 2.170 20 5 CEBDHN COc1cc(CN(C)C[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000305814772 376501054 /nfs/dbraw/zinc/50/10/54/376501054.db2.gz JNUFIUFSZLQICG-OCCSQVGLSA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000264365523 190105241 /nfs/dbraw/zinc/10/52/41/190105241.db2.gz CIJAJMYYUZCJIB-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000290732616 376900482 /nfs/dbraw/zinc/90/04/82/376900482.db2.gz GCNWCOVOOMCKEE-MWLCHTKSSA-N 0 3 276.340 2.214 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291011644 377029906 /nfs/dbraw/zinc/02/99/06/377029906.db2.gz BBYMJZIXEUMIKY-LLVKDONJSA-N 0 3 252.314 2.452 20 5 CEBDHN N[C@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3F)nc21 ZINC000562980977 377043180 /nfs/dbraw/zinc/04/31/80/377043180.db2.gz ROICHOGYWHLNPB-ZDUSSCGKSA-N 0 3 290.298 2.315 20 5 CEBDHN C[C@@H]1CCC[C@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000293167583 377454635 /nfs/dbraw/zinc/45/46/35/377454635.db2.gz VYIOWEFAPDXSFY-RISCZKNCSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000332200515 377539661 /nfs/dbraw/zinc/53/96/61/377539661.db2.gz DESNSXYSQRITRX-GZBFAFLISA-N 0 3 276.336 2.188 20 5 CEBDHN CC(C)(C)[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000265424164 190180866 /nfs/dbraw/zinc/18/08/66/190180866.db2.gz KDRXTHXKROQLGC-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN CC[C@@H](O)[C@@H](CC)NCc1ccc([N+](=O)[O-])cc1 ZINC000313127127 249385766 /nfs/dbraw/zinc/38/57/66/249385766.db2.gz ZHCOMULYNPNRGD-CHWSQXEVSA-N 0 3 252.314 2.234 20 5 CEBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313192834 249389457 /nfs/dbraw/zinc/38/94/57/249389457.db2.gz OWFNAMVECJSSBW-YPMHNXCESA-N 0 3 282.340 2.243 20 5 CEBDHN CCC[C@@H](CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000293638874 377672868 /nfs/dbraw/zinc/67/28/68/377672868.db2.gz JONUNEQJPLNECA-ZDUSSCGKSA-N 0 3 252.314 2.500 20 5 CEBDHN Cc1c(CNC[C@@H](O)CCOC(C)C)cccc1[N+](=O)[O-] ZINC000567161326 377805927 /nfs/dbraw/zinc/80/59/27/377805927.db2.gz UHVQPRXRQJIOEL-AWEZNQCLSA-N 0 3 296.367 2.169 20 5 CEBDHN CC[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112593 377909769 /nfs/dbraw/zinc/90/97/69/377909769.db2.gz KDDVDQHZQCYFGN-GXSJLCMTSA-N 0 3 267.329 2.253 20 5 CEBDHN Cc1nc(NC[C@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447813176 378141595 /nfs/dbraw/zinc/14/15/95/378141595.db2.gz UZRHJAYOGWSRCP-CYBMUJFWSA-N 0 3 292.383 2.252 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000296043017 378401063 /nfs/dbraw/zinc/40/10/63/378401063.db2.gz UMQBJRUOUZNATJ-GARJFASQSA-N 0 3 250.298 2.077 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450351954 378370627 /nfs/dbraw/zinc/37/06/27/378370627.db2.gz UUSIJDXZJWQOQU-PWSUYJOCSA-N 0 3 293.371 2.002 20 5 CEBDHN CCN1CCC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000296240818 378463702 /nfs/dbraw/zinc/46/37/02/378463702.db2.gz FGLHGNMTMGLSRL-NSHDSACASA-N 0 3 264.329 2.073 20 5 CEBDHN C[C@H](CC(C)(C)O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296504581 378555661 /nfs/dbraw/zinc/55/56/61/378555661.db2.gz PGLUEVOXGQNJBU-NXEZZACHSA-N 0 3 281.356 2.377 20 5 CEBDHN COC[C@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296562007 378576153 /nfs/dbraw/zinc/57/61/53/378576153.db2.gz CNEWBGVTDZEVMG-OAHLLOKOSA-N 0 3 294.351 2.332 20 5 CEBDHN Cc1nc(N(C)[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450955875 378659859 /nfs/dbraw/zinc/65/98/59/378659859.db2.gz QVXMFMNUCXVDTN-GFCCVEGCSA-N 0 3 278.356 2.217 20 5 CEBDHN CCOC1CC(O)(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278464948 193998791 /nfs/dbraw/zinc/99/87/91/193998791.db2.gz NACRVSPUAQZMSU-QGLTVNCISA-N 0 3 294.351 2.175 20 5 CEBDHN CN(C)CCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278504655 194016652 /nfs/dbraw/zinc/01/66/52/194016652.db2.gz XRXCOOXLFMMZCX-UHFFFAOYSA-N 0 3 292.261 2.006 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392108 378883468 /nfs/dbraw/zinc/88/34/68/378883468.db2.gz ZDAYECKEQWJACW-IINYFYTJSA-N 0 3 291.351 2.086 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278615828 194069877 /nfs/dbraw/zinc/06/98/77/194069877.db2.gz FYUBIFHUIIRHSD-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CN1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347428651 218232191 /nfs/dbraw/zinc/23/21/91/218232191.db2.gz LUUWFLMGEWJUFW-UHFFFAOYSA-N 0 3 287.323 2.044 20 5 CEBDHN CCOC1CC(N(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000347457265 218242374 /nfs/dbraw/zinc/24/23/74/218242374.db2.gz UEGALSOAUWETFQ-UHFFFAOYSA-N 0 3 294.351 2.473 20 5 CEBDHN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000347629772 218297188 /nfs/dbraw/zinc/29/71/88/218297188.db2.gz LSCBWACLPYGKFJ-UHFFFAOYSA-N 0 3 278.308 2.170 20 5 CEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000457118460 379677121 /nfs/dbraw/zinc/67/71/21/379677121.db2.gz MZHXJSXHNUPMPA-LBPRGKRZSA-N 0 3 291.351 2.150 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N(C)C ZINC000267916440 190362824 /nfs/dbraw/zinc/36/28/24/190362824.db2.gz BQWBADFQOOZPDH-JTQLQIEISA-N 0 3 294.355 2.283 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000547363441 380434029 /nfs/dbraw/zinc/43/40/29/380434029.db2.gz QEMRXQWBFOPDQS-TZMCWYRMSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1N1CCCN(C2CC2)CC1 ZINC000057857750 285095163 /nfs/dbraw/zinc/09/51/63/285095163.db2.gz KXSYKWDYTNTBQZ-UHFFFAOYSA-N 0 3 279.315 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)cc1 ZINC000061173196 285125631 /nfs/dbraw/zinc/12/56/31/285125631.db2.gz PDPKKGUSHFEBDZ-UHFFFAOYSA-N 0 3 284.319 2.316 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000289107754 197235626 /nfs/dbraw/zinc/23/56/26/197235626.db2.gz COSCNXOYCGMGPL-UHFFFAOYSA-N 0 3 276.336 2.416 20 5 CEBDHN CCN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000094771757 184857566 /nfs/dbraw/zinc/85/75/66/184857566.db2.gz SCPSCPQKWIPQRB-UHFFFAOYSA-N 0 3 289.339 2.367 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](N(C)C)C1 ZINC000091395282 135068797 /nfs/dbraw/zinc/06/87/97/135068797.db2.gz OSJKCBHOXUPZQQ-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN C[C@@H]1CCC[C@@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H]1C ZINC000331100616 394627866 /nfs/dbraw/zinc/62/78/66/394627866.db2.gz DAFSYOYSOBLUSE-GMTAPVOTSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272135637 394767889 /nfs/dbraw/zinc/76/78/89/394767889.db2.gz AJVSGGRPPITJBT-IUODEOHRSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1cnc(N2CC[C@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286325663 395019970 /nfs/dbraw/zinc/01/99/70/395019970.db2.gz HOAFFEAPOHTPAU-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CCCCN1C1CC1 ZINC000433793335 395248087 /nfs/dbraw/zinc/24/80/87/395248087.db2.gz RUXQQBOIKVPODB-LBPRGKRZSA-N 0 3 276.340 2.419 20 5 CEBDHN Cc1nn(C)c(NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000433791688 395248668 /nfs/dbraw/zinc/24/86/68/395248668.db2.gz JGGAEVQWBKWQON-LBPRGKRZSA-N 0 3 293.371 2.066 20 5 CEBDHN C[C@@H](N[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000181070152 395209277 /nfs/dbraw/zinc/20/92/77/395209277.db2.gz WQMVWXGKACRPIS-ICCXJUOJSA-N 0 3 250.298 2.159 20 5 CEBDHN CC[C@@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473240 395299858 /nfs/dbraw/zinc/29/98/58/395299858.db2.gz ZRFUWGSWFQERLO-GHMZBOCLSA-N 0 3 294.330 2.192 20 5 CEBDHN CCN1CCC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000296199034 395310879 /nfs/dbraw/zinc/31/08/79/395310879.db2.gz BZOMSWRJEIPHMX-LLVKDONJSA-N 0 3 290.367 2.459 20 5 CEBDHN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000443864064 395403523 /nfs/dbraw/zinc/40/35/23/395403523.db2.gz SLYUHQDAQBMZBN-BQUOTFMISA-N 0 3 276.336 2.311 20 5 CEBDHN CN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193919876 395418339 /nfs/dbraw/zinc/41/83/39/395418339.db2.gz IPXYQYITBCPFTG-UHFFFAOYSA-N 0 3 293.348 2.101 20 5 CEBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@@H]21 ZINC000360210203 155244293 /nfs/dbraw/zinc/24/42/93/155244293.db2.gz VNGCOCDJYLPVFI-IJLUTSLNSA-N 0 3 278.356 2.339 20 5 CEBDHN Cc1c(CNC(=O)[C@@H](C(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000360517591 155319810 /nfs/dbraw/zinc/31/98/10/155319810.db2.gz ZHSIBYLSFHDAID-CQSZACIVSA-N 0 3 293.367 2.106 20 5 CEBDHN O=C(NCc1ccc2c(c1)CNC2)c1cccc([N+](=O)[O-])c1 ZINC000188680704 153067809 /nfs/dbraw/zinc/06/78/09/153067809.db2.gz CJAANYQCHSASAR-UHFFFAOYSA-N 0 3 297.314 2.128 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453770 153321604 /nfs/dbraw/zinc/32/16/04/153321604.db2.gz WPPACHWCCUIGDR-KWQFWETISA-N 0 3 274.267 2.180 20 5 CEBDHN CO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825878 153349340 /nfs/dbraw/zinc/34/93/40/153349340.db2.gz FMOJILSTZHSLPE-STQMWFEESA-N 0 3 264.325 2.498 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](CC(N)=O)C1 ZINC000367310022 156168436 /nfs/dbraw/zinc/16/84/36/156168436.db2.gz ZXLZUOJOZOFAEP-RYUDHWBXSA-N 0 3 291.351 2.162 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@]23CCOC3)cc1 ZINC000375328013 157080548 /nfs/dbraw/zinc/08/05/48/157080548.db2.gz SEFWLHFJGBNNFJ-OAHLLOKOSA-N 0 3 292.335 2.229 20 5 CEBDHN CC(C)OCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285246267 196231460 /nfs/dbraw/zinc/23/14/60/196231460.db2.gz PUYBKDNIAVRVJC-JTQLQIEISA-N 0 3 267.329 2.253 20 5 CEBDHN CN(CCOCC(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000285267393 196236500 /nfs/dbraw/zinc/23/65/00/196236500.db2.gz IHYPUGFTCHEZBL-UHFFFAOYSA-N 0 3 288.294 2.351 20 5 CEBDHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338438 196254859 /nfs/dbraw/zinc/25/48/59/196254859.db2.gz URMGKHKYQXZCMA-IVZWLZJFSA-N 0 3 267.329 2.251 20 5 CEBDHN Cc1c(CNC2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000053069478 175542489 /nfs/dbraw/zinc/54/24/89/175542489.db2.gz FKGYVTTYHBPZKY-UHFFFAOYSA-N 0 3 264.325 2.298 20 5 CEBDHN C[C@H](NC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300831 176113569 /nfs/dbraw/zinc/11/35/69/176113569.db2.gz QXUZLEXESUQWFP-TVQRCGJNSA-N 0 3 250.298 2.016 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCC[C@H]2O)c1 ZINC000077204332 177232456 /nfs/dbraw/zinc/23/24/56/177232456.db2.gz OPYZDTKBHOQJOP-GXTWGEPZSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1cnc(NC[C@H](C)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000078658809 177367410 /nfs/dbraw/zinc/36/74/10/177367410.db2.gz QWMQGABPHFYKRV-JTQLQIEISA-N 0 3 264.329 2.193 20 5 CEBDHN COCC[C@@H](COC)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832070 292631451 /nfs/dbraw/zinc/63/14/51/292631451.db2.gz LIPQAEOINFMCRE-YPMHNXCESA-N 0 3 282.340 2.297 20 5 CEBDHN COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217463 271363154 /nfs/dbraw/zinc/36/31/54/271363154.db2.gz HIZOOBCKBOWZLF-NSHDSACASA-N 0 3 280.324 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000072089524 275036857 /nfs/dbraw/zinc/03/68/57/275036857.db2.gz QGAIZUXMLLIKIJ-GFCCVEGCSA-N 0 3 279.315 2.408 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266209439 276225794 /nfs/dbraw/zinc/22/57/94/276225794.db2.gz MHKUKKRLHINCJR-STQMWFEESA-N 0 3 292.383 2.465 20 5 CEBDHN CCOC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045687059 276277750 /nfs/dbraw/zinc/27/77/50/276277750.db2.gz FSGZKVCRYJOUOR-JTQLQIEISA-N 0 3 266.297 2.199 20 5 CEBDHN CN1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375050741 277179081 /nfs/dbraw/zinc/17/90/81/277179081.db2.gz SKHCZFRBIVHJFD-JOYOIKCWSA-N 0 3 296.758 2.174 20 5 CEBDHN CO[C@]1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122860260 277778503 /nfs/dbraw/zinc/77/85/03/277778503.db2.gz XVAZGBIMWSAMSG-FZMZJTMJSA-N 0 3 280.324 2.051 20 5 CEBDHN C[C@@H](O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192866968 278391916 /nfs/dbraw/zinc/39/19/16/278391916.db2.gz SZENQXQVTKEJJC-QMTHXVAHSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@H](C[S@](C)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280399 279376420 /nfs/dbraw/zinc/37/64/20/279376420.db2.gz XGLVGDKKHRWUMV-JTBRIISXSA-N 0 3 296.392 2.329 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000262848344 280050009 /nfs/dbraw/zinc/05/00/09/280050009.db2.gz YYKYOXHTFSLKBQ-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@H](O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321040 280060473 /nfs/dbraw/zinc/06/04/73/280060473.db2.gz ZLDUMZZZAXAEEV-NWDGAFQWSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[C@@H](O)C1 ZINC000352767523 281022644 /nfs/dbraw/zinc/02/26/44/281022644.db2.gz BYZVZOKSTTWMOL-SUNKGSAMSA-N 0 3 264.325 2.277 20 5 CEBDHN C[C@H](N[C@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805632 290036270 /nfs/dbraw/zinc/03/62/70/290036270.db2.gz JQIXTIVECOKMID-XHDPSFHLSA-N 0 3 294.351 2.033 20 5 CEBDHN COC(C)(C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000531575353 298111568 /nfs/dbraw/zinc/11/15/68/298111568.db2.gz UXGULHYWDVOJLZ-UHFFFAOYSA-N 0 3 252.314 2.452 20 5 CEBDHN N[C@H]1CCCc2cn(CCc3ccc([N+](=O)[O-])cc3)nc21 ZINC000564075592 298815806 /nfs/dbraw/zinc/81/58/06/298815806.db2.gz HGTMEJMCRYAGHT-AWEZNQCLSA-N 0 3 286.335 2.370 20 5 CEBDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512619 298910276 /nfs/dbraw/zinc/91/02/76/298910276.db2.gz BCTSYEQMDGZFFD-AUSHCKSDSA-N 0 3 270.354 2.012 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(CC[C@@H]1CCOC1)C2 ZINC000527116951 313168328 /nfs/dbraw/zinc/16/83/28/313168328.db2.gz NDRHTHBXIXNBBL-GFCCVEGCSA-N 0 3 276.336 2.380 20 5 CEBDHN COCCOC[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820707 313751887 /nfs/dbraw/zinc/75/18/87/313751887.db2.gz KTVJFJHLXLJADP-RISCZKNCSA-N 0 3 294.351 2.223 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)C(F)F ZINC000577443810 314377147 /nfs/dbraw/zinc/37/71/47/314377147.db2.gz LUWLUCHIKGISAW-LDYMZIIASA-N 0 3 274.267 2.180 20 5 CEBDHN CC(C)NC(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732951 335876977 /nfs/dbraw/zinc/87/69/77/335876977.db2.gz CPLVDNSJLHQLLZ-CYBMUJFWSA-N 0 3 291.351 2.086 20 5 CEBDHN Cc1ccc(CNCC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000157360856 534055175 /nfs/dbraw/zinc/05/51/75/534055175.db2.gz MJCDDDOMRDRPFZ-UHFFFAOYSA-N 0 3 264.325 2.155 20 5 CEBDHN Cc1sc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068340802 526872378 /nfs/dbraw/zinc/87/23/78/526872378.db2.gz AFAXUYXZVQGHRJ-JTQLQIEISA-N 0 3 297.380 2.131 20 5 CEBDHN Cc1cc(NCCN2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000746392068 575155445 /nfs/dbraw/zinc/15/54/45/575155445.db2.gz RRLKOPLLBOVHFI-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN CO[C@H](C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083627 575246109 /nfs/dbraw/zinc/24/61/09/575246109.db2.gz WLJXAMWAYSVECN-IUODEOHRSA-N 0 3 296.367 2.374 20 5 CEBDHN C[C@H](CCO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000097439857 622664287 /nfs/dbraw/zinc/66/42/87/622664287.db2.gz NHWDJAHLLDVEIC-SECBINFHSA-N 0 3 272.732 2.356 20 5 CEBDHN Cc1nc(CC(C)C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103702 623021196 /nfs/dbraw/zinc/02/11/96/623021196.db2.gz FWWNYXQEBLCPFL-MRVPVSSYSA-N 0 3 286.353 2.472 20 5 CEBDHN CC(COC(=O)[C@@H]1CSc2ccccc21)[N+](=O)[O-] ZINC000813108153 623040250 /nfs/dbraw/zinc/04/02/50/623040250.db2.gz BJMNWPLMPWXFIN-WCBMZHEXSA-N 0 3 267.306 2.084 20 5 CEBDHN CC[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000096478433 623461552 /nfs/dbraw/zinc/46/15/52/623461552.db2.gz WMHZMRRMTIHYOD-GFCCVEGCSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194236 624308953 /nfs/dbraw/zinc/30/89/53/624308953.db2.gz BBEBIYISAFRADS-CABZTGNLSA-N 0 3 293.348 2.436 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C(C)(C)C)c1[N+](=O)[O-] ZINC000893329183 628335898 /nfs/dbraw/zinc/33/58/98/628335898.db2.gz BTWPJRBTJZDQMG-UHFFFAOYSA-N 0 3 254.286 2.197 20 5 CEBDHN C[C@H]([NH2+]C[C@@H]1CCCCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000902481761 634699308 /nfs/dbraw/zinc/69/93/08/634699308.db2.gz GQESKRQSRDNFKG-RYUDHWBXSA-N 0 3 293.367 2.483 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000894119910 629141943 /nfs/dbraw/zinc/14/19/43/629141943.db2.gz LZNYAMHESYRPHB-VIFPVBQESA-N 0 3 298.364 2.152 20 5 CEBDHN O=[N+]([O-])CCN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000791053845 629244620 /nfs/dbraw/zinc/24/46/20/629244620.db2.gz HZXJYMPFSPWQMZ-OCCSQVGLSA-N 0 3 264.325 2.021 20 5 CEBDHN COc1c(O)ccc(CNCCC(C)(F)F)c1[N+](=O)[O-] ZINC000894659150 629583228 /nfs/dbraw/zinc/58/32/28/629583228.db2.gz PBUFBXGRTKLSAE-UHFFFAOYSA-N 0 3 290.266 2.444 20 5 CEBDHN O=[N+]([O-])c1ccccc1NC[C@@H]1CCN1C1CCOCC1 ZINC000896515576 630586732 /nfs/dbraw/zinc/58/67/32/630586732.db2.gz FTTJXSKFTZVXKX-ZDUSSCGKSA-N 0 3 291.351 2.260 20 5 CEBDHN CC[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200589 630997411 /nfs/dbraw/zinc/99/74/11/630997411.db2.gz LTRVFOLVUMAMFU-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H](CNCc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897464067 631531627 /nfs/dbraw/zinc/53/16/27/631531627.db2.gz KBPYRRLUZGKJKC-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN C[C@@H]1CCCN1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804521183 631698200 /nfs/dbraw/zinc/69/82/00/631698200.db2.gz LHZRJDMLXPASNA-SNVBAGLBSA-N 0 3 294.311 2.399 20 5 CEBDHN Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000925305349 631759660 /nfs/dbraw/zinc/75/96/60/631759660.db2.gz BWXJHDFOMRBWEA-ZYHUDNBSSA-N 0 3 292.339 2.117 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)N(C)C ZINC000807938786 631890307 /nfs/dbraw/zinc/89/03/07/631890307.db2.gz IARZYUJMDFVOPF-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1CC(CCO)C1 ZINC000898008842 632000459 /nfs/dbraw/zinc/00/04/59/632000459.db2.gz XAPBHWPENOWOHS-UHFFFAOYSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@H](O)C1CC1 ZINC000898202285 632083652 /nfs/dbraw/zinc/08/36/52/632083652.db2.gz GVHBKWDCQIZYEF-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)C1(c2ccc(F)cc2)CCC1)[N+](=O)[O-] ZINC000813099713 632619770 /nfs/dbraw/zinc/61/97/70/632619770.db2.gz AXXCSJWICJVFSY-JTQLQIEISA-N 0 3 281.283 2.456 20 5 CEBDHN CC(COC(=O)c1ncoc1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813103858 632622281 /nfs/dbraw/zinc/62/22/81/632622281.db2.gz HFRFTOFHBNMKKA-QMMMGPOBSA-N 0 3 294.238 2.303 20 5 CEBDHN CC(COC(=O)COc1cccc2ccccc21)[N+](=O)[O-] ZINC000813106085 632623213 /nfs/dbraw/zinc/62/32/13/632623213.db2.gz YCOANURPRRJMPE-LLVKDONJSA-N 0 3 289.287 2.427 20 5 CEBDHN COc1ccc(S[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105736 632623371 /nfs/dbraw/zinc/62/33/71/632623371.db2.gz SWSUQDVFJVDUTM-ZJUUUORDSA-N 0 3 299.348 2.384 20 5 CEBDHN CC(COC(=O)C[C@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813107223 632624269 /nfs/dbraw/zinc/62/42/69/632624269.db2.gz MXHLGESUCAPWAF-WDEREUQCSA-N 0 3 279.292 2.151 20 5 CEBDHN CC(COC(=O)c1ccc(OC2CCC2)cc1)[N+](=O)[O-] ZINC000813106448 632624531 /nfs/dbraw/zinc/62/45/31/632624531.db2.gz CKBJFLSIPWWZIW-JTQLQIEISA-N 0 3 279.292 2.440 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813107222 632624853 /nfs/dbraw/zinc/62/48/53/632624853.db2.gz MXHLGESUCAPWAF-QWRGUYRKSA-N 0 3 279.292 2.151 20 5 CEBDHN COc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109336 632625994 /nfs/dbraw/zinc/62/59/94/632625994.db2.gz IJDWLOPXYBVAMU-MNOVXSKESA-N 0 3 281.308 2.082 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)C(C)(C)CO2)[N+](=O)[O-] ZINC000813109935 632626883 /nfs/dbraw/zinc/62/68/83/632626883.db2.gz XQASLNNYLLNXLT-SECBINFHSA-N 0 3 279.292 2.179 20 5 CEBDHN CC(COC(=O)c1cccc(Cl)c1F)[N+](=O)[O-] ZINC000813111617 632627372 /nfs/dbraw/zinc/62/73/72/632627372.db2.gz IXFYXKKYHRILHF-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN CCCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1CC ZINC000813112355 632627614 /nfs/dbraw/zinc/62/76/14/632627614.db2.gz FWYWVRUHHVXVME-SNVBAGLBSA-N 0 3 283.328 2.068 20 5 CEBDHN CC(COC(=O)c1cnc2ccc(F)cc2c1)[N+](=O)[O-] ZINC000813112420 632627835 /nfs/dbraw/zinc/62/78/35/632627835.db2.gz GXETWFSBVBJEPH-MRVPVSSYSA-N 0 3 278.239 2.196 20 5 CEBDHN CC(COC(=O)/C=C/c1cccc(F)c1)[N+](=O)[O-] ZINC000813113436 632628335 /nfs/dbraw/zinc/62/83/35/632628335.db2.gz PXHLIVITJOUYOA-CYNONHLPSA-N 0 3 253.229 2.047 20 5 CEBDHN CC(C)(CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000899872801 633070682 /nfs/dbraw/zinc/07/06/82/633070682.db2.gz FLDZANHBFUXDNS-UHFFFAOYSA-N 0 3 256.733 2.484 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1C ZINC000900010808 633176263 /nfs/dbraw/zinc/17/62/63/633176263.db2.gz DTLSSOPNUAGNQF-UHFFFAOYSA-N 0 3 291.351 2.037 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903298987 635046165 /nfs/dbraw/zinc/04/61/65/635046165.db2.gz BIPLLKXDCJJJAH-UXIGCNINSA-N 0 3 294.351 2.358 20 5 CEBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168616221 639573894 /nfs/dbraw/zinc/57/38/94/639573894.db2.gz NTCKWZGFBOAYET-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN C[C@H](O)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227721319 639602515 /nfs/dbraw/zinc/60/25/15/639602515.db2.gz FSIPUUPEYSFICU-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN CC(COC(=O)Cc1cccc(C2CC2)c1)[N+](=O)[O-] ZINC000842362838 640029487 /nfs/dbraw/zinc/02/94/87/640029487.db2.gz ADVYBDDYSHNJCB-JTQLQIEISA-N 0 3 263.293 2.315 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCC[C@H]1C1CC1)[N+](=O)[O-] ZINC000842801514 640187436 /nfs/dbraw/zinc/18/74/36/640187436.db2.gz JNVNEJIKGHLBRO-ADEWGFFLSA-N 0 3 255.314 2.411 20 5 CEBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000844403215 640709380 /nfs/dbraw/zinc/70/93/80/640709380.db2.gz DUJQIRNKVHHNBW-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000844403214 640709843 /nfs/dbraw/zinc/70/98/43/640709843.db2.gz DUJQIRNKVHHNBW-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844469765 640740585 /nfs/dbraw/zinc/74/05/85/640740585.db2.gz DZTLNDDMDYUGBM-CHWSQXEVSA-N 0 3 298.289 2.359 20 5 CEBDHN CN1CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440087 642323223 /nfs/dbraw/zinc/32/32/23/642323223.db2.gz OBGPTNXOUJDPEV-LLVKDONJSA-N 0 3 269.732 2.042 20 5 CEBDHN CC(COC(=O)C1CCC(C2CC2)CC1)[N+](=O)[O-] ZINC000851036533 642890288 /nfs/dbraw/zinc/89/02/88/642890288.db2.gz JXYZPWMUJZWPDG-OIKLOGQESA-N 0 3 255.314 2.411 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(CO)CC1 ZINC000080247344 642951020 /nfs/dbraw/zinc/95/10/20/642951020.db2.gz HGPJYFMNDUYZPK-UHFFFAOYSA-N 0 3 270.716 2.110 20 5 CEBDHN C[C@H](NC[C@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899166 643215389 /nfs/dbraw/zinc/21/53/89/643215389.db2.gz YSICFBZSHPIUPP-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN CC(COC(=O)COCc1cccc(Cl)c1)[N+](=O)[O-] ZINC000838964324 644098635 /nfs/dbraw/zinc/09/86/35/644098635.db2.gz HPVUZHLCAYZKFI-VIFPVBQESA-N 0 3 287.699 2.065 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC(CC3CC3)C2)cc1 ZINC000857212862 644849781 /nfs/dbraw/zinc/84/97/81/644849781.db2.gz ZEXORXSPPNVNNP-OAHLLOKOSA-N 0 3 276.336 2.360 20 5 CEBDHN CC1=CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594192 647076470 /nfs/dbraw/zinc/07/64/70/647076470.db2.gz YGWKSJNYFRNHRL-AWEZNQCLSA-N 0 3 262.309 2.280 20 5 CEBDHN O=C(CCN1CC=CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782530759 647634553 /nfs/dbraw/zinc/63/45/53/647634553.db2.gz IQQYSEGKINVNKJ-UHFFFAOYSA-N 0 3 293.298 2.324 20 5 CEBDHN C[C@@H](NCC1(N(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080844 649266883 /nfs/dbraw/zinc/26/68/83/649266883.db2.gz SSBRPJUAGALJFP-SNVBAGLBSA-N 0 3 281.331 2.479 20 5 CEBDHN CO[C@H]1CC[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879322824 651285417 /nfs/dbraw/zinc/28/54/17/651285417.db2.gz YGUVLTDNSAZECC-DOMZBBRYSA-N 0 3 294.351 2.473 20 5 CEBDHN CC1(F)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879382913 651295273 /nfs/dbraw/zinc/29/52/73/651295273.db2.gz ULEDYKVUWTYNGR-CYBMUJFWSA-N 0 3 282.315 2.452 20 5 CEBDHN Cc1ccc(CN2[C@H](C)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000880435440 651440548 /nfs/dbraw/zinc/44/05/48/651440548.db2.gz OMGQEZAEWGQTNP-DGCLKSJQSA-N 0 3 264.325 2.248 20 5 CEBDHN CCN1CC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000882960935 652292256 /nfs/dbraw/zinc/29/22/56/652292256.db2.gz ZTPOFYMBRYWCLG-NSHDSACASA-N 0 3 287.323 2.044 20 5 CEBDHN CC[C@@H](O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135037668 802734086 /nfs/dbraw/zinc/73/40/86/802734086.db2.gz MVWGFLMQQWOQRQ-LLVKDONJSA-N 0 3 272.732 2.499 20 5 CEBDHN CN1CC(CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000709858507 804652679 /nfs/dbraw/zinc/65/26/79/804652679.db2.gz XOCUIPPTCOXUCF-UHFFFAOYSA-N 0 3 272.308 2.117 20 5 CEBDHN COc1cc(O[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC001225435555 804879872 /nfs/dbraw/zinc/87/98/72/804879872.db2.gz IIJPYTHZXLSZGM-NSHDSACASA-N 0 3 266.297 2.076 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000702054258 809491123 /nfs/dbraw/zinc/49/11/23/809491123.db2.gz SOWBMFCAAWODON-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1(C)COC1 ZINC000702980155 809606383 /nfs/dbraw/zinc/60/63/83/809606383.db2.gz JDKQWNNYWYRCGT-UHFFFAOYSA-N 0 3 268.288 2.202 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[C@@H](CO)C1 ZINC000707492589 809913573 /nfs/dbraw/zinc/91/35/73/809913573.db2.gz KSDYEDVHXWOOKU-DKTWLAJQSA-N 0 3 270.716 2.109 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCOC2CCC2)cc1 ZINC000709841586 809973163 /nfs/dbraw/zinc/97/31/63/809973163.db2.gz RTLJGQCDUCASCL-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037001 811347109 /nfs/dbraw/zinc/34/71/09/811347109.db2.gz HWAJQVUCTQSSOM-NXEZZACHSA-N 0 3 292.351 2.258 20 5 CEBDHN COc1cc(-n2ccc([C@H](C)N)n2)cc([N+](=O)[O-])c1C ZINC001169232751 811448531 /nfs/dbraw/zinc/44/85/31/811448531.db2.gz KAYNFRJXHZAKPU-VIFPVBQESA-N 0 3 276.296 2.117 20 5 CEBDHN CN1CC(CNc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001170254489 812374316 /nfs/dbraw/zinc/37/43/16/812374316.db2.gz NDMYFEFRSYEFMW-UHFFFAOYSA-N 0 3 260.297 2.050 20 5 CEBDHN COc1ccc(C[C@H](C)N2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336193 812390993 /nfs/dbraw/zinc/39/09/93/812390993.db2.gz VQXRJHQXKLOGGX-SMDDNHRTSA-N 0 3 294.351 2.255 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000754080066 814117429 /nfs/dbraw/zinc/11/74/29/814117429.db2.gz PWLISXLDVOYNPF-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN CCN1CC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712605240 814756138 /nfs/dbraw/zinc/75/61/38/814756138.db2.gz LNEAQWZTLGCTKV-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnccn1 ZINC001173213603 815637147 /nfs/dbraw/zinc/63/71/47/815637147.db2.gz JCWLDQPAIMRKPQ-NSHDSACASA-N 0 3 272.308 2.106 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCOCC1 ZINC001177337586 816549314 /nfs/dbraw/zinc/54/93/14/816549314.db2.gz IUWNVHICBPMSGW-UHFFFAOYSA-N 0 3 280.324 2.262 20 5 CEBDHN CC[C@@H](N[C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601290754 346814034 /nfs/dbraw/zinc/81/40/34/346814034.db2.gz BYXIIAONZWWIBR-SCDSUCTJSA-N 0 3 264.325 2.406 20 5 CEBDHN CCC[C@@](C)(N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766567 361932406 /nfs/dbraw/zinc/93/24/06/361932406.db2.gz JALXYDDMDIHGNN-IINYFYTJSA-N 0 3 279.340 2.290 20 5 CEBDHN CCCC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766562 361932964 /nfs/dbraw/zinc/93/29/64/361932964.db2.gz IBZFGDZHDUGURI-GWCFXTLKSA-N 0 3 279.340 2.290 20 5 CEBDHN CC(C)C[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000040776467 361998444 /nfs/dbraw/zinc/99/84/44/361998444.db2.gz GPSPFQBCKRZRAT-JTQLQIEISA-N 0 3 258.343 2.153 20 5 CEBDHN Cc1ccc([C@@H](C)NCCn2ccnc2)cc1[N+](=O)[O-] ZINC000041119370 362020316 /nfs/dbraw/zinc/02/03/16/362020316.db2.gz GMWYRGQIGRAYPN-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@@H](NCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000041119436 362020462 /nfs/dbraw/zinc/02/04/62/362020462.db2.gz UWVIUMPRQAGJPY-LLVKDONJSA-N 0 3 260.297 2.142 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC2(CF)CCOCC2)c1 ZINC000449484280 282254224 /nfs/dbraw/zinc/25/42/24/282254224.db2.gz FXIAFFWLLUPPNR-UHFFFAOYSA-N 0 3 282.315 2.451 20 5 CEBDHN COC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051155386 343548669 /nfs/dbraw/zinc/54/86/69/343548669.db2.gz GQWRFTNLAYRCHL-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973367 346947029 /nfs/dbraw/zinc/94/70/29/346947029.db2.gz LQXYMBWESGTSFV-WCFLWFBJSA-N 0 3 262.309 2.234 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000057159547 343625921 /nfs/dbraw/zinc/62/59/21/343625921.db2.gz HDHNEZMMXIUYFO-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CC(C)N(CCC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349969 343688790 /nfs/dbraw/zinc/68/87/90/343688790.db2.gz OLDAENSRKBHYBQ-UHFFFAOYSA-N 0 3 293.367 2.284 20 5 CEBDHN COCCN1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000068911115 343777133 /nfs/dbraw/zinc/77/71/33/343777133.db2.gz IOHMGXYYLLYORM-LBPRGKRZSA-N 0 3 297.330 2.257 20 5 CEBDHN Cc1cnc(N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078632028 343959322 /nfs/dbraw/zinc/95/93/22/343959322.db2.gz BCQFYYFIMMOJPV-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000049800136 362373968 /nfs/dbraw/zinc/37/39/68/362373968.db2.gz WEYGBOYGNDAFBC-UHFFFAOYSA-N 0 3 252.314 2.189 20 5 CEBDHN C[C@H](CO)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000121267110 344302185 /nfs/dbraw/zinc/30/21/85/344302185.db2.gz ZIRQJUOMPKKTTA-NSHDSACASA-N 0 3 264.325 2.188 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)c1 ZINC000133773460 344370250 /nfs/dbraw/zinc/37/02/50/344370250.db2.gz QQSAJZNXDOEJJJ-LLVKDONJSA-N 0 3 279.340 2.357 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475381 347049669 /nfs/dbraw/zinc/04/96/69/347049669.db2.gz VOOGZUQBYRSKDB-MNOVXSKESA-N 0 3 266.345 2.339 20 5 CEBDHN COc1cccc(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000134914092 344378846 /nfs/dbraw/zinc/37/88/46/344378846.db2.gz XHEHMWZWMJHHFZ-LLVKDONJSA-N 0 3 279.340 2.357 20 5 CEBDHN COC1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000161558713 344464828 /nfs/dbraw/zinc/46/48/28/344464828.db2.gz COXWWNDTOCFSLA-GFCCVEGCSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@@H]1C[C@H](C)CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602483763 347055360 /nfs/dbraw/zinc/05/53/60/347055360.db2.gz LCZFKEOLPPTPQR-GHMZBOCLSA-N 0 3 266.345 2.196 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](O)C1CCC1 ZINC000449742341 282349191 /nfs/dbraw/zinc/34/91/91/282349191.db2.gz YYNZNPZWPCGTDQ-SGJXGLNRSA-N 0 3 276.336 2.359 20 5 CEBDHN Cc1c(CNC[C@@H](O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000307950163 344725778 /nfs/dbraw/zinc/72/57/78/344725778.db2.gz RXNZIHFBUHUFFB-JTQLQIEISA-N 0 3 292.257 2.306 20 5 CEBDHN Cn1c(CNCCn2cc([N+](=O)[O-])cn2)cc2ccccc21 ZINC000602567704 347081858 /nfs/dbraw/zinc/08/18/58/347081858.db2.gz GCCGLXIXJXCKHV-UHFFFAOYSA-N 0 3 299.334 2.073 20 5 CEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273241096 192084208 /nfs/dbraw/zinc/08/42/08/192084208.db2.gz YTBLSTJQWNTQEJ-CYBMUJFWSA-N 0 3 287.323 2.100 20 5 CEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000056494959 362560985 /nfs/dbraw/zinc/56/09/85/362560985.db2.gz GNDOXKZBGJLBGB-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN CC1(C)CCCN1CCNc1cccnc1[N+](=O)[O-] ZINC000590738463 345171676 /nfs/dbraw/zinc/17/16/76/345171676.db2.gz OPGLAMIVERYOFY-UHFFFAOYSA-N 0 3 264.329 2.276 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCNC1=O ZINC000591243843 345233714 /nfs/dbraw/zinc/23/37/14/345233714.db2.gz BSMCEZPKYDTASC-VXGBXAGGSA-N 0 3 291.351 2.080 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CO)CCF)CCC2 ZINC000593718697 345526469 /nfs/dbraw/zinc/52/64/69/345526469.db2.gz PCNHBTMGSKZQES-FZMZJTMJSA-N 0 3 282.315 2.282 20 5 CEBDHN CC[C@@H](N[C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719351 345527158 /nfs/dbraw/zinc/52/71/58/345527158.db2.gz WWUMDBUJEPHPIB-WCQYABFASA-N 0 3 270.304 2.356 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCCC[C@@H]1CO ZINC000594014354 345565996 /nfs/dbraw/zinc/56/59/96/345565996.db2.gz BLOLJMZVKOLAHF-CYBMUJFWSA-N 0 3 294.351 2.211 20 5 CEBDHN CCC[C@H](NC[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514455 345641609 /nfs/dbraw/zinc/64/16/09/345641609.db2.gz YEOVTNGXYPERHZ-GJZGRUSLSA-N 0 3 296.367 2.423 20 5 CEBDHN CCN1CCN([C@@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000059389295 362648552 /nfs/dbraw/zinc/64/85/52/362648552.db2.gz VFHBFEISBSRPFG-ZDUSSCGKSA-N 0 3 292.383 2.033 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2cc3n(n2)CCC3)c1 ZINC000594939939 345710686 /nfs/dbraw/zinc/71/06/86/345710686.db2.gz WQHVJVUUEQJVQP-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC(O)(C2CC2)C2CC2)c(F)c1 ZINC000594982381 345721496 /nfs/dbraw/zinc/72/14/96/345721496.db2.gz DMBUQXVTQCRKAS-UHFFFAOYSA-N 0 3 294.326 2.375 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)CC2CC2)c1 ZINC000594982822 345721540 /nfs/dbraw/zinc/72/15/40/345721540.db2.gz IHGZARPTMLWCOJ-ZDUSSCGKSA-N 0 3 264.325 2.093 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000594987459 345722061 /nfs/dbraw/zinc/72/20/61/345722061.db2.gz KMQLWZHEADCTRM-ZIAGYGMSSA-N 0 3 276.336 2.296 20 5 CEBDHN Cc1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988543 345722623 /nfs/dbraw/zinc/72/26/23/345722623.db2.gz QJFAFSGEMYGUDV-UONOGXRCSA-N 0 3 276.336 2.296 20 5 CEBDHN CC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006933 345725662 /nfs/dbraw/zinc/72/56/62/345725662.db2.gz MXSWBEDTMFFOFT-VHSXEESVSA-N 0 3 268.313 2.025 20 5 CEBDHN CC[C@@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020801 345728980 /nfs/dbraw/zinc/72/89/80/345728980.db2.gz NTDYMVLQEDZGJW-ZYHUDNBSSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC1(CO)CC1 ZINC000595050715 345734751 /nfs/dbraw/zinc/73/47/51/345734751.db2.gz JOLHHXHSNHBUJM-NSHDSACASA-N 0 3 294.351 2.417 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC/C=C\CO)CCC2 ZINC000595066078 345738084 /nfs/dbraw/zinc/73/80/84/345738084.db2.gz BUOLAALJYXZRCX-DDGIKZQJSA-N 0 3 262.309 2.110 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC(C3CCC3)CC2)c1 ZINC000595657739 345840360 /nfs/dbraw/zinc/84/03/60/345840360.db2.gz BOFYLDZIGDTPPS-UHFFFAOYSA-N 0 3 278.356 2.303 20 5 CEBDHN Cc1c(CN[C@@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776406 345873959 /nfs/dbraw/zinc/87/39/59/345873959.db2.gz AWXYJZRJIRFBIX-ZIAGYGMSSA-N 0 3 276.336 2.296 20 5 CEBDHN O=[N+]([O-])c1cncc(Cl)c1NC1CCN(C2CC2)CC1 ZINC000596065776 345931483 /nfs/dbraw/zinc/93/14/83/345931483.db2.gz KBEPEBWHOSXAKF-UHFFFAOYSA-N 0 3 296.758 2.104 20 5 CEBDHN Cc1cc(N(C)CCN2CCCC2)c([N+](=O)[O-])s1 ZINC000596112773 345942777 /nfs/dbraw/zinc/94/27/77/345942777.db2.gz VSUGFGLIANKVOU-UHFFFAOYSA-N 0 3 269.370 2.497 20 5 CEBDHN CN1CCN(c2ccc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000596251719 345980886 /nfs/dbraw/zinc/98/08/86/345980886.db2.gz XKGUUJPOMCOTFA-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN C[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000596194750 345966811 /nfs/dbraw/zinc/96/68/11/345966811.db2.gz PUNALCNKGXJICZ-NSHDSACASA-N 0 3 294.355 2.372 20 5 CEBDHN CCc1nn(C)c(N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596336403 346002399 /nfs/dbraw/zinc/00/23/99/346002399.db2.gz PAOVXYDWMGNQAX-SNVBAGLBSA-N 0 3 295.387 2.175 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597237060 346157944 /nfs/dbraw/zinc/15/79/44/346157944.db2.gz WIOMLMSYTJLQER-DOMZBBRYSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1c(CN2CC[C@@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598645918 346391388 /nfs/dbraw/zinc/39/13/88/346391388.db2.gz QKGVQDSEPDVHND-BXUZGUMPSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644995 346391479 /nfs/dbraw/zinc/39/14/79/346391479.db2.gz CMHPRKPJTKUYPF-WCQYABFASA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1ccc(CNCCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599022465 346447399 /nfs/dbraw/zinc/44/73/99/346447399.db2.gz LCWQPTISCOUOGX-UHFFFAOYSA-N 0 3 287.310 2.190 20 5 CEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2CC[C@H]1C2 ZINC000599082621 346457269 /nfs/dbraw/zinc/45/72/69/346457269.db2.gz DZFCGIPIAVPWMN-LBPRGKRZSA-N 0 3 284.319 2.037 20 5 CEBDHN C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000599110539 346461210 /nfs/dbraw/zinc/46/12/10/346461210.db2.gz WLNOSDULBRTLBA-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCCC2)cn1 ZINC000599164729 346470642 /nfs/dbraw/zinc/47/06/42/346470642.db2.gz KZVPEJJPCWYMHH-ZDUSSCGKSA-N 0 3 276.340 2.419 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CCN1C1CCCC1 ZINC000599165740 346471300 /nfs/dbraw/zinc/47/13/00/346471300.db2.gz RTOVYTZMOWBOPW-LBPRGKRZSA-N 0 3 276.340 2.419 20 5 CEBDHN C[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000601127228 346761701 /nfs/dbraw/zinc/76/17/01/346761701.db2.gz CJXWFJDEZMKLPY-WPRPVWTQSA-N 0 3 280.303 2.166 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)c2ncccc12 ZINC000601194344 346783394 /nfs/dbraw/zinc/78/33/94/346783394.db2.gz ZCGJUTARWQEJFG-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635645 347116155 /nfs/dbraw/zinc/11/61/55/347116155.db2.gz AULVEXLDAJDTQW-DTWKUNHWSA-N 0 3 292.364 2.455 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(F)F)CC1 ZINC000602784681 347197214 /nfs/dbraw/zinc/19/72/14/347197214.db2.gz IZJJGUXCGCQJLS-UHFFFAOYSA-N 0 3 288.298 2.077 20 5 CEBDHN C[C@@H]1CC[C@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810784 347209121 /nfs/dbraw/zinc/20/91/21/347209121.db2.gz JCRMVAHKEQNNEQ-SCVCMEIPSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1[nH]ncc1CN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000602935929 347251394 /nfs/dbraw/zinc/25/13/94/347251394.db2.gz BVQZKXNQZUDAQD-UHFFFAOYSA-N 0 3 278.287 2.397 20 5 CEBDHN C[C@](CO)(NCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000602962884 347258256 /nfs/dbraw/zinc/25/82/56/347258256.db2.gz PXWANVVRKZGFIR-CQSZACIVSA-N 0 3 264.325 2.192 20 5 CEBDHN C[C@@](CO)(NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962517 347258312 /nfs/dbraw/zinc/25/83/12/347258312.db2.gz LNZHFBHXIKHACH-AWEZNQCLSA-N 0 3 264.325 2.192 20 5 CEBDHN C[C@@H](O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000086014153 179215265 /nfs/dbraw/zinc/21/52/65/179215265.db2.gz SJUPGYWOMWRLGU-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN CCCNC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129929547 365908685 /nfs/dbraw/zinc/90/86/85/365908685.db2.gz FIEKMANKWOCDSC-LBPRGKRZSA-N 0 3 293.367 2.470 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000611084707 347737848 /nfs/dbraw/zinc/73/78/48/347737848.db2.gz LSCDSZGGGRDEEO-LLVKDONJSA-N 0 3 279.340 2.134 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092217 347738788 /nfs/dbraw/zinc/73/87/88/347738788.db2.gz LSZBKZAKUYMKFY-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN CCN1C[C@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221670 347753455 /nfs/dbraw/zinc/75/34/55/347753455.db2.gz MEXBFGHZRKZXCA-NEPJUHHUSA-N 0 3 278.356 2.217 20 5 CEBDHN Cc1n[nH]cc1[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000611520891 347790186 /nfs/dbraw/zinc/79/01/86/347790186.db2.gz UKXVCZNRYUIWPN-JTQLQIEISA-N 0 3 290.323 2.356 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000612404361 347880692 /nfs/dbraw/zinc/88/06/92/347880692.db2.gz KGKRICYXEBFIGQ-KCQAQPDRSA-N 0 3 276.336 2.106 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(CC2CC2)C1 ZINC000619480698 349187504 /nfs/dbraw/zinc/18/75/04/349187504.db2.gz MQSAVQRJZVJGGC-GFCCVEGCSA-N 0 3 293.371 2.016 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339622949 215272078 /nfs/dbraw/zinc/27/20/78/215272078.db2.gz QVTMBKPBOGYVCV-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CN1CCCCC1 ZINC000091556645 180190984 /nfs/dbraw/zinc/19/09/84/180190984.db2.gz GZZMDPVTROHUCG-LLVKDONJSA-N 0 3 295.387 2.406 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000107692082 186186314 /nfs/dbraw/zinc/18/63/14/186186314.db2.gz KZXQAXYIGZQTSN-GFCCVEGCSA-N 0 3 264.325 2.453 20 5 CEBDHN COCC(C)(C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000292268736 198224945 /nfs/dbraw/zinc/22/49/45/198224945.db2.gz ZHXVQMXLEIKALH-UHFFFAOYSA-N 0 3 252.314 2.452 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423849 188017267 /nfs/dbraw/zinc/01/72/67/188017267.db2.gz CQFPOUWEWFEZNJ-RYUDHWBXSA-N 0 3 291.351 2.175 20 5 CEBDHN C[C@H](c1cccc(O)c1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157974839 188350586 /nfs/dbraw/zinc/35/05/86/188350586.db2.gz QGZABZUXQBYVNB-LLVKDONJSA-N 0 3 290.323 2.190 20 5 CEBDHN C[C@@H](NCCC1OCCCO1)c1ccccc1[N+](=O)[O-] ZINC000271714756 191288456 /nfs/dbraw/zinc/28/84/56/191288456.db2.gz JRIRLTWDFLDLSH-LLVKDONJSA-N 0 3 280.324 2.399 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC12CCCC2 ZINC000451457835 282995952 /nfs/dbraw/zinc/99/59/52/282995952.db2.gz NTMXPPTWGOOCTK-NSHDSACASA-N 0 3 264.329 2.141 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451634589 283058915 /nfs/dbraw/zinc/05/89/15/283058915.db2.gz RVZDIDYOSZYQAJ-TYNCELHUSA-N 0 3 275.352 2.292 20 5 CEBDHN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272129784 191530414 /nfs/dbraw/zinc/53/04/14/191530414.db2.gz RXGWGBLZKCWNQC-JQWIXIFHSA-N 0 3 279.340 2.112 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](CCCO)C2)c1 ZINC000452137276 283201100 /nfs/dbraw/zinc/20/11/00/283201100.db2.gz ZVMGJQJJGLEJKR-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN CC(C)[C@H](O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913626 366373292 /nfs/dbraw/zinc/37/32/92/366373292.db2.gz SZBLCTNJFUYRPY-GFCCVEGCSA-N 0 3 272.732 2.355 20 5 CEBDHN COc1ccc(CNCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000294687815 199134023 /nfs/dbraw/zinc/13/40/23/199134023.db2.gz CBJWRHFKFCUXHV-UHFFFAOYSA-N 0 3 282.340 2.102 20 5 CEBDHN C[C@H]1CCC[C@H](CO)N1Cc1cccc([N+](=O)[O-])c1 ZINC000136166217 366500093 /nfs/dbraw/zinc/50/00/93/366500093.db2.gz GMMTWNLWFKGLKV-SMDDNHRTSA-N 0 3 264.325 2.330 20 5 CEBDHN CSCC[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668479 366531566 /nfs/dbraw/zinc/53/15/66/366531566.db2.gz DRNXINWKSIDXTK-GXFFZTMASA-N 0 3 296.392 2.286 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000297040882 200068832 /nfs/dbraw/zinc/06/88/32/200068832.db2.gz VFBWCMGYTZBQLM-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)N1CCCC[C@H]1C ZINC000341931414 216156573 /nfs/dbraw/zinc/15/65/73/216156573.db2.gz LCTMUAOWYHSWBR-CHWSQXEVSA-N 0 3 292.383 2.395 20 5 CEBDHN CCOC[C@H](O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712053 189139302 /nfs/dbraw/zinc/13/93/02/189139302.db2.gz CELZMXYPTIIRHR-KGLIPLIRSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340257462 366820862 /nfs/dbraw/zinc/82/08/62/366820862.db2.gz XTRHBQUXDGWDHD-NSHDSACASA-N 0 3 292.339 2.153 20 5 CEBDHN CCN1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000020054293 361576121 /nfs/dbraw/zinc/57/61/21/361576121.db2.gz DYIICQCMBYJTCX-ZDUSSCGKSA-N 0 3 263.341 2.169 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](O)C1CC1 ZINC000084440160 363811290 /nfs/dbraw/zinc/81/12/90/363811290.db2.gz QJSOSFOPUIVWQK-GFCCVEGCSA-N 0 3 270.716 2.109 20 5 CEBDHN Cc1c(CNCc2c[nH]c3nccnc23)cccc1[N+](=O)[O-] ZINC000356406502 370697234 /nfs/dbraw/zinc/69/72/34/370697234.db2.gz MRPUUHIFLBCZPB-UHFFFAOYSA-N 0 3 297.318 2.416 20 5 CEBDHN CCN1CCC[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771760 364293800 /nfs/dbraw/zinc/29/38/00/364293800.db2.gz MJUGOWTXVHXICW-SNVBAGLBSA-N 0 3 289.339 2.367 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000103955920 364671952 /nfs/dbraw/zinc/67/19/52/364671952.db2.gz XKOISBSHHJWRRB-GFCCVEGCSA-N 0 3 250.298 2.172 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114681 364773817 /nfs/dbraw/zinc/77/38/17/364773817.db2.gz ICNYSCGQLFAFLM-JTQLQIEISA-N 0 3 297.742 2.072 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000112309816 364789568 /nfs/dbraw/zinc/78/95/68/364789568.db2.gz UWHRSXKLXWTGIX-UHFFFAOYSA-N 0 3 285.369 2.118 20 5 CEBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000114724188 364961074 /nfs/dbraw/zinc/96/10/74/364961074.db2.gz FYOWZXAYDCZCBD-UHFFFAOYSA-N 0 3 291.351 2.316 20 5 CEBDHN COc1ccc(CN2CCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000159210676 366889432 /nfs/dbraw/zinc/88/94/32/366889432.db2.gz GYIDNWCYJYTERA-DGCLKSJQSA-N 0 3 294.351 2.339 20 5 CEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341204051 367220293 /nfs/dbraw/zinc/22/02/93/367220293.db2.gz OZDGQHZCVBYSMF-PWSUYJOCSA-N 0 3 292.339 2.199 20 5 CEBDHN C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000341207511 367221875 /nfs/dbraw/zinc/22/18/75/367221875.db2.gz TWKZOVBKVAMQFQ-CMPLNLGQSA-N 0 3 292.339 2.199 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000343245253 367722735 /nfs/dbraw/zinc/72/27/35/367722735.db2.gz BZDKGOOQORRZRJ-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434463 367910881 /nfs/dbraw/zinc/91/08/81/367910881.db2.gz VWXAZTKPCFETHT-OPQQBVKSSA-N 0 3 284.381 2.358 20 5 CEBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCCO)CC2)cc1 ZINC000174247672 368002083 /nfs/dbraw/zinc/00/20/83/368002083.db2.gz GZDDFNRKQGYOAW-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN C/C=C/C[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000185809999 368865315 /nfs/dbraw/zinc/86/53/15/368865315.db2.gz FCVPMIARAWIOHI-OOPCZODUSA-N 0 3 264.325 2.320 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CCC2)c1 ZINC000276067120 193203602 /nfs/dbraw/zinc/20/36/02/193203602.db2.gz VTSMVQRYSSEZNS-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C/C=C\C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000349793894 369403257 /nfs/dbraw/zinc/40/32/57/369403257.db2.gz YAAUKICCFFCQLO-SCOBNMCVSA-N 0 3 264.325 2.320 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000246435989 370961336 /nfs/dbraw/zinc/96/13/36/370961336.db2.gz IOVVWMFXELHFLP-TZMCWYRMSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1cc(CN[C@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000352708730 369848318 /nfs/dbraw/zinc/84/83/18/369848318.db2.gz XMDRGIXCXHAUDY-CYBMUJFWSA-N 0 3 294.351 2.244 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000192793024 369854716 /nfs/dbraw/zinc/85/47/16/369854716.db2.gz UXWXQIQKADCQDS-GFCCVEGCSA-N 0 3 278.356 2.463 20 5 CEBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000354043253 370192690 /nfs/dbraw/zinc/19/26/90/370192690.db2.gz XQGGRLZCAGDEOF-NSHDSACASA-N 0 3 266.345 2.159 20 5 CEBDHN CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2)[C@H]2CCO[C@H]21 ZINC000227072636 370357017 /nfs/dbraw/zinc/35/70/17/370357017.db2.gz IVHZFXPYTKOKMX-MGPQQGTHSA-N 0 3 276.336 2.498 20 5 CEBDHN C[C@@H](O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228031082 370393098 /nfs/dbraw/zinc/39/30/98/370393098.db2.gz SMDOBAWHUZSKBG-MNOVXSKESA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](NCCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000230898805 370468731 /nfs/dbraw/zinc/46/87/31/370468731.db2.gz LGJNKFUNZUXDFB-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccccc1[N+](=O)[O-] ZINC000235449795 370566132 /nfs/dbraw/zinc/56/61/32/370566132.db2.gz BDHDCBLTQNXMES-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1c([C@H](C)N[C@@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000248502997 371203027 /nfs/dbraw/zinc/20/30/27/371203027.db2.gz UQPBCDLSYGIUIA-MQYCPVHVSA-N 0 3 284.381 2.321 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(OCCN2CCCCC2)n1 ZINC000358838390 371243251 /nfs/dbraw/zinc/24/32/51/371243251.db2.gz DMXIJSOYNGJXIF-UHFFFAOYSA-N 0 3 279.340 2.471 20 5 CEBDHN CCC[C@](C)(N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261596708 371670229 /nfs/dbraw/zinc/67/02/29/371670229.db2.gz NTYYTTVFHIACNE-ZDUSSCGKSA-N 0 3 281.312 2.059 20 5 CEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000267221147 372061129 /nfs/dbraw/zinc/06/11/29/372061129.db2.gz NVUTWIDPBIJUID-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN Cc1nc(N(C)C[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000268512140 372124420 /nfs/dbraw/zinc/12/44/20/372124420.db2.gz SDDKSSCYFXVFGV-LBPRGKRZSA-N 0 3 278.356 2.076 20 5 CEBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000269631397 372512411 /nfs/dbraw/zinc/51/24/11/372512411.db2.gz FLZSDKWGCHGAJF-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269648053 372517005 /nfs/dbraw/zinc/51/70/05/372517005.db2.gz FKOVFXXODWGJRS-CYBMUJFWSA-N 0 3 250.298 2.113 20 5 CEBDHN C[C@H](O)C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000269784456 372563611 /nfs/dbraw/zinc/56/36/11/372563611.db2.gz HNWKQUIRXDAJOA-STQMWFEESA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H](O)C2(CC2)C1 ZINC000368409860 373237074 /nfs/dbraw/zinc/23/70/74/373237074.db2.gz HTCDWKYIPOWRPO-RISCZKNCSA-N 0 3 276.336 2.421 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCCCCC[C@@H]32)c1 ZINC000369454422 373422337 /nfs/dbraw/zinc/42/23/37/373422337.db2.gz ZZPMUAMFLQXUMQ-OCCSQVGLSA-N 0 3 278.356 2.446 20 5 CEBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000274064350 373799167 /nfs/dbraw/zinc/79/91/67/373799167.db2.gz PDFDPFMGKIZCNP-JTQLQIEISA-N 0 3 276.296 2.048 20 5 CEBDHN CCCN(CCO)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276917604 374347111 /nfs/dbraw/zinc/34/71/11/374347111.db2.gz OPFGPUIZZMTMBM-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN Cc1ccc(N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000376487943 374707228 /nfs/dbraw/zinc/70/72/28/374707228.db2.gz ZIXKROWDRCJMFM-SWLSCSKDSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1ccc(CN2CCCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000377234810 374818566 /nfs/dbraw/zinc/81/85/66/374818566.db2.gz AWJDQEFLQLQLFG-CQSZACIVSA-N 0 3 278.352 2.498 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccnc(N)c1 ZINC000282461884 375491585 /nfs/dbraw/zinc/49/15/85/375491585.db2.gz MXEYJKADDWKLQT-UHFFFAOYSA-N 0 3 286.335 2.247 20 5 CEBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414531714 375839489 /nfs/dbraw/zinc/83/94/89/375839489.db2.gz SCPCZIABWACTDU-IUODEOHRSA-N 0 3 296.367 2.489 20 5 CEBDHN CC(=O)c1cc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000286457824 375959333 /nfs/dbraw/zinc/95/93/33/375959333.db2.gz SENGEVMBMIKDJN-UHFFFAOYSA-N 0 3 277.324 2.305 20 5 CEBDHN CC(=O)c1cc(N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000286397324 375939234 /nfs/dbraw/zinc/93/92/34/375939234.db2.gz LJTASPUVLCVIGD-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cccc([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000286713784 376043397 /nfs/dbraw/zinc/04/33/97/376043397.db2.gz WXRMAKBYHSGCNW-YERCRUGSSA-N 0 3 288.347 2.450 20 5 CEBDHN CC(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419004374 376377154 /nfs/dbraw/zinc/37/71/54/376377154.db2.gz OFDORPUFOPNKNG-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN C[C@H](O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264701812 190129961 /nfs/dbraw/zinc/12/99/61/190129961.db2.gz IFWZCVAURHETIG-LBPRGKRZSA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331124926 377291322 /nfs/dbraw/zinc/29/13/22/377291322.db2.gz OJOFCTSYKROBNA-GHMZBOCLSA-N 0 3 266.345 2.387 20 5 CEBDHN COCCOC[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820706 377297756 /nfs/dbraw/zinc/29/77/56/377297756.db2.gz KTVJFJHLXLJADP-FZMZJTMJSA-N 0 3 294.351 2.223 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2nnc[nH]2)C1 ZINC000425551294 377371930 /nfs/dbraw/zinc/37/19/30/377371930.db2.gz QJKHPTWHSPIMEG-MNOVXSKESA-N 0 3 287.323 2.263 20 5 CEBDHN Cc1ccnc(N[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000265157666 190161780 /nfs/dbraw/zinc/16/17/80/190161780.db2.gz DARDXOSRDMLDPM-LLVKDONJSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000565198832 377601839 /nfs/dbraw/zinc/60/18/39/377601839.db2.gz HPGANTNPWFAHJO-NEPJUHHUSA-N 0 3 291.351 2.114 20 5 CEBDHN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000265974404 190219814 /nfs/dbraw/zinc/21/98/14/190219814.db2.gz CMLVCXMSPNKHRN-NSHDSACASA-N 0 3 294.311 2.033 20 5 CEBDHN COCCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000299253482 378943807 /nfs/dbraw/zinc/94/38/07/378943807.db2.gz CSBFUNOHUDLIAL-UHFFFAOYSA-N 0 3 252.314 2.372 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC[C@@H](C)O ZINC000278587267 194058117 /nfs/dbraw/zinc/05/81/17/194058117.db2.gz GNDKDQJLTKEAOP-LLVKDONJSA-N 0 3 282.340 2.244 20 5 CEBDHN CNC(=O)CCN(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347356025 218203281 /nfs/dbraw/zinc/20/32/81/218203281.db2.gz KJOZRNBANJPDSZ-XFXZXTDPSA-N 0 3 291.351 2.066 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000266456524 190258888 /nfs/dbraw/zinc/25/88/88/190258888.db2.gz YARXBYJILCDGDD-GFCCVEGCSA-N 0 3 293.367 2.381 20 5 CEBDHN CC(C)(CN1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000457039496 379635652 /nfs/dbraw/zinc/63/56/52/379635652.db2.gz DOIHZERTYJVLDX-UHFFFAOYSA-N 0 3 297.380 2.261 20 5 CEBDHN CC1(C)CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457072504 379652774 /nfs/dbraw/zinc/65/27/74/379652774.db2.gz IYUDXSQJPLFPLP-UHFFFAOYSA-N 0 3 291.351 2.199 20 5 CEBDHN COC[C@H](C)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526124409 379705824 /nfs/dbraw/zinc/70/58/24/379705824.db2.gz BHNMDURBHYGNHN-LLVKDONJSA-N 0 3 264.325 2.235 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCN(C4CC4)C3)nc2c1 ZINC000094771845 285141429 /nfs/dbraw/zinc/14/14/29/285141429.db2.gz AJMMPXYKUAVMKI-SECBINFHSA-N 0 3 287.323 2.120 20 5 CEBDHN Cc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281175257 195136743 /nfs/dbraw/zinc/13/67/43/195136743.db2.gz YDTSWIKIBLDFMK-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000283717079 195905683 /nfs/dbraw/zinc/90/56/83/195905683.db2.gz FRLMWVPLISCJTD-GFCCVEGCSA-N 0 3 278.356 2.463 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995712 195958648 /nfs/dbraw/zinc/95/86/48/195958648.db2.gz HOJOBAKNBKXYAN-IINYFYTJSA-N 0 3 281.356 2.499 20 5 CEBDHN CO[C@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000190933350 533259866 /nfs/dbraw/zinc/25/98/66/533259866.db2.gz RPTNVSBBOGVSQD-NEPJUHHUSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1ccn(C[C@H]2CCCCN2C(C)C)c(=O)c1[N+](=O)[O-] ZINC000413001516 394457014 /nfs/dbraw/zinc/45/70/14/394457014.db2.gz RXNSUBCMGSZUBX-CYBMUJFWSA-N 0 3 293.367 2.328 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413022736 394464330 /nfs/dbraw/zinc/46/43/30/394464330.db2.gz FTPWIQXPYNWRLM-SECBINFHSA-N 0 3 268.292 2.025 20 5 CEBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000413231570 394508964 /nfs/dbraw/zinc/50/89/64/394508964.db2.gz BRKVYIMFYGKFON-VIFPVBQESA-N 0 3 280.303 2.191 20 5 CEBDHN CON1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000323243336 394549083 /nfs/dbraw/zinc/54/90/83/394549083.db2.gz DUGMTYIOPPFOGO-LLVKDONJSA-N 0 3 279.340 2.271 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(O)C1 ZINC000267294445 394675781 /nfs/dbraw/zinc/67/57/81/394675781.db2.gz AQOWPBIAMKUSRA-MFKMUULPSA-N 0 3 250.298 2.113 20 5 CEBDHN C[C@@H](NC[C@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015635 394708082 /nfs/dbraw/zinc/70/80/82/394708082.db2.gz YIZPOGDLJSNZFJ-ZWNOBZJWSA-N 0 3 282.365 2.113 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCCN(C)[C@H]1C ZINC000359560777 394761675 /nfs/dbraw/zinc/76/16/75/394761675.db2.gz ACMFMPMANFBFFW-WDEREUQCSA-N 0 3 281.360 2.014 20 5 CEBDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272249926 394768991 /nfs/dbraw/zinc/76/89/91/394768991.db2.gz YBBGAANEJSETNB-DOMZBBRYSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1cc(N[C@H](C)C2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000272983169 394780145 /nfs/dbraw/zinc/78/01/45/394780145.db2.gz PHFCCQAIIZDGBC-LLVKDONJSA-N 0 3 276.340 2.361 20 5 CEBDHN CCN1CCCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275467651 394807604 /nfs/dbraw/zinc/80/76/04/394807604.db2.gz NTBWSBPGSOOFJU-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482808 394930399 /nfs/dbraw/zinc/93/03/99/394930399.db2.gz RBLQMRDDSWDBGX-JOYOIKCWSA-N 0 3 285.294 2.243 20 5 CEBDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340377573 394985118 /nfs/dbraw/zinc/98/51/18/394985118.db2.gz ULDMWEFMAYGISA-LLVKDONJSA-N 0 3 292.339 2.153 20 5 CEBDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168520974 395087907 /nfs/dbraw/zinc/08/79/07/395087907.db2.gz PPAHYBISQVJMBD-RAALSFIWSA-N 0 3 270.354 2.012 20 5 CEBDHN CN1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375048483 395090016 /nfs/dbraw/zinc/09/00/16/395090016.db2.gz ILXKXVRRVSTXQM-NOZJJQNGSA-N 0 3 297.305 2.403 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375051815 395090425 /nfs/dbraw/zinc/09/04/25/395090425.db2.gz XEEASZBEYQSVFR-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C)[C@@H]2C)n1 ZINC000343462192 395039275 /nfs/dbraw/zinc/03/92/75/395039275.db2.gz SYJLBVOLKSXKGB-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN CCOC[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000494211869 395099510 /nfs/dbraw/zinc/09/95/10/395099510.db2.gz JACCKASJXCOCAN-NSHDSACASA-N 0 3 252.314 2.418 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)c(F)c1 ZINC000438908355 395236272 /nfs/dbraw/zinc/23/62/72/395236272.db2.gz UTUYZXNQMKOZBQ-BNOWGMLFSA-N 0 3 280.299 2.391 20 5 CEBDHN C[C@@H]1C[C@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358231 395298504 /nfs/dbraw/zinc/29/85/04/395298504.db2.gz DQLGFKROSCVHBZ-VXGBXAGGSA-N 0 3 291.351 2.163 20 5 CEBDHN COc1cc(N(C)C[C@H]2CCCN2C)c(F)cc1[N+](=O)[O-] ZINC000420642664 395399718 /nfs/dbraw/zinc/39/97/18/395399718.db2.gz WKKUHEXBVJMILX-SNVBAGLBSA-N 0 3 297.330 2.273 20 5 CEBDHN COc1cc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000420636382 395395269 /nfs/dbraw/zinc/39/52/69/395395269.db2.gz NHEAANWGSYGPMK-JTQLQIEISA-N 0 3 297.330 2.273 20 5 CEBDHN Cc1cccc(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420642270 395400008 /nfs/dbraw/zinc/40/00/08/395400008.db2.gz VQKQPVUIEHYAGL-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCNC[C@@](C)(F)C1 ZINC000420336875 395335115 /nfs/dbraw/zinc/33/51/15/395335115.db2.gz QIKBPVVWHMKLAE-BXUZGUMPSA-N 0 3 281.331 2.289 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)N(C)C)C1 ZINC000411938989 395342201 /nfs/dbraw/zinc/34/22/01/395342201.db2.gz NCQPMNKIMBIILY-VXGBXAGGSA-N 0 3 291.351 2.066 20 5 CEBDHN CO[C@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662440 155100495 /nfs/dbraw/zinc/10/04/95/155100495.db2.gz GSAHZJQWWVCYDU-VOKGJARPSA-N 0 3 292.335 2.003 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC3(CCO3)CC2)c1 ZINC000367093525 156128677 /nfs/dbraw/zinc/12/86/77/156128677.db2.gz LCTGBGNUMRTCNH-UHFFFAOYSA-N 0 3 292.335 2.229 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455325381 289450902 /nfs/dbraw/zinc/45/09/02/289450902.db2.gz FRYIWMRKHSBEJZ-UHFFFAOYSA-N 0 3 298.318 2.196 20 5 CEBDHN Cc1ccc(CN2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000530495451 298074339 /nfs/dbraw/zinc/07/43/39/298074339.db2.gz LYXACRGZBGYDHL-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376008542 157173323 /nfs/dbraw/zinc/17/33/23/157173323.db2.gz SGAPCFLRSBAMLB-HUUCEWRRSA-N 0 3 292.335 2.227 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[S@](C)=O ZINC000543417823 298307846 /nfs/dbraw/zinc/30/78/46/298307846.db2.gz DFKQADIMVDRSEQ-ADWYPQAOSA-N 0 3 284.381 2.321 20 5 CEBDHN CC(C)C(=O)NCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020125482 171008540 /nfs/dbraw/zinc/00/85/40/171008540.db2.gz VCLGASFUFZBDMR-LLVKDONJSA-N 0 3 279.340 2.018 20 5 CEBDHN CCC[C@@H](NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188651 171053323 /nfs/dbraw/zinc/05/33/23/171053323.db2.gz UBVRZAUTIGBKRT-CYBMUJFWSA-N 0 3 252.314 2.408 20 5 CEBDHN CCOCCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020552934 171248289 /nfs/dbraw/zinc/24/82/89/171248289.db2.gz ZJTALVNSYDNQFO-UHFFFAOYSA-N 0 3 268.313 2.120 20 5 CEBDHN CO[C@H](C)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285206965 196220394 /nfs/dbraw/zinc/22/03/94/196220394.db2.gz DIPDCNAQTQAKEI-LLVKDONJSA-N 0 3 252.314 2.104 20 5 CEBDHN CO[C@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000285270539 196237389 /nfs/dbraw/zinc/23/73/89/196237389.db2.gz DTLRZBXDNLWQTJ-TXEJJXNPSA-N 0 3 280.324 2.083 20 5 CEBDHN CC[C@H](NCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751812 173675643 /nfs/dbraw/zinc/67/56/43/173675643.db2.gz JTCAZXOYTNYNRB-ZDUSSCGKSA-N 0 3 279.340 2.114 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCCO1 ZINC000044417539 175173305 /nfs/dbraw/zinc/17/33/05/175173305.db2.gz CHMMXVVEIWTKQS-GFCCVEGCSA-N 0 3 250.298 2.254 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCC[C@@H]2O)c1 ZINC000077204331 177232577 /nfs/dbraw/zinc/23/25/77/177232577.db2.gz OPYZDTKBHOQJOP-OCCSQVGLSA-N 0 3 264.325 2.236 20 5 CEBDHN CC(=O)NCCN(C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000566796760 299022651 /nfs/dbraw/zinc/02/26/51/299022651.db2.gz IIWXHJLSLHIFOB-XFXZXTDPSA-N 0 3 291.351 2.066 20 5 CEBDHN CC[C@](C)(CNCc1ccccc1[N+](=O)[O-])OC ZINC000322514430 270335184 /nfs/dbraw/zinc/33/51/84/270335184.db2.gz JULANKGDZGBBNP-CYBMUJFWSA-N 0 3 252.314 2.500 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](CO)C[C@H](C)C1 ZINC000421361613 270609305 /nfs/dbraw/zinc/60/93/05/270609305.db2.gz LDYQXHFKHRFPTE-WCQYABFASA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425360973 271159409 /nfs/dbraw/zinc/15/94/09/271159409.db2.gz WSTGJROCPUSCRX-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272232335 277147283 /nfs/dbraw/zinc/14/72/83/277147283.db2.gz UXKDWTZPLPQWPA-BXKDBHETSA-N 0 3 296.758 2.174 20 5 CEBDHN CS[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340205003 277530226 /nfs/dbraw/zinc/53/02/26/277530226.db2.gz RJVXRUCVYLZTKF-STQMWFEESA-N 0 3 281.381 2.077 20 5 CEBDHN Cc1nc(N2CCC[C@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000269077828 279091116 /nfs/dbraw/zinc/09/11/16/279091116.db2.gz CKSDUYNNPBUGKU-JSGCOSHPSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1c([C@H](C)N[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000246295326 280285901 /nfs/dbraw/zinc/28/59/01/280285901.db2.gz CRJTVVOOGSPLSC-ZKYQVNSYSA-N 0 3 264.325 2.467 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC2)c1 ZINC000397911699 280687502 /nfs/dbraw/zinc/68/75/02/280687502.db2.gz GLHSJAMZRZTADD-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051839 280942405 /nfs/dbraw/zinc/94/24/05/280942405.db2.gz VXDQKSZQKKLZRK-VXGBXAGGSA-N 0 3 289.339 2.234 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@](C)(O)C1 ZINC000245521970 281020432 /nfs/dbraw/zinc/02/04/32/281020432.db2.gz LERWPGYMFRECPO-RISCZKNCSA-N 0 3 264.325 2.421 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@](C)(O)C1 ZINC000182825297 281021990 /nfs/dbraw/zinc/02/19/90/281021990.db2.gz LERWPGYMFRECPO-SMDDNHRTSA-N 0 3 264.325 2.421 20 5 CEBDHN CC(=O)NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153270362 289109487 /nfs/dbraw/zinc/10/94/87/289109487.db2.gz HJACUFBVHJSAGO-UHFFFAOYSA-N 0 3 291.351 2.085 20 5 CEBDHN CN(C)CCSCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000157750383 289220823 /nfs/dbraw/zinc/22/08/23/289220823.db2.gz PMZAIPACTPZJND-UHFFFAOYSA-N 0 3 298.364 2.256 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN([C@@H]1CCCC[C@H]1O)C2 ZINC000305656988 289272754 /nfs/dbraw/zinc/27/27/54/289272754.db2.gz PUXJAYLLJSKIIY-HUUCEWRRSA-N 0 3 276.336 2.256 20 5 CEBDHN O=[N+]([O-])c1cc(CNC2(CO)CCSCC2)cs1 ZINC000459720951 290216617 /nfs/dbraw/zinc/21/66/17/290216617.db2.gz GPTKVOQEEJVQDO-UHFFFAOYSA-N 0 3 288.394 2.004 20 5 CEBDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168521076 298901729 /nfs/dbraw/zinc/90/17/29/298901729.db2.gz PPAHYBISQVJMBD-JJQCHNSYSA-N 0 3 270.354 2.012 20 5 CEBDHN C[C@@](O)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581175 314097967 /nfs/dbraw/zinc/09/79/67/314097967.db2.gz JMBSJKRDZYXYRX-UKRRQHHQSA-N 0 3 276.336 2.333 20 5 CEBDHN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](C)O ZINC000577389108 314372121 /nfs/dbraw/zinc/37/21/21/314372121.db2.gz VUNMTCRLGOIBND-XDTLVQLUSA-N 0 3 264.325 2.331 20 5 CEBDHN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000387339685 517828225 /nfs/dbraw/zinc/82/82/25/517828225.db2.gz DZSMOHNSNCUYAZ-NRUUGDAUSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@H]1CCCN1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000742427115 575021254 /nfs/dbraw/zinc/02/12/54/575021254.db2.gz DUEJRMZSYLIVEC-VIFPVBQESA-N 0 3 295.368 2.200 20 5 CEBDHN Cc1cc(NCCN2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000746392057 575155531 /nfs/dbraw/zinc/15/55/31/575155531.db2.gz RRLKOPLLBOVHFI-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN CCCN(CC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749949248 575241349 /nfs/dbraw/zinc/24/13/49/575241349.db2.gz MVZXATNGHHOSHO-UHFFFAOYSA-N 0 3 277.328 2.337 20 5 CEBDHN CC(COC(=O)COc1ccc(F)c(Cl)c1)[N+](=O)[O-] ZINC000813115425 623081863 /nfs/dbraw/zinc/08/18/63/623081863.db2.gz RKRJCTFVDGZEER-SSDOTTSWSA-N 0 3 291.662 2.066 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934038617 624184466 /nfs/dbraw/zinc/18/44/66/624184466.db2.gz FEPFOQBYXJIZGM-KCPJHIHWSA-N 0 3 294.351 2.358 20 5 CEBDHN CO[C@@H]1CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124018 624246376 /nfs/dbraw/zinc/24/63/76/624246376.db2.gz GSDDEWIFNKPZPE-QWHCGFSZSA-N 0 3 250.298 2.204 20 5 CEBDHN CCNc1ccccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000902340557 634581443 /nfs/dbraw/zinc/58/14/43/634581443.db2.gz XDPABJPRGANWMO-UHFFFAOYSA-N 0 3 289.339 2.013 20 5 CEBDHN C[C@@H](N[C@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833694 627718055 /nfs/dbraw/zinc/71/80/55/627718055.db2.gz BGDJOGJQVANBGR-FOGDFJRCSA-N 0 3 250.298 2.280 20 5 CEBDHN C[C@@]1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000894804700 629643784 /nfs/dbraw/zinc/64/37/84/629643784.db2.gz PIXCVARUFAYCKB-ZDUSSCGKSA-N 0 3 297.742 2.007 20 5 CEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CN1C ZINC000801526774 631282857 /nfs/dbraw/zinc/28/28/57/631282857.db2.gz XBVIKJGPUVXMBU-QWRGUYRKSA-N 0 3 281.331 2.258 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1(C2(O)CCC2)CC1 ZINC000897530272 631670714 /nfs/dbraw/zinc/67/07/14/631670714.db2.gz GBLJEVJROPOBPJ-UHFFFAOYSA-N 0 3 276.336 2.380 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC1CC(CCO)C1 ZINC000898016165 632016070 /nfs/dbraw/zinc/01/60/70/632016070.db2.gz YVWIIUDDYXESFF-UHFFFAOYSA-N 0 3 284.743 2.499 20 5 CEBDHN CCOC(=O)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100945 632620823 /nfs/dbraw/zinc/62/08/23/632620823.db2.gz YUAWQLREOFXPBB-SECBINFHSA-N 0 3 297.263 2.044 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000813102689 632621703 /nfs/dbraw/zinc/62/17/03/632621703.db2.gz IUCIHVHKQMQFTB-ZHAHWJHGSA-N 0 3 267.256 2.138 20 5 CEBDHN COc1cc(OC2CC2)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104242 632622313 /nfs/dbraw/zinc/62/23/13/632622313.db2.gz KSFLJUOMDNMLIJ-SECBINFHSA-N 0 3 295.291 2.058 20 5 CEBDHN COc1cccc(/C(C)=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104493 632622827 /nfs/dbraw/zinc/62/28/27/632622827.db2.gz NHOAVKMULPXIBQ-BRNRAETOSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1ccccc1Cl)[N+](=O)[O-] ZINC000813105020 632623048 /nfs/dbraw/zinc/62/30/48/632623048.db2.gz TZQTWCCKIGBIIV-IUCAKERBSA-N 0 3 287.699 2.316 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000813104224 632623064 /nfs/dbraw/zinc/62/30/64/632623064.db2.gz YLKJOAPTLDNKRQ-TTZKWOQHSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(COC(=O)C[C@H]1CCc2ccccc21)[N+](=O)[O-] ZINC000813106176 632623479 /nfs/dbraw/zinc/62/34/79/632623479.db2.gz ZXUBXDPLCXBTOB-CMPLNLGQSA-N 0 3 263.293 2.315 20 5 CEBDHN CC(COC(=O)[C@H](C)OC1CCCCCC1)[N+](=O)[O-] ZINC000813107858 632624711 /nfs/dbraw/zinc/62/47/11/632624711.db2.gz XZCDQNBUCHASRU-QWRGUYRKSA-N 0 3 273.329 2.323 20 5 CEBDHN CC(COC(=O)c1c[nH]nc1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813106893 632625024 /nfs/dbraw/zinc/62/50/24/632625024.db2.gz HISGNBSUUQPWNY-MRVPVSSYSA-N 0 3 293.254 2.038 20 5 CEBDHN CC(C)c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108137 632625291 /nfs/dbraw/zinc/62/52/91/632625291.db2.gz AZVMPTJQBHHSSH-LLVKDONJSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)c1cccc([C@H]2CCCOC2)c1)[N+](=O)[O-] ZINC000813109393 632625643 /nfs/dbraw/zinc/62/56/43/632625643.db2.gz RTOTZONCQJXCJG-FZMZJTMJSA-N 0 3 293.319 2.403 20 5 CEBDHN CC[C@H](C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109589 632626183 /nfs/dbraw/zinc/62/61/83/632626183.db2.gz MSLFEAUWAHIDPV-ZJUUUORDSA-N 0 3 282.296 2.081 20 5 CEBDHN CC(COC(=O)[C@H]1[C@@H](C)[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000813111633 632627620 /nfs/dbraw/zinc/62/76/20/632627620.db2.gz JJXBREZAUKBAQI-DJIHRAIXSA-N 0 3 263.293 2.245 20 5 CEBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112853 632628429 /nfs/dbraw/zinc/62/84/29/632628429.db2.gz UWXRGBCDSOFDHO-PWSUYJOCSA-N 0 3 251.282 2.389 20 5 CEBDHN Cc1cc(C)c(OCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813115296 632629387 /nfs/dbraw/zinc/62/93/87/632629387.db2.gz OOQDOYGWYBGWTQ-GFCCVEGCSA-N 0 3 281.308 2.199 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)CO ZINC000814169915 632797778 /nfs/dbraw/zinc/79/77/78/632797778.db2.gz OLIGHPFCWKXXOL-SECBINFHSA-N 0 3 272.732 2.451 20 5 CEBDHN CCNCc1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398391 634091217 /nfs/dbraw/zinc/09/12/17/634091217.db2.gz RNBRRJCZEDADPK-UHFFFAOYSA-N 0 3 291.263 2.088 20 5 CEBDHN Cc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819341740 634147061 /nfs/dbraw/zinc/14/70/61/634147061.db2.gz SYJMSALCTHQSQA-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000819370465 634159571 /nfs/dbraw/zinc/15/95/71/634159571.db2.gz SKMSSAXCRKROBQ-MCIONIFRSA-N 0 3 282.315 2.499 20 5 CEBDHN COc1cc([C@@H](C)N[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092783 634974970 /nfs/dbraw/zinc/97/49/70/634974970.db2.gz LWVWPNOKMBPGGH-ZYHUDNBSSA-N 0 3 280.324 2.433 20 5 CEBDHN O=[N+]([O-])CCNCC1(Sc2ccccc2)CC1 ZINC000905107506 635818838 /nfs/dbraw/zinc/81/88/38/635818838.db2.gz ZXCRXNGPIMCFTQ-UHFFFAOYSA-N 0 3 252.339 2.178 20 5 CEBDHN CC[C@H](C)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000829251476 636812902 /nfs/dbraw/zinc/81/29/02/636812902.db2.gz CEKAROUEQCGCMY-NSHDSACASA-N 0 3 278.356 2.098 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]2C2CC2)c1 ZINC000834383636 637807563 /nfs/dbraw/zinc/80/75/63/637807563.db2.gz UZYAXJWCZMVARS-UONOGXRCSA-N 0 3 262.309 2.113 20 5 CEBDHN COc1cc(Cl)c(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000842363685 640030233 /nfs/dbraw/zinc/03/02/33/640030233.db2.gz NXUGNBYJALIIRT-LURJTMIESA-N 0 3 291.662 2.310 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@]1(F)c1ccccc1)[N+](=O)[O-] ZINC000842364414 640030401 /nfs/dbraw/zinc/03/04/01/640030401.db2.gz WMYDYTAJUDKSGJ-SUZMYJTESA-N 0 3 267.256 2.080 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@H](O)C1CC1 ZINC000877528018 650768128 /nfs/dbraw/zinc/76/81/28/650768128.db2.gz RBAXNLQNBUOMNV-HNNXBMFYSA-N 0 3 278.352 2.414 20 5 CEBDHN COc1ccc([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000851037486 642890270 /nfs/dbraw/zinc/89/02/70/642890270.db2.gz ZFEHCACYBBEOEW-TVYUQYBPSA-N 0 3 279.292 2.007 20 5 CEBDHN COc1ccc(CN2CC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835738 650928266 /nfs/dbraw/zinc/92/82/66/650928266.db2.gz WGEXDEIYJROBIY-GFCCVEGCSA-N 0 3 294.351 2.196 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000857028909 644792014 /nfs/dbraw/zinc/79/20/14/644792014.db2.gz GRYPFGTWLMXGLM-ORZBULNSSA-N 0 3 255.295 2.360 20 5 CEBDHN COC[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521264 645293580 /nfs/dbraw/zinc/29/35/80/645293580.db2.gz LHBIOXXOLSTZDL-MRVPVSSYSA-N 0 3 258.705 2.373 20 5 CEBDHN CC[S@](=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943993 645824220 /nfs/dbraw/zinc/82/42/20/645824220.db2.gz NLXGNYXOSBVYAE-WYRIXSBYSA-N 0 3 284.381 2.322 20 5 CEBDHN CC(COC(=O)C1CCc2ccccc2CC1)[N+](=O)[O-] ZINC000860777197 645902660 /nfs/dbraw/zinc/90/26/60/645902660.db2.gz MDWVDEKKEBILPV-LLVKDONJSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)c1ccc(-c2csnn2)cc1)[N+](=O)[O-] ZINC000860777824 645902689 /nfs/dbraw/zinc/90/26/89/645902689.db2.gz WSPZHIJIQMSKIH-QMMMGPOBSA-N 0 3 293.304 2.027 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cs1 ZINC000865691437 647425541 /nfs/dbraw/zinc/42/55/41/647425541.db2.gz BBYNPTZKOOKWHK-BSFRTMCYSA-N 0 3 280.349 2.169 20 5 CEBDHN C[C@@H](NC[C@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508468 648196155 /nfs/dbraw/zinc/19/61/55/648196155.db2.gz UZENLDJAMBYSAH-RNCFNFMXSA-N 0 3 291.307 2.154 20 5 CEBDHN C[C@H](NC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027249 649245151 /nfs/dbraw/zinc/24/51/51/649245151.db2.gz KOTFCNAHUBQNKW-VHSXEESVSA-N 0 3 268.288 2.421 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[S@](C)=O ZINC000873105352 649559412 /nfs/dbraw/zinc/55/94/12/649559412.db2.gz ZSKZZZKIVLSJAQ-OVWNDWIMSA-N 0 3 284.381 2.068 20 5 CEBDHN CSC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879098850 651243779 /nfs/dbraw/zinc/24/37/79/651243779.db2.gz JOKFJDFILFXHMW-AWEZNQCLSA-N 0 3 296.392 2.456 20 5 CEBDHN CSC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879098372 651243800 /nfs/dbraw/zinc/24/38/00/651243800.db2.gz CFCYSFASRLHJHU-AWEZNQCLSA-N 0 3 296.392 2.456 20 5 CEBDHN CC1(C)C[C@@H](O)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879619087 651331017 /nfs/dbraw/zinc/33/10/17/651331017.db2.gz MJWJYJBQBPQANR-CYBMUJFWSA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@H](N)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227440 651641279 /nfs/dbraw/zinc/64/12/79/651641279.db2.gz WIFNVGBUJOHXRC-JTQLQIEISA-N 0 3 295.730 2.298 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882576415 652142841 /nfs/dbraw/zinc/14/28/41/652142841.db2.gz WZWPBFBUMUZISU-SECBINFHSA-N 0 3 282.319 2.414 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccoc2)cc1 ZINC000134485925 652847171 /nfs/dbraw/zinc/84/71/71/652847171.db2.gz IALWYHXSPBNQHC-CYBMUJFWSA-N 0 3 262.265 2.011 20 5 CEBDHN CC[C@@H](CCO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134388511 802834984 /nfs/dbraw/zinc/83/49/84/802834984.db2.gz HRUASIUZQAKDPN-NSHDSACASA-N 0 3 272.732 2.499 20 5 CEBDHN CC(C)(CO)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135093829 803152117 /nfs/dbraw/zinc/15/21/17/803152117.db2.gz AQUHNNQCZOFWFF-UHFFFAOYSA-N 0 3 272.732 2.356 20 5 CEBDHN Cc1cc(C)c(-n2cnc(CN)c2)c(C)c1[N+](=O)[O-] ZINC001162302653 809311859 /nfs/dbraw/zinc/31/18/59/809311859.db2.gz YOSMLUWOJLFLQM-UHFFFAOYSA-N 0 3 260.297 2.164 20 5 CEBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C(C)C ZINC001273273440 810630720 /nfs/dbraw/zinc/63/07/20/810630720.db2.gz DHAPFKFATWQZAJ-UHFFFAOYSA-N 0 3 293.367 2.189 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC001168988565 811338170 /nfs/dbraw/zinc/33/81/70/811338170.db2.gz SLLNGCIOPHNWIO-LDYMZIIASA-N 0 3 287.722 2.409 20 5 CEBDHN Cc1cc2c(cn1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039116 811348148 /nfs/dbraw/zinc/34/81/48/811348148.db2.gz NENJDOOQXJHDGR-RISCZKNCSA-N 0 3 261.325 2.151 20 5 CEBDHN Cc1cc2c(cn1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039117 811349360 /nfs/dbraw/zinc/34/93/60/811349360.db2.gz NENJDOOQXJHDGR-SMDDNHRTSA-N 0 3 261.325 2.151 20 5 CEBDHN Cc1ccc(CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000034994540 361802195 /nfs/dbraw/zinc/80/21/95/361802195.db2.gz IHHQYSCTPXONJR-GFCCVEGCSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@@H](NC[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125432982 187184739 /nfs/dbraw/zinc/18/47/39/187184739.db2.gz PEUXAJNPDXHRTA-DOMZBBRYSA-N 0 3 294.351 2.035 20 5 CEBDHN C[C@@H](NCCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000041118897 362020650 /nfs/dbraw/zinc/02/06/50/362020650.db2.gz PKYTZQKBHBKSTR-LLVKDONJSA-N 0 3 260.297 2.142 20 5 CEBDHN Cc1cc(-c2ccc([N+](=O)[O-])cc2)n(CCN(C)C)n1 ZINC000601931346 346929383 /nfs/dbraw/zinc/92/93/83/346929383.db2.gz DCPXFXLOZQDZFC-UHFFFAOYSA-N 0 3 274.324 2.328 20 5 CEBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126488191 187243212 /nfs/dbraw/zinc/24/32/12/187243212.db2.gz XSUQNDREGXOUIC-ZDUSSCGKSA-N 0 3 250.298 2.109 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@@H](CO)C1 ZINC000449429803 282233840 /nfs/dbraw/zinc/23/38/40/282233840.db2.gz VKQUDMGSQOWCDU-YPMHNXCESA-N 0 3 294.351 2.244 20 5 CEBDHN CC(C)N1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000017281466 343372862 /nfs/dbraw/zinc/37/28/62/343372862.db2.gz HNGFGBOYLKFZFO-UHFFFAOYSA-N 0 3 264.329 2.275 20 5 CEBDHN COC[C@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000295043638 199316941 /nfs/dbraw/zinc/31/69/41/199316941.db2.gz FCJZIZSHZZMKPA-CQSZACIVSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057720896 343636176 /nfs/dbraw/zinc/63/61/76/343636176.db2.gz OGHGKWALWMHSDE-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1(CO)CC1 ZINC000449580741 282291237 /nfs/dbraw/zinc/29/12/37/282291237.db2.gz TZEHLPUCOLXABA-UHFFFAOYSA-N 0 3 294.351 2.246 20 5 CEBDHN Cc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000062053096 343670345 /nfs/dbraw/zinc/67/03/45/343670345.db2.gz DBCAWRJDNMUHRJ-UHFFFAOYSA-N 0 3 287.319 2.467 20 5 CEBDHN CN(C)CCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000075669253 343862012 /nfs/dbraw/zinc/86/20/12/343862012.db2.gz FRWZIOBJJOPLTJ-UHFFFAOYSA-N 0 3 292.383 2.033 20 5 CEBDHN CCC1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075858909 343869493 /nfs/dbraw/zinc/86/94/93/343869493.db2.gz VNXYIQYRSHCGRE-UHFFFAOYSA-N 0 3 278.352 2.374 20 5 CEBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000091480264 344164772 /nfs/dbraw/zinc/16/47/72/344164772.db2.gz HWFZCXSPXPRZGP-AWEZNQCLSA-N 0 3 279.340 2.118 20 5 CEBDHN C[C@@H](O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927538 344131432 /nfs/dbraw/zinc/13/14/32/344131432.db2.gz IHWGIBNWCONVLN-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCCN2C)c1 ZINC000092623067 344197028 /nfs/dbraw/zinc/19/70/28/344197028.db2.gz XWHCRUNAIFZVTD-SECBINFHSA-N 0 3 283.303 2.249 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(N(C)CCN2CCCC2)c1 ZINC000092649977 344197536 /nfs/dbraw/zinc/19/75/36/344197536.db2.gz RHUPTPDCSWPQIQ-UHFFFAOYSA-N 0 3 297.330 2.275 20 5 CEBDHN Cn1cc(CN2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602460247 347041900 /nfs/dbraw/zinc/04/19/00/347041900.db2.gz XIKIESDKPOIZKU-LLVKDONJSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1c(CN[C@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541747 344337461 /nfs/dbraw/zinc/33/74/61/344337461.db2.gz VXYOEGPDXSHMDP-QWHCGFSZSA-N 0 3 264.325 2.152 20 5 CEBDHN CCO[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156086495 344440983 /nfs/dbraw/zinc/44/09/83/344440983.db2.gz QOPSEBQYSSGNEA-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229964876 344569397 /nfs/dbraw/zinc/56/93/97/344569397.db2.gz GSWFFLXJKUCLOQ-GFCCVEGCSA-N 0 3 275.312 2.035 20 5 CEBDHN CCC[C@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229965005 344569485 /nfs/dbraw/zinc/56/94/85/344569485.db2.gz PXTUESVVIAPCJK-ZDUSSCGKSA-N 0 3 289.339 2.229 20 5 CEBDHN CC[C@H](N)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229926709 344569653 /nfs/dbraw/zinc/56/96/53/344569653.db2.gz PWEQQGCUXVUSKO-QMMMGPOBSA-N 0 3 281.703 2.239 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000602521561 347065418 /nfs/dbraw/zinc/06/54/18/347065418.db2.gz PRKCTIQSSQXIBI-DLBZAZTESA-N 0 3 298.342 2.385 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])CCN1C ZINC000401151514 344866713 /nfs/dbraw/zinc/86/67/13/344866713.db2.gz FQVNWBJGOPIWDA-WPRPVWTQSA-N 0 3 268.292 2.024 20 5 CEBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](C)O ZINC000584586027 344959706 /nfs/dbraw/zinc/95/97/06/344959706.db2.gz IGBQPMPKPDCGDM-SFYZADRCSA-N 0 3 292.257 2.473 20 5 CEBDHN CN1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000054241164 362520446 /nfs/dbraw/zinc/52/04/46/362520446.db2.gz IXSMQYYEXJRFNM-SNVBAGLBSA-N 0 3 267.304 2.488 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000589197014 345070722 /nfs/dbraw/zinc/07/07/22/345070722.db2.gz SZVIROAWSXYJIN-VOKGJARPSA-N 0 3 276.336 2.311 20 5 CEBDHN C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590656211 345155918 /nfs/dbraw/zinc/15/59/18/345155918.db2.gz GAOXSVPLBYNONF-SECBINFHSA-N 0 3 278.308 2.254 20 5 CEBDHN O=[N+]([O-])c1cnc(NCC23CCCN2CCC3)c(F)c1 ZINC000591159698 345226429 /nfs/dbraw/zinc/22/64/29/345226429.db2.gz GJIOHEIBKXUCJZ-UHFFFAOYSA-N 0 3 280.303 2.169 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243926 345233810 /nfs/dbraw/zinc/23/38/10/345233810.db2.gz XMNDYJSINDKEFD-RYUDHWBXSA-N 0 3 291.351 2.080 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000591435551 345253641 /nfs/dbraw/zinc/25/36/41/345253641.db2.gz JXZQHUQGDWTDJD-PHIMTYICSA-N 0 3 265.288 2.065 20 5 CEBDHN C[C@H](CO)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593081365 345434705 /nfs/dbraw/zinc/43/47/05/345434705.db2.gz CQXADLRGPZGHDM-GFCCVEGCSA-N 0 3 278.352 2.435 20 5 CEBDHN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593882466 345547484 /nfs/dbraw/zinc/54/74/84/345547484.db2.gz IBPFHQISYJLXNM-UHFFFAOYSA-N 0 3 291.351 2.153 20 5 CEBDHN CC(C)(C)[C@H](N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640210 345664399 /nfs/dbraw/zinc/66/43/99/345664399.db2.gz DEMHJQRFBHRTOE-GFCCVEGCSA-N 0 3 275.312 2.221 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000594708829 345675663 /nfs/dbraw/zinc/67/56/63/345675663.db2.gz CBILISHKIUSSAI-SLEUVZQESA-N 0 3 294.351 2.297 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594712256 345676797 /nfs/dbraw/zinc/67/67/97/345676797.db2.gz UKWGYVSHGPCXIK-CORIIIEPSA-N 0 3 294.351 2.297 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCOCC3)nc2c1 ZINC000602580515 347087152 /nfs/dbraw/zinc/08/71/52/347087152.db2.gz FCZDEVSMSVHQTE-JTQLQIEISA-N 0 3 291.307 2.395 20 5 CEBDHN CC[C@H](NC/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595070768 345739654 /nfs/dbraw/zinc/73/96/54/345739654.db2.gz NJUUCQXLIKPBJI-SCOBNMCVSA-N 0 3 250.298 2.184 20 5 CEBDHN CC[C@H](NC/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595070767 345739730 /nfs/dbraw/zinc/73/97/30/345739730.db2.gz NJUUCQXLIKPBJI-OOPCZODUSA-N 0 3 250.298 2.184 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCO[C@H]1CC1(F)F ZINC000594972045 345720354 /nfs/dbraw/zinc/72/03/54/345720354.db2.gz WECYLDPIFPTMQV-LBPRGKRZSA-N 0 3 286.278 2.417 20 5 CEBDHN Cc1cncc(CCNCc2csc([N+](=O)[O-])c2)n1 ZINC000594990375 345722471 /nfs/dbraw/zinc/72/24/71/345722471.db2.gz YNXRTGMLFZRPCK-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN CO[C@@]1(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000594996067 345723429 /nfs/dbraw/zinc/72/34/29/345723429.db2.gz RHRDVTUUHMTQNB-OLZOCXBDSA-N 0 3 250.298 2.170 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCOC1 ZINC000595009268 345725966 /nfs/dbraw/zinc/72/59/66/345725966.db2.gz BHHUCHZXEVRANZ-QWRGUYRKSA-N 0 3 280.324 2.433 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CCCn3nccc32)cc1 ZINC000595012046 345726700 /nfs/dbraw/zinc/72/67/00/345726700.db2.gz MWHIUUNZAAZWEE-CQSZACIVSA-N 0 3 286.335 2.459 20 5 CEBDHN CC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021456 345728697 /nfs/dbraw/zinc/72/86/97/345728697.db2.gz XVQKDIZLIZOVIY-QMTHXVAHSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)C(C)(C)O ZINC000595024187 345729332 /nfs/dbraw/zinc/72/93/32/345729332.db2.gz YIFALTTYNCWNPE-NXEZZACHSA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)C(C)(C)O ZINC000595024190 345729368 /nfs/dbraw/zinc/72/93/68/345729368.db2.gz YIFALTTYNCWNPE-ZJUUUORDSA-N 0 3 282.340 2.413 20 5 CEBDHN C[C@H](N[C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064681 345738050 /nfs/dbraw/zinc/73/80/50/345738050.db2.gz AFEBXJBICZPYSZ-QWRGUYRKSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000595748861 345866011 /nfs/dbraw/zinc/86/60/11/345866011.db2.gz ITEUSKMFHSYEKY-QWRGUYRKSA-N 0 3 264.325 2.044 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1N[C@H]1CCN(C3CC3)C1)CCN2 ZINC000596091517 345937953 /nfs/dbraw/zinc/93/79/53/345937953.db2.gz LTBAMWKELHQCLT-JTQLQIEISA-N 0 3 288.351 2.211 20 5 CEBDHN CCN(CCC[NH+]1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596205457 345968558 /nfs/dbraw/zinc/96/85/58/345968558.db2.gz IHWXMYPUAUCJEA-UHFFFAOYSA-N 0 3 294.355 2.008 20 5 CEBDHN C[C@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128291889 187361722 /nfs/dbraw/zinc/36/17/22/187361722.db2.gz FJOLRAXMANPPFC-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1ccc(CN2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212600 346150317 /nfs/dbraw/zinc/15/03/17/346150317.db2.gz VVFDPXJZXGPCIO-DZGCQCFKSA-N 0 3 276.336 2.372 20 5 CEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925827 346254305 /nfs/dbraw/zinc/25/43/05/346254305.db2.gz RYTKDTFGUQTYEJ-LBPRGKRZSA-N 0 3 291.351 2.197 20 5 CEBDHN CC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351244 362718361 /nfs/dbraw/zinc/71/83/61/362718361.db2.gz KUEMYSAUQKDUOS-CQSZACIVSA-N 0 3 264.325 2.360 20 5 CEBDHN CCC[C@H](N[C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599084094 346458128 /nfs/dbraw/zinc/45/81/28/346458128.db2.gz ZQLDAODHAHSDCQ-RRFJBIMHSA-N 0 3 294.351 2.175 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C1CCCC1 ZINC000599164708 346470368 /nfs/dbraw/zinc/47/03/68/346470368.db2.gz KERAKWKNRPEOFG-CYBMUJFWSA-N 0 3 290.367 2.149 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000129370336 365850707 /nfs/dbraw/zinc/85/07/07/365850707.db2.gz RCCOJJGNZJPZJL-WDEREUQCSA-N 0 3 276.340 2.335 20 5 CEBDHN CCC[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000601139583 346766194 /nfs/dbraw/zinc/76/61/94/346766194.db2.gz GHYJJHDSENFOPI-GFCCVEGCSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@H](NC[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812414 365851502 /nfs/dbraw/zinc/85/15/02/365851502.db2.gz AFRYOVYJMILNAX-HZMBPMFUSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@@](CO)(NC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148488 346769842 /nfs/dbraw/zinc/76/98/42/346769842.db2.gz COEDBPOKUIVQAV-RISCZKNCSA-N 0 3 296.392 2.145 20 5 CEBDHN C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814620 365854747 /nfs/dbraw/zinc/85/47/47/365854747.db2.gz XPYWANCBCZLWIA-GXSJLCMTSA-N 0 3 268.288 2.391 20 5 CEBDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783198 347196267 /nfs/dbraw/zinc/19/62/67/347196267.db2.gz NOIFHGQTOHTUQN-NQBHXWOUSA-N 0 3 278.356 2.481 20 5 CEBDHN Cn1cc(CN2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602850632 347224029 /nfs/dbraw/zinc/22/40/29/347224029.db2.gz QBVGFIWJIJKRSV-CYBMUJFWSA-N 0 3 278.356 2.483 20 5 CEBDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1[N+](=O)[O-] ZINC000602901404 347241888 /nfs/dbraw/zinc/24/18/88/347241888.db2.gz BYRWPIDTPDYNIW-CLYYMRHHSA-N 0 3 264.329 2.091 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](CCO)C2)cc1 ZINC000609204570 347630828 /nfs/dbraw/zinc/63/08/28/347630828.db2.gz XBWOZGWEJMIOAM-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C1 ZINC000609574301 347643961 /nfs/dbraw/zinc/64/39/61/347643961.db2.gz ZQFYCNWMWNJLJV-NSHDSACASA-N 0 3 277.324 2.102 20 5 CEBDHN COC[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610605215 347695474 /nfs/dbraw/zinc/69/54/74/347695474.db2.gz QNOJIJQMURNZLU-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1nc(N2CCCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000610754846 347711218 /nfs/dbraw/zinc/71/12/18/347711218.db2.gz VVGIXRPZHIDTTJ-UHFFFAOYSA-N 0 3 278.356 2.219 20 5 CEBDHN C[C@@H]1COCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000610990748 347728123 /nfs/dbraw/zinc/72/81/23/347728123.db2.gz LQSLAMBWLLXIQE-GFCCVEGCSA-N 0 3 264.325 2.248 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611091921 347738635 /nfs/dbraw/zinc/73/86/35/347738635.db2.gz CWHUZJSRKYVTBG-GFCCVEGCSA-N 0 3 277.368 2.429 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCOCC3(CC3)C2)cc1 ZINC000611813205 347818830 /nfs/dbraw/zinc/81/88/30/347818830.db2.gz LXJBBWMTUMNZQW-UHFFFAOYSA-N 0 3 276.336 2.250 20 5 CEBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000611498456 347786495 /nfs/dbraw/zinc/78/64/95/347786495.db2.gz FILBPERAOALBMS-UHFFFAOYSA-N 0 3 298.314 2.019 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086683369 179319910 /nfs/dbraw/zinc/31/99/10/179319910.db2.gz LUDPLHBVPSEMHQ-ZDUSSCGKSA-N 0 3 252.314 2.355 20 5 CEBDHN CN(CCN(C)C1CC1)c1sccc1[N+](=O)[O-] ZINC000613702025 348093386 /nfs/dbraw/zinc/09/33/86/348093386.db2.gz PRXIVCUVDRZCRU-UHFFFAOYSA-N 0 3 255.343 2.187 20 5 CEBDHN CCOC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000351941311 219257873 /nfs/dbraw/zinc/25/78/73/219257873.db2.gz PJIFQSLMWONVMA-UHFFFAOYSA-N 0 3 278.308 2.028 20 5 CEBDHN CC[C@@H](NCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087009773 179378674 /nfs/dbraw/zinc/37/86/74/179378674.db2.gz HWLZHRRJSVWEBI-GFCCVEGCSA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000273485507 192170501 /nfs/dbraw/zinc/17/05/01/192170501.db2.gz VPUHGRHOHWMIOX-SMDDNHRTSA-N 0 3 264.325 2.106 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774133 180038782 /nfs/dbraw/zinc/03/87/82/180038782.db2.gz XQKSTVAMQVAVBC-PWSUYJOCSA-N 0 3 280.324 2.433 20 5 CEBDHN CCC[C@H](NCC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949071 180071112 /nfs/dbraw/zinc/07/11/12/180071112.db2.gz LSHXCOQUNGJKAH-GJZGRUSLSA-N 0 3 296.367 2.423 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(CC)C1 ZINC000091558989 180191220 /nfs/dbraw/zinc/19/12/20/180191220.db2.gz NJCYSEBFUYNZIQ-NSHDSACASA-N 0 3 281.360 2.016 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000352194814 219355240 /nfs/dbraw/zinc/35/52/40/219355240.db2.gz MAFSWWABTICDOI-ZDUSSCGKSA-N 0 3 250.298 2.206 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000122828249 187054470 /nfs/dbraw/zinc/05/44/70/187054470.db2.gz LUCMONSOIVSWGF-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN CO[C@@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123236632 187079646 /nfs/dbraw/zinc/07/96/46/187079646.db2.gz KMHRWUSBEHDOBJ-BXUZGUMPSA-N 0 3 280.324 2.051 20 5 CEBDHN COc1ccc(CN(C)CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000123848665 187111756 /nfs/dbraw/zinc/11/17/56/187111756.db2.gz UCKCGRVFKKBNEK-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN COc1cccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000271654979 191261957 /nfs/dbraw/zinc/26/19/57/191261957.db2.gz JVFOJYFEJBSAJH-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000154406051 188140291 /nfs/dbraw/zinc/14/02/91/188140291.db2.gz MFPGRIPQXFQUSJ-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000337231659 366094164 /nfs/dbraw/zinc/09/41/64/366094164.db2.gz XJBITOIGFJHFSL-NXEZZACHSA-N 0 3 268.288 2.249 20 5 CEBDHN C[C@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553179 283032152 /nfs/dbraw/zinc/03/21/52/283032152.db2.gz XSFLUQPNQBVAEP-WCQYABFASA-N 0 3 264.325 2.155 20 5 CEBDHN CCCN1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074750852 363382420 /nfs/dbraw/zinc/38/24/20/363382420.db2.gz RKJVLOUSRLZNMK-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN CN1CC[C@@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000451622870 283054276 /nfs/dbraw/zinc/05/42/76/283054276.db2.gz HNEHROJSIKWRIH-YGRLFVJLSA-N 0 3 295.770 2.384 20 5 CEBDHN COc1cc(CN[C@@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000451808163 283111370 /nfs/dbraw/zinc/11/13/70/283111370.db2.gz DSHCCEHYXBCPJH-CYBMUJFWSA-N 0 3 280.324 2.118 20 5 CEBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000452110694 283190142 /nfs/dbraw/zinc/19/01/42/283190142.db2.gz RRKGKPWFRWNOPT-LSDHHAIUSA-N 0 3 290.363 2.494 20 5 CEBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000075960932 363502422 /nfs/dbraw/zinc/50/24/22/363502422.db2.gz ZSWWMTXKJYMUPH-JTQLQIEISA-N 0 3 292.339 2.199 20 5 CEBDHN CC(C)N(CCN(C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000274336870 192541334 /nfs/dbraw/zinc/54/13/34/192541334.db2.gz HGKSUGDZFMWHDV-UHFFFAOYSA-N 0 3 286.763 2.420 20 5 CEBDHN C[C@H](NC(=O)[C@]1(C)CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000136164521 366500035 /nfs/dbraw/zinc/50/00/35/366500035.db2.gz AWTPEDVYAMLEAQ-NHYWBVRUSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000341207513 215873687 /nfs/dbraw/zinc/87/36/87/215873687.db2.gz TWKZOVBKVAMQFQ-PWSUYJOCSA-N 0 3 292.339 2.199 20 5 CEBDHN C[C@H](NC[C@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579690 216021296 /nfs/dbraw/zinc/02/12/96/216021296.db2.gz ZQEAOBCWCPTQAW-NHYWBVRUSA-N 0 3 294.351 2.033 20 5 CEBDHN CC(=O)c1cc(NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000341781702 216100406 /nfs/dbraw/zinc/10/04/06/216100406.db2.gz XFXLYLLOKNCBFP-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN CC(C)N1CCCC[C@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000339114594 366658503 /nfs/dbraw/zinc/65/85/03/366658503.db2.gz RDSLUASOIXGMBJ-LBPRGKRZSA-N 0 3 279.340 2.019 20 5 CEBDHN C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177056853 189024613 /nfs/dbraw/zinc/02/46/13/189024613.db2.gz ZYDCZLCXFSVWRV-SCZZXKLOSA-N 0 3 295.364 2.011 20 5 CEBDHN Cc1c([C@H](C)NCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000178294214 189104079 /nfs/dbraw/zinc/10/40/79/189104079.db2.gz SEKYDROHZIGKAG-NSHDSACASA-N 0 3 279.340 2.032 20 5 CEBDHN COCC[C@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373501 189111120 /nfs/dbraw/zinc/11/11/20/189111120.db2.gz KDTYSVXLENEKSK-WFASDCNBSA-N 0 3 296.367 2.341 20 5 CEBDHN CC[C@H](NC[C@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380016 189111918 /nfs/dbraw/zinc/11/19/18/189111918.db2.gz FMEIXHXGTWGATP-LSDHHAIUSA-N 0 3 296.367 2.423 20 5 CEBDHN CC1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929808 189310436 /nfs/dbraw/zinc/31/04/36/189310436.db2.gz SGTWBRWUPJHOTC-GFCCVEGCSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H](NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092585 361578563 /nfs/dbraw/zinc/57/85/63/361578563.db2.gz YZVNVYAHJBPLQF-MFKMUULPSA-N 0 3 250.298 2.424 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCOC1 ZINC000084439839 363809742 /nfs/dbraw/zinc/80/97/42/363809742.db2.gz XSDXJBJBNSHCPZ-SECBINFHSA-N 0 3 270.716 2.374 20 5 CEBDHN CC[C@@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440126 363811099 /nfs/dbraw/zinc/81/10/99/363811099.db2.gz GKPJKSZNGQCUCQ-GFCCVEGCSA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1ccc(CN(C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093839854 364232727 /nfs/dbraw/zinc/23/27/27/364232727.db2.gz PZROITUVIIMXDN-CYBMUJFWSA-N 0 3 264.325 2.372 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245411273 370816458 /nfs/dbraw/zinc/81/64/58/370816458.db2.gz WCKOBEMJSZIKSK-NEPJUHHUSA-N 0 3 291.351 2.243 20 5 CEBDHN C[C@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236612 366892440 /nfs/dbraw/zinc/89/24/40/366892440.db2.gz YUWSSVRMKQEJMQ-SMDDNHRTSA-N 0 3 264.325 2.330 20 5 CEBDHN CCOC1CC(CN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000586769028 367188985 /nfs/dbraw/zinc/18/89/85/367188985.db2.gz HSIOKRJXLKDOQN-UHFFFAOYSA-N 0 3 291.351 2.163 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccncc1[N+](=O)[O-] ZINC000341135720 367189533 /nfs/dbraw/zinc/18/95/33/367189533.db2.gz YPQWYXIMIYDTME-VXGBXAGGSA-N 0 3 278.356 2.087 20 5 CEBDHN CC[C@H](O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168134777 367346892 /nfs/dbraw/zinc/34/68/92/367346892.db2.gz RODDNTZHCUJLMM-NSHDSACASA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCCCO ZINC000343026067 367636833 /nfs/dbraw/zinc/63/68/33/367636833.db2.gz SSKVMLACDXPSGD-LLVKDONJSA-N 0 3 252.314 2.360 20 5 CEBDHN CC[C@H](NC[C@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051544 370886626 /nfs/dbraw/zinc/88/66/26/370886626.db2.gz WODRHCBQGHGGDG-SNPRPXQTSA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343451053 367821690 /nfs/dbraw/zinc/82/16/90/367821690.db2.gz NTUONWMZYJCZRP-SMDDNHRTSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1nc(N[C@@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343588292 367902158 /nfs/dbraw/zinc/90/21/58/367902158.db2.gz FWKZEOIIKIBOPP-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H](C)CO ZINC000349274513 369286472 /nfs/dbraw/zinc/28/64/72/369286472.db2.gz GADPSYBCQKZTIL-RDQDRAATSA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1nc(NC[C@@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000349414232 369323845 /nfs/dbraw/zinc/32/38/45/369323845.db2.gz MXSMZBROPUKNCC-VXGBXAGGSA-N 0 3 292.383 2.395 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1CN1CCCC1 ZINC000189078468 369453451 /nfs/dbraw/zinc/45/34/51/369453451.db2.gz VHUMFVOOHOCZHC-GFCCVEGCSA-N 0 3 276.340 2.054 20 5 CEBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000330897383 203365598 /nfs/dbraw/zinc/36/55/98/203365598.db2.gz HMDBPGPLQRMIMN-RYUDHWBXSA-N 0 3 291.351 2.084 20 5 CEBDHN CN1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000350255029 369528360 /nfs/dbraw/zinc/52/83/60/369528360.db2.gz LQIMPTKPATYECY-SSDOTTSWSA-N 0 3 280.309 2.125 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2CCO)cs1 ZINC000189958736 369583647 /nfs/dbraw/zinc/58/36/47/369583647.db2.gz FQYAHBPBEPPGIB-QWRGUYRKSA-N 0 3 270.354 2.297 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000189972455 369585048 /nfs/dbraw/zinc/58/50/48/369585048.db2.gz STTZAENGJWMWBF-DGCLKSJQSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1c(CN(C)CC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000190038202 369590955 /nfs/dbraw/zinc/59/09/55/369590955.db2.gz NNFUTOLJMWQALT-UHFFFAOYSA-N 0 3 264.325 2.108 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCCCO ZINC000276596542 193394544 /nfs/dbraw/zinc/39/45/44/193394544.db2.gz DTBCZGQHEDLCIV-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN COc1cc(CN2CCN(C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352767882 369875555 /nfs/dbraw/zinc/87/55/55/369875555.db2.gz DAMJBCMGRPSWRN-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN CC(C)[C@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000352874897 369925871 /nfs/dbraw/zinc/92/58/71/369925871.db2.gz WXZIBIDKGJPVAW-NSHDSACASA-N 0 3 258.343 2.153 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000354433225 370360648 /nfs/dbraw/zinc/36/06/48/370360648.db2.gz APLUNQYFHIHEFK-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN C[C@@H]1CCC[C@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000355340770 370554641 /nfs/dbraw/zinc/55/46/41/370554641.db2.gz WXWZAWMXLDTUGU-WDEREUQCSA-N 0 3 266.345 2.339 20 5 CEBDHN C[C@H](CN(C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235449684 370566233 /nfs/dbraw/zinc/56/62/33/370566233.db2.gz RXOLZJATEXGYCW-SSDOTTSWSA-N 0 3 259.256 2.235 20 5 CEBDHN CC(C)[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236713745 370613813 /nfs/dbraw/zinc/61/38/13/370613813.db2.gz LQATXMNYXFDFBE-LBPRGKRZSA-N 0 3 299.758 2.190 20 5 CEBDHN Cc1c(CN[C@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303204 371003579 /nfs/dbraw/zinc/00/35/79/371003579.db2.gz AVDANHJGBWNWBP-ABAIWWIYSA-N 0 3 289.379 2.476 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252544735 371454568 /nfs/dbraw/zinc/45/45/68/371454568.db2.gz INULGBFYWMMHOB-NWDGAFQWSA-N 0 3 295.314 2.009 20 5 CEBDHN CC(C)OC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000337325410 214007903 /nfs/dbraw/zinc/00/79/03/214007903.db2.gz BVPUPCDUNUPIKZ-NSHDSACASA-N 0 3 252.314 2.498 20 5 CEBDHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000262160728 371832436 /nfs/dbraw/zinc/83/24/36/371832436.db2.gz URAZYYLNYWZBGL-DRCTWCGVSA-N 0 3 293.367 2.454 20 5 CEBDHN COc1ccc(CN(C)[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000269653557 372520733 /nfs/dbraw/zinc/52/07/33/372520733.db2.gz MVQRFLHNCLWTBH-CQSZACIVSA-N 0 3 296.367 2.442 20 5 CEBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270688337 372902785 /nfs/dbraw/zinc/90/27/85/372902785.db2.gz WWHWBTSIBCTDNL-UONOGXRCSA-N 0 3 295.408 2.072 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272135638 373323084 /nfs/dbraw/zinc/32/30/84/373323084.db2.gz AJVSGGRPPITJBT-SWLSCSKDSA-N 0 3 275.352 2.434 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](O)C(F)F ZINC000344991286 217379798 /nfs/dbraw/zinc/37/97/98/217379798.db2.gz XVENICPSSAQNBC-LHXVZLOVSA-N 0 3 286.278 2.214 20 5 CEBDHN CO[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000371731972 373962189 /nfs/dbraw/zinc/96/21/89/373962189.db2.gz GKAURXYWJDYRTO-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374389311 374560713 /nfs/dbraw/zinc/56/07/13/374560713.db2.gz FRKLGEQGELRKND-UONOGXRCSA-N 0 3 276.336 2.453 20 5 CEBDHN Cc1ccc(N2CC[C@@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375044158 374640797 /nfs/dbraw/zinc/64/07/97/374640797.db2.gz XYKVZYYKXBRJAL-WFASDCNBSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1ccc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375044157 374640974 /nfs/dbraw/zinc/64/09/74/374640974.db2.gz XYKVZYYKXBRJAL-SWLSCSKDSA-N 0 3 275.352 2.434 20 5 CEBDHN CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000377233395 374818214 /nfs/dbraw/zinc/81/82/14/374818214.db2.gz SBJLYZMMRATWKG-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O ZINC000386813535 375267939 /nfs/dbraw/zinc/26/79/39/375267939.db2.gz SEIFNRXGDVBYEQ-QPUJVOFHSA-N 0 3 272.732 2.497 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000286286607 375898349 /nfs/dbraw/zinc/89/83/49/375898349.db2.gz WFQZXEUNUVNSKE-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1ccc([N+](=O)[O-])cc1 ZINC000286299280 375904195 /nfs/dbraw/zinc/90/41/95/375904195.db2.gz CJJZIFHTIAYQBE-RHMLRGBNSA-N 0 3 288.347 2.450 20 5 CEBDHN CCC[C@@](C)(N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261539172 190040562 /nfs/dbraw/zinc/04/05/62/190040562.db2.gz XAQNRGZWDPLPON-GFCCVEGCSA-N 0 3 251.286 2.051 20 5 CEBDHN CCN(CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000263758629 190077224 /nfs/dbraw/zinc/07/72/24/190077224.db2.gz QWVKLXFVWQSYBG-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCc2cn[nH]c2)c1 ZINC000289753844 376483180 /nfs/dbraw/zinc/48/31/80/376483180.db2.gz HSWKWPWSCCZPOM-UHFFFAOYSA-N 0 3 280.715 2.304 20 5 CEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264615649 190122929 /nfs/dbraw/zinc/12/29/29/190122929.db2.gz ANRDGBSIEDHECH-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCN(C3CCC3)CC2)c1 ZINC000264998612 190150813 /nfs/dbraw/zinc/15/08/13/190150813.db2.gz OLIIKZPMWFYYKJ-UHFFFAOYSA-N 0 3 275.352 2.265 20 5 CEBDHN Cc1ccnc(N[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000265157667 190161929 /nfs/dbraw/zinc/16/19/29/190161929.db2.gz DARDXOSRDMLDPM-NSHDSACASA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293490113 377590706 /nfs/dbraw/zinc/59/07/06/377590706.db2.gz SSMAHMFVRQZDRU-MNOVXSKESA-N 0 3 250.298 2.314 20 5 CEBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293518665 377605697 /nfs/dbraw/zinc/60/56/97/377605697.db2.gz VVWUTTBQBDOPBX-MNOVXSKESA-N 0 3 277.324 2.264 20 5 CEBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000293629673 377665532 /nfs/dbraw/zinc/66/55/32/377665532.db2.gz LKBRJUIJLQUBDQ-WMADIVHISA-N 0 3 264.325 2.311 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000295086363 378040309 /nfs/dbraw/zinc/04/03/09/378040309.db2.gz RAUGVKPBBLQIEF-GHMZBOCLSA-N 0 3 274.267 2.089 20 5 CEBDHN CO[C@H](C)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000442997986 378026226 /nfs/dbraw/zinc/02/62/26/378026226.db2.gz HTTKEIWHAXDWHC-JPVGGKMYSA-N 0 3 250.298 2.233 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000295325534 378106425 /nfs/dbraw/zinc/10/64/25/378106425.db2.gz ZFZZFXJFTBSPAC-MNOVXSKESA-N 0 3 291.351 2.221 20 5 CEBDHN CC[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777403 378230757 /nfs/dbraw/zinc/23/07/57/378230757.db2.gz QIXMGEJRCWRXPD-AAEUAGOBSA-N 0 3 293.367 2.030 20 5 CEBDHN COc1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000266280208 190245770 /nfs/dbraw/zinc/24/57/70/190245770.db2.gz TXGKLONHBXJPSX-CYBMUJFWSA-N 0 3 289.335 2.054 20 5 CEBDHN Cc1cnc(CCNCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000453601678 378918042 /nfs/dbraw/zinc/91/80/42/378918042.db2.gz VEDGQOWHYPZOCO-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN Cc1nnc(CCNCc2ccccc2[N+](=O)[O-])s1 ZINC000289444070 197351013 /nfs/dbraw/zinc/35/10/13/197351013.db2.gz AXBSYRTZPXBKCZ-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000267092341 190302822 /nfs/dbraw/zinc/30/28/22/190302822.db2.gz UVDHXKYTHAYUSD-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000347789093 218358418 /nfs/dbraw/zinc/35/84/18/218358418.db2.gz SHJCAOIXOOMFJK-LBPRGKRZSA-N 0 3 280.324 2.118 20 5 CEBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489415890 380187897 /nfs/dbraw/zinc/18/78/97/380187897.db2.gz RTWFWDPBRSOPOP-SMDDNHRTSA-N 0 3 294.351 2.065 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334042237 380219356 /nfs/dbraw/zinc/21/93/56/380219356.db2.gz IRMCKWFMHFNQDY-RYUDHWBXSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1C[C@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548754396 380556725 /nfs/dbraw/zinc/55/67/25/380556725.db2.gz DUFXZKAFDIPMLD-PHIMTYICSA-N 0 3 277.324 2.406 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000552137960 380688131 /nfs/dbraw/zinc/68/81/31/380688131.db2.gz VJOKRYBDXGZGKU-CYBMUJFWSA-N 0 3 263.341 2.121 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)cc1 ZINC000414528840 285115756 /nfs/dbraw/zinc/11/57/56/285115756.db2.gz BKSZLESDHWQVCG-NWDGAFQWSA-N 0 3 286.278 2.233 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCC3)CC2)cc1 ZINC000115103419 285125636 /nfs/dbraw/zinc/12/56/36/285125636.db2.gz JMJIATLKPIAKJH-UHFFFAOYSA-N 0 3 261.325 2.269 20 5 CEBDHN CNC(=O)[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967755 394458210 /nfs/dbraw/zinc/45/82/10/394458210.db2.gz AJLRILOBLUHJKC-VXGBXAGGSA-N 0 3 291.351 2.032 20 5 CEBDHN Cc1nn(C[C@@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000413005816 394459265 /nfs/dbraw/zinc/45/92/65/394459265.db2.gz XARKBARXELWPIL-LBPRGKRZSA-N 0 3 266.345 2.363 20 5 CEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N(C)C ZINC000413052584 394474903 /nfs/dbraw/zinc/47/49/03/394474903.db2.gz MMWAICDHBDPBAN-ZETCQYMHSA-N 0 3 292.261 2.371 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413090458 394480810 /nfs/dbraw/zinc/48/08/10/394480810.db2.gz IXKUBGNSMBVWPP-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000421704778 394569520 /nfs/dbraw/zinc/56/95/20/394569520.db2.gz PUEWYXLCHZMSEV-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN1C ZINC000421774243 394589707 /nfs/dbraw/zinc/58/97/07/394589707.db2.gz SRLWGGJCWMNRJX-LBPRGKRZSA-N 0 3 291.351 2.036 20 5 CEBDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000356174354 394554001 /nfs/dbraw/zinc/55/40/01/394554001.db2.gz SZYGJSCIYNXCJV-JTQLQIEISA-N 0 3 296.346 2.460 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000051554726 394555840 /nfs/dbraw/zinc/55/58/40/394555840.db2.gz ZEHFWOZCZDHNTO-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN CC[C@@H]1CCCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331690192 394631822 /nfs/dbraw/zinc/63/18/22/394631822.db2.gz WWYUIADKKNCKJC-LLVKDONJSA-N 0 3 266.345 2.483 20 5 CEBDHN C[C@@H]1[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356999381 394676833 /nfs/dbraw/zinc/67/68/33/394676833.db2.gz KLLGECZYJXPSAJ-OLZOCXBDSA-N 0 3 277.368 2.162 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051837 394709592 /nfs/dbraw/zinc/70/95/92/394709592.db2.gz VXDQKSZQKKLZRK-RYUDHWBXSA-N 0 3 289.339 2.234 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000361152112 394818016 /nfs/dbraw/zinc/81/80/16/394818016.db2.gz HZXDHLUXZXOPDG-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846723 395001090 /nfs/dbraw/zinc/00/10/90/395001090.db2.gz NXOSBMQCMDHBKZ-PRHODGIISA-N 0 3 299.758 2.238 20 5 CEBDHN C[C@H]1CSC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000285859133 394974330 /nfs/dbraw/zinc/97/43/30/394974330.db2.gz ILQFZTHRRDOBSD-ONGXEEELSA-N 0 3 252.339 2.436 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000151763981 394978700 /nfs/dbraw/zinc/97/87/00/394978700.db2.gz TWRGEZKGJIJXPV-UHFFFAOYSA-N 0 3 279.340 2.007 20 5 CEBDHN C[C@@H]1[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCCN1C ZINC000436360617 395111744 /nfs/dbraw/zinc/11/17/44/395111744.db2.gz NGWIGNOAKWAYSS-PWSUYJOCSA-N 0 3 290.367 2.457 20 5 CEBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc21 ZINC000176202376 395137835 /nfs/dbraw/zinc/13/78/35/395137835.db2.gz UEGYVOPPXJBBCJ-AWEZNQCLSA-N 0 3 286.335 2.411 20 5 CEBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000351936773 395240896 /nfs/dbraw/zinc/24/08/96/395240896.db2.gz QUCYQKWJYNASDW-NWDGAFQWSA-N 0 3 263.341 2.119 20 5 CEBDHN CN1CC[C@@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292376177 395194035 /nfs/dbraw/zinc/19/40/35/395194035.db2.gz SGKCEJKAHNDHKT-CQSZACIVSA-N 0 3 279.315 2.266 20 5 CEBDHN C[C@@H](NCC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184532098 395273559 /nfs/dbraw/zinc/27/35/59/395273559.db2.gz LPFSGCBSEHRLPS-LLVKDONJSA-N 0 3 264.325 2.408 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000192128732 395373152 /nfs/dbraw/zinc/37/31/52/395373152.db2.gz HXWHBSGUUOPJIR-ZYHUDNBSSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1nc(NC(=O)C(C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000355246914 395382528 /nfs/dbraw/zinc/38/25/28/395382528.db2.gz YCNNCTMNWAQFFW-RXMQYKEDSA-N 0 3 277.202 2.435 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCCN1CC ZINC000192586586 395387187 /nfs/dbraw/zinc/38/71/87/395387187.db2.gz JDJWHXNMYPFZNF-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ncccc1[O-] ZINC000355285552 395396440 /nfs/dbraw/zinc/39/64/40/395396440.db2.gz DQBPZCGMPOLEPR-ZZXKWVIFSA-N 0 3 285.303 2.498 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1=CCOCC1 ZINC000449400666 395546139 /nfs/dbraw/zinc/54/61/39/395546139.db2.gz CMXDNHNWOGLCEA-UHFFFAOYSA-N 0 3 262.309 2.340 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250298 395598695 /nfs/dbraw/zinc/59/86/95/395598695.db2.gz DHGHIDZGTDNUAR-STQMWFEESA-N 0 3 294.351 2.196 20 5 CEBDHN COc1cc(CN(C)[C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000451378508 395612406 /nfs/dbraw/zinc/61/24/06/395612406.db2.gz ZZGNWNURXRSATK-SNVBAGLBSA-N 0 3 282.340 2.195 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)O ZINC000160618164 297439178 /nfs/dbraw/zinc/43/91/78/297439178.db2.gz WSGXMRZODOJMPO-JTQLQIEISA-N 0 3 252.314 2.325 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H]3OCCC[C@H]23)cs1 ZINC000190340563 153126380 /nfs/dbraw/zinc/12/63/80/153126380.db2.gz CQVDRMCBSPPOBN-GMTAPVOTSA-N 0 3 268.338 2.313 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNCC[C@H]1CCOC1 ZINC000220689755 153308414 /nfs/dbraw/zinc/30/84/14/153308414.db2.gz BVPAITNEYWDJKW-NSHDSACASA-N 0 3 280.324 2.120 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCC(O)CC1 ZINC000237095974 153461266 /nfs/dbraw/zinc/46/12/66/153461266.db2.gz RAUSRQWJGHEHKH-UHFFFAOYSA-N 0 3 294.351 2.387 20 5 CEBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(F)cc3)CC2)n1 ZINC000357933940 154404211 /nfs/dbraw/zinc/40/42/11/154404211.db2.gz ZDLXGLHUBBHJHD-UHFFFAOYSA-N 0 3 290.298 2.209 20 5 CEBDHN C[C@H]1CCOCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000367666405 156222415 /nfs/dbraw/zinc/22/24/15/156222415.db2.gz VUGKLSOAGQCHKP-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H](N[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963665 287058210 /nfs/dbraw/zinc/05/82/10/287058210.db2.gz REWPPHCKZACSLO-ZYHUDNBSSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)CO ZINC000167060768 165035181 /nfs/dbraw/zinc/03/51/81/165035181.db2.gz CIKAZPHXJKXUMP-RKDXNWHRSA-N 0 3 272.732 2.355 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCCOC[C@@H]1CCCO1 ZINC000020146882 171033286 /nfs/dbraw/zinc/03/32/86/171033286.db2.gz IOOZJFGFZYYMJG-AWEZNQCLSA-N 0 3 294.351 2.270 20 5 CEBDHN C[C@@H](NC[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038088237 174101324 /nfs/dbraw/zinc/10/13/24/174101324.db2.gz FYPCTTMXPZPWAJ-WDEREUQCSA-N 0 3 251.330 2.196 20 5 CEBDHN CC1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046701715 175398368 /nfs/dbraw/zinc/39/83/68/175398368.db2.gz ZWPUWNUKNBVVIY-AWEZNQCLSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H](NC[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277816 176107861 /nfs/dbraw/zinc/10/78/61/176107861.db2.gz VQIPJCUNTGVWRX-ZANVPECISA-N 0 3 250.298 2.016 20 5 CEBDHN CC[C@H](CCO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077453548 177270147 /nfs/dbraw/zinc/27/01/47/177270147.db2.gz QVKYGVZMBJCMLT-LLVKDONJSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230198 274228324 /nfs/dbraw/zinc/22/83/24/274228324.db2.gz ZXWGHRUZMHQZBQ-ZANVPECISA-N 0 3 264.325 2.288 20 5 CEBDHN CC(C)c1ccc(CN[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424195054 271031273 /nfs/dbraw/zinc/03/12/73/271031273.db2.gz BZPJUXFATBXTSM-TZMCWYRMSA-N 0 3 264.325 2.331 20 5 CEBDHN CN(C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000268169056 276802754 /nfs/dbraw/zinc/80/27/54/276802754.db2.gz KTODXIYWVVIZSF-SECBINFHSA-N 0 3 284.747 2.174 20 5 CEBDHN COC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278911423 277600073 /nfs/dbraw/zinc/60/00/73/277600073.db2.gz ZJOXNVJXMSMLQY-UGFHNGPFSA-N 0 3 294.351 2.439 20 5 CEBDHN COc1cccc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000372189096 278016793 /nfs/dbraw/zinc/01/67/93/278016793.db2.gz VSUXYUPOXCXAEQ-WCQYABFASA-N 0 3 291.351 2.134 20 5 CEBDHN C[C@@H]1[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356979713 278079107 /nfs/dbraw/zinc/07/91/07/278079107.db2.gz FDVJLHYENYDHHK-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685729 278372614 /nfs/dbraw/zinc/37/26/14/278372614.db2.gz LKUHYIXTGKDSGQ-DGCLKSJQSA-N 0 3 275.352 2.482 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000247265605 288078977 /nfs/dbraw/zinc/07/89/77/288078977.db2.gz FHBCYDHFTUONLD-DGCLKSJQSA-N 0 3 291.351 2.007 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000262765895 280049395 /nfs/dbraw/zinc/04/93/95/280049395.db2.gz JEPYLBOKCINVPG-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C(C)C ZINC000151791147 281015675 /nfs/dbraw/zinc/01/56/75/281015675.db2.gz JMQZAJIHWHLPRW-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN CCC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721977 281082886 /nfs/dbraw/zinc/08/28/86/281082886.db2.gz JCBUBUBJGFKUKE-AWEZNQCLSA-N 0 3 291.351 2.213 20 5 CEBDHN C[C@H](SCCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000446563195 281765288 /nfs/dbraw/zinc/76/52/88/281765288.db2.gz FMQKFCFZUKENAJ-JTQLQIEISA-N 0 3 297.380 2.217 20 5 CEBDHN CC[C@@H](NC[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380389 290131365 /nfs/dbraw/zinc/13/13/65/290131365.db2.gz BJCBDRBWRWMIRJ-TZMCWYRMSA-N 0 3 291.351 2.162 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000364308489 290234395 /nfs/dbraw/zinc/23/43/95/290234395.db2.gz OSZBRTMARFCWST-SMDDNHRTSA-N 0 3 261.325 2.125 20 5 CEBDHN Cc1nc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000516492497 297595371 /nfs/dbraw/zinc/59/53/71/297595371.db2.gz LSNOGHHEFNRQEG-UHFFFAOYSA-N 0 3 274.324 2.267 20 5 CEBDHN Cn1ccc(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000521270250 297644487 /nfs/dbraw/zinc/64/44/87/297644487.db2.gz KIENQULXTMZGKA-AWEZNQCLSA-N 0 3 286.335 2.148 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)Cn1cncn1 ZINC000531963020 298126783 /nfs/dbraw/zinc/12/67/83/298126783.db2.gz WAQOTZZCBUBBPS-VXGBXAGGSA-N 0 3 289.339 2.234 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)Cn1cncn1 ZINC000531963018 298127035 /nfs/dbraw/zinc/12/70/35/298127035.db2.gz WAQOTZZCBUBBPS-NWDGAFQWSA-N 0 3 289.339 2.234 20 5 CEBDHN Cc1noc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539071197 298244277 /nfs/dbraw/zinc/24/42/77/298244277.db2.gz GSEXPOFVVVAFKJ-SNVBAGLBSA-N 0 3 290.323 2.488 20 5 CEBDHN CN1CCC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576153632 314247192 /nfs/dbraw/zinc/24/71/92/314247192.db2.gz CZOPVKJAEOKHMB-GFCCVEGCSA-N 0 3 290.367 2.375 20 5 CEBDHN CC(=O)c1ccc(N2CCC[C@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000061644757 518347806 /nfs/dbraw/zinc/34/78/06/518347806.db2.gz BEIGJNPSDKTOKQ-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000157247027 524909491 /nfs/dbraw/zinc/90/94/91/524909491.db2.gz GVGRYTWUNIZQAP-CHWSQXEVSA-N 0 3 291.351 2.178 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](CCO)C1 ZINC000051895573 527400073 /nfs/dbraw/zinc/40/00/73/527400073.db2.gz OCVNZAOHFFTDTE-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCCC12CCCC2 ZINC000365124517 527487960 /nfs/dbraw/zinc/48/79/60/527487960.db2.gz XWDUQMFHLXOGBD-UHFFFAOYSA-N 0 3 264.329 2.237 20 5 CEBDHN Cc1cc(C(=O)NCCN2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000742241090 575013366 /nfs/dbraw/zinc/01/33/66/575013366.db2.gz NGRVBOLDFSNCEM-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCCN1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000742425879 575021321 /nfs/dbraw/zinc/02/13/21/575021321.db2.gz PINZYKCXJBMOQG-SNVBAGLBSA-N 0 3 294.311 2.399 20 5 CEBDHN C[C@@H](N[C@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047935 575147340 /nfs/dbraw/zinc/14/73/40/575147340.db2.gz UHUFRZDVGDFWCP-BXKDBHETSA-N 0 3 250.298 2.016 20 5 CEBDHN CC(COC(=O)C12CC3CC(CC(C3)C1)C2)[N+](=O)[O-] ZINC000813113341 623061982 /nfs/dbraw/zinc/06/19/82/623061982.db2.gz YWAKCOFNPNWJOR-GVDDXCRBSA-N 0 3 267.325 2.411 20 5 CEBDHN CC(C)CN(CC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000071872201 624293414 /nfs/dbraw/zinc/29/34/14/624293414.db2.gz MSQKZXIXOXJHJV-UHFFFAOYSA-N 0 3 254.334 2.363 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)c2ccsc2)c1 ZINC000219099157 624939930 /nfs/dbraw/zinc/93/99/30/624939930.db2.gz SGDYXSYRWNAFGR-CYBMUJFWSA-N 0 3 278.333 2.480 20 5 CEBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000851036825 627356335 /nfs/dbraw/zinc/35/63/35/627356335.db2.gz NKWIUMJMDIBRQO-ZCFIWIBFSA-N 0 3 259.283 2.132 20 5 CEBDHN CN1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892665311 627367518 /nfs/dbraw/zinc/36/75/18/627367518.db2.gz LFCFCYSLVZRYOS-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN Cc1nc(C2CCC2)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000893043766 627964412 /nfs/dbraw/zinc/96/44/12/627964412.db2.gz CMQXHAILFOYYRV-QMMMGPOBSA-N 0 3 298.364 2.470 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928430738 629588179 /nfs/dbraw/zinc/58/81/79/629588179.db2.gz ITYGFTZWIIJFKB-WCQYABFASA-N 0 3 291.351 2.034 20 5 CEBDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894714980 629601425 /nfs/dbraw/zinc/60/14/25/629601425.db2.gz MTAYQCWEBLRSDH-KOLCDFICSA-N 0 3 280.324 2.445 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CS[C@H](C)C2)c1[N+](=O)[O-] ZINC000894904652 629745630 /nfs/dbraw/zinc/74/56/30/629745630.db2.gz UZBQTLOKBATIRI-PSASIEDQSA-N 0 3 298.364 2.293 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000895032506 629806195 /nfs/dbraw/zinc/80/61/95/629806195.db2.gz TWGVIJWDZXTSDM-JGPRNRPPSA-N 0 3 278.308 2.197 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H]1C ZINC000895737665 630327891 /nfs/dbraw/zinc/32/78/91/630327891.db2.gz QVFFMEPHXOWBMT-ZJUUUORDSA-N 0 3 265.313 2.108 20 5 CEBDHN COCC[C@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOC1 ZINC000801550812 631287505 /nfs/dbraw/zinc/28/75/05/631287505.db2.gz JWYLMBUXUPBBNU-AWEZNQCLSA-N 0 3 298.314 2.019 20 5 CEBDHN CCO[C@H](C)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101608 632620770 /nfs/dbraw/zinc/62/07/70/632620770.db2.gz FGZMHYMMAKZBAH-JGVFFNPUSA-N 0 3 288.325 2.063 20 5 CEBDHN CCC(CC)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101621 632621055 /nfs/dbraw/zinc/62/10/55/632621055.db2.gz FQOSQKPZBLUBLI-SECBINFHSA-N 0 3 269.301 2.066 20 5 CEBDHN CCCOc1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103127 632621824 /nfs/dbraw/zinc/62/18/24/632621824.db2.gz OFCOBPAAGNDEMV-LLVKDONJSA-N 0 3 297.307 2.063 20 5 CEBDHN CC(COC(=O)Cc1coc2cc(F)ccc12)[N+](=O)[O-] ZINC000813102889 632622143 /nfs/dbraw/zinc/62/21/43/632622143.db2.gz KZPLECKXLCWFDQ-QMMMGPOBSA-N 0 3 281.239 2.323 20 5 CEBDHN CC(COC(=O)C1(Cc2ccc(F)cc2)CC1)[N+](=O)[O-] ZINC000813105004 632622448 /nfs/dbraw/zinc/62/24/48/632622448.db2.gz JBIYZLAAFDQMII-JTQLQIEISA-N 0 3 281.283 2.357 20 5 CEBDHN CC(C)Oc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104274 632622562 /nfs/dbraw/zinc/62/25/62/632622562.db2.gz LJOSCXIMLWESPT-JTQLQIEISA-N 0 3 267.281 2.296 20 5 CEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108782 632625653 /nfs/dbraw/zinc/62/56/53/632625653.db2.gz LRMBPYYZTFMSHE-TTZKWOQHSA-N 0 3 294.263 2.207 20 5 CEBDHN CC(COC(=O)CO[C@@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813110872 632627186 /nfs/dbraw/zinc/62/71/86/632627186.db2.gz LGOPJEPQLAIHBQ-BXUZGUMPSA-N 0 3 293.319 2.289 20 5 CEBDHN Cc1cc(Cl)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115481 632629466 /nfs/dbraw/zinc/62/94/66/632629466.db2.gz SXQMWMQDZDDDOP-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCC[C@H]2F)c1 ZINC000819369800 634159885 /nfs/dbraw/zinc/15/98/85/634159885.db2.gz NSWBOMBQKABWQZ-MCIONIFRSA-N 0 3 282.315 2.499 20 5 CEBDHN C[C@]1(c2nc(Cc3ccccc3[N+](=O)[O-])no2)CCCN1 ZINC000904514586 635655911 /nfs/dbraw/zinc/65/59/11/635655911.db2.gz CVJAIGMJVXTCGF-CQSZACIVSA-N 0 3 288.307 2.167 20 5 CEBDHN Cc1ccc(SC[C@H](C)NCC[N+](=O)[O-])cc1 ZINC000905217033 636164730 /nfs/dbraw/zinc/16/47/30/636164730.db2.gz CCPNRTBSIDYJRT-NSHDSACASA-N 0 3 254.355 2.342 20 5 CEBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000905245176 636170107 /nfs/dbraw/zinc/17/01/07/636170107.db2.gz VEXSGDWXIZSCAA-UMSPYCQHSA-N 0 3 254.717 2.452 20 5 CEBDHN C[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000830172712 636999018 /nfs/dbraw/zinc/99/90/18/636999018.db2.gz HBTGOHVTVZUAIC-GWCFXTLKSA-N 0 3 290.319 2.341 20 5 CEBDHN COC[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616348 637621322 /nfs/dbraw/zinc/62/13/22/637621322.db2.gz WXZFDNYKULLRFH-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN COC[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616349 637621535 /nfs/dbraw/zinc/62/15/35/637621535.db2.gz WXZFDNYKULLRFH-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)o1)[N+](=O)[O-] ZINC000847714307 641748251 /nfs/dbraw/zinc/74/82/51/641748251.db2.gz PSKGVOQRTSFRFO-ZCFIWIBFSA-N 0 3 297.185 2.043 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H]2C[C@]2(CO)C1 ZINC000877462992 650730859 /nfs/dbraw/zinc/73/08/59/650730859.db2.gz XYKNFHUEJXDILL-SWLSCSKDSA-N 0 3 276.336 2.026 20 5 CEBDHN CC1(C)CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000890082652 642629337 /nfs/dbraw/zinc/62/93/37/642629337.db2.gz YFCKQKKVGHARCJ-UHFFFAOYSA-N 0 3 291.351 2.057 20 5 CEBDHN COC(=O)N(C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000850551971 642751750 /nfs/dbraw/zinc/75/17/50/642751750.db2.gz ZOIONBCZYJSXQL-NSHDSACASA-N 0 3 295.339 2.252 20 5 CEBDHN N[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852761560 643541685 /nfs/dbraw/zinc/54/16/85/643541685.db2.gz XDNYUVLVCLMYQA-GHMZBOCLSA-N 0 3 287.722 2.119 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CC(C)(C)O2)[N+](=O)[O-] ZINC000842801753 643847032 /nfs/dbraw/zinc/84/70/32/643847032.db2.gz KWMLOPDEVLJXLE-SECBINFHSA-N 0 3 279.292 2.222 20 5 CEBDHN O=[N+]([O-])c1cc(OCCN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000853740348 643883817 /nfs/dbraw/zinc/88/38/17/643883817.db2.gz VRAXXKZMDKNKQX-UHFFFAOYSA-N 0 3 295.295 2.368 20 5 CEBDHN C[C@H]1C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100871 644325130 /nfs/dbraw/zinc/32/51/30/644325130.db2.gz JJYIPGJNGIPVGB-STQMWFEESA-N 0 3 275.352 2.373 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000857028907 644791983 /nfs/dbraw/zinc/79/19/83/644791983.db2.gz GRYPFGTWLMXGLM-BNICOGTQSA-N 0 3 255.295 2.360 20 5 CEBDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000763023890 645490897 /nfs/dbraw/zinc/49/08/97/645490897.db2.gz HEFTXZZFKDEEFB-LLVKDONJSA-N 0 3 291.351 2.256 20 5 CEBDHN CN(CCOC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586354 647076154 /nfs/dbraw/zinc/07/61/54/647076154.db2.gz NBIJDOVEOPWTMD-AWEZNQCLSA-N 0 3 296.367 2.375 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000783918113 647777568 /nfs/dbraw/zinc/77/75/68/647777568.db2.gz OOUMEZHVKKAIOZ-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000788270464 648168122 /nfs/dbraw/zinc/16/81/22/648168122.db2.gz XMPWHZCULLCLJT-UHFFFAOYSA-N 0 3 272.732 2.453 20 5 CEBDHN CCCN(CC[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000791053679 648476536 /nfs/dbraw/zinc/47/65/36/648476536.db2.gz VUZMKRJIKBIEOT-NWDGAFQWSA-N 0 3 258.362 2.179 20 5 CEBDHN CC(COC(=O)[C@H](C)CC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000870376464 648789138 /nfs/dbraw/zinc/78/91/38/648789138.db2.gz KCLVOVKTLARVSF-ZJUUUORDSA-N 0 3 297.282 2.243 20 5 CEBDHN Cc1c(CN[C@H](C)CO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074108 649551356 /nfs/dbraw/zinc/55/13/56/649551356.db2.gz IXLMOJSQKQIMRC-RISCZKNCSA-N 0 3 294.351 2.187 20 5 CEBDHN COCC1(N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000880185830 651397292 /nfs/dbraw/zinc/39/72/92/651397292.db2.gz DXPVQKWBFVLLJM-CQSZACIVSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](CF)C2)cc1 ZINC000880237233 651406545 /nfs/dbraw/zinc/40/65/45/651406545.db2.gz UACPEASFLOVVFJ-FZMZJTMJSA-N 0 3 282.315 2.310 20 5 CEBDHN CC[C@@H]1COC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000699477222 807725006 /nfs/dbraw/zinc/72/50/06/807725006.db2.gz DZWRPXWWYNWAFT-PWSUYJOCSA-N 0 3 250.298 2.109 20 5 CEBDHN CC[C@H](C[C@H](C)O)NCc1csc([N+](=O)[O-])c1 ZINC000716858967 815147729 /nfs/dbraw/zinc/14/77/29/815147729.db2.gz ASJUSFNQEWPMIA-WCBMZHEXSA-N 0 3 258.343 2.295 20 5 CEBDHN C[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966058 811317102 /nfs/dbraw/zinc/31/71/02/811317102.db2.gz GAODEFUOSKNYPV-GUBZILKMSA-N 0 3 255.343 2.239 20 5 CEBDHN NCc1c(F)cccc1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967553 811318150 /nfs/dbraw/zinc/31/81/50/811318150.db2.gz QRJBNVZGDNSBKC-NXEZZACHSA-N 0 3 267.304 2.142 20 5 CEBDHN NCc1c(F)cccc1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168967556 811319373 /nfs/dbraw/zinc/31/93/73/811319373.db2.gz QRJBNVZGDNSBKC-ZJUUUORDSA-N 0 3 267.304 2.142 20 5 CEBDHN NCc1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975481 811323973 /nfs/dbraw/zinc/32/39/73/811323973.db2.gz VXQRGIPSCKQQMO-GHMZBOCLSA-N 0 3 274.324 2.113 20 5 CEBDHN CCOc1cc([N+](=O)[O-])ccc1-n1ccc([C@H](C)N)n1 ZINC001169233444 811447662 /nfs/dbraw/zinc/44/76/62/811447662.db2.gz QMKZIMJPWQJPQJ-VIFPVBQESA-N 0 3 276.296 2.199 20 5 CEBDHN CC(C)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123225388 815489559 /nfs/dbraw/zinc/48/95/59/815489559.db2.gz YWROHDKNGGMTEJ-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN CO[C@@H](C)C1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254564691 812485545 /nfs/dbraw/zinc/48/55/45/812485545.db2.gz MJWWEUIYOVWMEI-RYUDHWBXSA-N 0 3 278.352 2.493 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@H]1COC[C@@H]1F)CC2 ZINC001172908048 815540323 /nfs/dbraw/zinc/54/03/23/815540323.db2.gz WOMQCBRTCVAARS-AEGPPILISA-N 0 3 294.326 2.169 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C)[C@H](C)C1 ZINC001173232371 815632197 /nfs/dbraw/zinc/63/21/97/815632197.db2.gz FSXBVZNHWBYEPW-QWHCGFSZSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnccn1 ZINC001173213601 815637027 /nfs/dbraw/zinc/63/70/27/815637027.db2.gz JCWLDQPAIMRKPQ-LLVKDONJSA-N 0 3 272.308 2.106 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CCC3)C2)c(F)c1 ZINC001161177853 815686994 /nfs/dbraw/zinc/68/69/94/815686994.db2.gz VRMAJEZBESUKOW-VIFPVBQESA-N 0 3 280.303 2.168 20 5 CEBDHN COC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079933137 343994720 /nfs/dbraw/zinc/99/47/20/343994720.db2.gz VZRBEALYNHQYTM-UHFFFAOYSA-N 0 3 264.325 2.248 20 5 CEBDHN COC1CCN(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000080250007 344004506 /nfs/dbraw/zinc/00/45/06/344004506.db2.gz VDLRNWPAQUARFV-UHFFFAOYSA-N 0 3 279.340 2.118 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000125958701 365693911 /nfs/dbraw/zinc/69/39/11/365693911.db2.gz CYXUQQLRPNTSMB-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H](NC(=O)[C@@H]1C[C@H](C)CCN1)c1cccc([N+](=O)[O-])c1 ZINC000126503687 187244166 /nfs/dbraw/zinc/24/41/66/187244166.db2.gz BDXRYBJYZSDKDK-SUNKGSAMSA-N 0 3 291.351 2.160 20 5 CEBDHN O=[N+]([O-])c1ccccc1N1CCN(c2ccncc2)CC1 ZINC000007365423 343359118 /nfs/dbraw/zinc/35/91/18/343359118.db2.gz XQYPHOJXWGQEPS-UHFFFAOYSA-N 0 3 284.319 2.316 20 5 CEBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000027350765 343392718 /nfs/dbraw/zinc/39/27/18/343392718.db2.gz UDADSANDFHMNBO-NSHDSACASA-N 0 3 292.339 2.201 20 5 CEBDHN Cc1nn(C)c(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040675921 282261190 /nfs/dbraw/zinc/26/11/90/282261190.db2.gz XBXDHHWSCJPOBG-UHFFFAOYSA-N 0 3 288.351 2.277 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(CCCO)C2)c1 ZINC000295062034 199325356 /nfs/dbraw/zinc/32/53/56/199325356.db2.gz YVFWXEZJCAQDFX-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057178 344135200 /nfs/dbraw/zinc/13/52/00/344135200.db2.gz SQEMDSDVBWQJEQ-IAQYHMDHSA-N 0 3 294.351 2.033 20 5 CEBDHN CCN[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602448942 347037621 /nfs/dbraw/zinc/03/76/21/347037621.db2.gz WKCXJBVRPOVLTP-LBPRGKRZSA-N 0 3 293.367 2.330 20 5 CEBDHN Cc1n[nH]cc1CCCNCc1csc([N+](=O)[O-])c1 ZINC000050182839 362408501 /nfs/dbraw/zinc/40/85/01/362408501.db2.gz FPVAHOLBMMVHCZ-UHFFFAOYSA-N 0 3 280.353 2.410 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C1CCC1 ZINC000449741507 282348629 /nfs/dbraw/zinc/34/86/29/282348629.db2.gz VEDWBCJOMXYUHU-AWEZNQCLSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297622 362489798 /nfs/dbraw/zinc/48/97/98/362489798.db2.gz WZTLTUVUPNBFJV-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000280139795 344673408 /nfs/dbraw/zinc/67/34/08/344673408.db2.gz CZRXIOTZDHWTPR-BXUZGUMPSA-N 0 3 292.335 2.144 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561104 347077625 /nfs/dbraw/zinc/07/76/25/347077625.db2.gz COTLNPMAUNZUOS-AAEUAGOBSA-N 0 3 291.351 2.223 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000584705555 344978167 /nfs/dbraw/zinc/97/81/67/344978167.db2.gz KCXHLBOETOLJIG-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN CN1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000054241165 362520628 /nfs/dbraw/zinc/52/06/28/362520628.db2.gz IXSMQYYEXJRFNM-JTQLQIEISA-N 0 3 267.304 2.488 20 5 CEBDHN CN(C)CCN(c1ncc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000591160170 345226394 /nfs/dbraw/zinc/22/63/94/345226394.db2.gz ZRQGUJAICVOFAH-UHFFFAOYSA-N 0 3 296.346 2.440 20 5 CEBDHN Cc1sc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592248325 345340741 /nfs/dbraw/zinc/34/07/41/345340741.db2.gz YVVNFFYRZGDWCU-SNVBAGLBSA-N 0 3 297.380 2.035 20 5 CEBDHN CN(C)C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000097927570 232189009 /nfs/dbraw/zinc/18/90/09/232189009.db2.gz XMZRFRUJZIZKIV-UHFFFAOYSA-N 0 3 269.370 2.230 20 5 CEBDHN Cc1cccc(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000057713056 362594084 /nfs/dbraw/zinc/59/40/84/362594084.db2.gz GKGWVURQODMBFZ-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1c(CN(C[C@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594056214 345575880 /nfs/dbraw/zinc/57/58/80/345575880.db2.gz RYRXMUFAIBVIQA-JTQLQIEISA-N 0 3 264.325 2.248 20 5 CEBDHN CC[C@@](C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495750 345638246 /nfs/dbraw/zinc/63/82/46/345638246.db2.gz VERBIAFHJQLVSQ-TZMCWYRMSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@H](O)CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613150 345662003 /nfs/dbraw/zinc/66/20/03/345662003.db2.gz ABMDTWDMIOAGOZ-FUEXJSSKSA-N 0 3 276.336 2.453 20 5 CEBDHN CC[C@H](NC[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507504 345640354 /nfs/dbraw/zinc/64/03/54/345640354.db2.gz FNUHZHFHSXJKEI-UONOGXRCSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H](N[C@H](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595069913 345739480 /nfs/dbraw/zinc/73/94/80/345739480.db2.gz TVDXAZLKZLOOTJ-GHMZBOCLSA-N 0 3 264.325 2.406 20 5 CEBDHN CC[C@@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917039 345700615 /nfs/dbraw/zinc/70/06/15/345700615.db2.gz FYIKOZGVMALAHV-VXGBXAGGSA-N 0 3 280.324 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CC2(F)F)cc1 ZINC000594971132 345719843 /nfs/dbraw/zinc/71/98/43/345719843.db2.gz VWHOHBXBSDRBHR-LLVKDONJSA-N 0 3 272.251 2.109 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CCCO ZINC000595022263 345729757 /nfs/dbraw/zinc/72/97/57/345729757.db2.gz TTYPEGGJWTYELJ-GHMZBOCLSA-N 0 3 282.340 2.415 20 5 CEBDHN Cc1noc(CN2CCC[C@@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560338 345813861 /nfs/dbraw/zinc/81/38/61/345813861.db2.gz ARIALVDNRCCXCH-NWDGAFQWSA-N 0 3 295.339 2.282 20 5 CEBDHN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC000595407145 345775582 /nfs/dbraw/zinc/77/55/82/345775582.db2.gz HYTBEXRJQJIEFS-GHMZBOCLSA-N 0 3 281.331 2.258 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2C[C@H]2C1 ZINC000595808047 345880397 /nfs/dbraw/zinc/88/03/97/345880397.db2.gz KTFQLEQEXDTYRP-RYUDHWBXSA-N 0 3 262.309 2.315 20 5 CEBDHN CC[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CCCC1 ZINC000596074372 345933571 /nfs/dbraw/zinc/93/35/71/345933571.db2.gz SDNQHMIHMPJUCT-SNVBAGLBSA-N 0 3 298.774 2.351 20 5 CEBDHN Cc1cc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])s1 ZINC000596084603 345936124 /nfs/dbraw/zinc/93/61/24/345936124.db2.gz CYWBOOZXGOYUHV-UHFFFAOYSA-N 0 3 299.396 2.223 20 5 CEBDHN Cc1cc(NC[C@H]2CCN(C)C2)c([N+](=O)[O-])s1 ZINC000596112991 345942733 /nfs/dbraw/zinc/94/27/33/345942733.db2.gz YZBUAOFLIZVVMC-SECBINFHSA-N 0 3 255.343 2.328 20 5 CEBDHN O=c1[n-]ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596298132 345993771 /nfs/dbraw/zinc/99/37/71/345993771.db2.gz UQSBXJJWKZOILP-JQWIXIFHSA-N 0 3 292.339 2.124 20 5 CEBDHN O=c1[n-]ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596298132 345993773 /nfs/dbraw/zinc/99/37/73/345993773.db2.gz UQSBXJJWKZOILP-JQWIXIFHSA-N 0 3 292.339 2.124 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212601 346150348 /nfs/dbraw/zinc/15/03/48/346150348.db2.gz VVFDPXJZXGPCIO-HIFRSBDPSA-N 0 3 276.336 2.372 20 5 CEBDHN C[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000062351230 362717736 /nfs/dbraw/zinc/71/77/36/362717736.db2.gz LSBYOOXXPXCPGG-FZMZJTMJSA-N 0 3 264.325 2.360 20 5 CEBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645333 346391558 /nfs/dbraw/zinc/39/15/58/346391558.db2.gz GVIDSUITOYHWJB-YPMHNXCESA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1c([C@H](C)NC[C@H](O)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067241 346454930 /nfs/dbraw/zinc/45/49/30/346454930.db2.gz YEPVYUBANINLKD-CQDKDKBSSA-N 0 3 294.351 2.094 20 5 CEBDHN CN1CC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000599084481 346457853 /nfs/dbraw/zinc/45/78/53/346457853.db2.gz RZPRVBJPIYIZCC-DOMZBBRYSA-N 0 3 298.346 2.283 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)Cc2ccccc2)c1 ZINC000063218437 362762971 /nfs/dbraw/zinc/76/29/71/362762971.db2.gz QMURKYKISXKAQP-HNNXBMFYSA-N 0 3 286.331 2.288 20 5 CEBDHN CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2)[C@H]2CCO[C@@H]21 ZINC000085637848 179110132 /nfs/dbraw/zinc/11/01/32/179110132.db2.gz IVHZFXPYTKOKMX-MCIONIFRSA-N 0 3 276.336 2.498 20 5 CEBDHN Cc1ccc(CNCC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147755 346769213 /nfs/dbraw/zinc/76/92/13/346769213.db2.gz XBIDKQWZSNZALX-NSHDSACASA-N 0 3 274.267 2.009 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)CCC[C@@H]1C ZINC000602775310 347193686 /nfs/dbraw/zinc/19/36/86/347193686.db2.gz HHHGAGRVVKXFEF-PHIMTYICSA-N 0 3 266.345 2.363 20 5 CEBDHN CC[C@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982659 347265484 /nfs/dbraw/zinc/26/54/84/347265484.db2.gz WGDDDTVBXTYOSX-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN COCC[C@@H](COC)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829234 365892583 /nfs/dbraw/zinc/89/25/83/365892583.db2.gz BRUZDSXZISSRNC-YPMHNXCESA-N 0 3 282.340 2.297 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccsc1[N+](=O)[O-] ZINC000610160401 347662039 /nfs/dbraw/zinc/66/20/39/347662039.db2.gz LMQIWLRILSDPFU-SNVBAGLBSA-N 0 3 269.370 2.434 20 5 CEBDHN O=[N+]([O-])c1cnccc1N1CC[C@H](N2CCCCC2)C1 ZINC000609350946 347636247 /nfs/dbraw/zinc/63/62/47/347636247.db2.gz XXGONCCKZOQOLE-LBPRGKRZSA-N 0 3 276.340 2.054 20 5 CEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C)CN1 ZINC000086468325 179299883 /nfs/dbraw/zinc/29/98/83/179299883.db2.gz JYZMKSCTXNYKSP-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000612577403 347903869 /nfs/dbraw/zinc/90/38/69/347903869.db2.gz FCXXUEYIQURYBU-ZDUSSCGKSA-N 0 3 277.368 2.429 20 5 CEBDHN CCOC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000351896820 219241567 /nfs/dbraw/zinc/24/15/67/219241567.db2.gz XSSKVFGBULADOH-UHFFFAOYSA-N 0 3 292.335 2.336 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCOCC1 ZINC000086874336 179364909 /nfs/dbraw/zinc/36/49/09/179364909.db2.gz BRFIJANBGPNYEN-LBPRGKRZSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273382496 192133155 /nfs/dbraw/zinc/13/31/55/192133155.db2.gz MWWCNSPKEWZZLC-NSHDSACASA-N 0 3 290.323 2.058 20 5 CEBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273434723 192148082 /nfs/dbraw/zinc/14/80/82/192148082.db2.gz YFNLGXBKFPKCIQ-NSHDSACASA-N 0 3 290.323 2.058 20 5 CEBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000273485502 192170607 /nfs/dbraw/zinc/17/06/07/192170607.db2.gz VPUHGRHOHWMIOX-FZMZJTMJSA-N 0 3 264.325 2.106 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339617297 215270880 /nfs/dbraw/zinc/27/08/80/215270880.db2.gz ROIWIORMXQRKBI-TXEJJXNPSA-N 0 3 293.367 2.128 20 5 CEBDHN CC[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000619696328 349219354 /nfs/dbraw/zinc/21/93/54/349219354.db2.gz BGNDBERHUFGZMG-VIFPVBQESA-N 0 3 270.358 2.338 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCOC1 ZINC000619531151 349194442 /nfs/dbraw/zinc/19/44/42/349194442.db2.gz ZVICHEMRFDMWMF-GFCCVEGCSA-N 0 3 294.351 2.462 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104531219 186008586 /nfs/dbraw/zinc/00/85/86/186008586.db2.gz OYWJFRBSVTXVLW-UHFFFAOYSA-N 0 3 297.330 2.148 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091673273 180223841 /nfs/dbraw/zinc/22/38/41/180223841.db2.gz INULGBFYWMMHOB-NEPJUHHUSA-N 0 3 295.314 2.009 20 5 CEBDHN Cc1cc(NCCN2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000092026888 180308784 /nfs/dbraw/zinc/30/87/84/180308784.db2.gz LGTBNXMKJCEWKA-UHFFFAOYSA-N 0 3 278.356 2.442 20 5 CEBDHN CC(C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000106908642 186150310 /nfs/dbraw/zinc/15/03/10/186150310.db2.gz FITLRJFFFILWIW-SMDDNHRTSA-N 0 3 293.367 2.358 20 5 CEBDHN CC(C)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000106908645 186149461 /nfs/dbraw/zinc/14/94/61/186149461.db2.gz FITLRJFFFILWIW-RISCZKNCSA-N 0 3 293.367 2.358 20 5 CEBDHN COc1ccc(CN(C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107693673 186186278 /nfs/dbraw/zinc/18/62/78/186186278.db2.gz WHQLZEPXFIKEOM-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN CC[C@@H](NC[C@@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123177436 187076162 /nfs/dbraw/zinc/07/61/62/187076162.db2.gz CITZOJRSOVBZHX-CABCVRRESA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@H](NC[C@@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458981 191150419 /nfs/dbraw/zinc/15/04/19/191150419.db2.gz FSIAPDURRFKWCE-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN CNC(=O)CCCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000155337926 188199877 /nfs/dbraw/zinc/19/98/77/188199877.db2.gz LPXWKLZXJIHJOH-UHFFFAOYSA-N 0 3 299.758 2.206 20 5 CEBDHN COC1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000271678992 191273894 /nfs/dbraw/zinc/27/38/94/191273894.db2.gz CDZYDCPTKKMBDY-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN CN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000157733277 188335430 /nfs/dbraw/zinc/33/54/30/188335430.db2.gz HSTXIQXYPIEFJO-UHFFFAOYSA-N 0 3 276.292 2.279 20 5 CEBDHN C[C@@]1(F)CNCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000573549771 314166089 /nfs/dbraw/zinc/16/60/89/314166089.db2.gz ZZCJVQTWAWFFAO-GFCCVEGCSA-N 0 3 287.722 2.386 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](O)C1 ZINC000452101026 283187598 /nfs/dbraw/zinc/18/75/98/283187598.db2.gz RJYBNWXBKKBBFR-JTNHKYCSSA-N 0 3 264.325 2.359 20 5 CEBDHN COc1cccc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000134904299 366370848 /nfs/dbraw/zinc/37/08/48/366370848.db2.gz CFRGNYIROKVVLJ-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN C[C@@H](N[C@@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469278 199052478 /nfs/dbraw/zinc/05/24/78/199052478.db2.gz WNPJUXUVUKPBBX-MWLCHTKSSA-N 0 3 265.313 2.007 20 5 CEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN(C3CC3)C2)c(F)c1 ZINC000577707397 366384850 /nfs/dbraw/zinc/38/48/50/366384850.db2.gz FGSLWYJJJWLPNZ-VIFPVBQESA-N 0 3 280.303 2.025 20 5 CEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2C[C@@H](O)C2)o1 ZINC000294850779 199213019 /nfs/dbraw/zinc/21/30/19/199213019.db2.gz NLVMJZVEKYWYBY-PHIMTYICSA-N 0 3 288.303 2.468 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccccc3)CC2)c1 ZINC000341637858 216044751 /nfs/dbraw/zinc/04/47/51/216044751.db2.gz JYFSVFBZQDJULR-UHFFFAOYSA-N 0 3 272.308 2.070 20 5 CEBDHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484475 366589069 /nfs/dbraw/zinc/58/90/69/366589069.db2.gz KYRCECLEBXAOLL-JBLDHEPKSA-N 0 3 250.298 2.423 20 5 CEBDHN COC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183382652 189357348 /nfs/dbraw/zinc/35/73/48/189357348.db2.gz SJMIBQRGWHQNDD-OAHLLOKOSA-N 0 3 292.335 2.288 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061726 363795109 /nfs/dbraw/zinc/79/51/09/363795109.db2.gz KQMFSVCZSYHIHA-WCQYABFASA-N 0 3 291.351 2.175 20 5 CEBDHN C[C@@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000090795020 364063413 /nfs/dbraw/zinc/06/34/13/364063413.db2.gz FRNOYEBXEYGSFQ-RKDXNWHRSA-N 0 3 295.368 2.199 20 5 CEBDHN COc1ccc(CN2CCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000159210386 366889699 /nfs/dbraw/zinc/88/96/99/366889699.db2.gz GYIDNWCYJYTERA-AAEUAGOBSA-N 0 3 294.351 2.339 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000582608513 366934329 /nfs/dbraw/zinc/93/43/29/366934329.db2.gz ISESHLIUDUMKNC-SMDDNHRTSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341204052 367219201 /nfs/dbraw/zinc/21/92/01/367219201.db2.gz OZDGQHZCVBYSMF-ZYHUDNBSSA-N 0 3 292.339 2.199 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCNc1ccncc1[N+](=O)[O-] ZINC000341135718 367188904 /nfs/dbraw/zinc/18/89/04/367188904.db2.gz YPQWYXIMIYDTME-RYUDHWBXSA-N 0 3 278.356 2.087 20 5 CEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170764257 367408282 /nfs/dbraw/zinc/40/82/82/367408282.db2.gz QXDRRRIVYOLZKJ-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1ccc(CN(CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000275885000 193155045 /nfs/dbraw/zinc/15/50/45/193155045.db2.gz BKNXSUPGTCSKFO-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN COCCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245361 368001313 /nfs/dbraw/zinc/00/13/13/368001313.db2.gz HCCQFPZQTRWYAK-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@H]3CCCC[C@@H]32)n1 ZINC000177207276 368262956 /nfs/dbraw/zinc/26/29/56/368262956.db2.gz KTTUIQQLDPOLFH-RYUDHWBXSA-N 0 3 296.396 2.151 20 5 CEBDHN CCOC(=O)C[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000182644598 368574262 /nfs/dbraw/zinc/57/42/62/368574262.db2.gz ZPTSJQIATJSJAB-NSHDSACASA-N 0 3 280.324 2.368 20 5 CEBDHN CN(C)CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349142758 369249620 /nfs/dbraw/zinc/24/96/20/369249620.db2.gz KHGNDLBVUBRJDI-UHFFFAOYSA-N 0 3 260.297 2.020 20 5 CEBDHN Cc1ccc(CNCC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349314753 369296184 /nfs/dbraw/zinc/29/61/84/369296184.db2.gz JKHQTZZLNUMGRL-LLVKDONJSA-N 0 3 292.257 2.306 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](O)C1 ZINC000349383963 369316429 /nfs/dbraw/zinc/31/64/29/369316429.db2.gz NOKLUDYELQIIKX-IINYFYTJSA-N 0 3 264.325 2.106 20 5 CEBDHN CN1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000349737544 369382293 /nfs/dbraw/zinc/38/22/93/369382293.db2.gz HZVURYMVUSDKNF-SNVBAGLBSA-N 0 3 274.280 2.064 20 5 CEBDHN C/C=C\C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000349850600 369422366 /nfs/dbraw/zinc/42/23/66/369422366.db2.gz LWPZDMRCHHUOAV-DLGQBQFBSA-N 0 3 250.298 2.012 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(CCO)CC1CC1 ZINC000352484408 369751653 /nfs/dbraw/zinc/75/16/53/369751653.db2.gz OUOFOCSZXHRZNV-NSHDSACASA-N 0 3 264.325 2.360 20 5 CEBDHN Nc1ccc([N+](=O)[O-])c(NCCN2CCCCCC2)c1 ZINC000192775813 369851639 /nfs/dbraw/zinc/85/16/39/369851639.db2.gz BPGAXBUPVCQOEW-UHFFFAOYSA-N 0 3 278.356 2.465 20 5 CEBDHN CC(C)[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000352880862 369928892 /nfs/dbraw/zinc/92/88/92/369928892.db2.gz IRLCCHYBCNXHEC-ZDUSSCGKSA-N 0 3 270.304 2.231 20 5 CEBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000193495846 369948286 /nfs/dbraw/zinc/94/82/86/369948286.db2.gz ICMUOKOOQIWFSI-CMPLNLGQSA-N 0 3 278.308 2.026 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000194631034 370059975 /nfs/dbraw/zinc/05/99/75/370059975.db2.gz MHULVIHAOFBFHT-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889800 370228229 /nfs/dbraw/zinc/22/82/29/370228229.db2.gz WYFLWYDSIGQTRC-WPRPVWTQSA-N 0 3 256.327 2.313 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889760 370228456 /nfs/dbraw/zinc/22/84/56/370228456.db2.gz WYFLWYDSIGQTRC-SCZZXKLOSA-N 0 3 256.327 2.313 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000223243656 370262236 /nfs/dbraw/zinc/26/22/36/370262236.db2.gz YXTXEJSNFGZOLH-UHFFFAOYSA-N 0 3 252.314 2.234 20 5 CEBDHN CN1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225588109 370305424 /nfs/dbraw/zinc/30/54/24/370305424.db2.gz OMWJBKFAYJTZNM-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN CC1(C)[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000227072303 370357733 /nfs/dbraw/zinc/35/77/33/370357733.db2.gz WYEUGNKQPSCCLN-MRVWCRGKSA-N 0 3 276.336 2.498 20 5 CEBDHN Cc1ccnc(NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000227116187 370360484 /nfs/dbraw/zinc/36/04/84/370360484.db2.gz UXJARFYREPHHLE-JTQLQIEISA-N 0 3 264.329 2.193 20 5 CEBDHN CCN(CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000227550092 370373703 /nfs/dbraw/zinc/37/37/03/370373703.db2.gz HYHXBQNXZIXOBM-UHFFFAOYSA-N 0 3 294.311 2.399 20 5 CEBDHN C[C@@H](NCCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228031384 370393215 /nfs/dbraw/zinc/39/32/15/370393215.db2.gz JCNHYSMDRYUHOQ-WDEREUQCSA-N 0 3 252.314 2.406 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCSC1 ZINC000226378618 370338709 /nfs/dbraw/zinc/33/87/09/370338709.db2.gz LRILKAHVWFTIGV-SNVBAGLBSA-N 0 3 282.365 2.446 20 5 CEBDHN COC[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000354696402 370468447 /nfs/dbraw/zinc/46/84/47/370468447.db2.gz BSKXCIPYPGRINR-JPVGGKMYSA-N 0 3 250.298 2.233 20 5 CEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247531835 371121078 /nfs/dbraw/zinc/12/10/78/371121078.db2.gz ZYDDXHMZOADURY-SMDDNHRTSA-N 0 3 291.351 2.053 20 5 CEBDHN C[C@@H](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N(C)C ZINC000358765249 371211125 /nfs/dbraw/zinc/21/11/25/371211125.db2.gz FBJKODDAIJOYTP-NSHDSACASA-N 0 3 274.324 2.408 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@@H]1O ZINC000359121976 371345328 /nfs/dbraw/zinc/34/53/28/371345328.db2.gz FUARYOMJUBGPNS-KGLIPLIRSA-N 0 3 264.325 2.296 20 5 CEBDHN CO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000251782600 371416654 /nfs/dbraw/zinc/41/66/54/371416654.db2.gz LLRPSOPMFQNOKM-SWLSCSKDSA-N 0 3 294.351 2.330 20 5 CEBDHN CC1(C)[C@H](O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361080786 371640374 /nfs/dbraw/zinc/64/03/74/371640374.db2.gz MBYWSRNMNGSCCY-BRLPQQTGSA-N 0 3 276.336 2.453 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361152193 371683570 /nfs/dbraw/zinc/68/35/70/371683570.db2.gz HFJADDIHGJRQEW-QWHCGFSZSA-N 0 3 277.368 2.428 20 5 CEBDHN Cc1nc(N[C@@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268529367 372127069 /nfs/dbraw/zinc/12/70/69/372127069.db2.gz WSVJLANQBQNSJD-LLVKDONJSA-N 0 3 264.329 2.193 20 5 CEBDHN CC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268740639 372203962 /nfs/dbraw/zinc/20/39/62/372203962.db2.gz XWJUVNCNUYMUSN-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN CC(C)(C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269225942 372386559 /nfs/dbraw/zinc/38/65/59/372386559.db2.gz FBQKNUYHRNEIIX-LLVKDONJSA-N 0 3 299.758 2.238 20 5 CEBDHN C[C@H]1CCN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353436567 220082026 /nfs/dbraw/zinc/08/20/26/220082026.db2.gz PHSLWJCAUHCYPI-JTQLQIEISA-N 0 3 269.370 2.182 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN3CCC2CC3)c1 ZINC000344799949 217316467 /nfs/dbraw/zinc/31/64/67/217316467.db2.gz UREUKRDCQBOVCC-UHFFFAOYSA-N 0 3 261.325 2.188 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000271071897 373104377 /nfs/dbraw/zinc/10/43/77/373104377.db2.gz FNHNITYQRKIHES-ZJUUUORDSA-N 0 3 268.313 2.025 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268942062 220226189 /nfs/dbraw/zinc/22/61/89/220226189.db2.gz PRVZUWOTFRDIRO-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@]23CCOC3)cc1 ZINC000370742709 373734891 /nfs/dbraw/zinc/73/48/91/373734891.db2.gz WVBGAAONCIWWMD-OAHLLOKOSA-N 0 3 276.336 2.392 20 5 CEBDHN C[C@H](NCCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000274425449 373918023 /nfs/dbraw/zinc/91/80/23/373918023.db2.gz FTIGMAQAOOBGQB-JTQLQIEISA-N 0 3 266.297 2.008 20 5 CEBDHN CN(C)CCN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276694768 374268649 /nfs/dbraw/zinc/26/86/49/374268649.db2.gz WPVLIOBCMLXZMV-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000277966562 374695471 /nfs/dbraw/zinc/69/54/71/374695471.db2.gz SJSGRZMPSLMHLL-NOZJJQNGSA-N 0 3 268.288 2.249 20 5 CEBDHN CC[C@@H](NC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567718 375188840 /nfs/dbraw/zinc/18/88/40/375188840.db2.gz OTLJURANKVEYHR-ZIAGYGMSSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1ccc([C@H](C)NCC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311357 375454698 /nfs/dbraw/zinc/45/46/98/375454698.db2.gz MZNFXTGRUUFONX-YBTHPKLGSA-N 0 3 296.392 2.465 20 5 CEBDHN C[C@H](NCCC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284080611 375805970 /nfs/dbraw/zinc/80/59/70/375805970.db2.gz NMWUYTURGCAMIW-JTQLQIEISA-N 0 3 279.340 2.133 20 5 CEBDHN CO[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995720 375793305 /nfs/dbraw/zinc/79/33/05/375793305.db2.gz HOJOBAKNBKXYAN-YGRLFVJLSA-N 0 3 281.356 2.499 20 5 CEBDHN C[C@H](NCC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287425142 376229385 /nfs/dbraw/zinc/22/93/85/376229385.db2.gz SMBOQHFWZDUEPQ-NSHDSACASA-N 0 3 282.340 2.033 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCCN1C ZINC000421005982 376782411 /nfs/dbraw/zinc/78/24/11/376782411.db2.gz VREFLWSMYZZLLD-AWEZNQCLSA-N 0 3 293.367 2.129 20 5 CEBDHN CC(C)[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563898805 377316965 /nfs/dbraw/zinc/31/69/65/377316965.db2.gz RJIDACONJGLJRJ-CHWSQXEVSA-N 0 3 264.325 2.189 20 5 CEBDHN CC[C@@H](NCc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000293022919 377396489 /nfs/dbraw/zinc/39/64/89/377396489.db2.gz OZVIADCFXGBWBT-SECBINFHSA-N 0 3 258.343 2.295 20 5 CEBDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000293056816 377410165 /nfs/dbraw/zinc/41/01/65/377410165.db2.gz RZQXVOCDUXKTPP-BXUZGUMPSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332238391 377548349 /nfs/dbraw/zinc/54/83/49/377548349.db2.gz OMGBTPVEUSRKLH-FPMFFAJLSA-N 0 3 276.336 2.188 20 5 CEBDHN CN1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000566149547 377736125 /nfs/dbraw/zinc/73/61/25/377736125.db2.gz PMCLBWJOYVGELX-UHFFFAOYSA-N 0 3 290.367 2.375 20 5 CEBDHN CCN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432318534 377742564 /nfs/dbraw/zinc/74/25/64/377742564.db2.gz BYXXFCWXYINGSI-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN COC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659506 378002687 /nfs/dbraw/zinc/00/26/87/378002687.db2.gz HFRRIRCMJNFQGN-ZANVPECISA-N 0 3 279.340 2.253 20 5 CEBDHN CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000266052302 190226747 /nfs/dbraw/zinc/22/67/47/190226747.db2.gz XEXJBEOFYPVSPO-LLVKDONJSA-N 0 3 267.304 2.264 20 5 CEBDHN C[C@H]1CCN(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450332608 378359616 /nfs/dbraw/zinc/35/96/16/378359616.db2.gz VCDVSQNZFBUBOU-JTQLQIEISA-N 0 3 289.339 2.002 20 5 CEBDHN CN(C)CCN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450361978 378374952 /nfs/dbraw/zinc/37/49/52/378374952.db2.gz DOMAIGDNDFUYGB-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN Cc1cc(N(C)[C@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450950968 378657876 /nfs/dbraw/zinc/65/78/76/378657876.db2.gz FCRXSIRNSRWNEW-LBPRGKRZSA-N 0 3 278.356 2.217 20 5 CEBDHN CC(C)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298747959 378820345 /nfs/dbraw/zinc/82/03/45/378820345.db2.gz LTIFPTHQZCBXNT-UHFFFAOYSA-N 0 3 277.368 2.163 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCSC3)nc2c1 ZINC000278607586 194066669 /nfs/dbraw/zinc/06/66/69/194066669.db2.gz GIHOBSINOUNMKG-QMMMGPOBSA-N 0 3 278.337 2.066 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CO)C1 ZINC000347360880 218204313 /nfs/dbraw/zinc/20/43/13/218204313.db2.gz PATAYSNHRQORIM-GMMCIKNFSA-N 0 3 276.336 2.312 20 5 CEBDHN COC(C)(C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000302498569 379384552 /nfs/dbraw/zinc/38/45/52/379384552.db2.gz TWHOHBYRNAWMIP-SNVBAGLBSA-N 0 3 252.314 2.498 20 5 CEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000457026929 379632093 /nfs/dbraw/zinc/63/20/93/379632093.db2.gz IKSGYQZOUSKAQP-UHFFFAOYSA-N 0 3 297.380 2.261 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CCCSC2)c([N+](=O)[O-])cc1[O-] ZINC000267148025 190306709 /nfs/dbraw/zinc/30/67/09/190306709.db2.gz BNINULWJXFMDDU-SNVBAGLBSA-N 0 3 298.364 2.294 20 5 CEBDHN C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000305151762 379662907 /nfs/dbraw/zinc/66/29/07/379662907.db2.gz AJNFTYQFYBNPLU-WFASDCNBSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1c(CN2CCC[C@@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000305177249 379673078 /nfs/dbraw/zinc/67/30/78/379673078.db2.gz LZWSKRKHTHBEKR-IAQYHMDHSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)n1 ZINC000542864029 380319456 /nfs/dbraw/zinc/31/94/56/380319456.db2.gz CNRHOGGFYKIZPM-GFCCVEGCSA-N 0 3 278.356 2.360 20 5 CEBDHN CO[C@@]1(C)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235345 194345761 /nfs/dbraw/zinc/34/57/61/194345761.db2.gz FFSIAEVOWHYFQR-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@H]1C[C@@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000289062848 197224986 /nfs/dbraw/zinc/22/49/86/197224986.db2.gz RJKVBUJGZCAREF-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN CCC[C@](C)(N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261539173 131150841 /nfs/dbraw/zinc/15/08/41/131150841.db2.gz XAQNRGZWDPLPON-LBPRGKRZSA-N 0 3 251.286 2.051 20 5 CEBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000302000818 394470314 /nfs/dbraw/zinc/47/03/14/394470314.db2.gz IYTCFXPJUCORGU-UHFFFAOYSA-N 0 3 298.346 2.407 20 5 CEBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000413056111 394475974 /nfs/dbraw/zinc/47/59/74/394475974.db2.gz TYFOASQTRORXND-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN CC(C)N1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413325872 394527930 /nfs/dbraw/zinc/52/79/30/394527930.db2.gz UVGWHLRNPRAJNI-SNVBAGLBSA-N 0 3 282.319 2.048 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(O)C1 ZINC000267294439 394676066 /nfs/dbraw/zinc/67/60/66/394676066.db2.gz AQOWPBIAMKUSRA-GXFFZTMASA-N 0 3 250.298 2.113 20 5 CEBDHN Cc1cnc(N(C)[C@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268109718 394689939 /nfs/dbraw/zinc/68/99/39/394689939.db2.gz CBVQRBSWIKXJBO-NEPJUHHUSA-N 0 3 278.356 2.075 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414112199 394705954 /nfs/dbraw/zinc/70/59/54/394705954.db2.gz MWXOTSFZCRPZFL-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](CO)C1 ZINC000272285832 394770423 /nfs/dbraw/zinc/77/04/23/394770423.db2.gz GBYIJKSYMFOOKQ-VXGBXAGGSA-N 0 3 264.325 2.278 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000361163640 394818701 /nfs/dbraw/zinc/81/87/01/394818701.db2.gz BMGVPXNSLYUTJE-QWHCGFSZSA-N 0 3 277.368 2.428 20 5 CEBDHN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375040762 395090084 /nfs/dbraw/zinc/09/00/84/395090084.db2.gz PIJDTSHFDANHDA-CABZTGNLSA-N 0 3 296.758 2.174 20 5 CEBDHN CO[C@](C)(CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291015264 395120355 /nfs/dbraw/zinc/12/03/55/395120355.db2.gz FRNHVNMPQUJBJT-CQSZACIVSA-N 0 3 264.325 2.500 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)C(F)F)CCC2 ZINC000436282598 395104702 /nfs/dbraw/zinc/10/47/02/395104702.db2.gz HQWKZQPYERSNCH-NEPJUHHUSA-N 0 3 286.278 2.188 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c(F)c1 ZINC000438908358 395236090 /nfs/dbraw/zinc/23/60/90/395236090.db2.gz UTUYZXNQMKOZBQ-YUTCNCBUSA-N 0 3 280.299 2.391 20 5 CEBDHN CCC[C@@](C)(O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596139 395241666 /nfs/dbraw/zinc/24/16/66/395241666.db2.gz FTEGCNOLFJWCTK-QMTHXVAHSA-N 0 3 281.356 2.379 20 5 CEBDHN C[C@H]1CCN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353432166 395296889 /nfs/dbraw/zinc/29/68/89/395296889.db2.gz BAHWGYLEXSNLMC-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c([N+](=O)[O-])ncn1C ZINC000408310343 395297649 /nfs/dbraw/zinc/29/76/49/395297649.db2.gz RKZNIFKJGNMHQN-WOPDTQHZSA-N 0 3 278.356 2.481 20 5 CEBDHN CN1CC[C@@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000187681599 395303856 /nfs/dbraw/zinc/30/38/56/395303856.db2.gz MSDQRYVCNFXVRV-SECBINFHSA-N 0 3 253.327 2.034 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC[C@@H](C)C1 ZINC000192498296 395385139 /nfs/dbraw/zinc/38/51/39/395385139.db2.gz FNJGTPSSTWFTDL-LLVKDONJSA-N 0 3 295.387 2.263 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420645054 395400991 /nfs/dbraw/zinc/40/09/91/395400991.db2.gz ZUFRDSLTUGZTBY-LLVKDONJSA-N 0 3 290.367 2.093 20 5 CEBDHN C[C@H]1CCC[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355340767 395415195 /nfs/dbraw/zinc/41/51/95/395415195.db2.gz WXWZAWMXLDTUGU-QWRGUYRKSA-N 0 3 266.345 2.339 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000565474722 395472647 /nfs/dbraw/zinc/47/26/47/395472647.db2.gz WDSLZEZNMLFCJE-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN Cc1c(CN(C)CCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000568713019 395566940 /nfs/dbraw/zinc/56/69/40/395566940.db2.gz NNSMYHOVBXWMBK-UHFFFAOYSA-N 0 3 288.351 2.311 20 5 CEBDHN C[C@H]1OCC[C@@]1(C)NCc1cccc([N+](=O)[O-])c1 ZINC000230151796 153379568 /nfs/dbraw/zinc/37/95/68/153379568.db2.gz BQEDCEQKEIEFBR-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN COc1ccc(CN[C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000230153260 153385462 /nfs/dbraw/zinc/38/54/62/153385462.db2.gz VIOCJEWEBOXERW-YGRLFVJLSA-N 0 3 280.324 2.261 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCN1C ZINC000313347647 154208082 /nfs/dbraw/zinc/20/80/82/154208082.db2.gz NBSBMPXOHOINLW-ZDUSSCGKSA-N 0 3 281.331 2.260 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](CC(N)=O)C1 ZINC000367310021 156166143 /nfs/dbraw/zinc/16/61/43/156166143.db2.gz ZXLZUOJOZOFAEP-NWDGAFQWSA-N 0 3 291.351 2.162 20 5 CEBDHN COc1cc(N2CCCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000174708761 165115766 /nfs/dbraw/zinc/11/57/66/165115766.db2.gz VRRCOZGHKDNFBG-UHFFFAOYSA-N 0 3 291.351 2.278 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000177206249 165188175 /nfs/dbraw/zinc/18/81/75/165188175.db2.gz QKJXKNAAWCYVEV-QWHCGFSZSA-N 0 3 296.396 2.151 20 5 CEBDHN C/C=C/C[C@@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026640 196181516 /nfs/dbraw/zinc/18/15/16/196181516.db2.gz HOTQNOMRMCNNKF-BMPPAVAUSA-N 0 3 279.340 2.155 20 5 CEBDHN Cc1ccc(CN[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000035272288 172092920 /nfs/dbraw/zinc/09/29/20/172092920.db2.gz YBZBCQGTUCGDLH-LBPRGKRZSA-N 0 3 274.324 2.278 20 5 CEBDHN Cc1ccc(CN[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000035275289 172095161 /nfs/dbraw/zinc/09/51/61/172095161.db2.gz BTBOTILHIVQJIA-GFCCVEGCSA-N 0 3 274.324 2.278 20 5 CEBDHN CO[C@H]1C[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000285490364 196302351 /nfs/dbraw/zinc/30/23/51/196302351.db2.gz WRCQHQXBFMFENF-XBXGTLAGSA-N 0 3 280.324 2.083 20 5 CEBDHN CC[C@@H](NCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044694024 175234974 /nfs/dbraw/zinc/23/49/74/175234974.db2.gz CSGKHTQNDMUJAV-CQSZACIVSA-N 0 3 282.340 2.299 20 5 CEBDHN CCCNC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045072376 175302021 /nfs/dbraw/zinc/30/20/21/175302021.db2.gz BPZLHYCVKGTDSZ-LLVKDONJSA-N 0 3 279.340 2.162 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2CCO)c1 ZINC000078497900 177347702 /nfs/dbraw/zinc/34/77/02/177347702.db2.gz STCJPFYQSHXGNX-ZDUSSCGKSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(CCO)CC1 ZINC000189993327 270265980 /nfs/dbraw/zinc/26/59/80/270265980.db2.gz XIIFVRZQWZMBTF-UHFFFAOYSA-N 0 3 264.325 2.155 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000423589585 270926838 /nfs/dbraw/zinc/92/68/38/270926838.db2.gz AGNOIMOMTGPRFL-NWDGAFQWSA-N 0 3 291.351 2.034 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551621 271168386 /nfs/dbraw/zinc/16/83/86/271168386.db2.gz QNFFAVOFDOOUOI-ZYHUDNBSSA-N 0 3 287.323 2.263 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425977936 271193198 /nfs/dbraw/zinc/19/31/98/271193198.db2.gz NLZHJRLXVYLZQM-FAQJLRJSSA-N 0 3 276.336 2.311 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000328467592 275881269 /nfs/dbraw/zinc/88/12/69/275881269.db2.gz XXDWSUWMMTTYBD-LBPRGKRZSA-N 0 3 250.298 2.252 20 5 CEBDHN CNC(=O)[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000111268116 277012631 /nfs/dbraw/zinc/01/26/31/277012631.db2.gz XFCOGUVPXSTYAB-YPMHNXCESA-N 0 3 291.351 2.114 20 5 CEBDHN C[C@@H](NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177002 278354552 /nfs/dbraw/zinc/35/45/52/278354552.db2.gz ZLTXUHOMVFKIGR-ZWNOBZJWSA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1cnc(N2CC[C@@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286325666 279016030 /nfs/dbraw/zinc/01/60/30/279016030.db2.gz HOAFFEAPOHTPAU-QWHCGFSZSA-N 0 3 290.367 2.361 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CSCCN(C)C ZINC000157809893 289222455 /nfs/dbraw/zinc/22/24/55/289222455.db2.gz MEEGEGLSYXBUKD-UHFFFAOYSA-N 0 3 297.380 2.137 20 5 CEBDHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242794 290055789 /nfs/dbraw/zinc/05/57/89/290055789.db2.gz BRHSFPZLXXZJCQ-CWSCBRNRSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1cc(F)ccc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000487960863 290369866 /nfs/dbraw/zinc/36/98/66/290369866.db2.gz GDCULPGXABRZSW-UHFFFAOYSA-N 0 3 292.314 2.371 20 5 CEBDHN CC1(C)[C@H](O)C[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269765 297644560 /nfs/dbraw/zinc/64/45/60/297644560.db2.gz DXVGFDIITWFZHA-MRVWCRGKSA-N 0 3 276.336 2.331 20 5 CEBDHN CC(=O)N1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159157 298263584 /nfs/dbraw/zinc/26/35/84/298263584.db2.gz XTBVZENXUUPBCC-AAEUAGOBSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(C2CC2)CC1 ZINC000541594912 298280962 /nfs/dbraw/zinc/28/09/62/298280962.db2.gz LUNWBRPLRNGIAI-UHFFFAOYSA-N 0 3 289.335 2.374 20 5 CEBDHN CN(C(=O)CNC1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000542524042 298291667 /nfs/dbraw/zinc/29/16/67/298291667.db2.gz HMLWXZQFRLBQFF-UHFFFAOYSA-N 0 3 289.335 2.090 20 5 CEBDHN CO[C@]1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184311 298328869 /nfs/dbraw/zinc/32/88/69/298328869.db2.gz NXJPXLYINNWCGQ-WFASDCNBSA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@](O)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581176 314097822 /nfs/dbraw/zinc/09/78/22/314097822.db2.gz JMBSJKRDZYXYRX-ZFWWWQNUSA-N 0 3 276.336 2.333 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)C1CCC1 ZINC000576886378 314320541 /nfs/dbraw/zinc/32/05/41/314320541.db2.gz KIUCKSMYSYETIQ-UKRRQHHQSA-N 0 3 276.336 2.333 20 5 CEBDHN CC[C@H](NC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567712 321841996 /nfs/dbraw/zinc/84/19/96/321841996.db2.gz OTLJURANKVEYHR-KBPBESRZSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)CN1 ZINC000584520290 329509955 /nfs/dbraw/zinc/50/99/55/329509955.db2.gz NVWAGKJCTJUFRA-GHMZBOCLSA-N 0 3 286.335 2.330 20 5 CEBDHN CCOCC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736653 520067618 /nfs/dbraw/zinc/06/76/18/520067618.db2.gz LLNCDYGTCMSALR-FZMZJTMJSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1nc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412024900 534579472 /nfs/dbraw/zinc/57/94/72/534579472.db2.gz GCNHKHLYYFPSMH-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412024900 534579480 /nfs/dbraw/zinc/57/94/80/534579480.db2.gz GCNHKHLYYFPSMH-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nnc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412024900 534579484 /nfs/dbraw/zinc/57/94/84/534579484.db2.gz GCNHKHLYYFPSMH-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000363451728 527386483 /nfs/dbraw/zinc/38/64/83/527386483.db2.gz WWONRQGRBGWIGS-ZIAGYGMSSA-N 0 3 276.336 2.453 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCOCC(F)(F)F)c1 ZINC000055385947 527386969 /nfs/dbraw/zinc/38/69/69/527386969.db2.gz SMECFKFOTXDQMG-UHFFFAOYSA-N 0 3 278.230 2.263 20 5 CEBDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350729 527711936 /nfs/dbraw/zinc/71/19/36/527711936.db2.gz USUPCKPAWKXBCN-RYUDHWBXSA-N 0 3 293.367 2.029 20 5 CEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500469 574596985 /nfs/dbraw/zinc/59/69/85/574596985.db2.gz HDMAIQOMHHPBPF-ZDUSSCGKSA-N 0 3 297.330 2.050 20 5 CEBDHN Cc1cc(C(=O)N[C@@H](CN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733165444 574647032 /nfs/dbraw/zinc/64/70/32/574647032.db2.gz JIHQCRKZQDOGGB-ZDUSSCGKSA-N 0 3 293.367 2.219 20 5 CEBDHN Cc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749679078 575229120 /nfs/dbraw/zinc/22/91/20/575229120.db2.gz USOPCEUYZCGUBD-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN C[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000751928594 575301511 /nfs/dbraw/zinc/30/15/11/575301511.db2.gz NFJBDQUMLKNSLI-PHIMTYICSA-N 0 3 274.324 2.490 20 5 CEBDHN CC(COC(=O)c1cc(C2CCCCC2)[nH]n1)[N+](=O)[O-] ZINC000813104939 623023624 /nfs/dbraw/zinc/02/36/24/623023624.db2.gz TWFJOWUMXBMBMS-SECBINFHSA-N 0 3 281.312 2.279 20 5 CEBDHN CC(COC(=O)CCn1ccc2ccccc21)[N+](=O)[O-] ZINC000813108462 623041241 /nfs/dbraw/zinc/04/12/41/623041241.db2.gz GHBAXYHEDZAJEK-LLVKDONJSA-N 0 3 276.292 2.240 20 5 CEBDHN CC(COC(=O)c1ccc(-n2cccc2)cc1)[N+](=O)[O-] ZINC000813109213 623043127 /nfs/dbraw/zinc/04/31/27/623043127.db2.gz GYWQOCDVMGVJJG-NSHDSACASA-N 0 3 274.276 2.299 20 5 CEBDHN CO[C@H]1CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124017 624246631 /nfs/dbraw/zinc/24/66/31/624246631.db2.gz GSDDEWIFNKPZPE-OLZOCXBDSA-N 0 3 250.298 2.204 20 5 CEBDHN CC(C)(C)[C@H]1CSCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000931590598 628706240 /nfs/dbraw/zinc/70/62/40/628706240.db2.gz CRPLTSBICGGOHD-LLVKDONJSA-N 0 3 298.412 2.255 20 5 CEBDHN Cc1ncoc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000894241091 629247848 /nfs/dbraw/zinc/24/78/48/629247848.db2.gz GOBGQRFPULGGAD-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN C[C@H](CNCc1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000902673780 634770743 /nfs/dbraw/zinc/77/07/43/634770743.db2.gz IHONWURTLXSNGY-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC(COC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)[N+](=O)[O-] ZINC000797277579 631109997 /nfs/dbraw/zinc/10/99/97/631109997.db2.gz CXRLKYGASDRWFE-AUTRQRHGSA-N 0 3 299.348 2.206 20 5 CEBDHN CCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545001 631286800 /nfs/dbraw/zinc/28/68/00/631286800.db2.gz XVMHEACBFQRXJH-OCCSQVGLSA-N 0 3 298.314 2.018 20 5 CEBDHN CC(COC(=O)c1ccc(-n2cccc2)c(F)c1)[N+](=O)[O-] ZINC000813103594 632621470 /nfs/dbraw/zinc/62/14/70/632621470.db2.gz QWFAZYRBQKWMLQ-JTQLQIEISA-N 0 3 292.266 2.438 20 5 CEBDHN COc1ccc([C@@H](C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101933 632621585 /nfs/dbraw/zinc/62/15/85/632621585.db2.gz LNQTUIRWFYQVMT-QWRGUYRKSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)CCCOc1ccc(F)cc1)[N+](=O)[O-] ZINC000813104960 632622578 /nfs/dbraw/zinc/62/25/78/632622578.db2.gz HYBDJLFNZPHJDG-SNVBAGLBSA-N 0 3 285.271 2.193 20 5 CEBDHN COc1cc(OC2CC2)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104243 632622794 /nfs/dbraw/zinc/62/27/94/632622794.db2.gz KSFLJUOMDNMLIJ-VIFPVBQESA-N 0 3 295.291 2.058 20 5 CEBDHN CC(COC(=O)/C=C/c1ccccc1F)[N+](=O)[O-] ZINC000813104337 632623018 /nfs/dbraw/zinc/62/30/18/632623018.db2.gz YRGFJENSLYXHCS-XCODYQFDSA-N 0 3 253.229 2.047 20 5 CEBDHN CC(COC(=O)CSc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813104186 632623074 /nfs/dbraw/zinc/62/30/74/632623074.db2.gz XQTKPLANDTVGOQ-ZETCQYMHSA-N 0 3 291.275 2.265 20 5 CEBDHN CC(C)Oc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105131 632623661 /nfs/dbraw/zinc/62/36/61/632623661.db2.gz WAVOCCXYTDWPGQ-NSHDSACASA-N 0 3 281.308 2.225 20 5 CEBDHN CC(COC(=O)[C@]1(C)CCCc2ccccc21)[N+](=O)[O-] ZINC000813108123 632625173 /nfs/dbraw/zinc/62/51/73/632625173.db2.gz AOTWIBHXAKVWJS-XHDPSFHLSA-N 0 3 277.320 2.489 20 5 CEBDHN CC(COC(=O)c1cccc([C@@H]2CCCOC2)c1)[N+](=O)[O-] ZINC000813109391 632625604 /nfs/dbraw/zinc/62/56/04/632625604.db2.gz RTOTZONCQJXCJG-BXUZGUMPSA-N 0 3 293.319 2.403 20 5 CEBDHN CC(COC(=O)CCc1ccc(F)cc1F)[N+](=O)[O-] ZINC000813108010 632625705 /nfs/dbraw/zinc/62/57/05/632625705.db2.gz TUAOCXFSSXFGBB-MRVPVSSYSA-N 0 3 273.235 2.106 20 5 CEBDHN CC(COC(=O)[C@@H](C)Oc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813109648 632626345 /nfs/dbraw/zinc/62/63/45/632626345.db2.gz NMIHTHLMVFVYCF-DTWKUNHWSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)/C=C/c1ccnc2ccccc12)[N+](=O)[O-] ZINC000813110277 632626471 /nfs/dbraw/zinc/62/64/71/632626471.db2.gz WJPRKFWTFXMBBK-MLRMMBSGSA-N 0 3 286.287 2.456 20 5 CEBDHN CCOCCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813112049 632627154 /nfs/dbraw/zinc/62/71/54/632627154.db2.gz YVHBDEIOQLERGS-NSHDSACASA-N 0 3 273.329 2.182 20 5 CEBDHN COc1ccccc1C[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112585 632627649 /nfs/dbraw/zinc/62/76/49/632627649.db2.gz IUBHMFHXOMYSKN-VXGBXAGGSA-N 0 3 295.335 2.472 20 5 CEBDHN COc1ccccc1CC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112454 632627683 /nfs/dbraw/zinc/62/76/83/632627683.db2.gz HHVJXYNLEYORJI-LLVKDONJSA-N 0 3 295.335 2.472 20 5 CEBDHN CC(COC(=O)C[C@H](C)C(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813111671 632627714 /nfs/dbraw/zinc/62/77/14/632627714.db2.gz VZNLTARBQSBRLZ-VHSXEESVSA-N 0 3 297.282 2.243 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000817131626 633590699 /nfs/dbraw/zinc/59/06/99/633590699.db2.gz HSKXJOSBNQVTGT-LLVKDONJSA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1cnccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819248355 634116767 /nfs/dbraw/zinc/11/67/67/634116767.db2.gz XTQYUFVRCHMXMX-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN COc1cc([C@@H](C)NCCn2ccnc2)cc([N+](=O)[O-])c1 ZINC000903057076 634949139 /nfs/dbraw/zinc/94/91/39/634949139.db2.gz BCAAFESQDCVPJV-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H](O)C1CC1 ZINC000903411734 635105605 /nfs/dbraw/zinc/10/56/05/635105605.db2.gz QTWSRDIFBAJPDW-HZMBPMFUSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000830172716 636999241 /nfs/dbraw/zinc/99/92/41/636999241.db2.gz HBTGOHVTVZUAIC-GXFFZTMASA-N 0 3 290.319 2.341 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)cc1Cl ZINC000836735979 638696619 /nfs/dbraw/zinc/69/66/19/638696619.db2.gz STABRZYMIYLZCA-UHFFFAOYSA-N 0 3 299.758 2.190 20 5 CEBDHN CC(COC(=O)COC[C@H](C)c1ccccc1)[N+](=O)[O-] ZINC000845576438 641002103 /nfs/dbraw/zinc/00/21/03/641002103.db2.gz LGMAOWHXDBXTPN-RYUDHWBXSA-N 0 3 281.308 2.015 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)C1CC1 ZINC000071304832 641741506 /nfs/dbraw/zinc/74/15/06/641741506.db2.gz WFHLKEWNJLGTTM-LBPRGKRZSA-N 0 3 270.716 2.109 20 5 CEBDHN CC(COC(=O)c1cc(Cl)nc(C2CC2)c1)[N+](=O)[O-] ZINC000847714393 641748007 /nfs/dbraw/zinc/74/80/07/641748007.db2.gz SQQOXBZDRAGTDV-ZETCQYMHSA-N 0 3 284.699 2.434 20 5 CEBDHN CC(COC(=O)c1ccc(OCC(F)(F)F)o1)[N+](=O)[O-] ZINC000847714306 641748459 /nfs/dbraw/zinc/74/84/59/641748459.db2.gz PSKGVOQRTSFRFO-LURJTMIESA-N 0 3 297.185 2.043 20 5 CEBDHN COC(=O)C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000851927143 643228394 /nfs/dbraw/zinc/22/83/94/643228394.db2.gz GKAORQOZWSYVHK-GFCCVEGCSA-N 0 3 296.298 2.165 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000852583562 643481403 /nfs/dbraw/zinc/48/14/03/643481403.db2.gz YDGOABCGTIHWOS-OLZOCXBDSA-N 0 3 280.299 2.127 20 5 CEBDHN CC[C@@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000755926323 644584109 /nfs/dbraw/zinc/58/41/09/644584109.db2.gz XASLOTCEIDXRQP-LLVKDONJSA-N 0 3 289.339 2.337 20 5 CEBDHN COc1cc(F)c(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000870377316 648789739 /nfs/dbraw/zinc/78/97/39/648789739.db2.gz PWIYULJBOLJLHM-ZCFIWIBFSA-N 0 3 291.662 2.310 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@]12CCC[C@H]1OCC2 ZINC000872316262 649354682 /nfs/dbraw/zinc/35/46/82/649354682.db2.gz IMXQWUUIGDRZNW-CABCVRRESA-N 0 3 292.335 2.405 20 5 CEBDHN Cc1cc(NC[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000872719450 649467789 /nfs/dbraw/zinc/46/77/89/649467789.db2.gz ULZRVYIDMSUDLZ-UMSPYCQHSA-N 0 3 287.319 2.056 20 5 CEBDHN CO[C@@H]1CC[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317195 651282974 /nfs/dbraw/zinc/28/29/74/651282974.db2.gz CCFORZKCKUOOOA-IUODEOHRSA-N 0 3 294.351 2.473 20 5 CEBDHN COC(=O)C[C@@](C)(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000879438061 651304174 /nfs/dbraw/zinc/30/41/74/651304174.db2.gz DZQSEMZRNSEYCN-OAHLLOKOSA-N 0 3 292.335 2.416 20 5 CEBDHN CC[S@@](=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130918482 652355443 /nfs/dbraw/zinc/35/54/43/652355443.db2.gz KNEQCELWNOAAOB-YPMLDQLKSA-N 0 3 270.354 2.014 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2ccoc2)cc1 ZINC000134486158 652846967 /nfs/dbraw/zinc/84/69/67/652846967.db2.gz YASGDBDUJPPLCL-UHFFFAOYSA-N 0 3 262.265 2.356 20 5 CEBDHN Cc1c(CNCCOC(C)C)cccc1[N+](=O)[O-] ZINC000160195799 806858975 /nfs/dbraw/zinc/85/89/75/806858975.db2.gz JESSTXGSTXYOHK-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000724877845 803329976 /nfs/dbraw/zinc/32/99/76/803329976.db2.gz AVGPOQZEOQZCMF-LERXQTSPSA-N 0 3 280.324 2.049 20 5 CEBDHN C[C@@H]1COC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794301 807849214 /nfs/dbraw/zinc/84/92/14/807849214.db2.gz YMPGPCIHVYMPCT-LDYMZIIASA-N 0 3 270.716 2.373 20 5 CEBDHN CC(=O)CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171499641 815183860 /nfs/dbraw/zinc/18/38/60/815183860.db2.gz SSRBZYVQKYGKSB-UHFFFAOYSA-N 0 3 277.324 2.368 20 5 CEBDHN CN1CCC[C@](C)(Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001162343001 809412790 /nfs/dbraw/zinc/41/27/90/809412790.db2.gz ZCWIOBOMPDQWGI-LBPRGKRZSA-N 0 3 268.292 2.025 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@@]13CCOC3)CC2 ZINC001119434928 810475503 /nfs/dbraw/zinc/47/55/03/810475503.db2.gz JERXHFZQXWWOKR-GOEBONIOSA-N 0 3 288.347 2.380 20 5 CEBDHN CCCCN(CC(=O)OCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049038 811357480 /nfs/dbraw/zinc/35/74/80/811357480.db2.gz VUJJLNHPHSSDEF-OLZOCXBDSA-N 0 3 286.372 2.097 20 5 CEBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001169231814 811446114 /nfs/dbraw/zinc/44/61/14/811446114.db2.gz UDEKHQJMAZXOQF-SSDOTTSWSA-N 0 3 266.688 2.454 20 5 CEBDHN O=[N+]([O-])c1ccc2ccc(N3CCN4CC[C@@H]4C3)nc2c1 ZINC001158422675 812696121 /nfs/dbraw/zinc/69/61/21/812696121.db2.gz DYJKDQSDIMIYST-CYBMUJFWSA-N 0 3 284.319 2.037 20 5 CEBDHN Cc1cc(Cl)c(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170574690 812698154 /nfs/dbraw/zinc/69/81/54/812698154.db2.gz NUIFDUWEPKMULH-CABZTGNLSA-N 0 3 299.758 2.345 20 5 CEBDHN COc1cnc(N[C@H]2CCN(C3CCC3)C2)c([N+](=O)[O-])c1 ZINC001161177410 815685046 /nfs/dbraw/zinc/68/50/46/815685046.db2.gz NLQXPLGFBNTHQW-JTQLQIEISA-N 0 3 292.339 2.037 20 5 CEBDHN Cc1nc(NC[C@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000123921843 816682906 /nfs/dbraw/zinc/68/29/06/816682906.db2.gz ZZEJWDLPYXNOLQ-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN CCCN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294952373 199268065 /nfs/dbraw/zinc/26/80/65/199268065.db2.gz FLAXRNAZPABLBM-JTQLQIEISA-N 0 3 265.313 2.230 20 5 CEBDHN CCOC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045686577 362165248 /nfs/dbraw/zinc/16/52/48/362165248.db2.gz MRVBCIQAMSPRQD-JTQLQIEISA-N 0 3 266.297 2.199 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC1CCN(C2CC2)CC1 ZINC000014327337 343368355 /nfs/dbraw/zinc/36/83/55/343368355.db2.gz ZSHMWZKZVNLYED-UHFFFAOYSA-N 0 3 262.313 2.029 20 5 CEBDHN CN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000170863696 282263710 /nfs/dbraw/zinc/26/37/10/282263710.db2.gz IVVUGUJEEAAERW-JTQLQIEISA-N 0 3 297.742 2.024 20 5 CEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047145549 343511814 /nfs/dbraw/zinc/51/18/14/343511814.db2.gz QOVOJACOPXFNGB-GFCCVEGCSA-N 0 3 291.351 2.057 20 5 CEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047142662 343512082 /nfs/dbraw/zinc/51/20/82/343512082.db2.gz IVUDCOIWTKFXMR-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000048022991 343524554 /nfs/dbraw/zinc/52/45/54/343524554.db2.gz GYOCJBPIEQHTMZ-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CC)[C@@H](C)O ZINC000449543722 282278130 /nfs/dbraw/zinc/27/81/30/282278130.db2.gz OTCLNRAJSNYSMO-ZWNOBZJWSA-N 0 3 282.340 2.243 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000064337439 343688764 /nfs/dbraw/zinc/68/87/64/343688764.db2.gz VYZUTRMEMPFTCZ-NWDGAFQWSA-N 0 3 295.314 2.009 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000067573384 343739357 /nfs/dbraw/zinc/73/93/57/343739357.db2.gz DKVWLLIFLAOOAC-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000072924460 343815060 /nfs/dbraw/zinc/81/50/60/343815060.db2.gz YJLAAAVEMMGRNN-ZDUSSCGKSA-N 0 3 252.314 2.355 20 5 CEBDHN CO[C@H](CNCc1ccccc1[N+](=O)[O-])C(C)C ZINC000072924735 343815087 /nfs/dbraw/zinc/81/50/87/343815087.db2.gz HPZGXLAKWOAWRH-CYBMUJFWSA-N 0 3 252.314 2.355 20 5 CEBDHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000072924779 343815477 /nfs/dbraw/zinc/81/54/77/343815477.db2.gz IEMGIKLDHJHYFX-CYBMUJFWSA-N 0 3 252.314 2.355 20 5 CEBDHN CC(C)C[C@@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439314 347033885 /nfs/dbraw/zinc/03/38/85/347033885.db2.gz JUVVQUIKBPAVCR-LBPRGKRZSA-N 0 3 266.345 2.339 20 5 CEBDHN C[C@H](O)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000114771660 344280856 /nfs/dbraw/zinc/28/08/56/344280856.db2.gz WHKVSNRXPUTGOV-QMMMGPOBSA-N 0 3 290.266 2.057 20 5 CEBDHN CC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000129490685 344344297 /nfs/dbraw/zinc/34/42/97/344344297.db2.gz FQHPDDYPLZPGNA-CYBMUJFWSA-N 0 3 279.340 2.069 20 5 CEBDHN COc1cccc(N[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000134914448 344378842 /nfs/dbraw/zinc/37/88/42/344378842.db2.gz ADRAPKIMJFSRNP-SNVBAGLBSA-N 0 3 277.324 2.252 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(C3CC3)C2)n1 ZINC000162717104 344468860 /nfs/dbraw/zinc/46/88/60/344468860.db2.gz HVBIZIBGXGQVPR-NSHDSACASA-N 0 3 276.340 2.194 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCCOC3)nc2c1 ZINC000602518224 347064630 /nfs/dbraw/zinc/06/46/30/347064630.db2.gz MRKQOWNFYUQNCS-JTQLQIEISA-N 0 3 291.307 2.252 20 5 CEBDHN CN1CC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302581415 344704018 /nfs/dbraw/zinc/70/40/18/344704018.db2.gz RRBVTYOZRSERNJ-MRVPVSSYSA-N 0 3 270.720 2.007 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000273216518 192076938 /nfs/dbraw/zinc/07/69/38/192076938.db2.gz URZFAMPXTOBWLX-ZDUSSCGKSA-N 0 3 299.334 2.071 20 5 CEBDHN COc1ccc(CN2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789798 282369023 /nfs/dbraw/zinc/36/90/23/282369023.db2.gz IHGCKLJLNFVOHP-LBPRGKRZSA-N 0 3 294.351 2.198 20 5 CEBDHN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577086 347085408 /nfs/dbraw/zinc/08/54/08/347085408.db2.gz RLAJSADLGFRQTF-NXEZZACHSA-N 0 3 291.307 2.393 20 5 CEBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1cccs1 ZINC000273233569 192082722 /nfs/dbraw/zinc/08/27/22/192082722.db2.gz XOQBBGJTMAYNPU-SNVBAGLBSA-N 0 3 293.352 2.161 20 5 CEBDHN CC[C@H](O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000127359610 187299879 /nfs/dbraw/zinc/29/98/79/187299879.db2.gz PFEAREXUJYRNGZ-NSHDSACASA-N 0 3 272.732 2.499 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H](C)CO ZINC000273938127 192370529 /nfs/dbraw/zinc/37/05/29/192370529.db2.gz DAUOQCKDJWSRAK-NWDGAFQWSA-N 0 3 296.367 2.489 20 5 CEBDHN C[C@@H](NCC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722807 345528038 /nfs/dbraw/zinc/52/80/38/345528038.db2.gz ZAYXZMVFEFBBNY-DOMZBBRYSA-N 0 3 294.351 2.177 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CO)CC(F)(F)F)cc1 ZINC000602579181 347086587 /nfs/dbraw/zinc/08/65/87/347086587.db2.gz IEJHVVBYHWSVQF-SNVBAGLBSA-N 0 3 292.257 2.040 20 5 CEBDHN Cc1c([C@@H](C)NC/C=C\CO)cccc1[N+](=O)[O-] ZINC000595067637 345738906 /nfs/dbraw/zinc/73/89/06/345738906.db2.gz HGLZMFKUEBQEFD-DLRQAJBASA-N 0 3 250.298 2.102 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1(CO)CC1 ZINC000594969899 345719763 /nfs/dbraw/zinc/71/97/63/345719763.db2.gz SJXYSBHGLYJJNA-LLVKDONJSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2C[C@H](O)C2)o1 ZINC000595000931 345723762 /nfs/dbraw/zinc/72/37/62/345723762.db2.gz NLVMJZVEKYWYBY-XYPYZODXSA-N 0 3 288.303 2.468 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)CCO ZINC000595029771 345730932 /nfs/dbraw/zinc/73/09/32/345730932.db2.gz YJEAUMWSVIGUKO-MNOVXSKESA-N 0 3 282.340 2.273 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595827045 345887558 /nfs/dbraw/zinc/88/75/58/345887558.db2.gz KWHBKEHKNMERNX-OLZOCXBDSA-N 0 3 262.309 2.063 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595827044 345887579 /nfs/dbraw/zinc/88/75/79/345887579.db2.gz KWHBKEHKNMERNX-CHWSQXEVSA-N 0 3 262.309 2.063 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595749941 345865691 /nfs/dbraw/zinc/86/56/91/345865691.db2.gz ITBIZWXGNNKYIE-HNNXBMFYSA-N 0 3 276.336 2.332 20 5 CEBDHN Cc1c(CN2C[C@@H](C)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875173 345903766 /nfs/dbraw/zinc/90/37/66/345903766.db2.gz PYVDYYQHMFDQOK-ABAIWWIYSA-N 0 3 278.352 2.354 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000596307405 345995016 /nfs/dbraw/zinc/99/50/16/345995016.db2.gz MFZMREOXIIZVQG-NSHDSACASA-N 0 3 264.329 2.275 20 5 CEBDHN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596265778 345985910 /nfs/dbraw/zinc/98/59/10/345985910.db2.gz POKANNYXFRRMRY-KOLCDFICSA-N 0 3 267.354 2.105 20 5 CEBDHN Cc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302794 187362468 /nfs/dbraw/zinc/36/24/68/187362468.db2.gz MPYGUBXBCAQBJM-QWHCGFSZSA-N 0 3 264.325 2.152 20 5 CEBDHN CN(CC1CN(C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000596452854 346027671 /nfs/dbraw/zinc/02/76/71/346027671.db2.gz HDSKXGPHUFESKL-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597075990 346124154 /nfs/dbraw/zinc/12/41/54/346124154.db2.gz NSQILFAHHGZTLS-JSGCOSHPSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212602 346150371 /nfs/dbraw/zinc/15/03/71/346150371.db2.gz VVFDPXJZXGPCIO-UKRRQHHQSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1(CO)CCC1 ZINC000597254365 346162762 /nfs/dbraw/zinc/16/27/62/346162762.db2.gz KGPKYMDUELMDPW-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H](C)N1 ZINC000598536346 346371978 /nfs/dbraw/zinc/37/19/78/346371978.db2.gz SIJJFLGTLWPONO-WCBMZHEXSA-N 0 3 297.380 2.177 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCN1CC(F)F ZINC000598988384 346442593 /nfs/dbraw/zinc/44/25/93/346442593.db2.gz QWKDARHJQJXHPS-LBPRGKRZSA-N 0 3 299.321 2.414 20 5 CEBDHN CC(C)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148402 346769768 /nfs/dbraw/zinc/76/97/68/346769768.db2.gz BIEJREGDJFTNAZ-ZDUSSCGKSA-N 0 3 252.314 2.048 20 5 CEBDHN Cn1cc(CN2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])n1 ZINC000602718346 347168144 /nfs/dbraw/zinc/16/81/44/347168144.db2.gz NFKZDCAEOMWYDR-GFCCVEGCSA-N 0 3 278.356 2.340 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)CC[C@@H]1C ZINC000602786580 347198361 /nfs/dbraw/zinc/19/83/61/347198361.db2.gz RIYUTSYBJKSKNU-QWRGUYRKSA-N 0 3 266.345 2.220 20 5 CEBDHN C[C@@H]1C[C@H]1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733896 347177645 /nfs/dbraw/zinc/17/76/45/347177645.db2.gz XHBLFHBDZAPRDB-UHIISALHSA-N 0 3 264.325 2.048 20 5 CEBDHN CC[C@@H]1CC[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602835921 347218355 /nfs/dbraw/zinc/21/83/55/347218355.db2.gz ADICSHSAJPXBLM-WDEREUQCSA-N 0 3 266.345 2.339 20 5 CEBDHN CCC[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602840649 347220705 /nfs/dbraw/zinc/22/07/05/347220705.db2.gz OWMFFTWYZQCRFP-LBPRGKRZSA-N 0 3 266.345 2.387 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CSCCN2)c1 ZINC000603417841 347364873 /nfs/dbraw/zinc/36/48/73/347364873.db2.gz CIMWHSRPEUSSRT-SNVBAGLBSA-N 0 3 267.354 2.020 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](CCO)C1 ZINC000609204513 347630543 /nfs/dbraw/zinc/63/05/43/347630543.db2.gz UXCBUDKRWJMCKS-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN O=[N+]([O-])c1ncccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000609350936 347636009 /nfs/dbraw/zinc/63/60/09/347636009.db2.gz XOHJUHXTDZFDSR-GFCCVEGCSA-N 0 3 276.340 2.054 20 5 CEBDHN O=[N+]([O-])c1cnccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000609350945 347636259 /nfs/dbraw/zinc/63/62/59/347636259.db2.gz XXGONCCKZOQOLE-GFCCVEGCSA-N 0 3 276.340 2.054 20 5 CEBDHN Cc1ccnc(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609670564 347649297 /nfs/dbraw/zinc/64/92/97/347649297.db2.gz UPYSIJDZLJPVDL-GFCCVEGCSA-N 0 3 276.340 2.194 20 5 CEBDHN C[C@H](NCc1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383711 347771426 /nfs/dbraw/zinc/77/14/26/347771426.db2.gz OKYZLNBQJSVTGY-NSHDSACASA-N 0 3 287.319 2.144 20 5 CEBDHN CN(C)C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929802 347723182 /nfs/dbraw/zinc/72/31/82/347723182.db2.gz QNKDURDPNYNLAU-JTQLQIEISA-N 0 3 284.747 2.174 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000611084363 347737257 /nfs/dbraw/zinc/73/72/57/347737257.db2.gz AKKZFIGMRJPAEH-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN COCC1(N(C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611179031 347748281 /nfs/dbraw/zinc/74/82/81/347748281.db2.gz YZDPMZISCFUDOD-UHFFFAOYSA-N 0 3 264.325 2.248 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000611510165 347788074 /nfs/dbraw/zinc/78/80/74/347788074.db2.gz BIMCTFFKROORKT-UWVGGRQHSA-N 0 3 267.354 2.187 20 5 CEBDHN CCOC(=O)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000351941290 219256608 /nfs/dbraw/zinc/25/66/08/219256608.db2.gz PBRPWIRRMAXSMT-UHFFFAOYSA-N 0 3 278.308 2.028 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3cnccc3c2)c1 ZINC000618724526 349029901 /nfs/dbraw/zinc/02/99/01/349029901.db2.gz DJQDMURNUXXWPR-UHFFFAOYSA-N 0 3 297.318 2.129 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339617300 215271220 /nfs/dbraw/zinc/27/12/20/215271220.db2.gz ROIWIORMXQRKBI-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774132 180039045 /nfs/dbraw/zinc/03/90/45/180039045.db2.gz XQKSTVAMQVAVBC-CMPLNLGQSA-N 0 3 280.324 2.433 20 5 CEBDHN C[C@H](NCC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000091437128 180155256 /nfs/dbraw/zinc/15/52/56/180155256.db2.gz VWNHWMWFXYEZRH-JTQLQIEISA-N 0 3 250.298 2.282 20 5 CEBDHN CC(C)[C@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000092395330 180377077 /nfs/dbraw/zinc/37/70/77/180377077.db2.gz ZSENMPZQVUDSJH-NSHDSACASA-N 0 3 272.732 2.355 20 5 CEBDHN CCC(O)(CC)CNCc1cccc([N+](=O)[O-])c1 ZINC000111158844 186361973 /nfs/dbraw/zinc/36/19/73/186361973.db2.gz KOWYPILAHIXBIG-UHFFFAOYSA-N 0 3 252.314 2.236 20 5 CEBDHN CC(=O)c1ccc(NC[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000291753983 198081223 /nfs/dbraw/zinc/08/12/23/198081223.db2.gz FZCDGFFPZQZYNC-SNVBAGLBSA-N 0 3 279.340 2.407 20 5 CEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000122909441 187058855 /nfs/dbraw/zinc/05/88/55/187058855.db2.gz RTPZKLCHXLNZHA-NWDGAFQWSA-N 0 3 291.351 2.150 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131271694 187553665 /nfs/dbraw/zinc/55/36/65/187553665.db2.gz PUPBTOCLIYOEGY-CMPLNLGQSA-N 0 3 250.298 2.343 20 5 CEBDHN CC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292143077 198180610 /nfs/dbraw/zinc/18/06/10/198180610.db2.gz MSLCVOOTADOBJI-JTQLQIEISA-N 0 3 252.314 2.190 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOC1(C)C ZINC000451241497 282934990 /nfs/dbraw/zinc/93/49/90/282934990.db2.gz LBETUBOVCSTNKT-CYBMUJFWSA-N 0 3 280.324 2.261 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451539151 283025453 /nfs/dbraw/zinc/02/54/53/283025453.db2.gz FCOOGIDWSVOCNF-GXTWGEPZSA-N 0 3 294.351 2.330 20 5 CEBDHN COC[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000452037885 283166501 /nfs/dbraw/zinc/16/65/01/283166501.db2.gz LUDCAIGPLSTVDH-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN COc1cc(CN2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452118965 283193680 /nfs/dbraw/zinc/19/36/80/283193680.db2.gz KFJOCIIYFWVDFA-GFCCVEGCSA-N 0 3 294.351 2.198 20 5 CEBDHN CO[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076343795 363538166 /nfs/dbraw/zinc/53/81/66/363538166.db2.gz XGYIFBUQPXNSQX-AWEZNQCLSA-N 0 3 280.324 2.084 20 5 CEBDHN CCOc1cccc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000134929085 366376506 /nfs/dbraw/zinc/37/65/06/366376506.db2.gz JMUBUEVOWLKJKF-JTQLQIEISA-N 0 3 267.329 2.356 20 5 CEBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135203957 366408702 /nfs/dbraw/zinc/40/87/02/366408702.db2.gz ZEUKLMHNXDNVEU-WPRPVWTQSA-N 0 3 256.327 2.171 20 5 CEBDHN C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000136128582 366496804 /nfs/dbraw/zinc/49/68/04/366496804.db2.gz LZDXBSLCYDOSRE-CYBMUJFWSA-N 0 3 263.297 2.066 20 5 CEBDHN COC1(CCN2CCc3ncc([N+](=O)[O-])cc3C2)CCC1 ZINC000339077425 366642738 /nfs/dbraw/zinc/64/27/38/366642738.db2.gz RNABNQGRAVHNNW-UHFFFAOYSA-N 0 3 291.351 2.307 20 5 CEBDHN CC(C)N1CCCC[C@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000339116461 366659083 /nfs/dbraw/zinc/65/90/83/366659083.db2.gz MALINKGGXAZXBN-NSHDSACASA-N 0 3 252.318 2.054 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1sccc1[N+](=O)[O-] ZINC000302048695 201319392 /nfs/dbraw/zinc/31/93/92/201319392.db2.gz ZIPUFRYODHYCPN-JTQLQIEISA-N 0 3 269.370 2.434 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000094371413 364271720 /nfs/dbraw/zinc/27/17/20/364271720.db2.gz VOYKYMSEIRQPND-ZFWWWQNUSA-N 0 3 292.335 2.023 20 5 CEBDHN C[C@@]1(CNCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000094798372 364297313 /nfs/dbraw/zinc/29/73/13/364297313.db2.gz SSPUEHPGCALWHQ-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@H](CCCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094942061 364309867 /nfs/dbraw/zinc/30/98/67/364309867.db2.gz KPRNKAUPBLXSPJ-GHMZBOCLSA-N 0 3 252.314 2.406 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275799966 193131158 /nfs/dbraw/zinc/13/11/58/193131158.db2.gz DTEFXOKIYKLGPC-JOCQHMNTSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1nc(NCCN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000161521936 367093409 /nfs/dbraw/zinc/09/34/09/367093409.db2.gz SADDGMFLCSGSBT-UHFFFAOYSA-N 0 3 278.356 2.442 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000166136582 367318204 /nfs/dbraw/zinc/31/82/04/367318204.db2.gz RYFADAIQAUEHKS-ONGXEEELSA-N 0 3 295.295 2.018 20 5 CEBDHN Cc1cnc(N[C@@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343530744 367866816 /nfs/dbraw/zinc/86/68/16/367866816.db2.gz OXAMGEOLRZXQGW-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN CC(C)[C@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000304077081 201629336 /nfs/dbraw/zinc/62/93/36/201629336.db2.gz XKTBCGGXGQSUQE-LLVKDONJSA-N 0 3 258.343 2.153 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000184736805 368715529 /nfs/dbraw/zinc/71/55/29/368715529.db2.gz FKQDPUFOMOYMID-QWRGUYRKSA-N 0 3 280.324 2.272 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@@H]1CCO ZINC000348161420 368927200 /nfs/dbraw/zinc/92/72/00/368927200.db2.gz NDDXXCWYESRASM-RISCZKNCSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187317305 369137528 /nfs/dbraw/zinc/13/75/28/369137528.db2.gz ZLAQUTRUIYNTNG-BZPMIXESSA-N 0 3 262.309 2.252 20 5 CEBDHN CN(C)C1(CN(C)C(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000188044248 369283096 /nfs/dbraw/zinc/28/30/96/369283096.db2.gz OOWWZOKQPJZJJP-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349386375 369317314 /nfs/dbraw/zinc/31/73/14/369317314.db2.gz SDYFLFVLYZJIAA-SMDDNHRTSA-N 0 3 264.325 2.106 20 5 CEBDHN CSC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234676 369323212 /nfs/dbraw/zinc/32/32/12/369323212.db2.gz DXHKIZYWWPLNFM-JQWIXIFHSA-N 0 3 284.381 2.278 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000188800667 369410389 /nfs/dbraw/zinc/41/03/89/369410389.db2.gz GHDHURACSQNGII-BXKDBHETSA-N 0 3 284.743 2.499 20 5 CEBDHN CO[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189280721 369488661 /nfs/dbraw/zinc/48/86/61/369488661.db2.gz SOLHSNLHMUHQKE-DOMZBBRYSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1c(-c2noc([C@@H]3CCN(C)C3)n2)cccc1[N+](=O)[O-] ZINC000351145272 369612439 /nfs/dbraw/zinc/61/24/39/369612439.db2.gz JMQPAKUYKYPFRP-SNVBAGLBSA-N 0 3 288.307 2.372 20 5 CEBDHN C[C@H](NCCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000276524257 193366980 /nfs/dbraw/zinc/36/69/80/193366980.db2.gz CMHOLGPGGIOVBP-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000191720629 369736017 /nfs/dbraw/zinc/73/60/17/369736017.db2.gz CFKVSXQMGWTBQP-HRLNJXSSSA-N 0 3 276.336 2.168 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@H](C)C1 ZINC000223071578 370261057 /nfs/dbraw/zinc/26/10/57/370261057.db2.gz DLKSLNADTLEGGV-PWSUYJOCSA-N 0 3 280.324 2.261 20 5 CEBDHN C[C@@H](O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228031345 370392975 /nfs/dbraw/zinc/39/29/75/370392975.db2.gz JCNHYSMDRYUHOQ-MNOVXSKESA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1c(CN2CC[C@@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248924989 371272105 /nfs/dbraw/zinc/27/21/05/371272105.db2.gz LKECSDPFFWJKFQ-QMTHXVAHSA-N 0 3 264.325 2.106 20 5 CEBDHN CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249370334 371316380 /nfs/dbraw/zinc/31/63/80/371316380.db2.gz AMQSANDHXDDNSP-OPQQBVKSSA-N 0 3 279.340 2.145 20 5 CEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249592392 371343935 /nfs/dbraw/zinc/34/39/35/371343935.db2.gz VUGCVANEPHSRLA-IUODEOHRSA-N 0 3 294.351 2.066 20 5 CEBDHN CO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251923824 371423752 /nfs/dbraw/zinc/42/37/52/371423752.db2.gz SOLHSNLHMUHQKE-SWLSCSKDSA-N 0 3 294.351 2.330 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252549761 371455131 /nfs/dbraw/zinc/45/51/31/371455131.db2.gz OALLJNCCYINZJG-WDEREUQCSA-N 0 3 295.314 2.009 20 5 CEBDHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000252760986 371477367 /nfs/dbraw/zinc/47/73/67/371477367.db2.gz MOFUKNHLBDQGBQ-GARJFASQSA-N 0 3 252.314 2.405 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H](C)OC ZINC000361574388 371939060 /nfs/dbraw/zinc/93/90/60/371939060.db2.gz VXIGSDLWVWGKTP-NSHDSACASA-N 0 3 282.340 2.460 20 5 CEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1nccn1C ZINC000268901264 372279067 /nfs/dbraw/zinc/27/90/67/372279067.db2.gz MEJZDXLSYZXNOZ-LBPRGKRZSA-N 0 3 288.351 2.439 20 5 CEBDHN CCN1CCCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000270565449 372846031 /nfs/dbraw/zinc/84/60/31/372846031.db2.gz MWEUMKPCLBTKPN-UHFFFAOYSA-N 0 3 297.330 2.275 20 5 CEBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270688335 372901468 /nfs/dbraw/zinc/90/14/68/372901468.db2.gz WWHWBTSIBCTDNL-KGLIPLIRSA-N 0 3 295.408 2.072 20 5 CEBDHN CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270848104 372981479 /nfs/dbraw/zinc/98/14/79/372981479.db2.gz GEHXVNCOBOACOO-MISXGVKJSA-N 0 3 264.325 2.359 20 5 CEBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270859377 372985507 /nfs/dbraw/zinc/98/55/07/372985507.db2.gz HXPWGTNZKBRJPC-FZMZJTMJSA-N 0 3 264.325 2.106 20 5 CEBDHN CCN(CC)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272070211 373291699 /nfs/dbraw/zinc/29/16/99/373291699.db2.gz FFJXCYVETXEWAI-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C1CCC1 ZINC000370046313 373564867 /nfs/dbraw/zinc/56/48/67/373564867.db2.gz QTUYCZPBXSBOOU-NSHDSACASA-N 0 3 264.329 2.093 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC2(CCC2)C1 ZINC000373407553 374345387 /nfs/dbraw/zinc/34/53/87/374345387.db2.gz URLSZBYEEVXXGM-UHFFFAOYSA-N 0 3 291.351 2.023 20 5 CEBDHN CC(C)N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277779056 374642907 /nfs/dbraw/zinc/64/29/07/374642907.db2.gz MDAVAMYERGRZKJ-UHFFFAOYSA-N 0 3 289.339 2.002 20 5 CEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)C ZINC000277789660 374646571 /nfs/dbraw/zinc/64/65/71/374646571.db2.gz FSPWHDASKISQSV-SECBINFHSA-N 0 3 299.758 2.237 20 5 CEBDHN CC[C@H](NC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567716 375188879 /nfs/dbraw/zinc/18/88/79/375188879.db2.gz OTLJURANKVEYHR-UONOGXRCSA-N 0 3 282.340 2.033 20 5 CEBDHN CCN(CCOCCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000282108173 375404748 /nfs/dbraw/zinc/40/47/48/375404748.db2.gz PTLMCVZMYGSWLY-CYBMUJFWSA-N 0 3 296.367 2.295 20 5 CEBDHN CO[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282386167 375471509 /nfs/dbraw/zinc/47/15/09/375471509.db2.gz ORJKKPQPAZYFOG-GLQYFDAESA-N 0 3 294.351 2.128 20 5 CEBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283145678 375664026 /nfs/dbraw/zinc/66/40/26/375664026.db2.gz OGISEFTZFLESAC-ZJUUUORDSA-N 0 3 298.314 2.411 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000414653294 375902292 /nfs/dbraw/zinc/90/22/92/375902292.db2.gz DZXLLHAEAUXSCU-QWRGUYRKSA-N 0 3 292.339 2.117 20 5 CEBDHN COc1ccc(CN[C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585577 375868853 /nfs/dbraw/zinc/86/88/53/375868853.db2.gz UEQFIGANNADLEV-QWHCGFSZSA-N 0 3 294.351 2.244 20 5 CEBDHN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263666935 190072316 /nfs/dbraw/zinc/07/23/16/190072316.db2.gz BWTNVUOJQXSFLZ-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN COc1cc(CN(C)[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000305841577 376516026 /nfs/dbraw/zinc/51/60/26/376516026.db2.gz RGDQFJZTTNBBFF-CQSZACIVSA-N 0 3 296.367 2.442 20 5 CEBDHN C[C@@H]1CCC[C@@H](CO)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887410 376530888 /nfs/dbraw/zinc/53/08/88/376530888.db2.gz YWAWHLVEDVELDU-OCCSQVGLSA-N 0 3 294.351 2.209 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCSC2)c(F)c1 ZINC000310357084 376620837 /nfs/dbraw/zinc/62/08/37/376620837.db2.gz RDAYVTJSXPTULQ-SECBINFHSA-N 0 3 256.302 2.329 20 5 CEBDHN Cc1cc(C)c(OC[C@@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290754103 376908896 /nfs/dbraw/zinc/90/88/96/376908896.db2.gz JASVGVWNBPDUNN-ZDUSSCGKSA-N 0 3 294.351 2.046 20 5 CEBDHN C[C@@H]1CCC[C@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000292983922 377381133 /nfs/dbraw/zinc/38/11/33/377381133.db2.gz LKZCYOBMZGHQIU-SKDRFNHKSA-N 0 3 270.354 2.297 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1 ZINC000332200518 377539544 /nfs/dbraw/zinc/53/95/44/377539544.db2.gz DESNSXYSQRITRX-YDHLFZDLSA-N 0 3 276.336 2.188 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(CCCCO)C2CC2)c1 ZINC000265479075 190185576 /nfs/dbraw/zinc/18/55/76/190185576.db2.gz KDMWKGQRZRGNIB-UHFFFAOYSA-N 0 3 264.325 2.332 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)CO ZINC000293533711 377614118 /nfs/dbraw/zinc/61/41/18/377614118.db2.gz XGUPEZHAZDEUOQ-JTQLQIEISA-N 0 3 252.314 2.106 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC1(C)C ZINC000293577552 377638998 /nfs/dbraw/zinc/63/89/98/377638998.db2.gz DTLPWJUEBWQMGW-CYBMUJFWSA-N 0 3 280.324 2.261 20 5 CEBDHN COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000566066258 377717894 /nfs/dbraw/zinc/71/78/94/377717894.db2.gz JNKDFBHWNCEOII-OCCSQVGLSA-N 0 3 292.335 2.214 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOCC(F)F ZINC000566867531 377778517 /nfs/dbraw/zinc/77/85/17/377778517.db2.gz ZVGLVNRIJFNTMF-NSHDSACASA-N 0 3 286.278 2.453 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768056 377748953 /nfs/dbraw/zinc/74/89/53/377748953.db2.gz RWIZKODKGMDDIG-LKFCYVNXSA-N 0 3 279.340 2.253 20 5 CEBDHN COCC[C@]1(NCc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000447066888 378089741 /nfs/dbraw/zinc/08/97/41/378089741.db2.gz GQFZUEHZCQQOPF-HNNXBMFYSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCCN2CCO)c1 ZINC000450607219 378498164 /nfs/dbraw/zinc/49/81/64/378498164.db2.gz BGSRRTVTBLXXMF-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000278615826 194069143 /nfs/dbraw/zinc/06/91/43/194069143.db2.gz FYUBIFHUIIRHSD-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COc1ccc(CNC[C@H](OC)C(C)C)cc1[N+](=O)[O-] ZINC000266594859 190269516 /nfs/dbraw/zinc/26/95/16/190269516.db2.gz ARMZZPFWXWBCOM-AWEZNQCLSA-N 0 3 282.340 2.364 20 5 CEBDHN Cc1cc(N(C)[C@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835722 190283459 /nfs/dbraw/zinc/28/34/59/190283459.db2.gz JXQXCSMRJPTNPC-RYUDHWBXSA-N 0 3 278.356 2.217 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CC3)CC2)c(F)c1 ZINC000267008372 190296386 /nfs/dbraw/zinc/29/63/86/190296386.db2.gz GQPOPBFLCAGNPD-UHFFFAOYSA-N 0 3 293.342 2.262 20 5 CEBDHN C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000305151759 379662459 /nfs/dbraw/zinc/66/24/59/379662459.db2.gz AJNFTYQFYBNPLU-DOMZBBRYSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000334042235 380219704 /nfs/dbraw/zinc/21/97/04/380219704.db2.gz IRMCKWFMHFNQDY-NEPJUHHUSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCOC1 ZINC000288339071 197054741 /nfs/dbraw/zinc/05/47/41/197054741.db2.gz BEMGRIPILBYQFR-LBPRGKRZSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@H]1C[C@@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000289132421 197243101 /nfs/dbraw/zinc/24/31/01/197243101.db2.gz XXQSTICJXUQCBO-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281306026 195189528 /nfs/dbraw/zinc/18/95/28/195189528.db2.gz HTJPFWKUYXVMGH-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H]2CCO)cs1 ZINC000189958697 130043694 /nfs/dbraw/zinc/04/36/94/130043694.db2.gz FQYAHBPBEPPGIB-MNOVXSKESA-N 0 3 270.354 2.297 20 5 CEBDHN CO[C@H](C)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000191138902 130187991 /nfs/dbraw/zinc/18/79/91/130187991.db2.gz HTTKEIWHAXDWHC-OKPNEXGHSA-N 0 3 250.298 2.233 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC000048775684 394529576 /nfs/dbraw/zinc/52/95/76/394529576.db2.gz VGJLWYRLMCEXNI-UHFFFAOYSA-N 0 3 275.352 2.122 20 5 CEBDHN CON1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000323243339 394548833 /nfs/dbraw/zinc/54/88/33/394548833.db2.gz DUGMTYIOPPFOGO-NSHDSACASA-N 0 3 279.340 2.271 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000270107106 394726131 /nfs/dbraw/zinc/72/61/31/394726131.db2.gz MBXBAKZUHQXINV-TZMCWYRMSA-N 0 3 264.325 2.188 20 5 CEBDHN CN(CCN(C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000286868272 395030511 /nfs/dbraw/zinc/03/05/11/395030511.db2.gz NHHTXOZOIOCLQC-UHFFFAOYSA-N 0 3 267.304 2.264 20 5 CEBDHN C[C@@H]1CSC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000285859129 394974282 /nfs/dbraw/zinc/97/42/82/394974282.db2.gz ILQFZTHRRDOBSD-KOLCDFICSA-N 0 3 252.339 2.436 20 5 CEBDHN CC[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000289912505 395090742 /nfs/dbraw/zinc/09/07/42/395090742.db2.gz UVENBELLQLBHRE-NSHDSACASA-N 0 3 268.313 2.118 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000287483622 395042534 /nfs/dbraw/zinc/04/25/34/395042534.db2.gz SKIMHGIOODWYOB-NSHDSACASA-N 0 3 252.314 2.188 20 5 CEBDHN CC(C)[C@@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000348574050 395147015 /nfs/dbraw/zinc/14/70/15/395147015.db2.gz ZSBQHNOQEOYHAA-INIZCTEOSA-N 0 3 291.395 2.409 20 5 CEBDHN COc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292742089 395204800 /nfs/dbraw/zinc/20/48/00/395204800.db2.gz IWPKHYOMHYJYOY-PHIMTYICSA-N 0 3 279.340 2.132 20 5 CEBDHN CC[C@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473243 395299830 /nfs/dbraw/zinc/29/98/30/395299830.db2.gz ZRFUWGSWFQERLO-WDEREUQCSA-N 0 3 294.330 2.192 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1CCCN1C ZINC000420628611 395393224 /nfs/dbraw/zinc/39/32/24/395393224.db2.gz BGGZAVIXMWNYPZ-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000434960316 395341211 /nfs/dbraw/zinc/34/12/11/395341211.db2.gz RHAXRTZSCUXHDB-NSHDSACASA-N 0 3 296.758 2.316 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CO)CC(F)F ZINC000566476241 395528990 /nfs/dbraw/zinc/52/89/90/395528990.db2.gz VJGBJSLFLIMSQI-KWQFWETISA-N 0 3 286.278 2.188 20 5 CEBDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596120264 395666555 /nfs/dbraw/zinc/66/65/55/395666555.db2.gz JCPIGCOTZDCSIT-PHIMTYICSA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596120264 395666556 /nfs/dbraw/zinc/66/65/56/395666556.db2.gz JCPIGCOTZDCSIT-PHIMTYICSA-N 0 3 294.355 2.370 20 5 CEBDHN CC(C)[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293220441 400322628 /nfs/dbraw/zinc/32/26/28/400322628.db2.gz GSVPZNURISDAQS-CYBMUJFWSA-N 0 3 266.341 2.436 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC[C@H](CN3CCCCC3)C2)s1 ZINC000192466845 153208849 /nfs/dbraw/zinc/20/88/49/153208849.db2.gz QSNVKUMPVLIRTF-LLVKDONJSA-N 0 3 296.396 2.364 20 5 CEBDHN C[C@@H](O)CCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000228044416 153355084 /nfs/dbraw/zinc/35/50/84/153355084.db2.gz XXCPAJRPVHIWDV-GHMZBOCLSA-N 0 3 252.314 2.406 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCC[C@H](O)C2)cs1 ZINC000230667240 153398302 /nfs/dbraw/zinc/39/83/02/153398302.db2.gz AMUXYIREFOYAQD-KOLCDFICSA-N 0 3 270.354 2.297 20 5 CEBDHN C[C@H]1COCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376502739 157237582 /nfs/dbraw/zinc/23/75/82/157237582.db2.gz YLRDAIVOXYQAAQ-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN CO[C@H]1C[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000285266920 196236470 /nfs/dbraw/zinc/23/64/70/196236470.db2.gz DKQPLUVNKBBTGF-XBXGTLAGSA-N 0 3 280.324 2.083 20 5 CEBDHN COC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037308526 173111259 /nfs/dbraw/zinc/11/12/59/173111259.db2.gz IPBCLCMREIYUAI-JTQLQIEISA-N 0 3 266.297 2.117 20 5 CEBDHN COC(=O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037394485 173174346 /nfs/dbraw/zinc/17/43/46/173174346.db2.gz DLDCPOVPLVWKAL-JTQLQIEISA-N 0 3 266.297 2.199 20 5 CEBDHN Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000040458747 174269019 /nfs/dbraw/zinc/26/90/19/174269019.db2.gz WVLLBTKXRURRDE-LLVKDONJSA-N 0 3 265.313 2.215 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCCO1 ZINC000044417536 175173403 /nfs/dbraw/zinc/17/34/03/175173403.db2.gz CHMMXVVEIWTKQS-LBPRGKRZSA-N 0 3 250.298 2.254 20 5 CEBDHN CN1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000044537921 175199521 /nfs/dbraw/zinc/19/95/21/175199521.db2.gz YZDWKBPEIKULIV-SECBINFHSA-N 0 3 295.368 2.058 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487622 270334452 /nfs/dbraw/zinc/33/44/52/270334452.db2.gz VEAINISZIVDHJV-QMTHXVAHSA-N 0 3 264.325 2.406 20 5 CEBDHN CC1(C)C[C@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396928174 270350290 /nfs/dbraw/zinc/35/02/90/270350290.db2.gz NJPXFWNLTLVYQK-NSHDSACASA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H]1NCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1C ZINC000262765892 274420517 /nfs/dbraw/zinc/42/05/17/274420517.db2.gz JEPYLBOKCINVPG-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN CCN(C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000186338964 276304828 /nfs/dbraw/zinc/30/48/28/276304828.db2.gz DUWYJYIKTXJJDE-VAWYXSNFSA-N 0 3 291.351 2.066 20 5 CEBDHN CN1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375050740 277179037 /nfs/dbraw/zinc/17/90/37/277179037.db2.gz SKHCZFRBIVHJFD-CABZTGNLSA-N 0 3 296.758 2.174 20 5 CEBDHN COc1ncccc1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000289774959 278094536 /nfs/dbraw/zinc/09/45/36/278094536.db2.gz JZRRUACNPBLPIY-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228077249 278297951 /nfs/dbraw/zinc/29/79/51/278297951.db2.gz RBTBOMIVXXZFTA-DCAQKATOSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@H](F)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000351731267 279390269 /nfs/dbraw/zinc/39/02/69/279390269.db2.gz UNEQNWDSWVDOTC-VIFPVBQESA-N 0 3 253.277 2.096 20 5 CEBDHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000185440796 279433174 /nfs/dbraw/zinc/43/31/74/279433174.db2.gz XGYIXMHVWIJXAL-UHFFFAOYSA-N 0 3 296.327 2.279 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](O)C1 ZINC000272365442 281021871 /nfs/dbraw/zinc/02/18/71/281021871.db2.gz SWSJFDZZTQXCME-JQWIXIFHSA-N 0 3 250.298 2.031 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCCOCC3)nc2c1 ZINC000446852311 281787293 /nfs/dbraw/zinc/78/72/93/281787293.db2.gz JELHZKHJKKUOJS-SNVBAGLBSA-N 0 3 290.323 2.130 20 5 CEBDHN C[C@H](N[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963668 290046935 /nfs/dbraw/zinc/04/69/35/290046935.db2.gz REWPPHCKZACSLO-JQWIXIFHSA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1[nH]ncc1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356518488 293136368 /nfs/dbraw/zinc/13/63/68/293136368.db2.gz DVSLPLMCQVFLFY-UHFFFAOYSA-N 0 3 288.307 2.021 20 5 CEBDHN CCCNC(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518795887 297631015 /nfs/dbraw/zinc/63/10/15/297631015.db2.gz IHNVIPNCGALOTK-ZDUSSCGKSA-N 0 3 291.351 2.088 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)C(C)C ZINC000536862396 298206162 /nfs/dbraw/zinc/20/61/62/298206162.db2.gz HOJRAQKWENTJMC-GFCCVEGCSA-N 0 3 293.367 2.326 20 5 CEBDHN CC(C)[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746920 299020904 /nfs/dbraw/zinc/02/09/04/299020904.db2.gz BSEULLNOKGAGME-TZMCWYRMSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000571203979 314077857 /nfs/dbraw/zinc/07/78/57/314077857.db2.gz DBEYUTWSKHDNDD-OCCSQVGLSA-N 0 3 262.309 2.206 20 5 CEBDHN C=Cn1cc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000577338677 314364125 /nfs/dbraw/zinc/36/41/25/314364125.db2.gz AHCYJENAUSPNDG-UHFFFAOYSA-N 0 3 288.307 2.060 20 5 CEBDHN COCC[C@@]1(NCc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000583544878 322552423 /nfs/dbraw/zinc/55/24/23/322552423.db2.gz KKDIBMPNBICTAQ-OAHLLOKOSA-N 0 3 294.351 2.188 20 5 CEBDHN C[C@H](N[C@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294319980 518183460 /nfs/dbraw/zinc/18/34/60/518183460.db2.gz OHPKBNZXUADGNG-GWCFXTLKSA-N 0 3 293.367 2.379 20 5 CEBDHN Cc1cccc(C(=O)N2CCC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000068341202 524176891 /nfs/dbraw/zinc/17/68/91/524176891.db2.gz SARBDGRBHGJZPF-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC[C@H](O)C2)c1 ZINC000188831100 527355533 /nfs/dbraw/zinc/35/55/33/527355533.db2.gz JXPJEISIJXNIRP-SKDRFNHKSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000363451725 527387057 /nfs/dbraw/zinc/38/70/57/527387057.db2.gz WWONRQGRBGWIGS-KBPBESRZSA-N 0 3 276.336 2.453 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCCCC[C@H]32)c1 ZINC000366094444 527413769 /nfs/dbraw/zinc/41/37/69/527413769.db2.gz JKNMIOLBPQWOTD-DGCLKSJQSA-N 0 3 264.329 2.056 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960051 527774974 /nfs/dbraw/zinc/77/49/74/527774974.db2.gz NHVAQQRKPAEYDH-NILFDRSVSA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1sc(C(=O)N[C@@H](CN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733168314 574646919 /nfs/dbraw/zinc/64/69/19/574646919.db2.gz SXGSDTVVFAKJJV-JTQLQIEISA-N 0 3 299.396 2.281 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CN(C)C)C(C)C ZINC000750729248 575273204 /nfs/dbraw/zinc/27/32/04/575273204.db2.gz YXISHCDSKFUVNW-CQSZACIVSA-N 0 3 293.367 2.219 20 5 CEBDHN C[C@@H]1CSCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838276 575345088 /nfs/dbraw/zinc/34/50/88/575345088.db2.gz SEORQKCUECAUTK-FZMZJTMJSA-N 0 3 296.392 2.313 20 5 CEBDHN CC(COC(=O)c1cc(Cl)c(Cl)n1C)[N+](=O)[O-] ZINC000813104929 623023760 /nfs/dbraw/zinc/02/37/60/623023760.db2.gz SYIJAHRWBONAHT-RXMQYKEDSA-N 0 3 281.095 2.154 20 5 CEBDHN CC(COC(=O)C12CC3CC(CC(C3)C1)C2)[N+](=O)[O-] ZINC000813113340 623062243 /nfs/dbraw/zinc/06/22/43/623062243.db2.gz YWAKCOFNPNWJOR-BRZBPJHZSA-N 0 3 267.325 2.411 20 5 CEBDHN COc1ccc(SCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113983 623067487 /nfs/dbraw/zinc/06/74/87/623067487.db2.gz KSTQEXURGIZQER-JTQLQIEISA-N 0 3 299.348 2.386 20 5 CEBDHN CC(COC(=O)[C@H]1COc2ccc(Cl)cc2C1)[N+](=O)[O-] ZINC000813115622 623085253 /nfs/dbraw/zinc/08/52/53/623085253.db2.gz WRDFLDSMKPYMNS-WCBMZHEXSA-N 0 3 299.710 2.100 20 5 CEBDHN CO[C@H]1CC[C@H]1N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124403 624245664 /nfs/dbraw/zinc/24/56/64/624245664.db2.gz HSQQJYYGYHXMKY-YPMHNXCESA-N 0 3 280.324 2.083 20 5 CEBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000892622430 627319066 /nfs/dbraw/zinc/31/90/66/627319066.db2.gz PHYOCBIFPMDYCO-JUDXGUMMSA-N 0 3 294.351 2.438 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])c1ccncc1CO ZINC000893816616 629005028 /nfs/dbraw/zinc/00/50/28/629005028.db2.gz LDDJRQRGIQLZAV-UHFFFAOYSA-N 0 3 287.319 2.161 20 5 CEBDHN CN1C[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941993 629056552 /nfs/dbraw/zinc/05/65/52/629056552.db2.gz YGFJBWKRYKSYLH-DOMZBBRYSA-N 0 3 298.346 2.283 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928427508 629504876 /nfs/dbraw/zinc/50/48/76/629504876.db2.gz MZVWGZJRCWHHEP-VXGBXAGGSA-N 0 3 291.351 2.034 20 5 CEBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928457054 629721566 /nfs/dbraw/zinc/72/15/66/629721566.db2.gz OUIDKAUUKQPXBN-KCJUWKMLSA-N 0 3 297.742 2.071 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000894902539 629742435 /nfs/dbraw/zinc/74/24/35/629742435.db2.gz ZSCAUPWIYXWOPV-JTQLQIEISA-N 0 3 266.297 2.197 20 5 CEBDHN CC(COC(=O)c1ccccc1Br)[N+](=O)[O-] ZINC000813100066 632621131 /nfs/dbraw/zinc/62/11/31/632621131.db2.gz LMEZCWPXKRPIJN-ZETCQYMHSA-N 0 3 288.097 2.271 20 5 CEBDHN CC(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000813103070 632622130 /nfs/dbraw/zinc/62/21/30/632622130.db2.gz MSFNVDNMTDDQHD-VIFPVBQESA-N 0 3 252.270 2.027 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC(C)C)c1 ZINC000813102858 632622166 /nfs/dbraw/zinc/62/21/66/632622166.db2.gz KLDGKEYOYUDKEA-JTQLQIEISA-N 0 3 297.307 2.304 20 5 CEBDHN COc1cccc(/C(C)=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104495 632622383 /nfs/dbraw/zinc/62/23/83/632622383.db2.gz NHOAVKMULPXIBQ-PFEDMVJOSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCC(F)(F)C1)[N+](=O)[O-] ZINC000813107439 632624935 /nfs/dbraw/zinc/62/49/35/632624935.db2.gz QMGZSHJESAJDOX-JGVFFNPUSA-N 0 3 251.229 2.020 20 5 CEBDHN CC(COC(=O)c1ncoc1-c1ccccc1)[N+](=O)[O-] ZINC000813109742 632626229 /nfs/dbraw/zinc/62/62/29/632626229.db2.gz VWVWARFRRGLYGY-VIFPVBQESA-N 0 3 276.248 2.164 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000813110103 632626442 /nfs/dbraw/zinc/62/64/42/632626442.db2.gz ZIVOMZCGTLRKDU-ZKXNXJMVSA-N 0 3 267.256 2.437 20 5 CEBDHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OCC ZINC000813110244 632626860 /nfs/dbraw/zinc/62/68/60/632626860.db2.gz VNQGLTNEFAOWNG-SNVBAGLBSA-N 0 3 297.307 2.306 20 5 CEBDHN COc1cccc([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114505 632628512 /nfs/dbraw/zinc/62/85/12/632628512.db2.gz SASZKKCNYQGMMX-JIMOISOXSA-N 0 3 279.292 2.007 20 5 CEBDHN COc1cccc([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114506 632628724 /nfs/dbraw/zinc/62/87/24/632628724.db2.gz SASZKKCNYQGMMX-TVYUQYBPSA-N 0 3 279.292 2.007 20 5 CEBDHN CC(COC(=O)c1sccc1C1CC1)[N+](=O)[O-] ZINC000813114871 632629074 /nfs/dbraw/zinc/62/90/74/632629074.db2.gz IGMJQZJNJUTBHL-SSDOTTSWSA-N 0 3 255.295 2.448 20 5 CEBDHN CC(COC(=O)c1ccnc2ccccc21)[N+](=O)[O-] ZINC000813115445 632629148 /nfs/dbraw/zinc/62/91/48/632629148.db2.gz SGKNQWJZMMAFSJ-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN Cc1ccc2nc(C(=O)OCC(C)[N+](=O)[O-])ccc2c1 ZINC000816091300 633115414 /nfs/dbraw/zinc/11/54/14/633115414.db2.gz RGTFLQLFVCHHDE-SNVBAGLBSA-N 0 3 274.276 2.365 20 5 CEBDHN COc1cc([C@H](C)NCCn2cccn2)cc([N+](=O)[O-])c1 ZINC000903116090 634978957 /nfs/dbraw/zinc/97/89/57/634978957.db2.gz KBAMBNVTAAJHNN-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN COCC1(N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903138974 634987435 /nfs/dbraw/zinc/98/74/35/634987435.db2.gz BURAKARYPARTQW-JTQLQIEISA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC(CCO)C1 ZINC000903333614 635066006 /nfs/dbraw/zinc/06/60/06/635066006.db2.gz RMLAQXAWXZUNCX-VOMCLLRMSA-N 0 3 294.351 2.415 20 5 CEBDHN CCc1ccc(C(C)(C)CNCC[N+](=O)[O-])cc1 ZINC000905155286 635832759 /nfs/dbraw/zinc/83/27/59/635832759.db2.gz SYTRTKSRNMSUAN-UHFFFAOYSA-N 0 3 250.342 2.393 20 5 CEBDHN O=[N+]([O-])CCN[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000905135932 635840189 /nfs/dbraw/zinc/84/01/89/635840189.db2.gz XVVNEZXCPMXIFO-NSHDSACASA-N 0 3 283.759 2.175 20 5 CEBDHN O=[N+]([O-])CCNCCNC(c1ccccc1)c1ccccc1 ZINC000905687923 636382015 /nfs/dbraw/zinc/38/20/15/636382015.db2.gz RHLPVGCWTBEMGA-UHFFFAOYSA-N 0 3 299.374 2.232 20 5 CEBDHN CC(C)C[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217894 637256817 /nfs/dbraw/zinc/25/68/17/637256817.db2.gz NSEBFENRTMKYEY-GFCCVEGCSA-N 0 3 299.758 2.238 20 5 CEBDHN CCN1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910288012 637979293 /nfs/dbraw/zinc/97/92/93/637979293.db2.gz JJVNQPCBTWQIKD-SNVBAGLBSA-N 0 3 297.380 2.213 20 5 CEBDHN Cc1cc(F)c(CC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000835457131 638264241 /nfs/dbraw/zinc/26/42/41/638264241.db2.gz XGPHWJMVWHEBKM-MRVPVSSYSA-N 0 3 273.235 2.024 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000226129893 639525631 /nfs/dbraw/zinc/52/56/31/639525631.db2.gz JFZNCVDJTZGVQJ-SECBINFHSA-N 0 3 297.742 2.072 20 5 CEBDHN CC(COC(=O)c1coc2ccc(F)cc21)[N+](=O)[O-] ZINC000842802334 640187392 /nfs/dbraw/zinc/18/73/92/640187392.db2.gz VPJUAHUDBHWXFX-ZETCQYMHSA-N 0 3 267.212 2.394 20 5 CEBDHN Cn1cnc(CCNCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000313249234 640194358 /nfs/dbraw/zinc/19/43/58/640194358.db2.gz DKUAWFUPUAPCQB-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2C[C@@]2(CO)C1 ZINC000877462990 650730749 /nfs/dbraw/zinc/73/07/49/650730749.db2.gz XYKNFHUEJXDILL-DOMZBBRYSA-N 0 3 276.336 2.026 20 5 CEBDHN CC[C@H](NCCN(C)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000850550510 642750556 /nfs/dbraw/zinc/75/05/56/642750556.db2.gz PSVZYJFXEPCOPT-ZDUSSCGKSA-N 0 3 295.339 2.334 20 5 CEBDHN CC(COC(=O)c1cccc(N2CCCC2)c1)[N+](=O)[O-] ZINC000851036967 642890578 /nfs/dbraw/zinc/89/05/78/642890578.db2.gz OSEOCOUUTSBONG-LLVKDONJSA-N 0 3 278.308 2.109 20 5 CEBDHN CC(C)(C)[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853203630 643701810 /nfs/dbraw/zinc/70/18/10/643701810.db2.gz PFAVMJRMQSZWNR-UHFFFAOYSA-N 0 3 294.355 2.370 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)C2CC2)C2CC2)cc1 ZINC000838907592 644064589 /nfs/dbraw/zinc/06/45/89/644064589.db2.gz SLRAVLKJQUEAHX-HNNXBMFYSA-N 0 3 276.336 2.330 20 5 CEBDHN CCOc1cccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776730 645902596 /nfs/dbraw/zinc/90/25/96/645902596.db2.gz HOKHIGCJLLERFT-TVRMLOFPSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)c1nccc2ccsc21)[N+](=O)[O-] ZINC000860777118 645902773 /nfs/dbraw/zinc/90/27/73/645902773.db2.gz KMCPZOKHPFWQNO-SSDOTTSWSA-N 0 3 266.278 2.118 20 5 CEBDHN Cc1ccccc1CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777731 645902842 /nfs/dbraw/zinc/90/28/42/645902842.db2.gz ULQPZGOXZFVIGI-RYUDHWBXSA-N 0 3 281.308 2.109 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)C1CC1 ZINC000771805802 646552588 /nfs/dbraw/zinc/55/25/88/646552588.db2.gz VEONRUVUJMUSMK-LLVKDONJSA-N 0 3 270.716 2.109 20 5 CEBDHN CO[C@H](C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988863 647975565 /nfs/dbraw/zinc/97/55/65/647975565.db2.gz PZDKGKSGSSDTKN-MRVPVSSYSA-N 0 3 258.705 2.373 20 5 CEBDHN Cc1cccc(CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870377379 648789473 /nfs/dbraw/zinc/78/94/73/648789473.db2.gz QJECONLQLDPFAP-NWDGAFQWSA-N 0 3 281.308 2.109 20 5 CEBDHN COC/C=C\C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454243 648819288 /nfs/dbraw/zinc/81/92/88/648819288.db2.gz JCMCWXPXSHDBHM-PBUULLBXSA-N 0 3 297.282 2.278 20 5 CEBDHN CN1CCC[C@H]2[C@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779809 649487043 /nfs/dbraw/zinc/48/70/43/649487043.db2.gz IKZZUNRGBXKJJF-MNOVXSKESA-N 0 3 296.758 2.316 20 5 CEBDHN Cc1noc(CN2C[C@@H]3CC=CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000879530784 651317824 /nfs/dbraw/zinc/31/78/24/651317824.db2.gz HTBXJYHCPFEHOU-PHIMTYICSA-N 0 3 263.297 2.289 20 5 CEBDHN CC1(C)C[C@@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879618557 651330891 /nfs/dbraw/zinc/33/08/91/651330891.db2.gz XNYJIPYZLNSSNT-CYBMUJFWSA-N 0 3 294.351 2.066 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](CF)C2)c1 ZINC000880237046 651406290 /nfs/dbraw/zinc/40/62/90/651406290.db2.gz PAOFQSXOXHIQJD-BXUZGUMPSA-N 0 3 282.315 2.310 20 5 CEBDHN C[C@@H](NC[C@@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570072 807247530 /nfs/dbraw/zinc/24/75/30/807247530.db2.gz NXHNDKQSIGELMM-PRHODGIISA-N 0 3 274.267 2.262 20 5 CEBDHN Nc1cc(NC[C@H]2CCCCN2C2CC2)ncc1[N+](=O)[O-] ZINC001120927643 807354540 /nfs/dbraw/zinc/35/45/40/807354540.db2.gz ZGANJKOBLOPZEX-LLVKDONJSA-N 0 3 291.355 2.001 20 5 CEBDHN CC[C@H](C[C@@H](C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000716828985 815152273 /nfs/dbraw/zinc/15/22/73/815152273.db2.gz KTQLLGXYKBQOOI-MWLCHTKSSA-N 0 3 270.304 2.373 20 5 CEBDHN Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCN(C)C1 ZINC001229883536 809621715 /nfs/dbraw/zinc/62/17/15/809621715.db2.gz WCIWXYSUHYACJB-NSHDSACASA-N 0 3 250.298 2.295 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC001168959139 811313748 /nfs/dbraw/zinc/31/37/48/811313748.db2.gz UADSLITXLUIWHO-GHMZBOCLSA-N 0 3 275.308 2.363 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncccc2Cl)C1 ZINC001168969054 811320755 /nfs/dbraw/zinc/32/07/55/811320755.db2.gz BSGBNKCTSWSUAE-ZJUUUORDSA-N 0 3 269.732 2.270 20 5 CEBDHN C[C@@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168995613 811324430 /nfs/dbraw/zinc/32/44/30/811324430.db2.gz SGBORONWFCUZCJ-OPRDCNLKSA-N 0 3 255.343 2.239 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc([O-])cc2F)C1 ZINC001168988122 811338400 /nfs/dbraw/zinc/33/84/00/811338400.db2.gz OBCFQVWZWZABNB-GXSJLCMTSA-N 0 3 268.288 2.066 20 5 CEBDHN COc1ccc(C[C@H](C)n2ccc(CN)n2)c([N+](=O)[O-])c1 ZINC001170295647 812374515 /nfs/dbraw/zinc/37/45/15/812374515.db2.gz DBNHNAWFCLLHES-JTQLQIEISA-N 0 3 290.323 2.062 20 5 CEBDHN CN1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000712544732 814765114 /nfs/dbraw/zinc/76/51/14/814765114.db2.gz ZABDRJRSNAUBKR-LLVKDONJSA-N 0 3 269.732 2.042 20 5 CEBDHN CCN1CC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712548729 814765658 /nfs/dbraw/zinc/76/56/58/814765658.db2.gz OBADQBOXOXROKR-MRVPVSSYSA-N 0 3 293.352 2.106 20 5 CEBDHN CC/C=C(\C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124344647 815611063 /nfs/dbraw/zinc/61/10/63/815611063.db2.gz OAGHJWNFNNOGHP-UUILKARUSA-N 0 3 291.351 2.157 20 5 CEBDHN Cc1cc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC001173218916 815624871 /nfs/dbraw/zinc/62/48/71/815624871.db2.gz TWUNBGKBJIMKLI-LLVKDONJSA-N 0 3 288.351 2.358 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)C2CC2)n1 ZINC000124352661 187133747 /nfs/dbraw/zinc/13/37/47/187133747.db2.gz JQDFGBLPGCJBMB-SNVBAGLBSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H](N[C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601289890 346813836 /nfs/dbraw/zinc/81/38/36/346813836.db2.gz VVIHSXNBNHWZKH-FOGDFJRCSA-N 0 3 250.298 2.016 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@@H](CO)C1 ZINC000601291822 346814061 /nfs/dbraw/zinc/81/40/61/346814061.db2.gz ODMOCVYMBPRCTM-MXWKQRLJSA-N 0 3 280.324 2.025 20 5 CEBDHN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125201801 187174211 /nfs/dbraw/zinc/17/42/11/187174211.db2.gz GMPIXKYLOVMLSO-TZMCWYRMSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc(NC(=O)[C@H]2C[C@H](C)CCN2)cc1[N+](=O)[O-] ZINC000126041270 187212195 /nfs/dbraw/zinc/21/21/95/187212195.db2.gz QCDRAYAZJIEURL-BXKDBHETSA-N 0 3 277.324 2.230 20 5 CEBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000294986376 199285441 /nfs/dbraw/zinc/28/54/41/199285441.db2.gz HCNKPZHVUIXMGC-CMPLNLGQSA-N 0 3 288.294 2.397 20 5 CEBDHN CCCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000042978117 362132271 /nfs/dbraw/zinc/13/22/71/362132271.db2.gz MIBLEXYMOXFQSY-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449493565 282257095 /nfs/dbraw/zinc/25/70/95/282257095.db2.gz FDINYSBHTRBAGD-BXUZGUMPSA-N 0 3 264.325 2.452 20 5 CEBDHN C[C@@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046860621 343505451 /nfs/dbraw/zinc/50/54/51/343505451.db2.gz BSRNJYQGMAUQLN-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@H]1CCCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046860622 343504980 /nfs/dbraw/zinc/50/49/80/343504980.db2.gz BSRNJYQGMAUQLN-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN COc1ccc(CNC[C@H](C)SC)cc1[N+](=O)[O-] ZINC000128131011 187353828 /nfs/dbraw/zinc/35/38/28/187353828.db2.gz DIHLHCNXXMXAMR-VIFPVBQESA-N 0 3 270.354 2.445 20 5 CEBDHN CC(C)CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602441534 347034867 /nfs/dbraw/zinc/03/48/67/347034867.db2.gz OPYGUQVVBSTTDE-ZDUSSCGKSA-N 0 3 291.351 2.247 20 5 CEBDHN COc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1[N+](=O)[O-] ZINC000136479143 344385272 /nfs/dbraw/zinc/38/52/72/344385272.db2.gz IAPCZOBOTZEROB-NSHDSACASA-N 0 3 293.323 2.074 20 5 CEBDHN Cc1nc(N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161560962 344464815 /nfs/dbraw/zinc/46/48/15/344464815.db2.gz JKZZDQAHGAOBAI-KOLCDFICSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)C1CCC1 ZINC000449739294 282347871 /nfs/dbraw/zinc/34/78/71/282347871.db2.gz JWTYTFWZTQDGKD-CQSZACIVSA-N 0 3 264.325 2.154 20 5 CEBDHN CCN[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602498006 347057949 /nfs/dbraw/zinc/05/79/49/347057949.db2.gz CGQGZAKJHOBJON-NSHDSACASA-N 0 3 291.351 2.084 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1NCCN1CCCCCC1 ZINC000401199920 344867212 /nfs/dbraw/zinc/86/72/12/344867212.db2.gz CYHJBUAMEPUFJG-UHFFFAOYSA-N 0 3 282.319 2.417 20 5 CEBDHN C[C@@H](CF)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000589207910 345072085 /nfs/dbraw/zinc/07/20/85/345072085.db2.gz ZIRCTCYIEBKFLE-UWVGGRQHSA-N 0 3 283.303 2.260 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1sccc1[N+](=O)[O-] ZINC000591464231 345259882 /nfs/dbraw/zinc/25/98/82/345259882.db2.gz SUYWHGMDCATXRQ-SECBINFHSA-N 0 3 255.343 2.187 20 5 CEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNC2(C3CC3)CC2)c1 ZINC000593023345 345424704 /nfs/dbraw/zinc/42/47/04/345424704.db2.gz QPQCCCSGUXRJOD-UHFFFAOYSA-N 0 3 290.319 2.414 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047779 345428624 /nfs/dbraw/zinc/42/86/24/345428624.db2.gz DSIQYFNENDZLJU-AAEUAGOBSA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CF)CC2)c1 ZINC000295112972 199351476 /nfs/dbraw/zinc/35/14/76/199351476.db2.gz ITDUDVMHTPFUTP-AWEZNQCLSA-N 0 3 282.315 2.310 20 5 CEBDHN COc1cc(CN2CCCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000594016817 345567235 /nfs/dbraw/zinc/56/72/35/345567235.db2.gz JFCCDHVNUFZSGZ-ZDUSSCGKSA-N 0 3 294.351 2.340 20 5 CEBDHN COc1cc(CN2CCCCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000594016816 345567298 /nfs/dbraw/zinc/56/72/98/345567298.db2.gz JFCCDHVNUFZSGZ-CYBMUJFWSA-N 0 3 294.351 2.340 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCNCc1cnc2n1CCC2 ZINC000594929854 345706338 /nfs/dbraw/zinc/70/63/38/345706338.db2.gz OSLGPXGOVKPYQQ-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CCO ZINC000595009881 345726077 /nfs/dbraw/zinc/72/60/77/345726077.db2.gz UEMSYFLYYCQPMV-NXEZZACHSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCOC1 ZINC000595009266 345726139 /nfs/dbraw/zinc/72/61/39/345726139.db2.gz BHHUCHZXEVRANZ-GHMZBOCLSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(N(C)C)CC1 ZINC000595045081 345734280 /nfs/dbraw/zinc/73/42/80/345734280.db2.gz RCYKITGYODNLOE-NSHDSACASA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCC[C@H]1O ZINC000595050076 345734876 /nfs/dbraw/zinc/73/48/76/345734876.db2.gz FSLDSKYKTMHCDG-ZWKOPEQDSA-N 0 3 280.324 2.167 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC1(CO)CC1 ZINC000595050714 345735019 /nfs/dbraw/zinc/73/50/19/345735019.db2.gz JOLHHXHSNHBUJM-LLVKDONJSA-N 0 3 294.351 2.417 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595457899 345788196 /nfs/dbraw/zinc/78/81/96/345788196.db2.gz CWSPIQVBBWZOOM-SKDRFNHKSA-N 0 3 268.288 2.249 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595633170 345833503 /nfs/dbraw/zinc/83/35/03/345833503.db2.gz OMGBTPVEUSRKLH-KWCYVHTRSA-N 0 3 276.336 2.188 20 5 CEBDHN COc1cc(CN2CC[C@H]3COC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595828998 345888478 /nfs/dbraw/zinc/88/84/78/345888478.db2.gz GCMCGLRZODHZSE-QWHCGFSZSA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@]12COC[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757099 345868116 /nfs/dbraw/zinc/86/81/16/345868116.db2.gz ZDRXFDOFGFUENM-OCCSQVGLSA-N 0 3 262.309 2.063 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[C@H]2C1 ZINC000595809605 345880865 /nfs/dbraw/zinc/88/08/65/345880865.db2.gz HZGOAHBAHMECRC-JQWIXIFHSA-N 0 3 262.309 2.445 20 5 CEBDHN CCCC[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596082867 345935963 /nfs/dbraw/zinc/93/59/63/345935963.db2.gz OLJODPYAZWYUHE-UHFFFAOYSA-N 0 3 294.355 2.372 20 5 CEBDHN CC(C)(C)N1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000596327053 346000587 /nfs/dbraw/zinc/00/05/87/346000587.db2.gz MZVWYHXHQCHZSM-JTQLQIEISA-N 0 3 264.329 2.275 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000597236279 346157495 /nfs/dbraw/zinc/15/74/95/346157495.db2.gz PCZROVKOVUVQNR-WFASDCNBSA-N 0 3 278.352 2.354 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H]1CCN(C)C1 ZINC000597946634 346255959 /nfs/dbraw/zinc/25/59/59/346255959.db2.gz QYJKGSSTYSRYBY-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN COC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062161053 362713332 /nfs/dbraw/zinc/71/33/32/362713332.db2.gz XIZKGWBLLFYQLG-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN CN(CCNC/C=C/c1ccccc1[N+](=O)[O-])CC(F)F ZINC000599022178 346447817 /nfs/dbraw/zinc/44/78/17/346447817.db2.gz IOQRJZFOYLWAOU-GQCTYLIASA-N 0 3 299.321 2.395 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCCCC2)nc1 ZINC000599125696 346463867 /nfs/dbraw/zinc/46/38/67/346463867.db2.gz AKDLRGDYJDPSHM-ZDUSSCGKSA-N 0 3 290.367 2.231 20 5 CEBDHN C/C=C/C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690705 346568516 /nfs/dbraw/zinc/56/85/16/346568516.db2.gz PJZMUESAOFRQPD-IBUXWKBASA-N 0 3 278.356 2.470 20 5 CEBDHN CN1CCC[C@@]2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC000601169887 346775706 /nfs/dbraw/zinc/77/57/06/346775706.db2.gz QHTHBYKOGDQNJS-CQSZACIVSA-N 0 3 294.330 2.051 20 5 CEBDHN CC(C)O[C@H]1C[C@H](NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616201 347104355 /nfs/dbraw/zinc/10/43/55/347104355.db2.gz ILHSBKRBAGPBHO-RYUDHWBXSA-N 0 3 296.371 2.010 20 5 CEBDHN Cn1cc(CN2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602685467 347145390 /nfs/dbraw/zinc/14/53/90/347145390.db2.gz GXOMHNLWZJDTRT-GVUJHPQVSA-N 0 3 290.367 2.196 20 5 CEBDHN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000602750838 347185139 /nfs/dbraw/zinc/18/51/39/347185139.db2.gz FCQSPYKOIMOYHD-GFCCVEGCSA-N 0 3 281.381 2.182 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC(F)(F)CC1 ZINC000602919305 347247387 /nfs/dbraw/zinc/24/73/87/347247387.db2.gz XYFNBCULOCTSPU-UHFFFAOYSA-N 0 3 288.298 2.221 20 5 CEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000611370855 347770819 /nfs/dbraw/zinc/77/08/19/347770819.db2.gz SEDKWCKSBLGGEL-RKDXNWHRSA-N 0 3 287.410 2.138 20 5 CEBDHN COCC1(N(C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000611178832 347748323 /nfs/dbraw/zinc/74/83/23/347748323.db2.gz PGKNRXICEKSJOT-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCCF)C2)nc1 ZINC000351872543 219232804 /nfs/dbraw/zinc/23/28/04/219232804.db2.gz DNKJLDRYKUJPEP-NSHDSACASA-N 0 3 282.319 2.226 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000619531790 349194962 /nfs/dbraw/zinc/19/49/62/349194962.db2.gz PMNNCNDYOFVWEV-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774023 180038308 /nfs/dbraw/zinc/03/83/08/180038308.db2.gz JJCMPJZQGFCINQ-MNOVXSKESA-N 0 3 250.298 2.343 20 5 CEBDHN CCC[C@@H](NC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847942 180044092 /nfs/dbraw/zinc/04/40/92/180044092.db2.gz XHZBROFGIDSXBJ-CABCVRRESA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@H]1[C@@H](CO)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061935 233326301 /nfs/dbraw/zinc/32/63/01/233326301.db2.gz ANLZDWHTYGTCMK-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN COC1CC(N(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000352212133 219365297 /nfs/dbraw/zinc/36/52/97/219365297.db2.gz NVBUXRBKOAOUGR-UHFFFAOYSA-N 0 3 250.298 2.204 20 5 CEBDHN CCC[C@H](N[C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018658 186345271 /nfs/dbraw/zinc/34/52/71/186345271.db2.gz URWVKBMRHJBSTL-OCCSQVGLSA-N 0 3 291.351 2.304 20 5 CEBDHN Cc1ccccc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000130980395 366011313 /nfs/dbraw/zinc/01/13/13/366011313.db2.gz CKNHSBMBDJEKNY-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN CC[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153241195 188072766 /nfs/dbraw/zinc/07/27/66/188072766.db2.gz LRZDBWAJWHJRIM-AWEZNQCLSA-N 0 3 264.325 2.330 20 5 CEBDHN CCOc1ccc([C@@H](C)NCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153804028 188104626 /nfs/dbraw/zinc/10/46/26/188104626.db2.gz QRSWMTGSVWOFKB-GHMZBOCLSA-N 0 3 282.340 2.415 20 5 CEBDHN CC[C@@H]1CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292555966 198330713 /nfs/dbraw/zinc/33/07/13/198330713.db2.gz YXOOEWDZWWEEGF-LLVKDONJSA-N 0 3 277.324 2.408 20 5 CEBDHN CC(C)c1ccc(CNC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000338172164 366219567 /nfs/dbraw/zinc/21/95/67/366219567.db2.gz HNHLRERGFSTNOI-CYBMUJFWSA-N 0 3 294.351 2.223 20 5 CEBDHN C[C@@H](O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553177 283032055 /nfs/dbraw/zinc/03/20/55/283032055.db2.gz XSFLUQPNQBVAEP-DGCLKSJQSA-N 0 3 264.325 2.155 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CN1C1CC1 ZINC000133523845 366232655 /nfs/dbraw/zinc/23/26/55/366232655.db2.gz QMYNBBRDOADCAI-NXEZZACHSA-N 0 3 262.313 2.027 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@]3(CCSC3)C2)c1 ZINC000451963989 283152831 /nfs/dbraw/zinc/15/28/31/283152831.db2.gz IKPZSCJZWYEJMF-ZDUSSCGKSA-N 0 3 296.396 2.010 20 5 CEBDHN COC[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000452032588 283164919 /nfs/dbraw/zinc/16/49/19/283164919.db2.gz WSMUFZBOYITYDU-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1nccn1CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338344337 366306446 /nfs/dbraw/zinc/30/64/46/366306446.db2.gz BBKJSKNPNRVVBW-UHFFFAOYSA-N 0 3 288.351 2.274 20 5 CEBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000075960934 363502376 /nfs/dbraw/zinc/50/23/76/363502376.db2.gz ZSWWMTXKJYMUPH-SNVBAGLBSA-N 0 3 292.339 2.199 20 5 CEBDHN COc1cccc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000134917819 366372283 /nfs/dbraw/zinc/37/22/83/366372283.db2.gz JLZWQGIDJVVGKI-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3C[C@@H](O)C3)o2)c1 ZINC000294832591 199203178 /nfs/dbraw/zinc/20/31/78/199203178.db2.gz LRNYVLNUOBZKMS-BJHJDKERSA-N 0 3 288.303 2.468 20 5 CEBDHN CCc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000570850938 299281147 /nfs/dbraw/zinc/28/11/47/299281147.db2.gz FAXVKFHFZVODRO-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000578501060 366503670 /nfs/dbraw/zinc/50/36/70/366503670.db2.gz VYNQTJPGQOEFGX-CYBMUJFWSA-N 0 3 293.367 2.129 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC(C)(C)O ZINC000274746260 192752638 /nfs/dbraw/zinc/75/26/38/192752638.db2.gz LKKLTSWAQGFKIY-UHFFFAOYSA-N 0 3 282.340 2.244 20 5 CEBDHN CCOC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081519055 363723347 /nfs/dbraw/zinc/72/33/47/363723347.db2.gz LRCKCDHGVYATRJ-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN COCC[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000081713523 363737056 /nfs/dbraw/zinc/73/70/56/363737056.db2.gz YGCVKGXSIOFLBA-JTQLQIEISA-N 0 3 268.313 2.118 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342323504 216311098 /nfs/dbraw/zinc/31/10/98/216311098.db2.gz HTWVYRIMUGMRFT-OUAUKWLOSA-N 0 3 252.314 2.323 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342323501 216311885 /nfs/dbraw/zinc/31/18/85/216311885.db2.gz HTWVYRIMUGMRFT-DCAQKATOSA-N 0 3 252.314 2.323 20 5 CEBDHN Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000019476573 361537241 /nfs/dbraw/zinc/53/72/41/361537241.db2.gz CSEGGGPRAIZKRN-NSHDSACASA-N 0 3 265.313 2.215 20 5 CEBDHN COCCN1CCC[C@H]1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000301804471 201208047 /nfs/dbraw/zinc/20/80/47/201208047.db2.gz DPOWAWZLURECSC-ZDUSSCGKSA-N 0 3 293.367 2.426 20 5 CEBDHN CCN(C)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439977 363811166 /nfs/dbraw/zinc/81/11/66/363811166.db2.gz NBDJBIVGYHWLAD-UHFFFAOYSA-N 0 3 271.748 2.290 20 5 CEBDHN Cc1ccc(CNC[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000089164942 363944087 /nfs/dbraw/zinc/94/40/87/363944087.db2.gz FQIYHTXUGFWBOU-OCCSQVGLSA-N 0 3 264.325 2.154 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090530028 364062315 /nfs/dbraw/zinc/06/23/15/364062315.db2.gz ZWKLOCOFPIENEB-RYUDHWBXSA-N 0 3 279.340 2.019 20 5 CEBDHN CN(CC1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103452731 364656321 /nfs/dbraw/zinc/65/63/21/364656321.db2.gz KFBZUPLLSGFPDB-UHFFFAOYSA-N 0 3 291.351 2.009 20 5 CEBDHN CS[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000275417574 193028562 /nfs/dbraw/zinc/02/85/62/193028562.db2.gz HEEVZSWMEAEYHM-OLZOCXBDSA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@](O)(CNCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000582840949 366964676 /nfs/dbraw/zinc/96/46/76/366964676.db2.gz RMJLQLVQEYRKSK-NSHDSACASA-N 0 3 292.257 2.040 20 5 CEBDHN Cc1c(CN2CC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000162757816 367187307 /nfs/dbraw/zinc/18/73/07/367187307.db2.gz MLXOOPVBUCHVSO-DGCLKSJQSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766127 367409897 /nfs/dbraw/zinc/40/98/97/367409897.db2.gz LWCQSUQZJVQMQW-GFCCVEGCSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@H](N[C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173432251 367910862 /nfs/dbraw/zinc/91/08/62/367910862.db2.gz XLTNQLHCQJHFST-XDTLVQLUSA-N 0 3 250.298 2.159 20 5 CEBDHN COC[C@@H](C)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000178029897 368286373 /nfs/dbraw/zinc/28/63/73/368286373.db2.gz RFZQTYGUXLNVRS-NSHDSACASA-N 0 3 252.314 2.309 20 5 CEBDHN CC1=CCN(CCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000358153330 370926896 /nfs/dbraw/zinc/92/68/96/370926896.db2.gz CZHKUVMQOSCPCS-UHFFFAOYSA-N 0 3 275.352 2.336 20 5 CEBDHN Cc1cc(NCCN2[C@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348181187 368937253 /nfs/dbraw/zinc/93/72/53/368937253.db2.gz NAHMSGAJFOOBOA-BETUJISGSA-N 0 3 292.383 2.395 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(CCO)CC1CC1 ZINC000348714862 369130066 /nfs/dbraw/zinc/13/00/66/369130066.db2.gz ZKYAPEUEKZSADN-UHFFFAOYSA-N 0 3 264.325 2.108 20 5 CEBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000350040159 369490166 /nfs/dbraw/zinc/49/01/66/369490166.db2.gz TZJBBCCGYDBGBH-UHFFFAOYSA-N 0 3 292.335 2.479 20 5 CEBDHN CO[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189296597 369490657 /nfs/dbraw/zinc/49/06/57/369490657.db2.gz LLRPSOPMFQNOKM-DOMZBBRYSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(C)CC1 ZINC000194360966 370031318 /nfs/dbraw/zinc/03/13/18/370031318.db2.gz AFTSRDGGTYOYQL-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)[C@@H]1CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023152 369986668 /nfs/dbraw/zinc/98/66/68/369986668.db2.gz GXDVIDJUVPTOJS-STQMWFEESA-N 0 3 294.351 2.065 20 5 CEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)C ZINC000353924273 370137792 /nfs/dbraw/zinc/13/77/92/370137792.db2.gz VSPRCFYZFBKJLL-SNVBAGLBSA-N 0 3 294.355 2.229 20 5 CEBDHN CC[C@H](NC[C@@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714854 370382061 /nfs/dbraw/zinc/38/20/61/370382061.db2.gz XTMPWJVJXBUPGX-KBPBESRZSA-N 0 3 282.340 2.297 20 5 CEBDHN CCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000226253194 370333133 /nfs/dbraw/zinc/33/31/33/370333133.db2.gz TVKKSKVISNIVCG-ZDUSSCGKSA-N 0 3 252.314 2.236 20 5 CEBDHN CCC[C@H](CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000231393173 370479453 /nfs/dbraw/zinc/47/94/53/370479453.db2.gz CUQKDIPOWLZWKS-GFCCVEGCSA-N 0 3 266.341 2.483 20 5 CEBDHN CC(C)OC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000337325408 214009119 /nfs/dbraw/zinc/00/91/19/214009119.db2.gz BVPUPCDUNUPIKZ-LLVKDONJSA-N 0 3 252.314 2.498 20 5 CEBDHN COc1ccc(CN[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344332540 217155932 /nfs/dbraw/zinc/15/59/32/217155932.db2.gz OGRVMLBQOLKSLP-DGCLKSJQSA-N 0 3 293.367 2.176 20 5 CEBDHN CS[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270418496 372781112 /nfs/dbraw/zinc/78/11/12/372781112.db2.gz ZJFCSSBOGCMXQK-OLZOCXBDSA-N 0 3 299.371 2.216 20 5 CEBDHN O=[N+]([O-])c1cnn([C@H]2CCCN(C[C@@H]3CCC=CO3)C2)c1 ZINC000365337982 372830202 /nfs/dbraw/zinc/83/02/02/372830202.db2.gz RNSPJXJUVQBBHE-JSGCOSHPSA-N 0 3 292.339 2.121 20 5 CEBDHN COc1cc(N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272257541 373390450 /nfs/dbraw/zinc/39/04/50/373390450.db2.gz ZNPGBOXINSXBHK-BXUZGUMPSA-N 0 3 291.351 2.134 20 5 CEBDHN C[C@H](CCCCO)NCc1ccccc1[N+](=O)[O-] ZINC000272490666 373514107 /nfs/dbraw/zinc/51/41/07/373514107.db2.gz UJTBFVOKFRSGBH-LLVKDONJSA-N 0 3 252.314 2.236 20 5 CEBDHN COc1cccc(CNCCc2cccc([N+](=O)[O-])c2)n1 ZINC000276619294 374239308 /nfs/dbraw/zinc/23/93/08/374239308.db2.gz KVVWFVBXITWNIK-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN O=[N+]([O-])c1ccn(C2CCN(CCC(F)(F)F)CC2)n1 ZINC000373246066 374305927 /nfs/dbraw/zinc/30/59/27/374305927.db2.gz VDDUAANSHQASKV-UHFFFAOYSA-N 0 3 292.261 2.381 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@H](CO)C2)c1 ZINC000374051577 374473235 /nfs/dbraw/zinc/47/32/35/374473235.db2.gz RWSDIPYYOXZMMP-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000408464800 375488436 /nfs/dbraw/zinc/48/84/36/375488436.db2.gz FTUBZRASCVIVHY-VHSXEESVSA-N 0 3 282.319 2.048 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283189344 375670189 /nfs/dbraw/zinc/67/01/89/375670189.db2.gz QONLYUPAFSHCCS-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158078 375819318 /nfs/dbraw/zinc/81/93/18/375819318.db2.gz PQZVDAXCMWVWSV-KOLCDFICSA-N 0 3 265.313 2.007 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)[C@H]1C ZINC000414567173 375860602 /nfs/dbraw/zinc/86/06/02/375860602.db2.gz GJXLSBTXHBISSA-TZMCWYRMSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1c([C@@H](C)NCC(C)(C)OCCO)cccc1[N+](=O)[O-] ZINC000287342797 376212005 /nfs/dbraw/zinc/21/20/05/376212005.db2.gz NDBOJZBLYXDVRU-GFCCVEGCSA-N 0 3 296.367 2.341 20 5 CEBDHN CC[C@@H](CN(C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000419271295 376421404 /nfs/dbraw/zinc/42/14/04/376421404.db2.gz SFCITVROLYSSIW-AWEZNQCLSA-N 0 3 266.341 2.494 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000556959035 376527659 /nfs/dbraw/zinc/52/76/59/376527659.db2.gz NMIQFQJVMNWSPL-AWEZNQCLSA-N 0 3 277.368 2.429 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000264365519 190105504 /nfs/dbraw/zinc/10/55/04/190105504.db2.gz CIJAJMYYUZCJIB-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CCN1CCC(N(C)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000330542058 377178766 /nfs/dbraw/zinc/17/87/66/377178766.db2.gz NEWGKNXHBWKFFY-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@]1(C)CO ZINC000331021976 377243067 /nfs/dbraw/zinc/24/30/67/377243067.db2.gz SLZRYGOAOZFKIP-CABCVRRESA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000293325860 377522620 /nfs/dbraw/zinc/52/26/20/377522620.db2.gz GEGPSRHKBLQDGP-BETUJISGSA-N 0 3 277.368 2.162 20 5 CEBDHN Cc1c(CN2CCC[C@@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293341533 377526509 /nfs/dbraw/zinc/52/65/09/377526509.db2.gz YUEXTTNUPPKIJC-CYBMUJFWSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1ccnc(N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265230184 190167675 /nfs/dbraw/zinc/16/76/75/190167675.db2.gz QPEBADHBPUFQKC-GFCCVEGCSA-N 0 3 278.356 2.076 20 5 CEBDHN COC[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000265743280 190203172 /nfs/dbraw/zinc/20/31/72/190203172.db2.gz CUEDJYWPBLKOML-NSHDSACASA-N 0 3 250.298 2.063 20 5 CEBDHN CC(C)N(C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293864844 377793792 /nfs/dbraw/zinc/79/37/92/377793792.db2.gz DNZHZKYWWMRHAM-UHFFFAOYSA-N 0 3 293.367 2.286 20 5 CEBDHN CC[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000294366543 377984244 /nfs/dbraw/zinc/98/42/44/377984244.db2.gz QQBAGCNSKJZDHD-QLFBSQMISA-N 0 3 294.351 2.175 20 5 CEBDHN CCN1CCC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000296240812 378463765 /nfs/dbraw/zinc/46/37/65/378463765.db2.gz FGLHGNMTMGLSRL-LLVKDONJSA-N 0 3 264.329 2.073 20 5 CEBDHN Cc1nc(N(C)[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450956176 378659282 /nfs/dbraw/zinc/65/92/82/378659282.db2.gz QVXMFMNUCXVDTN-LBPRGKRZSA-N 0 3 278.356 2.217 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCSCC3)nc2c1 ZINC000278667239 194091986 /nfs/dbraw/zinc/09/19/86/194091986.db2.gz LGRXCKPQOKOOMH-UHFFFAOYSA-N 0 3 292.364 2.456 20 5 CEBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCN(C2CCCC2)C1 ZINC000301169753 379210905 /nfs/dbraw/zinc/21/09/05/379210905.db2.gz DGLRVHJDUSEIRP-LLVKDONJSA-N 0 3 276.340 2.419 20 5 CEBDHN CSC[C@@H](CCO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643483 379537217 /nfs/dbraw/zinc/53/72/17/379537217.db2.gz FYDQUSOHHHPVAR-ZWNOBZJWSA-N 0 3 296.392 2.286 20 5 CEBDHN Cc1cccc(CN(C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000267118135 190305076 /nfs/dbraw/zinc/30/50/76/190305076.db2.gz ZJFZJLWMALUTGY-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN C[C@H]1C[C@@H]1N1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738897 380126707 /nfs/dbraw/zinc/12/67/07/380126707.db2.gz ZVUJQBNTFLVRJM-OBJOEFQTSA-N 0 3 290.367 2.156 20 5 CEBDHN Cc1cc(N(C)[C@@H]2CCN(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268197354 190385302 /nfs/dbraw/zinc/38/53/02/190385302.db2.gz WWCLTXMRASIINV-VXGBXAGGSA-N 0 3 278.356 2.075 20 5 CEBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489468707 380193983 /nfs/dbraw/zinc/19/39/83/380193983.db2.gz YLKLAXCNDCUKSY-JSGCOSHPSA-N 0 3 294.351 2.065 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(CN(C)C)CCC1 ZINC000281183021 195139038 /nfs/dbraw/zinc/13/90/38/195139038.db2.gz YWTBWFLVVGYISW-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COC(=O)[C@H](C)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133857860 533170650 /nfs/dbraw/zinc/17/06/50/533170650.db2.gz SCYJORMLNFLHEV-MNOVXSKESA-N 0 3 280.324 2.397 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCOC[C@@H]1C ZINC000192131120 130380186 /nfs/dbraw/zinc/38/01/86/130380186.db2.gz RSUBBNGWOYUKOS-GXFFZTMASA-N 0 3 280.324 2.118 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCOC1 ZINC000237952092 131068069 /nfs/dbraw/zinc/06/80/69/131068069.db2.gz HUWQXZNASULERJ-VUUYWXRKSA-N 0 3 262.309 2.377 20 5 CEBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000421015224 394464011 /nfs/dbraw/zinc/46/40/11/394464011.db2.gz WYDFMNZDBYEAPJ-LLVKDONJSA-N 0 3 281.331 2.260 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000413157186 394494489 /nfs/dbraw/zinc/49/44/89/394494489.db2.gz GWOISAKLKJOJHZ-IUCAKERBSA-N 0 3 268.292 2.024 20 5 CEBDHN Cc1cc(N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000356739416 394598935 /nfs/dbraw/zinc/59/89/35/394598935.db2.gz JIDXNXHAWDGADW-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000421884824 394626841 /nfs/dbraw/zinc/62/68/41/394626841.db2.gz FRBDUIWODOETMF-UHFFFAOYSA-N 0 3 291.351 2.036 20 5 CEBDHN CC(C)OCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332736237 394639101 /nfs/dbraw/zinc/63/91/01/394639101.db2.gz YKSHQLVCOWKKCY-UHFFFAOYSA-N 0 3 279.340 2.163 20 5 CEBDHN Cc1cc(N2CCC[C@H]3CN(C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000269079297 394711656 /nfs/dbraw/zinc/71/16/56/394711656.db2.gz DLGMQKTUCRVOQO-QWHCGFSZSA-N 0 3 290.367 2.219 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000115439515 394754272 /nfs/dbraw/zinc/75/42/72/394754272.db2.gz YRHXRAAHARYOOO-JTQLQIEISA-N 0 3 297.380 2.070 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272208081 394769208 /nfs/dbraw/zinc/76/92/08/394769208.db2.gz PTQRIEDSZDAXEA-FZMZJTMJSA-N 0 3 261.325 2.125 20 5 CEBDHN C[C@H]1CC[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123256889 394824977 /nfs/dbraw/zinc/82/49/77/394824977.db2.gz STJANSNMICGKQO-UWVGGRQHSA-N 0 3 277.324 2.067 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000364308487 394892790 /nfs/dbraw/zinc/89/27/90/394892790.db2.gz OSZBRTMARFCWST-FZMZJTMJSA-N 0 3 261.325 2.125 20 5 CEBDHN CCC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131107802 394903293 /nfs/dbraw/zinc/90/32/93/394903293.db2.gz KXDJSCFDUVNUBQ-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](O)C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000152548822 394997239 /nfs/dbraw/zinc/99/72/39/394997239.db2.gz VNAYQBQHMPCFIQ-AAEUAGOBSA-N 0 3 264.325 2.330 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CSC[C@@H]1C ZINC000285885282 394978613 /nfs/dbraw/zinc/97/86/13/394978613.db2.gz JRGMQFJWKTTZMC-CABZTGNLSA-N 0 3 282.365 2.445 20 5 CEBDHN C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000158445213 395045716 /nfs/dbraw/zinc/04/57/16/395045716.db2.gz AJDUYWNMGKAHSW-UWVGGRQHSA-N 0 3 289.339 2.366 20 5 CEBDHN COc1cc(CN[C@@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000433143691 395203283 /nfs/dbraw/zinc/20/32/83/395203283.db2.gz IEFXWIIBIDRWJC-JOYOIKCWSA-N 0 3 298.314 2.257 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000439292353 395258390 /nfs/dbraw/zinc/25/83/90/395258390.db2.gz GFOKVXRXKYJDQW-OAHLLOKOSA-N 0 3 294.351 2.340 20 5 CEBDHN CC[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592930 395387876 /nfs/dbraw/zinc/38/78/76/395387876.db2.gz QYNBFJOOHUEPDE-BXUZGUMPSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCNC[C@@](C)(F)C1 ZINC000420328043 395329257 /nfs/dbraw/zinc/32/92/57/395329257.db2.gz HALWOWMPBYTMAJ-BXUZGUMPSA-N 0 3 281.331 2.289 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)N(C)C)C1 ZINC000411938985 395342759 /nfs/dbraw/zinc/34/27/59/395342759.db2.gz NCQPMNKIMBIILY-NEPJUHHUSA-N 0 3 291.351 2.066 20 5 CEBDHN CCN1CCCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000572985942 395597099 /nfs/dbraw/zinc/59/70/99/395597099.db2.gz WSVFMFJLUOBUIG-UHFFFAOYSA-N 0 3 279.340 2.135 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451241931 395597385 /nfs/dbraw/zinc/59/73/85/395597385.db2.gz LYMIKRWUVRPPLR-GFCCVEGCSA-N 0 3 290.323 2.128 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H](C)O ZINC000449544287 395554131 /nfs/dbraw/zinc/55/41/31/395554131.db2.gz QEMPRTRHRVEFKE-GXFFZTMASA-N 0 3 252.314 2.152 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1COCC1(C)C ZINC000449625515 395557850 /nfs/dbraw/zinc/55/78/50/395557850.db2.gz SNMIXCGMSHDHJV-CYBMUJFWSA-N 0 3 264.325 2.418 20 5 CEBDHN CC[C@@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000568710200 395567091 /nfs/dbraw/zinc/56/70/91/395567091.db2.gz ZVJRWQIQUUZEAG-CQSZACIVSA-N 0 3 277.368 2.163 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)O ZINC000160618051 297439246 /nfs/dbraw/zinc/43/92/46/297439246.db2.gz WSGXMRZODOJMPO-SNVBAGLBSA-N 0 3 252.314 2.325 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC[C@@H]2CCOC2)cs1 ZINC000230165836 153386209 /nfs/dbraw/zinc/38/62/09/153386209.db2.gz AFLCONWIQMIUTA-SECBINFHSA-N 0 3 256.327 2.173 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCCN1CC ZINC000360896537 155397521 /nfs/dbraw/zinc/39/75/21/155397521.db2.gz HMWDZEYHPLSGEG-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCCN1CC ZINC000360896538 155397737 /nfs/dbraw/zinc/39/77/37/155397737.db2.gz HMWDZEYHPLSGEG-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN CO[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363677219 156040138 /nfs/dbraw/zinc/04/01/38/156040138.db2.gz RAYLCZJPWCKXNL-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cnc(NC2CC(N3CCCCC3)C2)s1 ZINC000367100792 156133337 /nfs/dbraw/zinc/13/33/37/156133337.db2.gz QUIJIDOAMVPWJN-UHFFFAOYSA-N 0 3 282.369 2.480 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@]23CCOC3)cc1 ZINC000367453516 156187464 /nfs/dbraw/zinc/18/74/64/156187464.db2.gz ZOCOFMLKLYWSHI-CQSZACIVSA-N 0 3 262.309 2.350 20 5 CEBDHN C[C@H]1CC[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834118 156244360 /nfs/dbraw/zinc/24/43/60/156244360.db2.gz VWUKHQXLVBUNNS-JSGCOSHPSA-N 0 3 278.356 2.303 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000368469236 156351094 /nfs/dbraw/zinc/35/10/94/156351094.db2.gz HJYADFJVUXVAMS-XHDPSFHLSA-N 0 3 292.335 2.214 20 5 CEBDHN CCN1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373721696 156892504 /nfs/dbraw/zinc/89/25/04/156892504.db2.gz VTPVZMBOHWYTDL-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN COCCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292204896 292362780 /nfs/dbraw/zinc/36/27/80/292362780.db2.gz SPTZBBKYTAXLPQ-UHFFFAOYSA-N 0 3 252.314 2.456 20 5 CEBDHN CS[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000286568171 286708676 /nfs/dbraw/zinc/70/86/76/286708676.db2.gz RFJACRBJBRTHEF-VXGBXAGGSA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@@H]1C[C@@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000548424783 298409955 /nfs/dbraw/zinc/40/99/55/298409955.db2.gz TXKSWMLEJKVCPG-GHMZBOCLSA-N 0 3 250.298 2.456 20 5 CEBDHN CCC[C@@H](NC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601472 172289811 /nfs/dbraw/zinc/28/98/11/172289811.db2.gz WMLAQAPLLCPWDD-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000285265529 196236728 /nfs/dbraw/zinc/23/67/28/196236728.db2.gz IFQKFQQEVXHBSJ-ZDUSSCGKSA-N 0 3 264.325 2.248 20 5 CEBDHN CN1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037403798 173179943 /nfs/dbraw/zinc/17/99/43/173179943.db2.gz CDRKCCIPKVQMDA-UHFFFAOYSA-N 0 3 283.759 2.386 20 5 CEBDHN CCn1cncc1CNCCc1ccccc1[N+](=O)[O-] ZINC000417918450 227169193 /nfs/dbraw/zinc/16/91/93/227169193.db2.gz BSOIEGBNQXWQCE-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN C[C@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739422 262384513 /nfs/dbraw/zinc/38/45/13/262384513.db2.gz WCZQJNGEWLJOMD-GARJFASQSA-N 0 3 296.396 2.218 20 5 CEBDHN CCn1ccnc1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000414295329 262837943 /nfs/dbraw/zinc/83/79/43/262837943.db2.gz FIRQCMOODBGTRH-UHFFFAOYSA-N 0 3 292.295 2.138 20 5 CEBDHN Cc1cc(NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000193950534 270290754 /nfs/dbraw/zinc/29/07/54/270290754.db2.gz ZKSMOKSWSBLZDM-CQSZACIVSA-N 0 3 293.367 2.162 20 5 CEBDHN CC[C@@](C)(CNCc1ccccc1[N+](=O)[O-])OC ZINC000322514431 270335064 /nfs/dbraw/zinc/33/50/64/270335064.db2.gz JULANKGDZGBBNP-ZDUSSCGKSA-N 0 3 252.314 2.500 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395213159 270345879 /nfs/dbraw/zinc/34/58/79/270345879.db2.gz QOKOHWMXUPKBPV-STQMWFEESA-N 0 3 294.351 2.196 20 5 CEBDHN CC[C@]1(O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428444336 271266461 /nfs/dbraw/zinc/26/64/61/271266461.db2.gz VMHSIENJAYEJSZ-PKYBCLHXSA-N 0 3 276.336 2.455 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CCO)C(C)C ZINC000430212490 271362683 /nfs/dbraw/zinc/36/26/83/271362683.db2.gz NPPSCHOWOVCGLP-CYBMUJFWSA-N 0 3 282.340 2.100 20 5 CEBDHN C[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994341 274539977 /nfs/dbraw/zinc/53/99/77/274539977.db2.gz FDSNOGBNALZFHP-ZANVPECISA-N 0 3 264.325 2.288 20 5 CEBDHN CN1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000364164297 277146777 /nfs/dbraw/zinc/14/67/77/277146777.db2.gz AXCQROIRWRYWDI-YGRLFVJLSA-N 0 3 279.315 2.264 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375050742 277147325 /nfs/dbraw/zinc/14/73/25/277147325.db2.gz SKHCZFRBIVHJFD-SKDRFNHKSA-N 0 3 296.758 2.174 20 5 CEBDHN CN1CC[C@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292459307 277186295 /nfs/dbraw/zinc/18/62/95/277186295.db2.gz ZWDQAWAXVSQMTM-AWEZNQCLSA-N 0 3 297.305 2.405 20 5 CEBDHN C[C@@H](NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177070 278347164 /nfs/dbraw/zinc/34/71/64/278347164.db2.gz RLLDEGCUDLLUGW-GFCCVEGCSA-N 0 3 263.341 2.341 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CCO)c2ccco2)cc1 ZINC000185079924 280362951 /nfs/dbraw/zinc/36/29/51/280362951.db2.gz HUMHGXVLJAJHQR-AWEZNQCLSA-N 0 3 290.319 2.444 20 5 CEBDHN Cc1cc(N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272830746 280558135 /nfs/dbraw/zinc/55/81/35/280558135.db2.gz LYTWRENUEQLZEN-UHFFFAOYSA-N 0 3 286.335 2.203 20 5 CEBDHN CC[C@H](NC[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380388 290131752 /nfs/dbraw/zinc/13/17/52/290131752.db2.gz BJCBDRBWRWMIRJ-OCCSQVGLSA-N 0 3 291.351 2.162 20 5 CEBDHN CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269761 297644302 /nfs/dbraw/zinc/64/43/02/297644302.db2.gz DXVGFDIITWFZHA-FPMFFAJLSA-N 0 3 276.336 2.331 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000576111788 314243395 /nfs/dbraw/zinc/24/33/95/314243395.db2.gz LBPMTMCKCIESJR-FZMZJTMJSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(CCO)CC1 ZINC000576291722 314261789 /nfs/dbraw/zinc/26/17/89/314261789.db2.gz QCYHMLNBEMGDKN-ZDUSSCGKSA-N 0 3 276.336 2.334 20 5 CEBDHN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccc1[O-] ZINC000576671585 314299501 /nfs/dbraw/zinc/29/95/01/314299501.db2.gz KAWKSYJCNHFHTI-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncccc1[O-] ZINC000576671585 314299502 /nfs/dbraw/zinc/29/95/02/314299502.db2.gz KAWKSYJCNHFHTI-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@H](C)C1 ZINC000560689687 327336750 /nfs/dbraw/zinc/33/67/50/327336750.db2.gz ZVFCYCIDTXGODE-PHIMTYICSA-N 0 3 266.345 2.078 20 5 CEBDHN Cc1c(CN2C[C@H](O)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000401691958 533847166 /nfs/dbraw/zinc/84/71/66/533847166.db2.gz GVNAZNOUZQVQHG-GXFFZTMASA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294910 534087526 /nfs/dbraw/zinc/08/75/26/534087526.db2.gz DETRGZVNCYKBAZ-IINYFYTJSA-N 0 3 264.325 2.333 20 5 CEBDHN CC(=O)c1ccc(NCCCN(C)C)c([N+](=O)[O-])c1 ZINC000067949583 518382811 /nfs/dbraw/zinc/38/28/11/518382811.db2.gz HIZZHDPMZDYNMJ-UHFFFAOYSA-N 0 3 265.313 2.161 20 5 CEBDHN CC(C)(C)C[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000227374298 534649359 /nfs/dbraw/zinc/64/93/59/534649359.db2.gz KFFLIDJPWOKNSI-LBPRGKRZSA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@@H](NC[C@@H](O)CSC)c1cccc([N+](=O)[O-])c1 ZINC000188233364 522851058 /nfs/dbraw/zinc/85/10/58/522851058.db2.gz DVEBACMLBVEXEF-CHWSQXEVSA-N 0 3 284.381 2.359 20 5 CEBDHN COc1ccc(CNCCSC)cc1[N+](=O)[O-] ZINC000069051807 524070950 /nfs/dbraw/zinc/07/09/50/524070950.db2.gz YRELYFPBAVLVEF-UHFFFAOYSA-N 0 3 256.327 2.056 20 5 CEBDHN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650005 525441940 /nfs/dbraw/zinc/44/19/40/525441940.db2.gz JSBDAIVAYOVGRJ-NXEZZACHSA-N 0 3 290.323 2.128 20 5 CEBDHN CSCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000151131093 525496721 /nfs/dbraw/zinc/49/67/21/525496721.db2.gz FXBAIUYUXQXEPO-UHFFFAOYSA-N 0 3 270.354 2.268 20 5 CEBDHN CC(C)NC(=O)[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350725 527711226 /nfs/dbraw/zinc/71/12/26/527711226.db2.gz USUPCKPAWKXBCN-NEPJUHHUSA-N 0 3 293.367 2.029 20 5 CEBDHN Cc1nn(CN2C[C@@H](C)C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954331 575241679 /nfs/dbraw/zinc/24/16/79/575241679.db2.gz MYVKNARVLQAIDS-UWVGGRQHSA-N 0 3 289.339 2.336 20 5 CEBDHN CC(COC(=O)C(C)(C)Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000813104022 623021022 /nfs/dbraw/zinc/02/10/22/623021022.db2.gz JBDNIRDODIBTPV-SECBINFHSA-N 0 3 285.271 2.192 20 5 CEBDHN CC(COC(=O)C[C@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813108069 623040796 /nfs/dbraw/zinc/04/07/96/623040796.db2.gz UURINUCKVKWXSU-QWRGUYRKSA-N 0 3 251.282 2.389 20 5 CEBDHN CC(COC(=O)Cc1cccc(C(F)F)c1)[N+](=O)[O-] ZINC000813112329 623057861 /nfs/dbraw/zinc/05/78/61/623057861.db2.gz FIMLVRMRFHEPKA-QMMMGPOBSA-N 0 3 273.235 2.375 20 5 CEBDHN Cc1cccc(CSCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115142 623079800 /nfs/dbraw/zinc/07/98/00/623079800.db2.gz LCNZMZLTKSWUKH-NSHDSACASA-N 0 3 283.349 2.437 20 5 CEBDHN Cc1cc(NCC[S@@](C)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000167380406 625649483 /nfs/dbraw/zinc/64/94/83/625649483.db2.gz OSUZZKODDKLIHX-FQEVSTJZSA-N 0 3 293.348 2.242 20 5 CEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cnn1C)c1cccs1 ZINC000891489075 623741403 /nfs/dbraw/zinc/74/14/03/623741403.db2.gz DDYFGWUQCIKBRI-VIFPVBQESA-N 0 3 295.368 2.105 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928430736 629587920 /nfs/dbraw/zinc/58/79/20/629587920.db2.gz ITYGFTZWIIJFKB-AAEUAGOBSA-N 0 3 291.351 2.034 20 5 CEBDHN CC(COC(=O)c1cnc2c(F)cccc2c1)[N+](=O)[O-] ZINC000797281007 630201878 /nfs/dbraw/zinc/20/18/78/630201878.db2.gz OXGHSDCXOAXZCQ-MRVPVSSYSA-N 0 3 278.239 2.196 20 5 CEBDHN C[C@@H](NCCC(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526180 630693161 /nfs/dbraw/zinc/69/31/61/630693161.db2.gz OVMNUXKVFBBBRP-GFCCVEGCSA-N 0 3 291.351 2.258 20 5 CEBDHN CN(CCC(=O)C1CC1)CCc1cccc([N+](=O)[O-])c1 ZINC000801602289 631298341 /nfs/dbraw/zinc/29/83/41/631298341.db2.gz ZVZDRFUHUOXVMQ-UHFFFAOYSA-N 0 3 276.336 2.438 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CC(CCO)C1 ZINC000898007353 631999378 /nfs/dbraw/zinc/99/93/78/631999378.db2.gz DFMGKQWJZAYNBK-UHFFFAOYSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1COC[C@@H]1C1CC1 ZINC000898388607 632477684 /nfs/dbraw/zinc/47/76/84/632477684.db2.gz UWLKDXVQUPWQTI-CHWSQXEVSA-N 0 3 262.309 2.109 20 5 CEBDHN CC(COC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813102011 632621450 /nfs/dbraw/zinc/62/14/50/632621450.db2.gz MUTOIPUXLBJTAA-VIFPVBQESA-N 0 3 295.339 2.338 20 5 CEBDHN CSc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102897 632622187 /nfs/dbraw/zinc/62/21/87/632622187.db2.gz LBOYWAHJYMTISD-ZJUUUORDSA-N 0 3 299.348 2.384 20 5 CEBDHN CC(COC(=O)CCc1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000813103739 632622291 /nfs/dbraw/zinc/62/22/91/632622291.db2.gz SAONAPKUROGMTE-JTQLQIEISA-N 0 3 276.292 2.309 20 5 CEBDHN CC(COC(=O)c1cc(Br)cs1)[N+](=O)[O-] ZINC000813105327 632623346 /nfs/dbraw/zinc/62/33/46/632623346.db2.gz LXLWTVHMBZJRMK-RXMQYKEDSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(COC(=O)c1cc2cccc(F)c2o1)[N+](=O)[O-] ZINC000813106959 632624349 /nfs/dbraw/zinc/62/43/49/632624349.db2.gz IXYDBRKPEIWWAL-SSDOTTSWSA-N 0 3 267.212 2.394 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C)c1F ZINC000813107681 632624827 /nfs/dbraw/zinc/62/48/27/632624827.db2.gz QKXCJUBVFLJZLT-VIFPVBQESA-N 0 3 255.245 2.265 20 5 CEBDHN CC(COC(=O)c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813108493 632625282 /nfs/dbraw/zinc/62/52/82/632625282.db2.gz YZZLMGQZAQQCCG-ZETCQYMHSA-N 0 3 293.197 2.407 20 5 CEBDHN CC(C)[C@@H]1C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813108756 632625614 /nfs/dbraw/zinc/62/56/14/632625614.db2.gz LKHOUKGHFSMPSJ-SRVKXCTJSA-N 0 3 273.329 2.036 20 5 CEBDHN Cc1ccnn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108331 632625923 /nfs/dbraw/zinc/62/59/23/632625923.db2.gz XNFMKFMYOYTCSP-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)c1ccc([C@H]2CCCOC2)cc1)[N+](=O)[O-] ZINC000813109717 632626452 /nfs/dbraw/zinc/62/64/52/632626452.db2.gz OFUYTGKKBDQWSN-FZMZJTMJSA-N 0 3 293.319 2.403 20 5 CEBDHN Cc1cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813109688 632626872 /nfs/dbraw/zinc/62/68/72/632626872.db2.gz NPHIWMCWPOBKDP-VIFPVBQESA-N 0 3 287.699 2.236 20 5 CEBDHN CC[C@@H](Oc1ccccc1C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110923 632627162 /nfs/dbraw/zinc/62/71/62/632627162.db2.gz MAKLEJDMVIHCIA-VXGBXAGGSA-N 0 3 281.308 2.361 20 5 CEBDHN CC(C)Cn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C1CC1 ZINC000813113556 632628024 /nfs/dbraw/zinc/62/80/24/632628024.db2.gz FWMGUXLYPOHAEK-SNVBAGLBSA-N 0 3 295.339 2.239 20 5 CEBDHN CCSc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813114236 632628524 /nfs/dbraw/zinc/62/85/24/632628524.db2.gz OGODULKJAYOHRM-MRVPVSSYSA-N 0 3 270.310 2.016 20 5 CEBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813114891 632629264 /nfs/dbraw/zinc/62/92/64/632629264.db2.gz ILYPUSWOCGCNEQ-GFCCVEGCSA-N 0 3 265.309 2.444 20 5 CEBDHN Cc1ncc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000818975102 634024848 /nfs/dbraw/zinc/02/48/48/634024848.db2.gz SUVVFTZBVPYECA-ZDUSSCGKSA-N 0 3 293.348 2.183 20 5 CEBDHN CC[C@H](N[C@@H]1COCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000903299112 635046568 /nfs/dbraw/zinc/04/65/68/635046568.db2.gz FCLYXYYNAMUKHX-RRFJBIMHSA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H](O)C1 ZINC000876527677 650304868 /nfs/dbraw/zinc/30/48/68/650304868.db2.gz KBZNUFRKNXBTBY-LBPRGKRZSA-N 0 3 264.325 2.168 20 5 CEBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCC(=O)N1 ZINC000835061730 638045196 /nfs/dbraw/zinc/04/51/96/638045196.db2.gz VLEFPBUOWWRTKX-ZDUSSCGKSA-N 0 3 297.742 2.007 20 5 CEBDHN C[C@H](NC[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208890 639746448 /nfs/dbraw/zinc/74/64/48/639746448.db2.gz AVJSVSMVIXRKBY-GWCFXTLKSA-N 0 3 280.324 2.397 20 5 CEBDHN CC(COC(=O)C[C@H](C)N1CCc2ccccc21)[N+](=O)[O-] ZINC000847714410 641748589 /nfs/dbraw/zinc/74/85/89/641748589.db2.gz UABZFXHCBDAWFE-NWDGAFQWSA-N 0 3 292.335 2.036 20 5 CEBDHN COC1CC(CN(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000859058561 645340685 /nfs/dbraw/zinc/34/06/85/645340685.db2.gz YIPXOROAOFUWJR-UHFFFAOYSA-N 0 3 264.325 2.452 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163589 645721934 /nfs/dbraw/zinc/72/19/34/645721934.db2.gz AYXRXHLQFOEUMX-MISXGVKJSA-N 0 3 290.319 2.069 20 5 CEBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849353 645816509 /nfs/dbraw/zinc/81/65/09/645816509.db2.gz PAOZLWFXPYXVLP-SKDRFNHKSA-N 0 3 293.348 2.436 20 5 CEBDHN CC[S@@](=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943852 645824584 /nfs/dbraw/zinc/82/45/84/645824584.db2.gz NEXOKFXITKSDDD-NSPYISDASA-N 0 3 284.381 2.322 20 5 CEBDHN CC(COC(=O)Cc1ccc(F)c(Cl)c1)[N+](=O)[O-] ZINC000860777549 645902671 /nfs/dbraw/zinc/90/26/71/645902671.db2.gz QFSUQWGOUFSNHJ-SSDOTTSWSA-N 0 3 275.663 2.230 20 5 CEBDHN C[C@H](Cc1cnccn1)NCc1ccc([N+](=O)[O-])cc1F ZINC000778078570 647198490 /nfs/dbraw/zinc/19/84/90/647198490.db2.gz NBBMDNILEYKCNH-SNVBAGLBSA-N 0 3 290.298 2.245 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CC2)c(Cl)c1 ZINC000784545115 647861571 /nfs/dbraw/zinc/86/15/71/647861571.db2.gz NUMSZXBBTUKGIJ-GFCCVEGCSA-N 0 3 270.716 2.109 20 5 CEBDHN CC(COC(=O)[C@@H](C)CC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000870376462 648788844 /nfs/dbraw/zinc/78/88/44/648788844.db2.gz KCLVOVKTLARVSF-UWVGGRQHSA-N 0 3 297.282 2.243 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1F ZINC000870377390 648789442 /nfs/dbraw/zinc/78/94/42/648789442.db2.gz QMVFPKPOHSUPNG-SSDOTTSWSA-N 0 3 259.208 2.095 20 5 CEBDHN CO[C@H]1CC[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317194 651282782 /nfs/dbraw/zinc/28/27/82/651282782.db2.gz CCFORZKCKUOOOA-DOMZBBRYSA-N 0 3 294.351 2.473 20 5 CEBDHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1COC ZINC000882960286 652291267 /nfs/dbraw/zinc/29/12/67/652291267.db2.gz FQFPXODPLFAMRN-ZDUSSCGKSA-N 0 3 279.340 2.247 20 5 CEBDHN COCCN1CCC(Oc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC001226953070 805804952 /nfs/dbraw/zinc/80/49/52/805804952.db2.gz QZSBVQXJHAXCPW-UHFFFAOYSA-N 0 3 294.351 2.393 20 5 CEBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000716018915 815013880 /nfs/dbraw/zinc/01/38/80/815013880.db2.gz CTJPBGLPYVYTNK-SKDRFNHKSA-N 0 3 293.348 2.436 20 5 CEBDHN CN1CCCC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC001120884837 815290759 /nfs/dbraw/zinc/29/07/59/815290759.db2.gz QXGXSPHXLOXZBJ-VIFPVBQESA-N 0 3 268.292 2.025 20 5 CEBDHN Cc1cc(O[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1C ZINC001230472030 810540334 /nfs/dbraw/zinc/54/03/34/810540334.db2.gz ZHTDYGXWZMMHOC-LLVKDONJSA-N 0 3 250.298 2.295 20 5 CEBDHN COc1cccc(F)c1CN[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976198 811304629 /nfs/dbraw/zinc/30/46/29/811304629.db2.gz ZHSMIIRFQPXBRV-QWRGUYRKSA-N 0 3 282.315 2.369 20 5 CEBDHN NCc1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975484 811322848 /nfs/dbraw/zinc/32/28/48/811322848.db2.gz VXQRGIPSCKQQMO-WDEREUQCSA-N 0 3 274.324 2.113 20 5 CEBDHN NCc1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975483 811323083 /nfs/dbraw/zinc/32/30/83/811323083.db2.gz VXQRGIPSCKQQMO-QWRGUYRKSA-N 0 3 274.324 2.113 20 5 CEBDHN CCOc1cc(NC[C@H]2CCN2CC)ccc1[N+](=O)[O-] ZINC000712551221 814766098 /nfs/dbraw/zinc/76/60/98/814766098.db2.gz XSARWPRBFKTGCL-GFCCVEGCSA-N 0 3 279.340 2.500 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(C)n1 ZINC001173218269 815625143 /nfs/dbraw/zinc/62/51/43/815625143.db2.gz PKGDDMGWBLGZFO-LLVKDONJSA-N 0 3 274.324 2.049 20 5 CEBDHN CC(C)(NC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000492332830 290604293 /nfs/dbraw/zinc/60/42/93/290604293.db2.gz IHMQDLCTDGDYAU-NSHDSACASA-N 0 3 264.325 2.456 20 5 CEBDHN CC[C@H](N[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000121301719 365548619 /nfs/dbraw/zinc/54/86/19/365548619.db2.gz PWEGMBBSFCJUNJ-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000122752504 365631196 /nfs/dbraw/zinc/63/11/96/365631196.db2.gz SPFFYSATAKRKDK-QWRGUYRKSA-N 0 3 291.351 2.172 20 5 CEBDHN CC[C@H](CO)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449374660 282204319 /nfs/dbraw/zinc/20/43/19/282204319.db2.gz BMQLJDXYZRNKSS-FWPCIQOSSA-N 0 3 264.325 2.311 20 5 CEBDHN CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000029606941 343400978 /nfs/dbraw/zinc/40/09/78/343400978.db2.gz YPHCIGMJVRRCNI-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1ncccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000037650659 343430282 /nfs/dbraw/zinc/43/02/82/343430282.db2.gz NGTYDAKIAOWELI-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000043468030 343464163 /nfs/dbraw/zinc/46/41/63/343464163.db2.gz UGZIKJIXGGPBNL-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000052072616 343554887 /nfs/dbraw/zinc/55/48/87/343554887.db2.gz FKEBUMOQATZPIK-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN CC(C)CN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378445 343735386 /nfs/dbraw/zinc/73/53/86/343735386.db2.gz FOHAPBASSQFBPF-CQSZACIVSA-N 0 3 291.351 2.288 20 5 CEBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1CC1 ZINC000048579957 362288046 /nfs/dbraw/zinc/28/80/46/362288046.db2.gz GUCGFMWEHMDADO-SNVBAGLBSA-N 0 3 277.324 2.264 20 5 CEBDHN COCC[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000088494245 344110064 /nfs/dbraw/zinc/11/00/64/344110064.db2.gz LTUYVKDJKOVBIU-LLVKDONJSA-N 0 3 252.314 2.452 20 5 CEBDHN CCN[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468124 347044856 /nfs/dbraw/zinc/04/48/56/347044856.db2.gz UGNSTZIXBLFCJI-QWRGUYRKSA-N 0 3 279.340 2.078 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](O)C1CCC1 ZINC000449742342 282349270 /nfs/dbraw/zinc/34/92/70/282349270.db2.gz YYNZNPZWPCGTDQ-UFRMUOTOSA-N 0 3 276.336 2.359 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000052102938 362466306 /nfs/dbraw/zinc/46/63/06/362466306.db2.gz JWHYSPYCKUYULM-AWEZNQCLSA-N 0 3 280.324 2.084 20 5 CEBDHN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279676054 344673286 /nfs/dbraw/zinc/67/32/86/344673286.db2.gz DWXCAIZGFKKQQL-AWEZNQCLSA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@@H](NC1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000313131514 344741632 /nfs/dbraw/zinc/74/16/32/344741632.db2.gz DORIEBIWTKGVHN-CQSZACIVSA-N 0 3 280.324 2.051 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313850147 344743996 /nfs/dbraw/zinc/74/39/96/344743996.db2.gz SBIJRXBHTAHUEA-LBPRGKRZSA-N 0 3 293.302 2.174 20 5 CEBDHN C[C@H](O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159708 344709577 /nfs/dbraw/zinc/70/95/77/344709577.db2.gz DUVDABPIFSPMDJ-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN O=C(CCN1CC(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000589656495 345092891 /nfs/dbraw/zinc/09/28/91/345092891.db2.gz MJOWDFQLKYCAAL-UHFFFAOYSA-N 0 3 289.335 2.265 20 5 CEBDHN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877333 345103755 /nfs/dbraw/zinc/10/37/55/345103755.db2.gz WFLDMTNRIGDRSL-GFCCVEGCSA-N 0 3 290.367 2.300 20 5 CEBDHN CC[C@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591147254 345224483 /nfs/dbraw/zinc/22/44/83/345224483.db2.gz CBROMJOTNRLEBB-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN CC1(C)C[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591264498 345235632 /nfs/dbraw/zinc/23/56/32/345235632.db2.gz NYFKCJDYHPDKFR-ZDUSSCGKSA-N 0 3 278.308 2.254 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1sccc1[N+](=O)[O-] ZINC000591464232 345259861 /nfs/dbraw/zinc/25/98/61/345259861.db2.gz SUYWHGMDCATXRQ-VIFPVBQESA-N 0 3 255.343 2.187 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](CO)CCF ZINC000593685095 345520728 /nfs/dbraw/zinc/52/07/28/345520728.db2.gz FFYGJNQTJOSMIK-LWMSPQMPSA-N 0 3 282.315 2.308 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719501 345527383 /nfs/dbraw/zinc/52/73/83/345527383.db2.gz YZSQTJYVHXNJAB-CMPLNLGQSA-N 0 3 270.304 2.274 20 5 CEBDHN Cc1ccc([C@H](C)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000595066855 345738846 /nfs/dbraw/zinc/73/88/46/345738846.db2.gz FOIZDEAIMBWDFX-UFFNRZRYSA-N 0 3 250.298 2.102 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595106153 345742873 /nfs/dbraw/zinc/74/28/73/345742873.db2.gz JXCXFVKZBWGQPN-YUTCNCBUSA-N 0 3 262.309 2.349 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595110251 345743227 /nfs/dbraw/zinc/74/32/27/345743227.db2.gz ZQIAPDLUOGDGHP-WQAKAFBOSA-N 0 3 250.298 2.423 20 5 CEBDHN CC[C@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917036 345700680 /nfs/dbraw/zinc/70/06/80/345700680.db2.gz FYIKOZGVMALAHV-NEPJUHHUSA-N 0 3 280.324 2.261 20 5 CEBDHN CO[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594950985 345714730 /nfs/dbraw/zinc/71/47/30/345714730.db2.gz LQZICFUELVKVRY-UKRRQHHQSA-N 0 3 294.351 2.044 20 5 CEBDHN CC(C)c1ccc(CNC/C=C\CO)cc1[N+](=O)[O-] ZINC000594973050 345720273 /nfs/dbraw/zinc/72/02/73/345720273.db2.gz CBULEAQGLXSBBU-ARJAWSKDSA-N 0 3 264.325 2.356 20 5 CEBDHN CC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006932 345725192 /nfs/dbraw/zinc/72/51/92/345725192.db2.gz MXSWBEDTMFFOFT-UWVGGRQHSA-N 0 3 268.313 2.025 20 5 CEBDHN COCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009660 345726226 /nfs/dbraw/zinc/72/62/26/345726226.db2.gz ZEEPQRGVXPHYDP-SNVBAGLBSA-N 0 3 268.313 2.291 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CCCO ZINC000595022264 345729514 /nfs/dbraw/zinc/72/95/14/345729514.db2.gz TTYPEGGJWTYELJ-MNOVXSKESA-N 0 3 282.340 2.415 20 5 CEBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O ZINC000595041484 345733266 /nfs/dbraw/zinc/73/32/66/345733266.db2.gz MCWVZNRJPYGCAL-BREBYQMCSA-N 0 3 282.340 2.413 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC/C=C/CO)CCC2 ZINC000595066080 345737843 /nfs/dbraw/zinc/73/78/43/345737843.db2.gz BUOLAALJYXZRCX-YUKKFKLSSA-N 0 3 262.309 2.110 20 5 CEBDHN C[C@@H](N[C@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595064678 345738234 /nfs/dbraw/zinc/73/82/34/345738234.db2.gz AFEBXJBICZPYSZ-GHMZBOCLSA-N 0 3 264.325 2.406 20 5 CEBDHN Cc1c([C@H](C)NC/C=C\CO)cccc1[N+](=O)[O-] ZINC000595067636 345738554 /nfs/dbraw/zinc/73/85/54/345738554.db2.gz HGLZMFKUEBQEFD-BYCRGOAPSA-N 0 3 250.298 2.102 20 5 CEBDHN COc1cc(CN2C[C@H]3COC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757998 345869305 /nfs/dbraw/zinc/86/93/05/345869305.db2.gz LSHBRTNVSHLSGF-SWLSCSKDSA-N 0 3 292.335 2.072 20 5 CEBDHN C[NH+](C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596055542 345929013 /nfs/dbraw/zinc/92/90/13/345929013.db2.gz WTEURDRPZRDROZ-UHFFFAOYSA-N 0 3 294.355 2.372 20 5 CEBDHN Cc1cc(NCCN2CCCC2)c([N+](=O)[O-])s1 ZINC000596059544 345930512 /nfs/dbraw/zinc/93/05/12/345930512.db2.gz PVNRVZYOEVWVPR-UHFFFAOYSA-N 0 3 255.343 2.472 20 5 CEBDHN CN(C)CCSc1c(Cl)cncc1[N+](=O)[O-] ZINC000596155346 345954233 /nfs/dbraw/zinc/95/42/33/345954233.db2.gz IEEVYYFPFBQVRL-UHFFFAOYSA-N 0 3 261.734 2.297 20 5 CEBDHN Cc1cc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])s1 ZINC000596194506 345966470 /nfs/dbraw/zinc/96/64/70/345966470.db2.gz MRLZVIZOQLNAKT-UHFFFAOYSA-N 0 3 269.370 2.495 20 5 CEBDHN CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000596501802 346040310 /nfs/dbraw/zinc/04/03/10/346040310.db2.gz OYJWTUHFQIHXTC-ZDUSSCGKSA-N 0 3 292.339 2.057 20 5 CEBDHN COc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053092 346121075 /nfs/dbraw/zinc/12/10/75/346121075.db2.gz PCBWWRLSSFXNKP-IUODEOHRSA-N 0 3 292.335 2.261 20 5 CEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N(C)C ZINC000273276959 192097891 /nfs/dbraw/zinc/09/78/91/192097891.db2.gz HPVNZTDKXOQLIB-LMMOQWNQSA-N 0 3 291.351 2.064 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000598343777 346331901 /nfs/dbraw/zinc/33/19/01/346331901.db2.gz XNQLUVBVYSRHGA-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1ccc(CN[C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000598992260 346443347 /nfs/dbraw/zinc/44/33/47/346443347.db2.gz ZIDMKZUYNIKNKS-CYBMUJFWSA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1CNCC1CC=CC1)OCCO2 ZINC000598992477 346443493 /nfs/dbraw/zinc/44/34/93/346443493.db2.gz PHVYHJAVYMJHLD-UHFFFAOYSA-N 0 3 290.319 2.422 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)nc2)cc1 ZINC000600787269 346689983 /nfs/dbraw/zinc/68/99/83/346689983.db2.gz YPEQXTVESIVLER-UHFFFAOYSA-N 0 3 284.319 2.066 20 5 CEBDHN CC(C)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148401 346769848 /nfs/dbraw/zinc/76/98/48/346769848.db2.gz BIEJREGDJFTNAZ-CYBMUJFWSA-N 0 3 252.314 2.048 20 5 CEBDHN CCC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236902210 370650455 /nfs/dbraw/zinc/65/04/55/370650455.db2.gz RJEGIFBLXKWDTE-JQWIXIFHSA-N 0 3 279.340 2.208 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601104597 346753545 /nfs/dbraw/zinc/75/35/45/346753545.db2.gz AZXUXSUTJFFCAD-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN CC(C)(C)N1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601192746 346782576 /nfs/dbraw/zinc/78/25/76/346782576.db2.gz ZWRPTQUJPSDLME-SNVBAGLBSA-N 0 3 282.319 2.414 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CNCCC[C@H]3CCO3)nc2c1 ZINC000602637188 347116979 /nfs/dbraw/zinc/11/69/79/347116979.db2.gz MKVYHNQSZQXKFV-NSHDSACASA-N 0 3 290.323 2.130 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(=O)[nH]c1 ZINC000602658112 347127796 /nfs/dbraw/zinc/12/77/96/347127796.db2.gz JIEWOFRVESMMGU-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN C[C@@H](NC[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802047 347205337 /nfs/dbraw/zinc/20/53/37/347205337.db2.gz OLDDZYCZLJZUAU-MFKMUULPSA-N 0 3 287.323 2.024 20 5 CEBDHN CC(C)C[C@@H]1OCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602814424 347210963 /nfs/dbraw/zinc/21/09/63/347210963.db2.gz ARDHKQNBTPQUGJ-OLZOCXBDSA-N 0 3 296.371 2.012 20 5 CEBDHN COCCCCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965620 347258485 /nfs/dbraw/zinc/25/84/85/347258485.db2.gz KBXPGFYFZXZELD-HNNXBMFYSA-N 0 3 296.367 2.209 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223300 347314199 /nfs/dbraw/zinc/31/41/99/347314199.db2.gz IFMDCNAXVSWSOP-LLVKDONJSA-N 0 3 293.302 2.174 20 5 CEBDHN C[C@H](NCCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538832 347690242 /nfs/dbraw/zinc/69/02/42/347690242.db2.gz GUOZHSFWUYTPHZ-STQMWFEESA-N 0 3 294.351 2.299 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CCC[C@H]21 ZINC000610585251 347693973 /nfs/dbraw/zinc/69/39/73/347693973.db2.gz HNMKCNDODRXQJD-NWDGAFQWSA-N 0 3 262.309 2.458 20 5 CEBDHN CN(C)CCOC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411891 347775331 /nfs/dbraw/zinc/77/53/31/347775331.db2.gz BTZHEDFCMRQIAW-UHFFFAOYSA-N 0 3 299.396 2.203 20 5 CEBDHN COCC1(N(C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000611178913 347748764 /nfs/dbraw/zinc/74/87/64/347748764.db2.gz SGTAAYRMMQNAMQ-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H]1CCN(CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498305 347786534 /nfs/dbraw/zinc/78/65/34/347786534.db2.gz AVCYTFNTLYMWHF-LLVKDONJSA-N 0 3 281.331 2.165 20 5 CEBDHN Cc1n[nH]cc1[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000611520892 347790249 /nfs/dbraw/zinc/79/02/49/347790249.db2.gz UKXVCZNRYUIWPN-SNVBAGLBSA-N 0 3 290.323 2.356 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)CC1CC1 ZINC000612580823 347903897 /nfs/dbraw/zinc/90/38/97/347903897.db2.gz UQLISRIPMLDBOS-ZDUSSCGKSA-N 0 3 264.325 2.154 20 5 CEBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCC(C)CC1 ZINC000067273454 362905322 /nfs/dbraw/zinc/90/53/22/362905322.db2.gz RVAHVCFVVRDSBO-NSHDSACASA-N 0 3 295.339 2.038 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H](CC)CO)cc1[N+](=O)[O-] ZINC000271142685 190962393 /nfs/dbraw/zinc/96/23/93/190962393.db2.gz OQNUWHDRGPRSSD-ZYHUDNBSSA-N 0 3 282.340 2.415 20 5 CEBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000619783605 349236341 /nfs/dbraw/zinc/23/63/41/349236341.db2.gz USWOERIWYSYCKZ-SECBINFHSA-N 0 3 266.326 2.204 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC(C)CC1 ZINC000091554551 180189826 /nfs/dbraw/zinc/18/98/26/180189826.db2.gz CXPNNHKGVYLMKI-UHFFFAOYSA-N 0 3 295.387 2.263 20 5 CEBDHN CC(C)[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000092392608 180376068 /nfs/dbraw/zinc/37/60/68/180376068.db2.gz YBLKFIFQHDZSPX-GFCCVEGCSA-N 0 3 272.732 2.355 20 5 CEBDHN CCC(CC)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109130246 186244386 /nfs/dbraw/zinc/24/43/86/186244386.db2.gz QZWRDZDHJRMTGE-CQSZACIVSA-N 0 3 291.351 2.478 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000110490158 186299497 /nfs/dbraw/zinc/29/94/97/186299497.db2.gz VYZUTRMEMPFTCZ-VXGBXAGGSA-N 0 3 295.314 2.009 20 5 CEBDHN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000122656295 187044426 /nfs/dbraw/zinc/04/44/26/187044426.db2.gz WWSUHCHUPPZPJT-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN CO[C@H](C)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292235767 198212069 /nfs/dbraw/zinc/21/20/69/198212069.db2.gz WFSYHHVXZSTMFX-SNVBAGLBSA-N 0 3 252.314 2.454 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCCC3)CC2)nc1 ZINC000152432916 188018383 /nfs/dbraw/zinc/01/83/83/188018383.db2.gz OIAZSZPBUSTOGH-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN CN1[C@@H]2CC[C@H]1CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC000153875360 188109309 /nfs/dbraw/zinc/10/93/09/188109309.db2.gz QEFFCCLIEJIJSG-WDEREUQCSA-N 0 3 296.758 2.316 20 5 CEBDHN CN(CCO)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000157741940 188336038 /nfs/dbraw/zinc/33/60/38/188336038.db2.gz FGTFTYCXHVYHFS-UHFFFAOYSA-N 0 3 276.292 2.279 20 5 CEBDHN C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000337231662 366093892 /nfs/dbraw/zinc/09/38/92/366093892.db2.gz XJBITOIGFJHFSL-ZJUUUORDSA-N 0 3 268.288 2.249 20 5 CEBDHN CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451553434 283032896 /nfs/dbraw/zinc/03/28/96/283032896.db2.gz YQSSFYCTWUQNJI-WFASDCNBSA-N 0 3 294.351 2.330 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CN1C1CC1 ZINC000133524039 366232917 /nfs/dbraw/zinc/23/29/17/366232917.db2.gz QMYNBBRDOADCAI-VHSXEESVSA-N 0 3 262.313 2.027 20 5 CEBDHN C[C@@H]1CCC(C)(C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452001069 283158901 /nfs/dbraw/zinc/15/89/01/283158901.db2.gz CJKGGMBJRYWZKB-SNVBAGLBSA-N 0 3 291.351 2.457 20 5 CEBDHN Cc1nn(CCN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000575430786 366285559 /nfs/dbraw/zinc/28/55/59/366285559.db2.gz KBTIOUBMNWEART-QWRGUYRKSA-N 0 3 266.345 2.078 20 5 CEBDHN COc1cccc(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928237 366375847 /nfs/dbraw/zinc/37/58/47/366375847.db2.gz DZFZVQPTMAAKPZ-GHMZBOCLSA-N 0 3 279.340 2.498 20 5 CEBDHN C[C@H](N[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469291 199052323 /nfs/dbraw/zinc/05/23/23/199052323.db2.gz WNPJUXUVUKPBBX-ONGXEEELSA-N 0 3 265.313 2.007 20 5 CEBDHN CC(C)[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465134 366444631 /nfs/dbraw/zinc/44/46/31/366444631.db2.gz HGQXBSHOIWBKND-MFKMUULPSA-N 0 3 252.314 2.262 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341714530 216076243 /nfs/dbraw/zinc/07/62/43/216076243.db2.gz UGTJAZHYJKBQQO-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN COC(=O)[C@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000177434668 189051141 /nfs/dbraw/zinc/05/11/41/189051141.db2.gz DGTFHVMXCKONDC-OAHLLOKOSA-N 0 3 292.335 2.288 20 5 CEBDHN C[C@@H](NCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446578 189255995 /nfs/dbraw/zinc/25/59/95/189255995.db2.gz OBICHUPJTQZZFM-MNOVXSKESA-N 0 3 278.308 2.199 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1[O-] ZINC000342299232 216299598 /nfs/dbraw/zinc/29/95/98/216299598.db2.gz LKYBPSUQJGYYSQ-NXEZZACHSA-N 0 3 284.287 2.289 20 5 CEBDHN C[C@@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000342362425 216324800 /nfs/dbraw/zinc/32/48/00/216324800.db2.gz SZJDTFAGJCESNR-ZWNOBZJWSA-N 0 3 292.339 2.199 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061718 363794918 /nfs/dbraw/zinc/79/49/18/363794918.db2.gz KQMFSVCZSYHIHA-DGCLKSJQSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1c(CNCC2(C)COC2)cccc1[N+](=O)[O-] ZINC000094722128 364291137 /nfs/dbraw/zinc/29/11/37/364291137.db2.gz FAYFNBYUXPHJOB-UHFFFAOYSA-N 0 3 250.298 2.029 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(NCCN3CCCCC3)nc2c1 ZINC000094771829 364294053 /nfs/dbraw/zinc/29/40/53/364294053.db2.gz IUUGXCVEJDBZTE-UHFFFAOYSA-N 0 3 289.339 2.369 20 5 CEBDHN C[C@@H](N[C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094942060 364309771 /nfs/dbraw/zinc/30/97/71/364309771.db2.gz KPRNKAUPBLXSPJ-WDEREUQCSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1cccc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000103118368 364628083 /nfs/dbraw/zinc/62/80/83/364628083.db2.gz XVAYNVDEFXGQAQ-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN CCOc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000111045325 364725298 /nfs/dbraw/zinc/72/52/98/364725298.db2.gz GCNZJXLVZUYASJ-PHIMTYICSA-N 0 3 279.340 2.180 20 5 CEBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000113199062 364874437 /nfs/dbraw/zinc/87/44/37/364874437.db2.gz JILGCNARXCREJZ-LLVKDONJSA-N 0 3 295.339 2.182 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000119695174 365311934 /nfs/dbraw/zinc/31/19/34/365311934.db2.gz YHZSUXNNQGFBMC-LLVKDONJSA-N 0 3 291.351 2.316 20 5 CEBDHN C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1 ZINC000584520292 367167749 /nfs/dbraw/zinc/16/77/49/367167749.db2.gz NVWAGKJCTJUFRA-QWRGUYRKSA-N 0 3 286.335 2.330 20 5 CEBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000162912079 367203262 /nfs/dbraw/zinc/20/32/62/367203262.db2.gz UQMGGMNSXKIGOS-UWVGGRQHSA-N 0 3 291.307 2.251 20 5 CEBDHN C[C@@H](CO[C@@H]1CCOC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166367855 367320757 /nfs/dbraw/zinc/32/07/57/367320757.db2.gz MAAJAZWLRHNHRD-SLEUVZQESA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1c(NC(=O)N2CC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000171070772 367471077 /nfs/dbraw/zinc/47/10/77/367471077.db2.gz WZUZUQJUVKVYIV-LLVKDONJSA-N 0 3 292.339 2.071 20 5 CEBDHN Cc1cccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343424476 367806842 /nfs/dbraw/zinc/80/68/42/367806842.db2.gz DOYGAIRPAGCIBI-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccnc(N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343473769 367835944 /nfs/dbraw/zinc/83/59/44/367835944.db2.gz LDCZBHIAQWMQFO-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H](NCCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000173395723 367906279 /nfs/dbraw/zinc/90/62/79/367906279.db2.gz PIMMKIQTNOAQQC-LLVKDONJSA-N 0 3 284.381 2.361 20 5 CEBDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434439 367910920 /nfs/dbraw/zinc/91/09/20/367910920.db2.gz VWXAZTKPCFETHT-OUJBWJOFSA-N 0 3 284.381 2.358 20 5 CEBDHN CCSCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473036 367913861 /nfs/dbraw/zinc/91/38/61/367913861.db2.gz SGVOSUQNUQGFPZ-LLVKDONJSA-N 0 3 296.396 2.229 20 5 CEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000343555747 367881114 /nfs/dbraw/zinc/88/11/14/367881114.db2.gz FOJCEYMWIXGORM-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@@H](NCCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173380770 367903244 /nfs/dbraw/zinc/90/32/44/367903244.db2.gz AIEOGSGDWIDEKW-LLVKDONJSA-N 0 3 293.323 2.088 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000176230112 368214683 /nfs/dbraw/zinc/21/46/83/368214683.db2.gz CVZVHQGRJACXLR-GHMZBOCLSA-N 0 3 252.318 2.054 20 5 CEBDHN CC(C)(C)[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000345677577 368369787 /nfs/dbraw/zinc/36/97/87/368369787.db2.gz ZDYKNCLECBNDQY-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@@H]3CCCC[C@H]32)n1 ZINC000246117054 370910515 /nfs/dbraw/zinc/91/05/15/370910515.db2.gz KTTUIQQLDPOLFH-VXGBXAGGSA-N 0 3 296.396 2.151 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000348161418 368927320 /nfs/dbraw/zinc/92/73/20/368927320.db2.gz NDDXXCWYESRASM-BXUZGUMPSA-N 0 3 294.351 2.244 20 5 CEBDHN CCS[C@H]1CCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000348482413 369059468 /nfs/dbraw/zinc/05/94/68/369059468.db2.gz VZGPVMCKISZANP-ONGXEEELSA-N 0 3 284.385 2.092 20 5 CEBDHN CC(C)OCC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896435 369442518 /nfs/dbraw/zinc/44/25/18/369442518.db2.gz QWTCYUWHDREADM-WFASDCNBSA-N 0 3 296.367 2.421 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352667900 369826006 /nfs/dbraw/zinc/82/60/06/369826006.db2.gz OBNZUQGNNATGJI-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN CCC[C@H](N[C@@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223958901 370274818 /nfs/dbraw/zinc/27/48/18/370274818.db2.gz AYXHLXCULMLOOG-ZFWWWQNUSA-N 0 3 296.367 2.423 20 5 CEBDHN CC(C)(C)C[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227373570 370369531 /nfs/dbraw/zinc/36/95/31/370369531.db2.gz AFDIZGSUBRSWGY-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@@H](NC[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714856 370382073 /nfs/dbraw/zinc/38/20/73/370382073.db2.gz XTMPWJVJXBUPGX-ZIAGYGMSSA-N 0 3 282.340 2.297 20 5 CEBDHN CC(=O)c1cc(N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000228261063 370400677 /nfs/dbraw/zinc/40/06/77/370400677.db2.gz MYWFKRHNIXVKEL-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN CC(C)[C@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000230690267 370465020 /nfs/dbraw/zinc/46/50/20/370465020.db2.gz FEBWHIKZAQHTRJ-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN CCN(C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233453775 370519329 /nfs/dbraw/zinc/51/93/29/370519329.db2.gz XYUPGWGVVLVDSV-UHFFFAOYSA-N 0 3 292.261 2.372 20 5 CEBDHN C[C@H](N[C@@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398865 371049186 /nfs/dbraw/zinc/04/91/86/371049186.db2.gz JUGLYUPGAQABLU-GMXVVIOVSA-N 0 3 263.341 2.196 20 5 CEBDHN CO[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000251782597 371417415 /nfs/dbraw/zinc/41/74/15/371417415.db2.gz LLRPSOPMFQNOKM-IUODEOHRSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1c([C@H](C)NCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000268921126 372287948 /nfs/dbraw/zinc/28/79/48/372287948.db2.gz WTDOAGQFGSWITL-ONGXEEELSA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC([C@H]2CCOC2)C1 ZINC000366244895 373013734 /nfs/dbraw/zinc/01/37/34/373013734.db2.gz GPXBILKUTVIRCG-ZDUSSCGKSA-N 0 3 276.336 2.372 20 5 CEBDHN CC(C)[C@H](O)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000272080254 373295003 /nfs/dbraw/zinc/29/50/03/373295003.db2.gz QYXOMAPIJFXYKE-AWEZNQCLSA-N 0 3 278.352 2.482 20 5 CEBDHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272097114 373303473 /nfs/dbraw/zinc/30/34/73/373303473.db2.gz KSVHGRCITBEHDA-NSHDSACASA-N 0 3 279.340 2.112 20 5 CEBDHN C[C@H]1CN(C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353589011 220176015 /nfs/dbraw/zinc/17/60/15/220176015.db2.gz FKHWSDCZVNRQLT-VGVVRCBHSA-N 0 3 275.352 2.244 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@]3(CCOC3)C2)cs1 ZINC000371401425 373870086 /nfs/dbraw/zinc/87/00/86/373870086.db2.gz OUGQBLVLGHTPCZ-DGCLKSJQSA-N 0 3 298.364 2.084 20 5 CEBDHN CN(CCN(C)C1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000274443523 373925374 /nfs/dbraw/zinc/92/53/74/373925374.db2.gz HDVNETRFGAHAQT-UHFFFAOYSA-N 0 3 267.304 2.264 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000373985392 374462438 /nfs/dbraw/zinc/46/24/38/374462438.db2.gz XLTPTVSUTWEMBX-HIFRSBDPSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374389310 374561119 /nfs/dbraw/zinc/56/11/19/374561119.db2.gz FRKLGEQGELRKND-KGLIPLIRSA-N 0 3 276.336 2.453 20 5 CEBDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1[N+](=O)[O-] ZINC000378004468 374999186 /nfs/dbraw/zinc/99/91/86/374999186.db2.gz NKBNKBLVUSQATM-NNQSOWQGSA-N 0 3 276.336 2.473 20 5 CEBDHN C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000408464796 375488012 /nfs/dbraw/zinc/48/80/12/375488012.db2.gz FTUBZRASCVIVHY-NXEZZACHSA-N 0 3 282.319 2.048 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)[C@H]1C ZINC000414567172 375860955 /nfs/dbraw/zinc/86/09/55/375860955.db2.gz GJXLSBTXHBISSA-OCCSQVGLSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCCC2)c(F)c1 ZINC000289701641 376454137 /nfs/dbraw/zinc/45/41/37/376454137.db2.gz YATFMJLFSHYIKA-AWEZNQCLSA-N 0 3 282.315 2.375 20 5 CEBDHN C[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])N(C)C ZINC000310137524 376614372 /nfs/dbraw/zinc/61/43/72/376614372.db2.gz CCUPXRKLMWMIGX-ZETCQYMHSA-N 0 3 258.709 2.005 20 5 CEBDHN CC1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000562340125 376870539 /nfs/dbraw/zinc/87/05/39/376870539.db2.gz BBEJDBYCCMMJEZ-LLVKDONJSA-N 0 3 276.340 2.276 20 5 CEBDHN CCN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264891195 190142144 /nfs/dbraw/zinc/14/21/44/190142144.db2.gz JXDRBHLLQQEAPY-UHFFFAOYSA-N 0 3 291.307 2.023 20 5 CEBDHN C[C@H]1CCC[C@@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000292924923 377354819 /nfs/dbraw/zinc/35/48/19/377354819.db2.gz GNKIDEZUMJPVEC-SMDDNHRTSA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@@H](N[C@@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884855 377460787 /nfs/dbraw/zinc/46/07/87/377460787.db2.gz JOSUVDBDQMJZDI-DGCLKSJQSA-N 0 3 286.335 2.457 20 5 CEBDHN CCOCC(C)(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293289664 377507459 /nfs/dbraw/zinc/50/74/59/377507459.db2.gz OSXCOGPUVGGOCC-CYBMUJFWSA-N 0 3 282.340 2.033 20 5 CEBDHN CC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000313097404 249382426 /nfs/dbraw/zinc/38/24/26/249382426.db2.gz DUJBIKWSCGZEGZ-YPMHNXCESA-N 0 3 252.314 2.234 20 5 CEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCCC[C@H]1C ZINC000443515067 378058892 /nfs/dbraw/zinc/05/88/92/378058892.db2.gz JDUGIPDOIHKPJX-ZJUUUORDSA-N 0 3 284.385 2.148 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)[C@H]1CCCO1 ZINC000447903140 378157024 /nfs/dbraw/zinc/15/70/24/378157024.db2.gz GRWUVMZTXWYNKV-NILFDRSVSA-N 0 3 294.351 2.094 20 5 CEBDHN CCOc1cc(CN[C@@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733242 378282284 /nfs/dbraw/zinc/28/22/84/378282284.db2.gz MCMDHFOVLIPUJH-MNOVXSKESA-N 0 3 282.340 2.100 20 5 CEBDHN CC[C@@H](N[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000295987750 378382427 /nfs/dbraw/zinc/38/24/27/378382427.db2.gz PGOJRBYVJFWTHE-KGYLQXTDSA-N 0 3 250.298 2.159 20 5 CEBDHN Cc1cccc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450598439 378492691 /nfs/dbraw/zinc/49/26/91/378492691.db2.gz QNOPBLUPHYBAKO-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN CN1CC[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450795717 378583337 /nfs/dbraw/zinc/58/33/37/378583337.db2.gz RCMYSECLTNOYJX-RNCFNFMXSA-N 0 3 281.743 2.389 20 5 CEBDHN CC(C)OC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296767100 378642677 /nfs/dbraw/zinc/64/26/77/378642677.db2.gz RBPMLCRJRAEVJC-FZMZJTMJSA-N 0 3 282.340 2.031 20 5 CEBDHN CC[C@@H](CNc1ncccc1[N+](=O)[O-])N1CCCC1 ZINC000298483838 378740508 /nfs/dbraw/zinc/74/05/08/378740508.db2.gz VMTDLLZYCFXZMR-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CC=CC3)C2)c(Cl)c1 ZINC000266284583 190245825 /nfs/dbraw/zinc/24/58/25/190245825.db2.gz VEITXDCLTNCWCU-JTQLQIEISA-N 0 3 294.742 2.094 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CN(C)C ZINC000454138984 378942316 /nfs/dbraw/zinc/94/23/16/378942316.db2.gz DDBXJLAQPIIKRF-UHFFFAOYSA-N 0 3 294.355 2.365 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](O)C1 ZINC000347353725 218201392 /nfs/dbraw/zinc/20/13/92/218201392.db2.gz GUJJQKLOGHHHCJ-JQVXPOPVSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000187112132 183654137 /nfs/dbraw/zinc/65/41/37/183654137.db2.gz JDJHQJLWPFAEHG-MGPQQGTHSA-N 0 3 262.309 2.252 20 5 CEBDHN CC(C)COC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854246 190284832 /nfs/dbraw/zinc/28/48/32/190284832.db2.gz JKGXRZHQTGQQPD-QWHCGFSZSA-N 0 3 296.367 2.279 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@]1(N(C)C)CCSC1 ZINC000267066800 190301321 /nfs/dbraw/zinc/30/13/21/190301321.db2.gz HTFCXSBFFXIWCA-CYBMUJFWSA-N 0 3 296.396 2.147 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000267547146 190337237 /nfs/dbraw/zinc/33/72/37/190337237.db2.gz XADOASXHLCYAHJ-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN COCCN1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268024410 190370180 /nfs/dbraw/zinc/37/01/80/190370180.db2.gz IVQFMNNUPUKXJV-GFCCVEGCSA-N 0 3 279.340 2.036 20 5 CEBDHN Cc1cnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889124 190360674 /nfs/dbraw/zinc/36/06/74/190360674.db2.gz RBYPPILHWSFJAU-QWRGUYRKSA-N 0 3 276.340 2.335 20 5 CEBDHN CCN(CC)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268216134 190386690 /nfs/dbraw/zinc/38/66/90/190386690.db2.gz IYGLTNQGOIKFFF-UHFFFAOYSA-N 0 3 299.758 2.206 20 5 CEBDHN C[C@@H]1CCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223773 194340449 /nfs/dbraw/zinc/34/04/49/194340449.db2.gz IINWHBIAQHYKGF-BXUZGUMPSA-N 0 3 291.351 2.336 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H](C)CO ZINC000349274516 218836117 /nfs/dbraw/zinc/83/61/17/218836117.db2.gz GADPSYBCQKZTIL-YTRUQHMWSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(CC1(O)CCCC1)CC2 ZINC000408417129 285142027 /nfs/dbraw/zinc/14/20/27/285142027.db2.gz PYLUBXGDEJQRBS-UHFFFAOYSA-N 0 3 276.336 2.258 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000237516930 131037560 /nfs/dbraw/zinc/03/75/60/131037560.db2.gz RIEQKILXVVNLMA-WCQYABFASA-N 0 3 291.351 2.223 20 5 CEBDHN CCN1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413042505 394473143 /nfs/dbraw/zinc/47/31/43/394473143.db2.gz LXIMFOYBMMILHQ-UHFFFAOYSA-N 0 3 282.319 2.049 20 5 CEBDHN CN(C)[C@H](CNc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000357057388 394694382 /nfs/dbraw/zinc/69/43/82/394694382.db2.gz VMBXRLHXISZWNH-GFCCVEGCSA-N 0 3 292.364 2.188 20 5 CEBDHN CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000268899721 394702017 /nfs/dbraw/zinc/70/20/17/394702017.db2.gz QVTBDMXDSNYQNS-LBPRGKRZSA-N 0 3 299.758 2.205 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286090115 395011262 /nfs/dbraw/zinc/01/12/62/395011262.db2.gz KGBBNYIKTKUOMF-NSHDSACASA-N 0 3 278.356 2.463 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@]2(CCOC2)C1 ZINC000153732382 395016351 /nfs/dbraw/zinc/01/63/51/395016351.db2.gz YLZXDYJSRWDWAI-CQSZACIVSA-N 0 3 262.309 2.207 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2C2CC2)cn1 ZINC000433797367 395249326 /nfs/dbraw/zinc/24/93/26/395249326.db2.gz VYVIIRCXVRLSNY-CYBMUJFWSA-N 0 3 276.340 2.419 20 5 CEBDHN COCCOCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292181543 395187495 /nfs/dbraw/zinc/18/74/95/395187495.db2.gz QOOJMPDLNKVHLE-UHFFFAOYSA-N 0 3 282.340 2.083 20 5 CEBDHN CN1CC[C@@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292303987 395192123 /nfs/dbraw/zinc/19/21/23/395192123.db2.gz NUIZRONOQLAFPV-CQSZACIVSA-N 0 3 279.315 2.266 20 5 CEBDHN C[C@H](NCC1(CO)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184532081 395274403 /nfs/dbraw/zinc/27/44/03/395274403.db2.gz LPFSGCBSEHRLPS-NSHDSACASA-N 0 3 264.325 2.408 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCNC[C@](C)(F)C1 ZINC000420328045 395329596 /nfs/dbraw/zinc/32/95/96/395329596.db2.gz HALWOWMPBYTMAJ-RISCZKNCSA-N 0 3 281.331 2.289 20 5 CEBDHN COc1cc(CN2C[C@H](CO)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000420931315 395437646 /nfs/dbraw/zinc/43/76/46/395437646.db2.gz DBTVGZNOUZEYTA-WCQYABFASA-N 0 3 294.351 2.054 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258090 395600353 /nfs/dbraw/zinc/60/03/53/395600353.db2.gz AFBVNWHALSESAE-TZMCWYRMSA-N 0 3 294.351 2.196 20 5 CEBDHN C[C@H](Cc1cnn(C)c1)NCc1csc([N+](=O)[O-])c1 ZINC000449581608 395555905 /nfs/dbraw/zinc/55/59/05/395555905.db2.gz BBSCXTJOAALDIO-SECBINFHSA-N 0 3 280.353 2.111 20 5 CEBDHN CCN(C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574464322 395630601 /nfs/dbraw/zinc/63/06/01/395630601.db2.gz GEFNSARVGDXEBP-ZDUSSCGKSA-N 0 3 263.341 2.123 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596120263 395666564 /nfs/dbraw/zinc/66/65/64/395666564.db2.gz JCPIGCOTZDCSIT-GHMZBOCLSA-N 0 3 294.355 2.370 20 5 CEBDHN COc1cc(N[C@H](C)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000227859047 153351575 /nfs/dbraw/zinc/35/15/75/153351575.db2.gz QTWIWHFDSIIMIH-MRVPVSSYSA-N 0 3 271.292 2.105 20 5 CEBDHN C[C@H](O)CCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000228044407 153353989 /nfs/dbraw/zinc/35/39/89/153353989.db2.gz XXCPAJRPVHIWDV-QWRGUYRKSA-N 0 3 252.314 2.406 20 5 CEBDHN COc1ccc(CNC[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000230667167 153397540 /nfs/dbraw/zinc/39/75/40/153397540.db2.gz DNMPIYFUUWYAGX-AAEUAGOBSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H]1CC[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834120 156246124 /nfs/dbraw/zinc/24/61/24/156246124.db2.gz VWUKHQXLVBUNNS-TZMCWYRMSA-N 0 3 278.356 2.303 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]3CCC[C@@H]32)n1 ZINC000176266686 165159443 /nfs/dbraw/zinc/15/94/43/165159443.db2.gz SAWKLKBZNFBULX-NEPJUHHUSA-N 0 3 264.329 2.056 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccccc3)C2)n1 ZINC000176220594 165159728 /nfs/dbraw/zinc/15/97/28/165159728.db2.gz JXWUOPPRBTUQCQ-AWEZNQCLSA-N 0 3 286.335 2.281 20 5 CEBDHN C[C@H](N[C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949787 196163434 /nfs/dbraw/zinc/16/34/34/196163434.db2.gz FCVSKAJIJKUKFY-WPRPVWTQSA-N 0 3 267.354 2.333 20 5 CEBDHN C[C@H](NCCn1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000041119434 174485934 /nfs/dbraw/zinc/48/59/34/174485934.db2.gz UWVIUMPRQAGJPY-NSHDSACASA-N 0 3 260.297 2.142 20 5 CEBDHN CC[C@@H](CCO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077453544 177270545 /nfs/dbraw/zinc/27/05/45/177270545.db2.gz QVKYGVZMBJCMLT-NSHDSACASA-N 0 3 272.732 2.499 20 5 CEBDHN COCC[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000414479155 292621491 /nfs/dbraw/zinc/62/14/91/292621491.db2.gz ICTLPHZQOHLGOU-LLVKDONJSA-N 0 3 252.314 2.357 20 5 CEBDHN COC[C@@H](NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000086697966 260396539 /nfs/dbraw/zinc/39/65/39/260396539.db2.gz BMWSRHGHCCXNMP-GFCCVEGCSA-N 0 3 252.314 2.355 20 5 CEBDHN CN1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425290969 263039689 /nfs/dbraw/zinc/03/96/89/263039689.db2.gz YVECQAYERQCCQE-JOYOIKCWSA-N 0 3 296.758 2.174 20 5 CEBDHN C[C@H](NC[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323024 270334498 /nfs/dbraw/zinc/33/44/98/270334498.db2.gz LCYXZPUDLKTPLY-HZMBPMFUSA-N 0 3 264.325 2.406 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H]2CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000424318150 271044089 /nfs/dbraw/zinc/04/40/89/271044089.db2.gz PELMOVUAADGHRI-IRUJWGPZSA-N 0 3 250.298 2.077 20 5 CEBDHN CC(C)[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394130 276019108 /nfs/dbraw/zinc/01/91/08/276019108.db2.gz LPNQNTJOSJTDMV-GWCFXTLKSA-N 0 3 252.314 2.262 20 5 CEBDHN CCC(CC)[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000225820257 276213059 /nfs/dbraw/zinc/21/30/59/276213059.db2.gz MYVAOCRFCCNARL-CQSZACIVSA-N 0 3 266.341 2.482 20 5 CEBDHN COC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278881250 277263022 /nfs/dbraw/zinc/26/30/22/277263022.db2.gz SOEVOKJTNYNEIT-TUKIKUTGSA-N 0 3 294.351 2.439 20 5 CEBDHN C[C@@H](N[C@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805630 278379996 /nfs/dbraw/zinc/37/99/96/278379996.db2.gz JQIXTIVECOKMID-IAQYHMDHSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@H]1CC[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212295 279757223 /nfs/dbraw/zinc/75/72/23/279757223.db2.gz ZFQOLGAETSEYFL-STQMWFEESA-N 0 3 290.367 2.300 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977114 279790612 /nfs/dbraw/zinc/79/06/12/279790612.db2.gz GJPMJXOYMBGYAB-TUKIKUTGSA-N 0 3 294.351 2.439 20 5 CEBDHN C[C@@H](CCCO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000394967605 280671517 /nfs/dbraw/zinc/67/15/17/280671517.db2.gz ANAKLKUKBWQGPF-JTQLQIEISA-N 0 3 270.304 2.232 20 5 CEBDHN CCCN(C)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488078084 290377519 /nfs/dbraw/zinc/37/75/19/290377519.db2.gz HZUVINADYHINTJ-GFCCVEGCSA-N 0 3 293.367 2.422 20 5 CEBDHN CC1(C)[C@H](O)C[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269763 297644312 /nfs/dbraw/zinc/64/43/12/297644312.db2.gz DXVGFDIITWFZHA-IACUBPJLSA-N 0 3 276.336 2.331 20 5 CEBDHN COCC1(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000539523195 298249369 /nfs/dbraw/zinc/24/93/69/298249369.db2.gz ZMWQBYBZJMIHEW-XQRVVYSFSA-N 0 3 262.309 2.377 20 5 CEBDHN C[C@@]1(O)C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563419148 298775779 /nfs/dbraw/zinc/77/57/79/298775779.db2.gz STRQEHZWGYAEFE-IUPBHXKESA-N 0 3 262.309 2.085 20 5 CEBDHN Cc1ccnc(N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000294901042 302272419 /nfs/dbraw/zinc/27/24/19/302272419.db2.gz IESQBDKPXXDWMW-LLVKDONJSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)OCCO ZINC000548767836 313574817 /nfs/dbraw/zinc/57/48/17/313574817.db2.gz XDIRLUYERMQRKX-LBPRGKRZSA-N 0 3 296.367 2.341 20 5 CEBDHN CN1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000573216386 314146542 /nfs/dbraw/zinc/14/65/42/314146542.db2.gz WZTANBRUXMLUCJ-AWEZNQCLSA-N 0 3 294.330 2.051 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@]1(O)CCSC1 ZINC000580783374 322344471 /nfs/dbraw/zinc/34/44/71/322344471.db2.gz IIOOGLIHXZOAGA-OCCSQVGLSA-N 0 3 294.376 2.040 20 5 CEBDHN CC(C)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000580904142 322354258 /nfs/dbraw/zinc/35/42/58/322354258.db2.gz DEMRZOQTQFNEFB-UHFFFAOYSA-N 0 3 293.367 2.330 20 5 CEBDHN Cc1c(Cn2cc3c(n2)[C@@H](N)CCC3)cccc1[N+](=O)[O-] ZINC000581879038 322428750 /nfs/dbraw/zinc/42/87/50/322428750.db2.gz DDXOSBRQHDNOQY-ZDUSSCGKSA-N 0 3 286.335 2.484 20 5 CEBDHN CCO[C@@H]1C[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732893 335877151 /nfs/dbraw/zinc/87/71/51/335877151.db2.gz BAXJLGORLJTGIW-YRGRVCCFSA-N 0 3 262.309 2.349 20 5 CEBDHN CC(C)COC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151453870 519756747 /nfs/dbraw/zinc/75/67/47/519756747.db2.gz JFNNJBZMIKEGOW-WFASDCNBSA-N 0 3 296.367 2.279 20 5 CEBDHN CC[C@@H](NCC(C)(C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000183832404 522816535 /nfs/dbraw/zinc/81/65/35/522816535.db2.gz MZSGQYZBMGEEOT-CYBMUJFWSA-N 0 3 293.367 2.408 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CO)CC1 ZINC000183252805 525563619 /nfs/dbraw/zinc/56/36/19/525563619.db2.gz CPZRNNBVIFFUNY-UHFFFAOYSA-N 0 3 264.325 2.108 20 5 CEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000411082887 527080869 /nfs/dbraw/zinc/08/08/69/527080869.db2.gz BXOYNAUNMDLSSX-UHFFFAOYSA-N 0 3 291.351 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000048065701 527364524 /nfs/dbraw/zinc/36/45/24/527364524.db2.gz XMFXUDNTOREMLP-UHFFFAOYSA-N 0 3 294.311 2.401 20 5 CEBDHN C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000751925348 574474521 /nfs/dbraw/zinc/47/45/21/574474521.db2.gz DOOKBJSWDYIDQO-PHIMTYICSA-N 0 3 274.324 2.490 20 5 CEBDHN Cc1cc(C(=O)N[C@H](CN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000733165439 574646995 /nfs/dbraw/zinc/64/69/95/574646995.db2.gz JIHQCRKZQDOGGB-CYBMUJFWSA-N 0 3 293.367 2.219 20 5 CEBDHN Cc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749679079 575229057 /nfs/dbraw/zinc/22/90/57/575229057.db2.gz USOPCEUYZCGUBD-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1nn(CN2CC[C@@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941378 575301762 /nfs/dbraw/zinc/30/17/62/575301762.db2.gz NJFVEIRZDLTJSU-KOLCDFICSA-N 0 3 289.339 2.336 20 5 CEBDHN CC(COC(=O)c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813102169 623018118 /nfs/dbraw/zinc/01/81/18/623018118.db2.gz OPTHDLBCGNKLLA-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN COc1cccc(Cl)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112727 623060265 /nfs/dbraw/zinc/06/02/65/623060265.db2.gz KBXFLJQRCMKVAF-MRVPVSSYSA-N 0 3 287.699 2.100 20 5 CEBDHN Cc1cc(NCC[S@](C)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000167380295 625649360 /nfs/dbraw/zinc/64/93/60/625649360.db2.gz OSUZZKODDKLIHX-HXUWFJFHSA-N 0 3 293.348 2.242 20 5 CEBDHN COc1c(O)ccc(CN[C@@H](C)CSC)c1[N+](=O)[O-] ZINC000893005234 627939413 /nfs/dbraw/zinc/93/94/13/627939413.db2.gz RIKOFDODHFWWDB-QMMMGPOBSA-N 0 3 286.353 2.150 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000295252221 628045968 /nfs/dbraw/zinc/04/59/68/628045968.db2.gz QNODLUZVLRNISO-LBPRGKRZSA-N 0 3 268.288 2.391 20 5 CEBDHN C[C@H]([NH2+]C[C@H]1CCCCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000902481760 634699861 /nfs/dbraw/zinc/69/98/61/634699861.db2.gz GQESKRQSRDNFKG-NWDGAFQWSA-N 0 3 293.367 2.483 20 5 CEBDHN CN1C[C@H]2[C@@H](CCN2c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893941117 629055311 /nfs/dbraw/zinc/05/53/11/629055311.db2.gz QTLGBMLPDRNZNX-ZANVPECISA-N 0 3 281.743 2.389 20 5 CEBDHN CC(=O)OC[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896510389 630578893 /nfs/dbraw/zinc/57/88/93/630578893.db2.gz NEVCWRJADWJKSE-VHSXEESVSA-N 0 3 266.297 2.197 20 5 CEBDHN C[C@@H](CNc1ccncc1CO)c1ccccc1[N+](=O)[O-] ZINC000896794154 630671445 /nfs/dbraw/zinc/67/14/45/630671445.db2.gz RHTIKKNJBGJBGL-NSHDSACASA-N 0 3 287.319 2.120 20 5 CEBDHN CC1=CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797999138 630798655 /nfs/dbraw/zinc/79/86/55/630798655.db2.gz QQWHFWVUQDXNOR-AWEZNQCLSA-N 0 3 262.309 2.280 20 5 CEBDHN C[C@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000801526818 631283220 /nfs/dbraw/zinc/28/32/20/631283220.db2.gz XXSFVLOFCQMGAR-QWRGUYRKSA-N 0 3 281.331 2.258 20 5 CEBDHN C[C@H](CNCc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000897464066 631532152 /nfs/dbraw/zinc/53/21/52/631532152.db2.gz KBPYRRLUZGKJKC-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN C[C@@H](CNCc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000897468886 631534252 /nfs/dbraw/zinc/53/42/52/631534252.db2.gz AUPYGBLJQKPXEO-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H](NCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083451 632450689 /nfs/dbraw/zinc/45/06/89/632450689.db2.gz GWMHJXOHKRTACP-RISCZKNCSA-N 0 3 280.324 2.051 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1Cc2ccccc2[C@@H]1O ZINC000898394079 632479762 /nfs/dbraw/zinc/47/97/62/632479762.db2.gz ZATDOXZEUQBRII-HOCLYGCPSA-N 0 3 284.315 2.343 20 5 CEBDHN CC(COC(=O)[C@H]1SCCc2ccccc21)[N+](=O)[O-] ZINC000813099693 632619895 /nfs/dbraw/zinc/61/98/95/632619895.db2.gz ANHGGSZKNAFIHB-SKDRFNHKSA-N 0 3 281.333 2.225 20 5 CEBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(OC)cc1 ZINC000813099903 632621011 /nfs/dbraw/zinc/62/10/11/632621011.db2.gz GXPZBVRTHNTOGZ-GWCFXTLKSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@]12CCc1ccccc12)[N+](=O)[O-] ZINC000813101774 632621122 /nfs/dbraw/zinc/62/11/22/632621122.db2.gz IMNPNAFZCQETEA-WDBKCZKBSA-N 0 3 275.304 2.099 20 5 CEBDHN CC(COC(=O)c1ccccc1OCC1CC1)[N+](=O)[O-] ZINC000813101470 632621171 /nfs/dbraw/zinc/62/11/71/632621171.db2.gz BBMQSCRWVMMDFL-JTQLQIEISA-N 0 3 279.292 2.297 20 5 CEBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813102439 632622050 /nfs/dbraw/zinc/62/20/50/632622050.db2.gz FDCOQKZHWVEQRL-SECBINFHSA-N 0 3 271.700 2.399 20 5 CEBDHN Cc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102977 632622098 /nfs/dbraw/zinc/62/20/98/632622098.db2.gz WYRTVUGYWTWBSG-QMMMGPOBSA-N 0 3 285.321 2.228 20 5 CEBDHN CCc1sc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813104851 632622320 /nfs/dbraw/zinc/62/23/20/632622320.db2.gz SJGMVWRAJGZTAP-QMMMGPOBSA-N 0 3 257.311 2.441 20 5 CEBDHN CC(COC(=O)c1cccc([C@@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813104093 632622516 /nfs/dbraw/zinc/62/25/16/632622516.db2.gz JVADDGOKYUDPTH-GXFFZTMASA-N 0 3 279.292 2.013 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnc2ccccc12 ZINC000813106137 632623317 /nfs/dbraw/zinc/62/33/17/632623317.db2.gz ZELRBEDORMHFQY-SECBINFHSA-N 0 3 274.276 2.365 20 5 CEBDHN CCc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107776 632624725 /nfs/dbraw/zinc/62/47/25/632624725.db2.gz WCVIINYZLURIQT-LLVKDONJSA-N 0 3 293.319 2.420 20 5 CEBDHN CC[C@H](OC1CCCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107627 632624780 /nfs/dbraw/zinc/62/47/80/632624780.db2.gz PKQVBVCUHGEXLT-JQWIXIFHSA-N 0 3 273.329 2.323 20 5 CEBDHN CCOc1c(F)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106657 632624907 /nfs/dbraw/zinc/62/49/07/632624907.db2.gz FPTUMMXDJHDQJH-MRVPVSSYSA-N 0 3 271.244 2.046 20 5 CEBDHN CC[C@@H](OC1CCCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107629 632625010 /nfs/dbraw/zinc/62/50/10/632625010.db2.gz PKQVBVCUHGEXLT-ZYHUDNBSSA-N 0 3 273.329 2.323 20 5 CEBDHN Cc1onc(-c2ccccc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108787 632625428 /nfs/dbraw/zinc/62/54/28/632625428.db2.gz AMXFEWRMMLACTC-VIFPVBQESA-N 0 3 290.275 2.472 20 5 CEBDHN Cc1cc(C)cc(OCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108197 632625757 /nfs/dbraw/zinc/62/57/57/632625757.db2.gz VHCQTLAJGMJAIP-GFCCVEGCSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(C)c1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110034 632626770 /nfs/dbraw/zinc/62/67/70/632626770.db2.gz YZWJDQOXGMITSC-NSHDSACASA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)Cc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813111538 632627480 /nfs/dbraw/zinc/62/74/80/632627480.db2.gz UJIPIBZRXQEXTB-QMMMGPOBSA-N 0 3 257.673 2.091 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813112172 632627536 /nfs/dbraw/zinc/62/75/36/632627536.db2.gz DASYIPQRIOVSMB-BDAKNGLRSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)c1sccc1C1CC1)[N+](=O)[O-] ZINC000813114872 632629348 /nfs/dbraw/zinc/62/93/48/632629348.db2.gz IGMJQZJNJUTBHL-ZETCQYMHSA-N 0 3 255.295 2.448 20 5 CEBDHN CNC(C)(C)c1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398677 634091249 /nfs/dbraw/zinc/09/12/49/634091249.db2.gz FXIHFOQBTWOZKW-UHFFFAOYSA-N 0 3 251.242 2.297 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2C[C@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153894 634991518 /nfs/dbraw/zinc/99/15/18/634991518.db2.gz PJKVJZFDKNJRHX-HERUPUMHSA-N 0 3 294.351 2.413 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H](O)C1 ZINC000876527676 650304475 /nfs/dbraw/zinc/30/44/75/650304475.db2.gz KBZNUFRKNXBTBY-GFCCVEGCSA-N 0 3 264.325 2.168 20 5 CEBDHN CC(COC(=O)c1cc2ccncc2s1)[N+](=O)[O-] ZINC000835456208 638263940 /nfs/dbraw/zinc/26/39/40/638263940.db2.gz TWFJOFAHRXRACG-SSDOTTSWSA-N 0 3 266.278 2.118 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000223240747 639416539 /nfs/dbraw/zinc/41/65/39/639416539.db2.gz UEDPWLUIWXRQTH-UHFFFAOYSA-N 0 3 270.304 2.373 20 5 CEBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000252785767 642232243 /nfs/dbraw/zinc/23/22/43/642232243.db2.gz PHYOCBIFPMDYCO-BSLXNSKLSA-N 0 3 294.351 2.438 20 5 CEBDHN COC(=O)N(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000850551520 642750355 /nfs/dbraw/zinc/75/03/55/642750355.db2.gz WJXLPDVBRFCXIX-LLVKDONJSA-N 0 3 295.339 2.252 20 5 CEBDHN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494435 643314724 /nfs/dbraw/zinc/31/47/24/643314724.db2.gz DKHRMCPAQXRAPI-ABAIWWIYSA-N 0 3 287.319 2.374 20 5 CEBDHN COC(=O)C1=CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000877651889 650834905 /nfs/dbraw/zinc/83/49/05/650834905.db2.gz NBCQGNAENJRLJL-CYBMUJFWSA-N 0 3 290.319 2.255 20 5 CEBDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000763023893 645491015 /nfs/dbraw/zinc/49/10/15/645491015.db2.gz HEFTXZZFKDEEFB-NSHDSACASA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1ccccc1CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777732 645902704 /nfs/dbraw/zinc/90/27/04/645902704.db2.gz ULQPZGOXZFVIGI-VXGBXAGGSA-N 0 3 281.308 2.109 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)C1CC1 ZINC000771822262 646555708 /nfs/dbraw/zinc/55/57/08/646555708.db2.gz WQFZOMWBYUUNMA-LLVKDONJSA-N 0 3 270.716 2.109 20 5 CEBDHN CCC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873078865 649554107 /nfs/dbraw/zinc/55/41/07/649554107.db2.gz SEZOTHMBOUXESA-CYBMUJFWSA-N 0 3 291.351 2.004 20 5 CEBDHN Cc1ccc(Cl)cc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000873532556 649695900 /nfs/dbraw/zinc/69/59/00/649695900.db2.gz JURSHWFJYKHOJK-VIFPVBQESA-N 0 3 287.699 2.236 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000882072475 651952238 /nfs/dbraw/zinc/95/22/38/651952238.db2.gz FIBHGXBSPWTOAM-DTWKUNHWSA-N 0 3 280.303 2.166 20 5 CEBDHN CCN1CC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000882959432 652290277 /nfs/dbraw/zinc/29/02/77/652290277.db2.gz FTKZVJMMBJWNAP-SNVBAGLBSA-N 0 3 287.323 2.044 20 5 CEBDHN CCN1CC[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000882959431 652290519 /nfs/dbraw/zinc/29/05/19/652290519.db2.gz FTKZVJMMBJWNAP-JTQLQIEISA-N 0 3 287.323 2.044 20 5 CEBDHN CC(C)(O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000721877943 806465367 /nfs/dbraw/zinc/46/53/67/806465367.db2.gz HTQIBWFUJSIVLQ-LBPRGKRZSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702054260 809490950 /nfs/dbraw/zinc/49/09/50/809490950.db2.gz SOWBMFCAAWODON-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975651 811322641 /nfs/dbraw/zinc/32/26/41/811322641.db2.gz WQKTWDHBBZCCQS-KOLCDFICSA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC001168997042 811324658 /nfs/dbraw/zinc/32/46/58/811324658.db2.gz XDUPYMAMBFJQCB-HTQZYQBOSA-N 0 3 275.761 2.332 20 5 CEBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999400 811327476 /nfs/dbraw/zinc/32/74/76/811327476.db2.gz SQRKWLVUWYOARG-MFKMUULPSA-N 0 3 280.299 2.043 20 5 CEBDHN O=C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCC[C@@H]12 ZINC001169007587 811332179 /nfs/dbraw/zinc/33/21/79/811332179.db2.gz OIBNIIQAQUOFNJ-REWJHTLYSA-N 0 3 280.368 2.265 20 5 CEBDHN C[C@H](N)c1ccn(-c2ncc(C(C)(C)C)cc2[N+](=O)[O-])n1 ZINC001169227657 811440350 /nfs/dbraw/zinc/44/03/50/811440350.db2.gz DNGLSTDXKQTWPY-VIFPVBQESA-N 0 3 289.339 2.493 20 5 CEBDHN CN1CCC[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001157266730 812063994 /nfs/dbraw/zinc/06/39/94/812063994.db2.gz WJPSCQFUQACBRC-GXSJLCMTSA-N 0 3 296.758 2.174 20 5 CEBDHN COc1ccc(C[C@@H](C)n2ccc(CN)n2)c([N+](=O)[O-])c1 ZINC001170295648 812375792 /nfs/dbraw/zinc/37/57/92/812375792.db2.gz DBNHNAWFCLLHES-SNVBAGLBSA-N 0 3 290.323 2.062 20 5 CEBDHN COc1ccc(C[C@H](C)n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001170298375 812377310 /nfs/dbraw/zinc/37/73/10/812377310.db2.gz KLFDKFDLXCUZFX-JTQLQIEISA-N 0 3 290.323 2.062 20 5 CEBDHN C/C(=C\C(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752499840 812463532 /nfs/dbraw/zinc/46/35/32/812463532.db2.gz LJSOCPBXCJQRKP-VAWYXSNFSA-N 0 3 291.351 2.018 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cccnn1 ZINC001173215630 815623142 /nfs/dbraw/zinc/62/31/42/815623142.db2.gz XMINDVFSLNKXPW-NSHDSACASA-N 0 3 272.308 2.106 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc2c1CNCC2 ZINC001173220787 815625941 /nfs/dbraw/zinc/62/59/41/815625941.db2.gz CKYWDBZNOKHJMR-NSHDSACASA-N 0 3 286.335 2.241 20 5 CEBDHN COCC1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173223534 815628224 /nfs/dbraw/zinc/62/82/24/815628224.db2.gz ASNSRWCQWXSDTN-NSHDSACASA-N 0 3 264.325 2.104 20 5 CEBDHN COC[C@H]1CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232499 815632040 /nfs/dbraw/zinc/63/20/40/815632040.db2.gz BUXFNGDLZUDCTL-BXUZGUMPSA-N 0 3 264.325 2.247 20 5 CEBDHN COc1ccc(CNC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042821298 362122360 /nfs/dbraw/zinc/12/23/60/362122360.db2.gz MRSOFXZDFZIGDX-LBPRGKRZSA-N 0 3 280.324 2.262 20 5 CEBDHN CCOCCN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000046036873 362173836 /nfs/dbraw/zinc/17/38/36/362173836.db2.gz VHVQNITYGLJZOQ-UHFFFAOYSA-N 0 3 252.314 2.453 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000047873395 362228709 /nfs/dbraw/zinc/22/87/09/362228709.db2.gz XSZAPOPBFPBSNZ-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CC(C)CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000049969322 343540010 /nfs/dbraw/zinc/54/00/10/343540010.db2.gz NKQNJIWAIDIAJE-UHFFFAOYSA-N 0 3 277.368 2.368 20 5 CEBDHN O=[N+]([O-])c1cc(CN2CCN(CC3CC3)CC2)cs1 ZINC000054255597 343586803 /nfs/dbraw/zinc/58/68/03/343586803.db2.gz WREQZEVYHJHXID-UHFFFAOYSA-N 0 3 281.381 2.184 20 5 CEBDHN C[C@H](N(C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295054649 199322382 /nfs/dbraw/zinc/32/23/82/199322382.db2.gz BIDMARPMTSLSHK-JTQLQIEISA-N 0 3 252.314 2.186 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000059891834 343654777 /nfs/dbraw/zinc/65/47/77/343654777.db2.gz UIWQQANDCHAZMO-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])nc1 ZINC000076776112 343897994 /nfs/dbraw/zinc/89/79/94/343897994.db2.gz GQLJBWGFKXLGIM-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cn1 ZINC000077656662 343928561 /nfs/dbraw/zinc/92/85/61/343928561.db2.gz CDCDNVDNQHRYDN-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1O ZINC000127141925 187285493 /nfs/dbraw/zinc/28/54/93/187285493.db2.gz PZLDMEGLQJHHOJ-KBPBESRZSA-N 0 3 264.325 2.330 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1NCCN(C)C1CC1 ZINC000091459859 344164483 /nfs/dbraw/zinc/16/44/83/344164483.db2.gz VUDITFFSWOARDR-UHFFFAOYSA-N 0 3 279.340 2.247 20 5 CEBDHN CC(C)CC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602443918 347035697 /nfs/dbraw/zinc/03/56/97/347035697.db2.gz BDCHMKQSUHTZMH-CQSZACIVSA-N 0 3 293.367 2.017 20 5 CEBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000129670479 344346191 /nfs/dbraw/zinc/34/61/91/344346191.db2.gz AOROVKBPSZADIT-BIMULSAOSA-N 0 3 264.325 2.405 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)c1 ZINC000133773676 344370671 /nfs/dbraw/zinc/37/06/71/344370671.db2.gz QQSAJZNXDOEJJJ-NSHDSACASA-N 0 3 279.340 2.357 20 5 CEBDHN CC[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602472715 347047925 /nfs/dbraw/zinc/04/79/25/347047925.db2.gz JSNXBBPFDATOPL-LLVKDONJSA-N 0 3 266.345 2.340 20 5 CEBDHN Cc1nc(N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227331353 344552291 /nfs/dbraw/zinc/55/22/91/344552291.db2.gz JKZZDQAHGAOBAI-ONGXEEELSA-N 0 3 264.329 2.193 20 5 CEBDHN CCN[C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602499711 347058792 /nfs/dbraw/zinc/05/87/92/347058792.db2.gz KPRRSBOFNXURJE-LLVKDONJSA-N 0 3 291.351 2.084 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C1CCC1 ZINC000449741508 282348749 /nfs/dbraw/zinc/34/87/49/282348749.db2.gz VEDWBCJOMXYUHU-CQSZACIVSA-N 0 3 294.351 2.244 20 5 CEBDHN CCN[C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602517177 347064167 /nfs/dbraw/zinc/06/41/67/347064167.db2.gz XAPDAGTWAADIQT-NSHDSACASA-N 0 3 291.351 2.084 20 5 CEBDHN CCC[C@@H](NC1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000314484975 344746027 /nfs/dbraw/zinc/74/60/27/344746027.db2.gz ICGTUQCTLMITEQ-OAHLLOKOSA-N 0 3 294.351 2.441 20 5 CEBDHN CCOc1ccc([C@@H](C)NCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000305741365 344710918 /nfs/dbraw/zinc/71/09/18/344710918.db2.gz ZRBOVFTXKRTQGI-LLVKDONJSA-N 0 3 294.351 2.417 20 5 CEBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602573226 347083551 /nfs/dbraw/zinc/08/35/51/347083551.db2.gz ZGBLJITXTUIODD-NWDGAFQWSA-N 0 3 296.371 2.012 20 5 CEBDHN Cc1c(CN2CCC(CCO)CC2)cccc1[N+](=O)[O-] ZINC000401089919 344866471 /nfs/dbraw/zinc/86/64/71/344866471.db2.gz UENBWDWPYUZJSE-UHFFFAOYSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCN(C2CC2)C1 ZINC000401190263 344867113 /nfs/dbraw/zinc/86/71/13/344867113.db2.gz QTVITQBFGNDQFK-SECBINFHSA-N 0 3 280.303 2.025 20 5 CEBDHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301022 344872235 /nfs/dbraw/zinc/87/22/35/344872235.db2.gz JPKQSESOGLSPPT-FOGDFJRCSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1ccc([C@@H](C)NCC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220524 344878572 /nfs/dbraw/zinc/87/85/72/344878572.db2.gz XFERUQJARBZQTD-DOMZBBRYSA-N 0 3 294.351 2.095 20 5 CEBDHN C[C@@H](CO)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000593080795 345434495 /nfs/dbraw/zinc/43/44/95/345434495.db2.gz ACRAEBYCQUHSLB-LBPRGKRZSA-N 0 3 278.352 2.435 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCC1(CO)CCC1 ZINC000593692482 345521655 /nfs/dbraw/zinc/52/16/55/345521655.db2.gz ALXWCCWPERGGRR-UHFFFAOYSA-N 0 3 264.325 2.237 20 5 CEBDHN O=[N+]([O-])c1cccc(CCN[C@H]2CCCn3ccnc32)c1 ZINC000594502398 345638861 /nfs/dbraw/zinc/63/88/61/345638861.db2.gz NQHNPANTEUFOFC-AWEZNQCLSA-N 0 3 286.335 2.459 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(CCC3CCC3)CC2)cn1 ZINC000595288588 345754638 /nfs/dbraw/zinc/75/46/38/345754638.db2.gz PDRICPSLXBVIHL-UHFFFAOYSA-N 0 3 290.367 2.302 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C1CCC1 ZINC000594957813 345716536 /nfs/dbraw/zinc/71/65/36/345716536.db2.gz UZGWZXYQIFVULS-AWEZNQCLSA-N 0 3 264.325 2.154 20 5 CEBDHN Cc1ccc(CNC[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594981876 345721456 /nfs/dbraw/zinc/72/14/56/345721456.db2.gz BLLZWDUAGGVJNA-CQSZACIVSA-N 0 3 278.352 2.401 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)CC1CC1 ZINC000594983953 345721574 /nfs/dbraw/zinc/72/15/74/345721574.db2.gz RXDMMZDRFFVZMF-LBPRGKRZSA-N 0 3 264.325 2.093 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)C(C)C ZINC000595008777 345725445 /nfs/dbraw/zinc/72/54/45/345725445.db2.gz QQCPZDMYTQXRGP-MFKMUULPSA-N 0 3 282.340 2.271 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595826865 345887641 /nfs/dbraw/zinc/88/76/41/345887641.db2.gz KKLVPCODTBTBFO-STQMWFEESA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000595748860 345865471 /nfs/dbraw/zinc/86/54/71/345865471.db2.gz ITEUSKMFHSYEKY-GHMZBOCLSA-N 0 3 264.325 2.044 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595749942 345865548 /nfs/dbraw/zinc/86/55/48/345865548.db2.gz ITBIZWXGNNKYIE-OAHLLOKOSA-N 0 3 276.336 2.332 20 5 CEBDHN COc1cc(CN2C[C@H]3COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757999 345869522 /nfs/dbraw/zinc/86/95/22/345869522.db2.gz LSHBRTNVSHLSGF-WFASDCNBSA-N 0 3 292.335 2.072 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000595904927 345910631 /nfs/dbraw/zinc/91/06/31/345910631.db2.gz GHKQNUJQLOHCHY-LERXQTSPSA-N 0 3 281.331 2.335 20 5 CEBDHN CN(CC1CN(C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596453339 346027634 /nfs/dbraw/zinc/02/76/34/346027634.db2.gz JONYVMFGUUWYER-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644996 346391275 /nfs/dbraw/zinc/39/12/75/346391275.db2.gz CMHPRKPJTKUYPF-YPMHNXCESA-N 0 3 264.325 2.045 20 5 CEBDHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644993 346391284 /nfs/dbraw/zinc/39/12/84/346391284.db2.gz CMHPRKPJTKUYPF-AAEUAGOBSA-N 0 3 264.325 2.045 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@H](OC)C1 ZINC000599091863 346459226 /nfs/dbraw/zinc/45/92/26/346459226.db2.gz HDQDFJXAQTXCPJ-CKYFFXLPSA-N 0 3 280.324 2.431 20 5 CEBDHN C[C@@H](NCCOC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000599355155 346505534 /nfs/dbraw/zinc/50/55/34/346505534.db2.gz VHPUXBFPIVPJTR-GFCCVEGCSA-N 0 3 294.351 2.441 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601040634 346738149 /nfs/dbraw/zinc/73/81/49/346738149.db2.gz YHEQKJTZPHGXFB-UHFFFAOYSA-N 0 3 297.330 2.148 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)c2ccncc21 ZINC000601194246 346783355 /nfs/dbraw/zinc/78/33/55/346783355.db2.gz WFQSDAAVIXQIBF-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN COCC[C@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602693348 347151598 /nfs/dbraw/zinc/15/15/98/347151598.db2.gz FQHSXFVXJZPNRG-JTQLQIEISA-N 0 3 293.323 2.498 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@@H](C)CCC[C@@H]1C ZINC000602775311 347193187 /nfs/dbraw/zinc/19/31/87/347193187.db2.gz HHHGAGRVVKXFEF-QWRGUYRKSA-N 0 3 266.345 2.363 20 5 CEBDHN C[C@@H]1CCC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602809316 347208495 /nfs/dbraw/zinc/20/84/95/347208495.db2.gz ATCIQBCTDUTDSN-JFGNBEQYSA-N 0 3 266.345 2.243 20 5 CEBDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814698 347211018 /nfs/dbraw/zinc/21/10/18/347211018.db2.gz NCQXTDZLRVZOQG-PWSUYJOCSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1ccc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603418220 347364987 /nfs/dbraw/zinc/36/49/87/347364987.db2.gz DNTBGTNTERNERJ-SNVBAGLBSA-N 0 3 267.354 2.020 20 5 CEBDHN CC1(C)C[C@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000604532828 347420019 /nfs/dbraw/zinc/42/00/19/347420019.db2.gz NYFKCJDYHPDKFR-CYBMUJFWSA-N 0 3 278.308 2.254 20 5 CEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833614 347652354 /nfs/dbraw/zinc/65/23/54/347652354.db2.gz OYFQFYBTBXNUAV-ZDUSSCGKSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@@H](NCCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538829 347690496 /nfs/dbraw/zinc/69/04/96/347690496.db2.gz GUOZHSFWUYTPHZ-CHWSQXEVSA-N 0 3 294.351 2.299 20 5 CEBDHN C[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])CN1C1CC1 ZINC000610656619 347698711 /nfs/dbraw/zinc/69/87/11/347698711.db2.gz WYBFJHHMGKYILO-UWVGGRQHSA-N 0 3 262.313 2.027 20 5 CEBDHN C[C@@H](NC[C@@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992914 365914355 /nfs/dbraw/zinc/91/43/55/365914355.db2.gz JPLRSEKQMRRJSB-IAQYHMDHSA-N 0 3 294.351 2.033 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCCO)C1CC1 ZINC000611271585 347761094 /nfs/dbraw/zinc/76/10/94/347761094.db2.gz FYOLSWMWHSXDFY-ZZXKWVIFSA-N 0 3 276.336 2.455 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCCN(C)C2)n1 ZINC000611616545 347799379 /nfs/dbraw/zinc/79/93/79/347799379.db2.gz ZEMKJFIWDZGZBX-ZDUSSCGKSA-N 0 3 292.383 2.385 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@]1(C)CCOC1 ZINC000273356375 192124855 /nfs/dbraw/zinc/12/48/55/192124855.db2.gz CDLXTLONCWILDI-CYBMUJFWSA-N 0 3 250.298 2.172 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000090502112 179993985 /nfs/dbraw/zinc/99/39/85/179993985.db2.gz LQXXYLHXLYLUKJ-UHFFFAOYSA-N 0 3 250.298 2.206 20 5 CEBDHN C[C@H]1CC(C)(C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412033177 233318536 /nfs/dbraw/zinc/31/85/36/233318536.db2.gz CPASINGBFJEWHJ-JTQLQIEISA-N 0 3 291.351 2.314 20 5 CEBDHN CC(C)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000092392610 180376217 /nfs/dbraw/zinc/37/62/17/180376217.db2.gz YBLKFIFQHDZSPX-LBPRGKRZSA-N 0 3 272.732 2.355 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107687966 186187011 /nfs/dbraw/zinc/18/70/11/186187011.db2.gz BWVOHTMRHFRJBQ-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN O=C(CCNCc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000069715822 362994401 /nfs/dbraw/zinc/99/44/01/362994401.db2.gz WYIAMPBZQOJYSV-UHFFFAOYSA-N 0 3 291.351 2.087 20 5 CEBDHN Cc1ccnc(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000070496193 363091170 /nfs/dbraw/zinc/09/11/70/363091170.db2.gz BKJDWBPTERZWNS-NSHDSACASA-N 0 3 264.329 2.052 20 5 CEBDHN CC(=O)c1cc(NC[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000291921903 198106556 /nfs/dbraw/zinc/10/65/56/198106556.db2.gz RPFNUHPJSUOZAM-SNVBAGLBSA-N 0 3 279.340 2.407 20 5 CEBDHN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291984814 198125764 /nfs/dbraw/zinc/12/57/64/198125764.db2.gz WMGJZQYKEBUVTI-CQSZACIVSA-N 0 3 294.351 2.473 20 5 CEBDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000152548913 188028168 /nfs/dbraw/zinc/02/81/68/188028168.db2.gz VNAYQBQHMPCFIQ-YPMHNXCESA-N 0 3 264.325 2.330 20 5 CEBDHN CSC[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154471562 188144216 /nfs/dbraw/zinc/14/42/16/188144216.db2.gz FVCBKULEOPKSEV-KBPBESRZSA-N 0 3 296.392 2.456 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC1(CO)Cc2ccccc2C1 ZINC000074326091 363325348 /nfs/dbraw/zinc/32/53/48/363325348.db2.gz DYYPMUPDHKTATH-UHFFFAOYSA-N 0 3 298.342 2.214 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451539153 283025334 /nfs/dbraw/zinc/02/53/34/283025334.db2.gz FCOOGIDWSVOCNF-JSGCOSHPSA-N 0 3 294.351 2.330 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCCO)C2)cc1 ZINC000451548028 283030540 /nfs/dbraw/zinc/03/05/40/283030540.db2.gz MALMZGHCHNGSQX-CYBMUJFWSA-N 0 3 264.325 2.157 20 5 CEBDHN Cc1cccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000452095852 283185505 /nfs/dbraw/zinc/18/55/05/283185505.db2.gz WNHJZWYYEIFOQC-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@H](O)CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075781033 363489926 /nfs/dbraw/zinc/48/99/26/363489926.db2.gz VHJWBFMZWPBBIA-QWRGUYRKSA-N 0 3 252.314 2.359 20 5 CEBDHN C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000076117542 363523886 /nfs/dbraw/zinc/52/38/86/363523886.db2.gz HKINGBBAQVZGBT-NSHDSACASA-N 0 3 250.298 2.458 20 5 CEBDHN COc1cccc(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000134928292 366376125 /nfs/dbraw/zinc/37/61/25/366376125.db2.gz DZFZVQPTMAAKPZ-QWRGUYRKSA-N 0 3 279.340 2.498 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000139805301 366558429 /nfs/dbraw/zinc/55/84/29/366558429.db2.gz RUAVCPAAVYCUOM-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000453175153 283493334 /nfs/dbraw/zinc/49/33/34/283493334.db2.gz LOMLZWQGQHIYRC-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000177025784 189022084 /nfs/dbraw/zinc/02/20/84/189022084.db2.gz BYCOVCZXSVSKQA-GFCCVEGCSA-N 0 3 291.351 2.151 20 5 CEBDHN CC(C)OC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414363 189254010 /nfs/dbraw/zinc/25/40/10/189254010.db2.gz MVKFXZOLEDGEBX-FZMZJTMJSA-N 0 3 282.340 2.031 20 5 CEBDHN CSCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000152522571 366701624 /nfs/dbraw/zinc/70/16/24/366701624.db2.gz NTLJJYHNLWVBIV-UHFFFAOYSA-N 0 3 270.354 2.268 20 5 CEBDHN CCN(CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183294530 189354098 /nfs/dbraw/zinc/35/40/98/189354098.db2.gz OFCMSDIDGRGWHK-UHFFFAOYSA-N 0 3 280.324 2.288 20 5 CEBDHN CCCN(C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342479022 216365888 /nfs/dbraw/zinc/36/58/88/216365888.db2.gz BDYGJPNIKBWHQL-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN CCN1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000089709889 363995081 /nfs/dbraw/zinc/99/50/81/363995081.db2.gz GJINWOVSXIPRBG-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000090514659 364060299 /nfs/dbraw/zinc/06/02/99/364060299.db2.gz YUKUKGCSOGWEBT-ZHYXMNDGSA-N 0 3 284.381 2.403 20 5 CEBDHN Cc1ccnc(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795125 364063489 /nfs/dbraw/zinc/06/34/89/364063489.db2.gz PHJOOSZOQRTXQO-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN CCN1CCC[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771759 364294559 /nfs/dbraw/zinc/29/45/59/364294559.db2.gz MJUGOWTXVHXICW-JTQLQIEISA-N 0 3 289.339 2.367 20 5 CEBDHN C[C@H](CCCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000094941634 364309804 /nfs/dbraw/zinc/30/98/04/364309804.db2.gz XPQLOPHXLQZHLD-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C ZINC000572082390 299344155 /nfs/dbraw/zinc/34/41/55/299344155.db2.gz NJHMTEXQCANHDN-QWRGUYRKSA-N 0 3 290.367 2.457 20 5 CEBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275585991 193079940 /nfs/dbraw/zinc/07/99/40/193079940.db2.gz FNOHNECLEZYURZ-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN Cn1ncc(Cl)c1CNCCc1cccc([N+](=O)[O-])c1 ZINC000275632771 193091595 /nfs/dbraw/zinc/09/15/95/193091595.db2.gz UEAGZZNYGQWVAK-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CC[C@H](NC[C@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413640 366875665 /nfs/dbraw/zinc/87/56/65/366875665.db2.gz QQBAGCNSKJZDHD-KFWWJZLASA-N 0 3 294.351 2.175 20 5 CEBDHN Cc1ccc([C@H](C)NCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000162593007 367172005 /nfs/dbraw/zinc/17/20/05/367172005.db2.gz VDDTYIOOABCZKH-LBPRGKRZSA-N 0 3 294.351 2.095 20 5 CEBDHN Cc1ccc(CNCCOC(C)C)cc1[N+](=O)[O-] ZINC000168956452 367363015 /nfs/dbraw/zinc/36/30/15/367363015.db2.gz VEWFKANNRNFMSH-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000343627399 367925909 /nfs/dbraw/zinc/92/59/09/367925909.db2.gz JJRZVFZXFVJHFM-UHFFFAOYSA-N 0 3 298.346 2.310 20 5 CEBDHN CCN(CCN1CCCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000343791475 368005610 /nfs/dbraw/zinc/00/56/10/368005610.db2.gz MJIHWNNAYVDJJY-UHFFFAOYSA-N 0 3 293.371 2.087 20 5 CEBDHN CCCN(C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345788978 368421911 /nfs/dbraw/zinc/42/19/11/368421911.db2.gz WXWIAMBNQQTZPI-UHFFFAOYSA-N 0 3 293.367 2.288 20 5 CEBDHN CC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182421492 368561677 /nfs/dbraw/zinc/56/16/77/368561677.db2.gz KCUBKPUDAKATAV-LBPRGKRZSA-N 0 3 293.327 2.137 20 5 CEBDHN CCOC(=O)C[C@@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000182624491 368571917 /nfs/dbraw/zinc/57/19/17/368571917.db2.gz GBXLQFYEJIUTJI-LLVKDONJSA-N 0 3 280.324 2.368 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCC[C@@H]1O ZINC000348547311 369082693 /nfs/dbraw/zinc/08/26/93/369082693.db2.gz OLMPFFDIHXPOPE-KGLIPLIRSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000188083875 369291858 /nfs/dbraw/zinc/29/18/58/369291858.db2.gz QNIMAMMATREJGP-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1nc(NC[C@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000349414229 369323732 /nfs/dbraw/zinc/32/37/32/369323732.db2.gz MXSMZBROPUKNCC-NEPJUHHUSA-N 0 3 292.383 2.395 20 5 CEBDHN CC1(C)[C@H](O)C[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000189332809 369498548 /nfs/dbraw/zinc/49/85/48/369498548.db2.gz SVFWZKMDGWBPQQ-CXSYMGSUSA-N 0 3 276.336 2.357 20 5 CEBDHN C[C@@H](O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352571191 369790507 /nfs/dbraw/zinc/79/05/07/369790507.db2.gz RHCVTJCIWUAQKU-GFCCVEGCSA-N 0 3 266.341 2.230 20 5 CEBDHN COc1cc(CN2C[C@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352768205 369875087 /nfs/dbraw/zinc/87/50/87/369875087.db2.gz GJLONAAQRPMAMM-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN COc1cc(CN[C@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352812921 369889711 /nfs/dbraw/zinc/88/97/11/369889711.db2.gz ARTMKBDBRVSLOY-KOLCDFICSA-N 0 3 282.365 2.445 20 5 CEBDHN COc1cc(C[NH2+]CC2(SC)CC2)c([N+](=O)[O-])cc1[O-] ZINC000193653294 369968147 /nfs/dbraw/zinc/96/81/47/369968147.db2.gz BUTXBYMTZYIZKN-UHFFFAOYSA-N 0 3 298.364 2.294 20 5 CEBDHN CC(C)[C@H]1CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028187 369989967 /nfs/dbraw/zinc/98/99/67/369989967.db2.gz PJDOAYCDGBBGBG-UKRRQHHQSA-N 0 3 294.351 2.065 20 5 CEBDHN CC[C@H](N[C@@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223966780 370274437 /nfs/dbraw/zinc/27/44/37/370274437.db2.gz KRMVUMLBTQTROA-JSGCOSHPSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000354434855 370362327 /nfs/dbraw/zinc/36/23/27/370362327.db2.gz AYOFVCJOVGHKEI-BETUJISGSA-N 0 3 277.368 2.428 20 5 CEBDHN CCC[C@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000226249804 370332194 /nfs/dbraw/zinc/33/21/94/370332194.db2.gz NJGRACAWNRNPHH-NSHDSACASA-N 0 3 258.343 2.297 20 5 CEBDHN CSCC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321137 371013514 /nfs/dbraw/zinc/01/35/14/371013514.db2.gz QQPAKLOURNRPBF-ZYHUDNBSSA-N 0 3 284.381 2.359 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C(C)C)C1 ZINC000360965518 371567283 /nfs/dbraw/zinc/56/72/83/371567283.db2.gz HDMOEYPKZDZICY-NSHDSACASA-N 0 3 281.360 2.014 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCN(C)[C@H]1C ZINC000361045999 371618970 /nfs/dbraw/zinc/61/89/70/371618970.db2.gz ZGUITIXSDFNHMU-GXSJLCMTSA-N 0 3 281.360 2.014 20 5 CEBDHN C[C@H]1C[C@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000344176196 217087094 /nfs/dbraw/zinc/08/70/94/217087094.db2.gz RJKVBUJGZCAREF-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1nc(N[C@H]2CCN(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000268529369 372127426 /nfs/dbraw/zinc/12/74/26/372127426.db2.gz WSVJLANQBQNSJD-NSHDSACASA-N 0 3 264.329 2.193 20 5 CEBDHN CCC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796056 372225842 /nfs/dbraw/zinc/22/58/42/372225842.db2.gz BRXHUUZRGRTHEY-TZMCWYRMSA-N 0 3 291.351 2.256 20 5 CEBDHN COc1ccc(CN[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344332541 217155249 /nfs/dbraw/zinc/15/52/49/217155249.db2.gz OGRVMLBQOLKSLP-WCQYABFASA-N 0 3 293.367 2.176 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000269662099 372523599 /nfs/dbraw/zinc/52/35/99/372523599.db2.gz QKYJUWMBNVXLLX-GUTXKFCHSA-N 0 3 276.336 2.360 20 5 CEBDHN CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1N(C)C ZINC000270688339 372901731 /nfs/dbraw/zinc/90/17/31/372901731.db2.gz WWHWBTSIBCTDNL-ZIAGYGMSSA-N 0 3 295.408 2.072 20 5 CEBDHN CCN(CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271046905 373087960 /nfs/dbraw/zinc/08/79/60/373087960.db2.gz MJEJOGBOFVLDBX-UHFFFAOYSA-N 0 3 252.314 2.372 20 5 CEBDHN COc1cccc(CCNCc2ccccc2[N+](=O)[O-])n1 ZINC000344959624 217369348 /nfs/dbraw/zinc/36/93/48/217369348.db2.gz XPAXUJHCOXSUGK-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CCCN(C)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000345003205 217383254 /nfs/dbraw/zinc/38/32/54/217383254.db2.gz OLRNHKAMLMCFFG-UHFFFAOYSA-N 0 3 299.758 2.206 20 5 CEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000274478891 373936424 /nfs/dbraw/zinc/93/64/24/373936424.db2.gz NUQJSXOTVXCEAC-CYBMUJFWSA-N 0 3 292.383 2.033 20 5 CEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)C ZINC000277789664 193759422 /nfs/dbraw/zinc/75/94/22/193759422.db2.gz FSPWHDASKISQSV-VIFPVBQESA-N 0 3 299.758 2.237 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)CC2CCC2)c1 ZINC000279866706 375014796 /nfs/dbraw/zinc/01/47/96/375014796.db2.gz SXDULESLQIFSQN-CYBMUJFWSA-N 0 3 264.325 2.236 20 5 CEBDHN CC[C@H](NC(COC)COC)c1cccc([N+](=O)[O-])c1 ZINC000388394741 375290462 /nfs/dbraw/zinc/29/04/62/375290462.db2.gz GSCVHLFMZDKGJJ-AWEZNQCLSA-N 0 3 282.340 2.297 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000283175783 375669181 /nfs/dbraw/zinc/66/91/81/375669181.db2.gz ZKXPGGPEFHTGET-UHFFFAOYSA-N 0 3 276.336 2.416 20 5 CEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230882 375879342 /nfs/dbraw/zinc/87/93/42/375879342.db2.gz DQWYDONKXQDSFZ-VXGBXAGGSA-N 0 3 276.340 2.053 20 5 CEBDHN CC(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000286282376 375897072 /nfs/dbraw/zinc/89/70/72/375897072.db2.gz FANMVYIHIUPBCL-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CN1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000287649858 376284737 /nfs/dbraw/zinc/28/47/37/376284737.db2.gz CBILRYQMMGODOO-SECBINFHSA-N 0 3 253.277 2.098 20 5 CEBDHN C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305725970 376457449 /nfs/dbraw/zinc/45/74/49/376457449.db2.gz LLODNUHAYJNBIG-DOMZBBRYSA-N 0 3 294.351 2.066 20 5 CEBDHN COc1cc(CN2CCC[C@@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000305842148 376516969 /nfs/dbraw/zinc/51/69/69/376516969.db2.gz RKAXHACREKBHLT-CQSZACIVSA-N 0 3 294.351 2.339 20 5 CEBDHN COc1cc(CN2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305844987 376518222 /nfs/dbraw/zinc/51/82/22/376518222.db2.gz SGJAOCUDUMZAHQ-DGCLKSJQSA-N 0 3 294.351 2.339 20 5 CEBDHN CO[C@H](C)[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000289756099 376484153 /nfs/dbraw/zinc/48/41/53/376484153.db2.gz IPSPPBXWVCPALG-GHMZBOCLSA-N 0 3 252.314 2.416 20 5 CEBDHN C[C@@H](CO)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000312003486 376698148 /nfs/dbraw/zinc/69/81/48/376698148.db2.gz QPVMQBRRQKUKAD-SNVBAGLBSA-N 0 3 270.304 2.232 20 5 CEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264669451 190127336 /nfs/dbraw/zinc/12/73/36/190127336.db2.gz IZQBZVJRPDNPGQ-AWEZNQCLSA-N 0 3 291.351 2.199 20 5 CEBDHN CCC[C@H](NC[C@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323434 376797607 /nfs/dbraw/zinc/79/76/07/376797607.db2.gz MHAHCBZYYAPQIY-GJZGRUSLSA-N 0 3 296.367 2.423 20 5 CEBDHN N[C@@H]1CCCc2cn(CCc3ccc([N+](=O)[O-])cc3)nc21 ZINC000564075593 377343127 /nfs/dbraw/zinc/34/31/27/377343127.db2.gz HGTMEJMCRYAGHT-CQSZACIVSA-N 0 3 286.335 2.370 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@@]2(CCN(C)C2)C1 ZINC000564666000 377428570 /nfs/dbraw/zinc/42/85/70/377428570.db2.gz CJWWNPXPCYEBOI-OAHLLOKOSA-N 0 3 291.351 2.135 20 5 CEBDHN C[C@H](N[C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884854 377460762 /nfs/dbraw/zinc/46/07/62/377460762.db2.gz JOSUVDBDQMJZDI-AAEUAGOBSA-N 0 3 286.335 2.457 20 5 CEBDHN COC(=O)CC1(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000565084792 377554564 /nfs/dbraw/zinc/55/45/64/377554564.db2.gz ILDVQWDTMFRCJF-UHFFFAOYSA-N 0 3 278.308 2.089 20 5 CEBDHN CCOc1cc(CN(CC)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000293458238 377574844 /nfs/dbraw/zinc/57/48/44/377574844.db2.gz PZYFNKCHMSXCLQ-NSHDSACASA-N 0 3 282.340 2.196 20 5 CEBDHN C[C@@H](CN(C)C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000574395409 299491533 /nfs/dbraw/zinc/49/15/33/299491533.db2.gz CJABKYJMBLCQST-JTQLQIEISA-N 0 3 278.356 2.231 20 5 CEBDHN CC(C)(C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000265452400 190183434 /nfs/dbraw/zinc/18/34/34/190183434.db2.gz ULOVGQPOZCRRFA-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN COC[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000265733816 190202859 /nfs/dbraw/zinc/20/28/59/190202859.db2.gz AKDNLOWAUALPSJ-LBPRGKRZSA-N 0 3 280.324 2.072 20 5 CEBDHN Cn1cnc(CCNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000313268230 249392344 /nfs/dbraw/zinc/39/23/44/249392344.db2.gz VUEDEKJYIHVKEB-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CCN(CC)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293886429 377807072 /nfs/dbraw/zinc/80/70/72/377807072.db2.gz GAJSSRRNGCMNSQ-UHFFFAOYSA-N 0 3 293.367 2.288 20 5 CEBDHN Cc1nc(N[C@H](C)CN2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568459 378216618 /nfs/dbraw/zinc/21/66/18/378216618.db2.gz QZEILGWSMMIACY-WDEREUQCSA-N 0 3 293.371 2.226 20 5 CEBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(N)CCC1 ZINC000295720895 378277209 /nfs/dbraw/zinc/27/72/09/378277209.db2.gz NNOVAVRMIHGXRD-UHFFFAOYSA-N 0 3 297.742 2.088 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000296223169 378457868 /nfs/dbraw/zinc/45/78/68/378457868.db2.gz CAIGJVYKQYLYAO-JFGNBEQYSA-N 0 3 250.298 2.250 20 5 CEBDHN Cc1cc(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000302244347 379344898 /nfs/dbraw/zinc/34/48/98/379344898.db2.gz KDBAVDKSNBHMNN-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1cnc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268208324 190386535 /nfs/dbraw/zinc/38/65/35/190386535.db2.gz YXACFJBCEBFOSE-CMPLNLGQSA-N 0 3 276.340 2.193 20 5 CEBDHN CC1(C)CC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551532848 380647536 /nfs/dbraw/zinc/64/75/36/380647536.db2.gz HDAWJOLKUMJFLT-LBPRGKRZSA-N 0 3 277.324 2.312 20 5 CEBDHN CO[C@@]1(C)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000279335898 194389730 /nfs/dbraw/zinc/38/97/30/194389730.db2.gz PHEXZDSRIWGLQP-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCc3c[nH]nc3C2)cs1 ZINC000374541469 285086705 /nfs/dbraw/zinc/08/67/05/285086705.db2.gz NWIUKJDHDAWWKJ-JTQLQIEISA-N 0 3 278.337 2.027 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[C@H](C)O ZINC000350454863 219023263 /nfs/dbraw/zinc/02/32/63/219023263.db2.gz GBJSIKDKBSGRNG-QWRGUYRKSA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCOC1)CCC2 ZINC000193045461 285145472 /nfs/dbraw/zinc/14/54/72/285145472.db2.gz HYHSZIYAOMVNDU-SMDDNHRTSA-N 0 3 262.309 2.351 20 5 CEBDHN Cc1cc(C(=O)NC2(CN(C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281188275 195142211 /nfs/dbraw/zinc/14/22/11/195142211.db2.gz ZJTZNMCEVQGYRM-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CN1CCN(CCNc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000281668652 195328856 /nfs/dbraw/zinc/32/88/56/195328856.db2.gz PKIVXMXYGMEGDG-UHFFFAOYSA-N 0 3 292.383 2.033 20 5 CEBDHN C[C@H](CO)CCCNCc1ccccc1[N+](=O)[O-] ZINC000230157912 130893795 /nfs/dbraw/zinc/89/37/95/130893795.db2.gz IZUNMEOCHYGMSA-NSHDSACASA-N 0 3 252.314 2.093 20 5 CEBDHN CCN1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301530177 394461633 /nfs/dbraw/zinc/46/16/33/394461633.db2.gz PBILQFLPDACEAA-UHFFFAOYSA-N 0 3 297.330 2.275 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000421012938 394461743 /nfs/dbraw/zinc/46/17/43/394461743.db2.gz UHNCMQQATMZDIM-ZDUSSCGKSA-N 0 3 263.341 2.121 20 5 CEBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413185602 394499838 /nfs/dbraw/zinc/49/98/38/394499838.db2.gz QPQUAWRDJBKPBO-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN Cc1cc(N(C)[C@@H]2CCN(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268197352 394691352 /nfs/dbraw/zinc/69/13/52/394691352.db2.gz WWCLTXMRASIINV-NWDGAFQWSA-N 0 3 278.356 2.075 20 5 CEBDHN CC[C@@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908158 394922014 /nfs/dbraw/zinc/92/20/14/394922014.db2.gz DEVIPXAXOJRZPO-JQWIXIFHSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788443 394928878 /nfs/dbraw/zinc/92/88/78/394928878.db2.gz TUFLFXVXKPABHK-TXEJJXNPSA-N 0 3 263.341 2.432 20 5 CEBDHN CCC[C@@](C)(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842734 395000700 /nfs/dbraw/zinc/00/07/00/395000700.db2.gz KGFQLBGDBPSXRQ-CYBMUJFWSA-N 0 3 299.758 2.382 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846727 395001211 /nfs/dbraw/zinc/00/12/11/395001211.db2.gz NXOSBMQCMDHBKZ-UFBFGSQYSA-N 0 3 299.758 2.238 20 5 CEBDHN COc1ccc(CNCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000436413213 395115432 /nfs/dbraw/zinc/11/54/32/395115432.db2.gz SSSACDMCLLQUGX-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000430199152 395163465 /nfs/dbraw/zinc/16/34/65/395163465.db2.gz AXYRVBDNWXIRRI-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1ccc(CN2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353438775 395296833 /nfs/dbraw/zinc/29/68/33/395296833.db2.gz VNLBVZBSCXIZED-ZDUSSCGKSA-N 0 3 277.368 2.429 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)c1 ZINC000420635228 395395659 /nfs/dbraw/zinc/39/56/59/395395659.db2.gz LOBWEWWWGQONQI-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1ccc(CNC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000135225750 400280237 /nfs/dbraw/zinc/28/02/37/400280237.db2.gz RRWFSIKOWKQPJX-UHFFFAOYSA-N 0 3 252.314 2.154 20 5 CEBDHN O=C(NCc1ccc2c(c1)CNC2)c1ccccc1[N+](=O)[O-] ZINC000188668335 153065774 /nfs/dbraw/zinc/06/57/74/153065774.db2.gz WKFMRLDUNZTFCX-UHFFFAOYSA-N 0 3 297.314 2.128 20 5 CEBDHN COc1ccc(CN[C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000230153275 153386186 /nfs/dbraw/zinc/38/61/86/153386186.db2.gz VIOCJEWEBOXERW-IINYFYTJSA-N 0 3 280.324 2.261 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000352658995 154327290 /nfs/dbraw/zinc/32/72/90/154327290.db2.gz HMXOZRHIWCBTEE-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@@H](CO)[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000167060872 165035723 /nfs/dbraw/zinc/03/57/23/165035723.db2.gz CIKAZPHXJKXUMP-IUCAKERBSA-N 0 3 272.732 2.355 20 5 CEBDHN CC(C)OCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285246270 196231964 /nfs/dbraw/zinc/23/19/64/196231964.db2.gz PUYBKDNIAVRVJC-SNVBAGLBSA-N 0 3 267.329 2.253 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCO2)cc1 ZINC000037668603 173610501 /nfs/dbraw/zinc/61/05/01/173610501.db2.gz SUWMCSNAHMODLZ-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@@H](N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685519 175231401 /nfs/dbraw/zinc/23/14/01/175231401.db2.gz IZRRMCSFMLSICC-DGCLKSJQSA-N 0 3 275.352 2.482 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2CC2)c(Cl)c1 ZINC000071304610 176115101 /nfs/dbraw/zinc/11/51/01/176115101.db2.gz KCTMJOJMGOJVRS-LBPRGKRZSA-N 0 3 270.716 2.109 20 5 CEBDHN CCN(CCNc1ncc(C)cc1[N+](=O)[O-])C1CC1 ZINC000078657566 177367274 /nfs/dbraw/zinc/36/72/74/177367274.db2.gz SWBFHRXZRWYREF-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1COCC1(C)C ZINC000449625517 260770533 /nfs/dbraw/zinc/77/05/33/260770533.db2.gz SNMIXCGMSHDHJV-ZDUSSCGKSA-N 0 3 264.325 2.418 20 5 CEBDHN C[C@H](NCCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395875288 270348545 /nfs/dbraw/zinc/34/85/45/270348545.db2.gz MCJJIXYPMJKVKM-NSHDSACASA-N 0 3 264.325 2.408 20 5 CEBDHN CC(C)C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000193482666 270285665 /nfs/dbraw/zinc/28/56/65/270285665.db2.gz GLSNALSJSKSMDS-LLVKDONJSA-N 0 3 299.396 2.362 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000395157352 270345379 /nfs/dbraw/zinc/34/53/79/270345379.db2.gz CJGGVNGGPSVOQJ-TZMCWYRMSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@@H]1C[C@H](CO)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642027 270360574 /nfs/dbraw/zinc/36/05/74/270360574.db2.gz XQFTYMOTDVDVQM-NEPJUHHUSA-N 0 3 264.325 2.045 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424325407 271045162 /nfs/dbraw/zinc/04/51/62/271045162.db2.gz KRWRETXMWPTZQA-IRUJWGPZSA-N 0 3 280.324 2.167 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000428461537 271270942 /nfs/dbraw/zinc/27/09/42/271270942.db2.gz OZZCRZDYVVXGJE-CYBMUJFWSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)CC(F)F ZINC000428639382 271284141 /nfs/dbraw/zinc/28/41/41/271284141.db2.gz JFKYWWKLSIPOFU-JTQLQIEISA-N 0 3 274.267 2.009 20 5 CEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1N(C)C ZINC000270300107 274182590 /nfs/dbraw/zinc/18/25/90/274182590.db2.gz AMHFWVULPKBFRU-CHWSQXEVSA-N 0 3 299.371 2.216 20 5 CEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000270301234 274186705 /nfs/dbraw/zinc/18/67/05/274186705.db2.gz AMHFWVULPKBFRU-STQMWFEESA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000356979711 279103600 /nfs/dbraw/zinc/10/36/00/279103600.db2.gz FDVJLHYENYDHHK-NWDGAFQWSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994335 279577301 /nfs/dbraw/zinc/57/73/01/279577301.db2.gz FDSNOGBNALZFHP-TVQRCGJNSA-N 0 3 264.325 2.288 20 5 CEBDHN C[C@H](N[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246552881 280300781 /nfs/dbraw/zinc/30/07/81/280300781.db2.gz WQMVWXGKACRPIS-ZWKOPEQDSA-N 0 3 250.298 2.159 20 5 CEBDHN NC(=O)c1ccc(CN2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426454917 281194374 /nfs/dbraw/zinc/19/43/74/281194374.db2.gz AXRIKRWFKUIDMA-MFKMUULPSA-N 0 3 289.335 2.068 20 5 CEBDHN C[C@H](N[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685726 290017325 /nfs/dbraw/zinc/01/73/25/290017325.db2.gz LKUHYIXTGKDSGQ-WCQYABFASA-N 0 3 275.352 2.482 20 5 CEBDHN CN1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000272143832 290160101 /nfs/dbraw/zinc/16/01/01/290160101.db2.gz BWNXGLURUJKNEN-MFKMUULPSA-N 0 3 279.315 2.264 20 5 CEBDHN O=C(CN[C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000459791152 290241110 /nfs/dbraw/zinc/24/11/10/290241110.db2.gz SLZUOZNCKXYGGK-WOPDTQHZSA-N 0 3 289.335 2.312 20 5 CEBDHN Cc1nc(N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000471723221 290279327 /nfs/dbraw/zinc/27/93/27/290279327.db2.gz DGRWJYMZHNBYGO-BXKDBHETSA-N 0 3 276.340 2.193 20 5 CEBDHN Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487069907 290330140 /nfs/dbraw/zinc/33/01/40/290330140.db2.gz SZJGFRPTFBQWAK-CYBMUJFWSA-N 0 3 278.356 2.075 20 5 CEBDHN COc1cccc(N2CCN(C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487073704 290331057 /nfs/dbraw/zinc/33/10/57/290331057.db2.gz PXMWJAXLIQJTPG-ZDUSSCGKSA-N 0 3 293.367 2.380 20 5 CEBDHN COCC1(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000531702047 298116553 /nfs/dbraw/zinc/11/65/53/298116553.db2.gz QNVZGHNQZOXNAF-UHFFFAOYSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000548097258 298393640 /nfs/dbraw/zinc/39/36/40/298393640.db2.gz PGQBHSBFIOCLCV-GHMZBOCLSA-N 0 3 277.324 2.406 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)C(F)F ZINC000577443809 314376933 /nfs/dbraw/zinc/37/69/33/314376933.db2.gz LUWLUCHIKGISAW-KWQFWETISA-N 0 3 274.267 2.180 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000580718374 322338802 /nfs/dbraw/zinc/33/88/02/322338802.db2.gz UYKIFYMWLWOXOL-DGCLKSJQSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1nc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000412024903 534612406 /nfs/dbraw/zinc/61/24/06/534612406.db2.gz GCNHKHLYYFPSMH-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1n[nH]c([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000412024903 534612408 /nfs/dbraw/zinc/61/24/08/534612408.db2.gz GCNHKHLYYFPSMH-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nnc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412024903 534612412 /nfs/dbraw/zinc/61/24/12/534612412.db2.gz GCNHKHLYYFPSMH-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN COCCOC[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205603 524024868 /nfs/dbraw/zinc/02/48/68/524024868.db2.gz RDWXOQCLMOHPGZ-RYUDHWBXSA-N 0 3 282.340 2.297 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCC[C@@H](CO)C2)c1 ZINC000363479794 527387128 /nfs/dbraw/zinc/38/71/28/527387128.db2.gz JTMYDLHMTUWUNC-CYBMUJFWSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCCC2)c1 ZINC000062351363 527394929 /nfs/dbraw/zinc/39/49/29/527394929.db2.gz JTQMEECZHBGGRC-CYBMUJFWSA-N 0 3 250.298 2.114 20 5 CEBDHN COC(=O)C1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000730107258 574502046 /nfs/dbraw/zinc/50/20/46/574502046.db2.gz FJJPYDPEWDZZEO-UHFFFAOYSA-N 0 3 298.364 2.478 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC[C@@H]1C ZINC000742236760 575012237 /nfs/dbraw/zinc/01/22/37/575012237.db2.gz FQJHWZCZGWDUHN-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN COCCOC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479547 575104872 /nfs/dbraw/zinc/10/48/72/575104872.db2.gz IOWNBVJTIPUBQC-NWDGAFQWSA-N 0 3 282.340 2.297 20 5 CEBDHN C[C@H]1CSCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838275 575345203 /nfs/dbraw/zinc/34/52/03/575345203.db2.gz SEORQKCUECAUTK-BXUZGUMPSA-N 0 3 296.392 2.313 20 5 CEBDHN CCOC[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000044691236 623239615 /nfs/dbraw/zinc/23/96/15/623239615.db2.gz UZUCMDBLCMLFAF-LLVKDONJSA-N 0 3 252.314 2.418 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1N[C@H](C)CN1CCCCC1 ZINC000891792461 623973546 /nfs/dbraw/zinc/97/35/46/623973546.db2.gz IJQTYYYNTWNGLM-LLVKDONJSA-N 0 3 294.355 2.285 20 5 CEBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194239 624309104 /nfs/dbraw/zinc/30/91/04/624309104.db2.gz BBEBIYISAFRADS-SKDRFNHKSA-N 0 3 293.348 2.436 20 5 CEBDHN CCn1cnc(CNCCc2cccc([N+](=O)[O-])c2)c1 ZINC000902426112 634647952 /nfs/dbraw/zinc/64/79/52/634647952.db2.gz QOLLEYLIICTUNC-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN C[C@@H](CCCO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000094943895 628883731 /nfs/dbraw/zinc/88/37/31/628883731.db2.gz JQYNYMZZRVANJQ-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN COc1cc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000924955798 629293665 /nfs/dbraw/zinc/29/36/65/629293665.db2.gz QUEDLINVWGQKAG-SNVBAGLBSA-N 0 3 291.307 2.485 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c1C ZINC000928430075 629566187 /nfs/dbraw/zinc/56/61/87/629566187.db2.gz ZOYJOQLHQQSUFC-VXGBXAGGSA-N 0 3 291.351 2.034 20 5 CEBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1F ZINC000895191342 630021974 /nfs/dbraw/zinc/02/19/74/630021974.db2.gz NXYGHNLMXACFKX-CMPLNLGQSA-N 0 3 279.315 2.407 20 5 CEBDHN C[C@@H]1[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CCN1C ZINC000895734961 630324953 /nfs/dbraw/zinc/32/49/53/630324953.db2.gz BGPVCLBBWBRRSA-ZYHUDNBSSA-N 0 3 290.367 2.373 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000896400707 630554128 /nfs/dbraw/zinc/55/41/28/630554128.db2.gz FOAMGQTYHKSTBM-KXGXSXBTSA-N 0 3 292.335 2.443 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000896400707 630554133 /nfs/dbraw/zinc/55/41/33/630554133.db2.gz FOAMGQTYHKSTBM-KXGXSXBTSA-N 0 3 292.335 2.443 20 5 CEBDHN CCC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601813 631298135 /nfs/dbraw/zinc/29/81/35/631298135.db2.gz OQMZXMFFSIXGNY-UHFFFAOYSA-N 0 3 264.325 2.438 20 5 CEBDHN CN(C)CCSc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804539445 631701778 /nfs/dbraw/zinc/70/17/78/631701778.db2.gz JLHMEDLGUNUIDR-UHFFFAOYSA-N 0 3 271.298 2.157 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000925306119 631762119 /nfs/dbraw/zinc/76/21/19/631762119.db2.gz GPZDOQKTECRVQX-PWSUYJOCSA-N 0 3 292.339 2.117 20 5 CEBDHN CCN(CCC(=O)NC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897709361 631879964 /nfs/dbraw/zinc/87/99/64/631879964.db2.gz BNZMHSRIYASNDW-UHFFFAOYSA-N 0 3 299.758 2.206 20 5 CEBDHN CC(COC(=O)[C@@H]1SCCc2ccccc21)[N+](=O)[O-] ZINC000813099692 632620092 /nfs/dbraw/zinc/62/00/92/632620092.db2.gz ANHGGSZKNAFIHB-JOYOIKCWSA-N 0 3 281.333 2.225 20 5 CEBDHN CC(COC(=O)/C=C/c1ccc2ccccc2n1)[N+](=O)[O-] ZINC000813103040 632621642 /nfs/dbraw/zinc/62/16/42/632621642.db2.gz MCAYWWRDDOSMLB-FBOQAHMBSA-N 0 3 286.287 2.456 20 5 CEBDHN CC(C)C[C@@H](C)OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102854 632621878 /nfs/dbraw/zinc/62/18/78/632621878.db2.gz KKVHZVQUSJECBJ-GHMZBOCLSA-N 0 3 261.318 2.036 20 5 CEBDHN CCc1cccc2c(CC(=O)OCC(C)[N+](=O)[O-])c[nH]c21 ZINC000813102870 632622105 /nfs/dbraw/zinc/62/21/05/632622105.db2.gz KTAIVHGJMQAPMQ-SNVBAGLBSA-N 0 3 290.319 2.481 20 5 CEBDHN CCN(CC)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813103529 632622155 /nfs/dbraw/zinc/62/21/55/632622155.db2.gz CYFVOKQUMMKIMA-TZMCWYRMSA-N 0 3 294.351 2.278 20 5 CEBDHN CC(COC(=O)Cc1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000813104252 632622460 /nfs/dbraw/zinc/62/24/60/632622460.db2.gz KWHCXTNINNECDA-MRVPVSSYSA-N 0 3 291.225 2.456 20 5 CEBDHN CCC(CC)n1nc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813103962 632622911 /nfs/dbraw/zinc/62/29/11/632622911.db2.gz VGHUGVVENYJJCW-JTQLQIEISA-N 0 3 283.328 2.375 20 5 CEBDHN CC(COC(=O)CCc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813107340 632624191 /nfs/dbraw/zinc/62/41/91/632624191.db2.gz MBUMNLUWTIASFE-VIFPVBQESA-N 0 3 271.700 2.481 20 5 CEBDHN CC(COC(=O)c1cc2cccc(F)c2o1)[N+](=O)[O-] ZINC000813106960 632624814 /nfs/dbraw/zinc/62/48/14/632624814.db2.gz IXYDBRKPEIWWAL-ZETCQYMHSA-N 0 3 267.212 2.394 20 5 CEBDHN CC(COC(=O)[C@]1(C)CCc2ccccc2C1)[N+](=O)[O-] ZINC000813107571 632624951 /nfs/dbraw/zinc/62/49/51/632624951.db2.gz TZYFRZOEESIJPN-XHDPSFHLSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813107221 632625004 /nfs/dbraw/zinc/62/50/04/632625004.db2.gz MXHLGESUCAPWAF-MNOVXSKESA-N 0 3 279.292 2.151 20 5 CEBDHN COc1ccccc1[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106753 632625019 /nfs/dbraw/zinc/62/50/19/632625019.db2.gz HJUMIAWGLLHDPU-WDEREUQCSA-N 0 3 281.308 2.397 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813108517 632625593 /nfs/dbraw/zinc/62/55/93/632625593.db2.gz GURZTUSPJYOMFL-SSDOTTSWSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)c1cscc1Br)[N+](=O)[O-] ZINC000813109596 632626711 /nfs/dbraw/zinc/62/67/11/632626711.db2.gz MVKGVWQHDPKEPV-RXMQYKEDSA-N 0 3 294.126 2.333 20 5 CEBDHN C/C(=C\c1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112528 632627175 /nfs/dbraw/zinc/62/71/75/632627175.db2.gz HTURTKZRUUNVRB-PCYYEKQGSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813112651 632627271 /nfs/dbraw/zinc/62/72/71/632627271.db2.gz SEDHCZVPZHSMFI-SECBINFHSA-N 0 3 252.270 2.027 20 5 CEBDHN CC(COC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813113427 632628631 /nfs/dbraw/zinc/62/86/31/632628631.db2.gz PUMXUMTVWCCMQV-UWVGGRQHSA-N 0 3 297.282 2.243 20 5 CEBDHN CC(COC(=O)[C@@H]1CCSc2ccccc21)[N+](=O)[O-] ZINC000813115593 632629054 /nfs/dbraw/zinc/62/90/54/632629054.db2.gz WAOYLFOKHOTADM-GXSJLCMTSA-N 0 3 281.333 2.474 20 5 CEBDHN Cc1ccc(-c2ocnc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114774 632629172 /nfs/dbraw/zinc/62/91/72/632629172.db2.gz WLXMIRJWCCGDOY-JTQLQIEISA-N 0 3 290.275 2.472 20 5 CEBDHN CC(COC(=O)c1ccc(OC(C)(C)C)cn1)[N+](=O)[O-] ZINC000816091232 633115280 /nfs/dbraw/zinc/11/52/80/633115280.db2.gz OWAKHCVGQJEPFA-SECBINFHSA-N 0 3 282.296 2.081 20 5 CEBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819341738 634147249 /nfs/dbraw/zinc/14/72/49/634147249.db2.gz SYJMSALCTHQSQA-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903298970 635046065 /nfs/dbraw/zinc/04/60/65/635046065.db2.gz AUFTUJYRKHWREE-NJZAAPMLSA-N 0 3 294.351 2.358 20 5 CEBDHN CC(C)O[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000828838207 636696588 /nfs/dbraw/zinc/69/65/88/636696588.db2.gz ZLYRFIXWUSAZLS-HUUCEWRRSA-N 0 3 294.351 2.128 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H]2C2CC2)cc1 ZINC000834382180 637806718 /nfs/dbraw/zinc/80/67/18/637806718.db2.gz FTTLXGKGXRUIRO-KBPBESRZSA-N 0 3 262.309 2.113 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](CO)C1 ZINC000876659775 650384009 /nfs/dbraw/zinc/38/40/09/650384009.db2.gz FXBLWQFHWYOGLD-GFCCVEGCSA-N 0 3 264.325 2.026 20 5 CEBDHN CC(COC(=O)C1(C(F)(F)F)CCCC1)[N+](=O)[O-] ZINC000842363713 640030452 /nfs/dbraw/zinc/03/04/52/640030452.db2.gz OGRZBVIJWRYRBE-SSDOTTSWSA-N 0 3 269.219 2.318 20 5 CEBDHN CC(C)(CCc1noc([C@@H]2CC[C@@H](C3CC3)N2)n1)[N+](=O)[O-] ZINC000844920567 640866288 /nfs/dbraw/zinc/86/62/88/640866288.db2.gz SUFARSNDQOLBBC-QWRGUYRKSA-N 0 3 294.355 2.261 20 5 CEBDHN CC(COC(=O)c1cccc2c1OC(C)(C)C2)[N+](=O)[O-] ZINC000847714075 641748543 /nfs/dbraw/zinc/74/85/43/641748543.db2.gz JUZWHJRCFGTCIW-SECBINFHSA-N 0 3 279.292 2.222 20 5 CEBDHN Cc1cc(CCNCc2ccc([N+](=O)[O-])cc2F)nn1C ZINC000922690954 643207500 /nfs/dbraw/zinc/20/75/00/643207500.db2.gz XYSWCUFYDCYAKN-UHFFFAOYSA-N 0 3 292.314 2.108 20 5 CEBDHN Cc1cc(C)cc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000853126482 643668984 /nfs/dbraw/zinc/66/89/84/643668984.db2.gz GVEOCDKKNSDLHV-NSHDSACASA-N 0 3 251.282 2.054 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(C[C@H](O)C2CC2)C2CC2)c1 ZINC000838872617 644059002 /nfs/dbraw/zinc/05/90/02/644059002.db2.gz JHFQRIYBIFUEHI-HNNXBMFYSA-N 0 3 276.336 2.330 20 5 CEBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059221 645686319 /nfs/dbraw/zinc/68/63/19/645686319.db2.gz WYQYNEYKKKXNFB-CABZTGNLSA-N 0 3 293.348 2.436 20 5 CEBDHN C[C@H]1OCC[C@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302929 651060225 /nfs/dbraw/zinc/06/02/25/651060225.db2.gz BDCACFHUYVPRAT-NEPJUHHUSA-N 0 3 276.336 2.378 20 5 CEBDHN O=[N+]([O-])c1cc(CO)c(NCCN2CCCCC2)cc1F ZINC000865444669 647296496 /nfs/dbraw/zinc/29/64/96/647296496.db2.gz WBMRKKUPOVRQQK-UHFFFAOYSA-N 0 3 297.330 2.124 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C)C(C)(C)CC1 ZINC000866112874 647614631 /nfs/dbraw/zinc/61/46/31/647614631.db2.gz MRVBPYDDXHLJMS-UHFFFAOYSA-N 0 3 295.387 2.040 20 5 CEBDHN COc1cc(F)c(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000870377309 648789452 /nfs/dbraw/zinc/78/94/52/648789452.db2.gz PWIYULJBOLJLHM-LURJTMIESA-N 0 3 291.662 2.310 20 5 CEBDHN CON(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872083905 649268288 /nfs/dbraw/zinc/26/82/88/649268288.db2.gz DWPZICQSRWOBMR-SNVBAGLBSA-N 0 3 299.396 2.461 20 5 CEBDHN C[C@@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129533 649287666 /nfs/dbraw/zinc/28/76/66/649287666.db2.gz KDHWMTGIGNGTCF-HBNTYKKESA-N 0 3 250.298 2.423 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211917 651629894 /nfs/dbraw/zinc/62/98/94/651629894.db2.gz KBXAUBACAKZHNX-GFCCVEGCSA-N 0 3 289.339 2.343 20 5 CEBDHN CC[S@](=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130870876 652350746 /nfs/dbraw/zinc/35/07/46/652350746.db2.gz YFPOXZRECGYKJX-JEOXALJRSA-N 0 3 284.381 2.322 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCC2)c1 ZINC000697430828 806371368 /nfs/dbraw/zinc/37/13/68/806371368.db2.gz QRJFHVGMOPKROC-UHFFFAOYSA-N 0 3 269.732 2.044 20 5 CEBDHN CCC1(CNc2cc3c(cc2[N+](=O)[O-])CNC3)COC1 ZINC001168331868 806659192 /nfs/dbraw/zinc/65/91/92/806659192.db2.gz CBMXTABOFXNBRH-UHFFFAOYSA-N 0 3 277.324 2.037 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC2CSC2)c(F)c1 ZINC000698006093 806901278 /nfs/dbraw/zinc/90/12/78/806901278.db2.gz VILYPUGROXQTBA-UHFFFAOYSA-N 0 3 256.302 2.187 20 5 CEBDHN CO[C@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244499 815077860 /nfs/dbraw/zinc/07/78/60/815077860.db2.gz HIABZLCBEIYVMS-KOLCDFICSA-N 0 3 291.307 2.393 20 5 CEBDHN CN1CCCC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC001120884836 815290514 /nfs/dbraw/zinc/29/05/14/815290514.db2.gz QXGXSPHXLOXZBJ-SECBINFHSA-N 0 3 268.292 2.025 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000709933168 809975943 /nfs/dbraw/zinc/97/59/43/809975943.db2.gz LKWMRYUTMRCIAZ-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CN(CC[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001119817038 810549219 /nfs/dbraw/zinc/54/92/19/810549219.db2.gz MLFALJAVSLFMDK-ZIAGYGMSSA-N 0 3 282.315 2.254 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCOc3ccccc3C2)C1 ZINC001169030363 811345052 /nfs/dbraw/zinc/34/50/52/811345052.db2.gz ZBWJDVHEYUOBOD-GXTWGEPZSA-N 0 3 276.336 2.326 20 5 CEBDHN CC(COC(=O)c1oc(C2CC2)nc1C(F)F)[N+](=O)[O-] ZINC001122949708 815457196 /nfs/dbraw/zinc/45/71/96/815457196.db2.gz AOFNQRBYXREGEI-YFKPBYRVSA-N 0 3 290.222 2.312 20 5 CEBDHN Cc1ccc2c(ccnc2NCC2CN(C)C2)c1[N+](=O)[O-] ZINC001170252471 812371641 /nfs/dbraw/zinc/37/16/41/812371641.db2.gz NHYVVBSTRVFRFQ-UHFFFAOYSA-N 0 3 286.335 2.425 20 5 CEBDHN COc1ccc(C[C@@H](C)NCc2ccno2)c([N+](=O)[O-])c1 ZINC001170298952 812376659 /nfs/dbraw/zinc/37/66/59/812376659.db2.gz OOINQSICXLBFJZ-SNVBAGLBSA-N 0 3 291.307 2.312 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]12CCOC2 ZINC001173233374 815632679 /nfs/dbraw/zinc/63/26/79/815632679.db2.gz VZAHLRRYSDHCTD-IUODEOHRSA-N 0 3 276.336 2.391 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cnn(C)c1 ZINC001173230569 815633076 /nfs/dbraw/zinc/63/30/76/815633076.db2.gz YYEJOLDXIANAJY-LBPRGKRZSA-N 0 3 288.351 2.391 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccncn1 ZINC001173213924 815636694 /nfs/dbraw/zinc/63/66/94/815636694.db2.gz MBNHUBBXVCQEOH-NSHDSACASA-N 0 3 272.308 2.106 20 5 CEBDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000124446652 187137734 /nfs/dbraw/zinc/13/77/34/187137734.db2.gz LTZFDCLRBSGDCG-CQSZACIVSA-N 0 3 291.351 2.085 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCC[C@@H]1O ZINC000601303527 346816185 /nfs/dbraw/zinc/81/61/85/346816185.db2.gz FSLDSKYKTMHCDG-XDTLVQLUSA-N 0 3 280.324 2.167 20 5 CEBDHN CN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000034993935 361802402 /nfs/dbraw/zinc/80/24/02/361802402.db2.gz CLXLIPSECNFECD-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN C[C@@H](NC[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125433345 187184391 /nfs/dbraw/zinc/18/43/91/187184391.db2.gz PEUXAJNPDXHRTA-IUODEOHRSA-N 0 3 294.351 2.035 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCOC(F)F)c(F)c1 ZINC000337868690 214294082 /nfs/dbraw/zinc/29/40/82/214294082.db2.gz PPRQKROGVBNHSZ-UHFFFAOYSA-N 0 3 278.230 2.453 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCc1ccncc1 ZINC000037871550 361957835 /nfs/dbraw/zinc/95/78/35/361957835.db2.gz ATBOOPAEKBGSMN-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN CC1CCN(CCNc2ccncc2[N+](=O)[O-])CC1 ZINC000040772405 361997498 /nfs/dbraw/zinc/99/74/98/361997498.db2.gz HOUGTDUQQBQTJB-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN C[C@@H](NC[C@@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745830 187198275 /nfs/dbraw/zinc/19/82/75/187198275.db2.gz ZAKYQYLDKDMNPY-IUODEOHRSA-N 0 3 294.351 2.035 20 5 CEBDHN CC(C)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000041664533 362046198 /nfs/dbraw/zinc/04/61/98/362046198.db2.gz NUPFLXQMXZAPGX-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426088 282231385 /nfs/dbraw/zinc/23/13/85/282231385.db2.gz QRPOVEUCWRRYMF-KGLIPLIRSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCCn2ccnc2)cs1 ZINC000045106384 343480780 /nfs/dbraw/zinc/48/07/80/343480780.db2.gz TZXUQESSYIBXSW-UHFFFAOYSA-N 0 3 280.353 2.423 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CC)[C@H](C)O ZINC000449543720 282278106 /nfs/dbraw/zinc/27/81/06/282278106.db2.gz OTCLNRAJSNYSMO-GXFFZTMASA-N 0 3 282.340 2.243 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1O ZINC000127141697 187284935 /nfs/dbraw/zinc/28/49/35/187284935.db2.gz PZLDMEGLQJHHOJ-KGLIPLIRSA-N 0 3 264.325 2.330 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000088719019 344112996 /nfs/dbraw/zinc/11/29/96/344112996.db2.gz FDYGWQNETYSLEV-CYBMUJFWSA-N 0 3 293.367 2.426 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134934268 344378451 /nfs/dbraw/zinc/37/84/51/344378451.db2.gz FPGWJQIZNFUSMY-NSHDSACASA-N 0 3 297.742 2.072 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000228112350 344558877 /nfs/dbraw/zinc/55/88/77/344558877.db2.gz VEEMRZYLOKRYBM-GZBFAFLISA-N 0 3 276.336 2.106 20 5 CEBDHN CCC[C@@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229964999 344569582 /nfs/dbraw/zinc/56/95/82/344569582.db2.gz PXTUESVVIAPCJK-CYBMUJFWSA-N 0 3 289.339 2.229 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000602569238 347081823 /nfs/dbraw/zinc/08/18/23/347081823.db2.gz PRKCTIQSSQXIBI-IAGOWNOFSA-N 0 3 298.342 2.385 20 5 CEBDHN COCCCN(CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000054364649 362532642 /nfs/dbraw/zinc/53/26/42/362532642.db2.gz HRTWCLYFCMFAMZ-UHFFFAOYSA-N 0 3 282.340 2.080 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000590692743 345161929 /nfs/dbraw/zinc/16/19/29/345161929.db2.gz NSKGDMGBDUWFFX-YPMHNXCESA-N 0 3 276.340 2.053 20 5 CEBDHN Cc1ccccc1C1(NCCn2ccc([N+](=O)[O-])n2)CC1 ZINC000592139820 345328721 /nfs/dbraw/zinc/32/87/21/345328721.db2.gz IXLIJEPZOTVAGG-UHFFFAOYSA-N 0 3 286.335 2.379 20 5 CEBDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000593514842 345501464 /nfs/dbraw/zinc/50/14/64/345501464.db2.gz BBJPKWOUNRHPOK-UHFFFAOYSA-N 0 3 296.346 2.238 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCC2(CO)CCC2)c1 ZINC000593692775 345522057 /nfs/dbraw/zinc/52/20/57/345522057.db2.gz DXSRQMVUPOOBDJ-UHFFFAOYSA-N 0 3 264.325 2.237 20 5 CEBDHN CCOc1cc(CN(C[C@@H](C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000594065129 345577019 /nfs/dbraw/zinc/57/70/19/345577019.db2.gz OSAOCIQOMFXZEV-LLVKDONJSA-N 0 3 294.351 2.339 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000594600476 345657062 /nfs/dbraw/zinc/65/70/62/345657062.db2.gz LJZOJOQEWRAYTC-OLZOCXBDSA-N 0 3 276.340 2.419 20 5 CEBDHN C[C@H](O)CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613152 345661793 /nfs/dbraw/zinc/66/17/93/345661793.db2.gz ABMDTWDMIOAGOZ-RNZFLTOJSA-N 0 3 276.336 2.453 20 5 CEBDHN COCC1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594516668 345642286 /nfs/dbraw/zinc/64/22/86/345642286.db2.gz YPNXHWFVBRMUNO-UHFFFAOYSA-N 0 3 268.288 2.250 20 5 CEBDHN CCC(C)(C)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000594594218 345654012 /nfs/dbraw/zinc/65/40/12/345654012.db2.gz MAMYIPXMIDGTBV-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594708831 345675693 /nfs/dbraw/zinc/67/56/93/345675693.db2.gz CBILISHKIUSSAI-YWPYICTPSA-N 0 3 294.351 2.297 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C1(CO)CC1 ZINC000595068074 345739029 /nfs/dbraw/zinc/73/90/29/345739029.db2.gz ODLMRXYGRYACGX-QWRGUYRKSA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2cnn3c2CCC3)c1 ZINC000594935613 345708916 /nfs/dbraw/zinc/70/89/16/345708916.db2.gz IZHXNCFFWVIVRK-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN Cc1nnsc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000602580359 347087348 /nfs/dbraw/zinc/08/73/48/347087348.db2.gz MLZDFEVNSDJSNW-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C1CCC1 ZINC000594957815 345716638 /nfs/dbraw/zinc/71/66/38/345716638.db2.gz UZGWZXYQIFVULS-CQSZACIVSA-N 0 3 264.325 2.154 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)CCO ZINC000595029773 345730791 /nfs/dbraw/zinc/73/07/91/345730791.db2.gz YJEAUMWSVIGUKO-WDEREUQCSA-N 0 3 282.340 2.273 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1cn[nH]c1 ZINC000595051637 345735401 /nfs/dbraw/zinc/73/54/01/345735401.db2.gz QKWHROYFHWKKQE-SNVBAGLBSA-N 0 3 290.323 2.220 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)C1CCC1 ZINC000595056956 345736257 /nfs/dbraw/zinc/73/62/57/345736257.db2.gz UNOIJCXIORVZCX-HZMBPMFUSA-N 0 3 294.351 2.415 20 5 CEBDHN CO[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595061584 345737368 /nfs/dbraw/zinc/73/73/68/345737368.db2.gz RVHIQFKQRZNNFX-UXIGCNINSA-N 0 3 294.351 2.297 20 5 CEBDHN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000595407147 345775424 /nfs/dbraw/zinc/77/54/24/345775424.db2.gz HYTBEXRJQJIEFS-QWRGUYRKSA-N 0 3 281.331 2.258 20 5 CEBDHN COC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595433446 345781454 /nfs/dbraw/zinc/78/14/54/345781454.db2.gz WPGJJOQUVWMZDU-GFCCVEGCSA-N 0 3 270.304 2.495 20 5 CEBDHN C[C@@]12COC[C@]1(C)CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595687474 345848631 /nfs/dbraw/zinc/84/86/31/345848631.db2.gz ANCUTWNQAXJCCP-GASCZTMLSA-N 0 3 276.336 2.453 20 5 CEBDHN CCOc1cc(CN[C@@H](CO)C2CCC2)ccc1[N+](=O)[O-] ZINC000595613719 345828160 /nfs/dbraw/zinc/82/81/60/345828160.db2.gz AIMUOLWLGPULII-ZDUSSCGKSA-N 0 3 294.351 2.244 20 5 CEBDHN COc1cc(CNCCc2cccc([N+](=O)[O-])c2)sn1 ZINC000602581585 347087971 /nfs/dbraw/zinc/08/79/71/347087971.db2.gz UWQYOPNIDHXMTE-UHFFFAOYSA-N 0 3 293.348 2.392 20 5 CEBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H]3C2)c2c(c1)COCO2 ZINC000595809035 345880734 /nfs/dbraw/zinc/88/07/34/345880734.db2.gz RFRZXEBLIQEOEU-GHMZBOCLSA-N 0 3 290.319 2.303 20 5 CEBDHN CC(C)[NH+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596054302 345929195 /nfs/dbraw/zinc/92/91/95/345929195.db2.gz CZBXJZWZNNHINQ-UHFFFAOYSA-N 0 3 282.344 2.226 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC3CC2(c2ccccc2)C3)n1 ZINC000595911102 345911470 /nfs/dbraw/zinc/91/14/70/345911470.db2.gz MWXRBVYYFWICJR-UHFFFAOYSA-N 0 3 298.346 2.412 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCN1C(C)(C)C ZINC000596309898 345996546 /nfs/dbraw/zinc/99/65/46/345996546.db2.gz ZSSHAKZNQJAHBP-LLVKDONJSA-N 0 3 295.387 2.404 20 5 CEBDHN C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596488844 346036732 /nfs/dbraw/zinc/03/67/32/346036732.db2.gz SFDSJIPLVOARQP-NSHDSACASA-N 0 3 294.355 2.228 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)C(O)[C@H](C)C1 ZINC000597206443 346148095 /nfs/dbraw/zinc/14/80/95/346148095.db2.gz ROVGWAVEVCJLPK-VXGBXAGGSA-N 0 3 278.352 2.352 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC)C1 ZINC000598040479 346274054 /nfs/dbraw/zinc/27/40/54/346274054.db2.gz GCMDHXCGNSYUIG-CQSZACIVSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@@H](CCO)CCNCc1csc([N+](=O)[O-])c1 ZINC000295145647 199371351 /nfs/dbraw/zinc/37/13/51/199371351.db2.gz QLTMPXCHHNURCS-SECBINFHSA-N 0 3 258.343 2.155 20 5 CEBDHN COC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000062161051 362713799 /nfs/dbraw/zinc/71/37/99/362713799.db2.gz XIZKGWBLLFYQLG-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H](O)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065493 346454333 /nfs/dbraw/zinc/45/43/33/346454333.db2.gz LULRIDBPZCBDTL-CQDKDKBSSA-N 0 3 294.351 2.094 20 5 CEBDHN CO[C@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599093646 346459250 /nfs/dbraw/zinc/45/92/50/346459250.db2.gz UOLLAGNAIJAQIJ-GIPNMCIBSA-N 0 3 262.309 2.349 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNCC[C@@H]3CCOC3)nc2c1 ZINC000602606494 347098213 /nfs/dbraw/zinc/09/82/13/347098213.db2.gz FRGIROZWEJGMOR-SNVBAGLBSA-N 0 3 291.307 2.252 20 5 CEBDHN CCC[C@H](NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712227 346675890 /nfs/dbraw/zinc/67/58/90/346675890.db2.gz UZUSYJKSYFQIAL-HIFRSBDPSA-N 0 3 293.367 2.014 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2cccc([C@H]3CNCCO3)c2)cn1 ZINC000600787977 346690645 /nfs/dbraw/zinc/69/06/45/346690645.db2.gz BHKVHAWCWOKCLR-CQSZACIVSA-N 0 3 285.303 2.318 20 5 CEBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129331672 365847629 /nfs/dbraw/zinc/84/76/29/365847629.db2.gz WONIJSKHFRHKHI-XDTLVQLUSA-N 0 3 264.325 2.405 20 5 CEBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000602770080 347191244 /nfs/dbraw/zinc/19/12/44/347191244.db2.gz VCZCUPOLDNLLRW-SNVBAGLBSA-N 0 3 254.334 2.195 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]2CCC[C@@H]21 ZINC000602787600 347198319 /nfs/dbraw/zinc/19/83/19/347198319.db2.gz ZOUXSJVIQGRVGQ-STQMWFEESA-N 0 3 278.356 2.364 20 5 CEBDHN CC[C@@H]1CC[C@@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801123 347205190 /nfs/dbraw/zinc/20/51/90/347205190.db2.gz ZZVMGRRNCHCMGV-MWLCHTKSSA-N 0 3 252.318 2.091 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C(C)(C)C1 ZINC000602809230 347208225 /nfs/dbraw/zinc/20/82/25/347208225.db2.gz OWZHGCIWWUEMFV-NSHDSACASA-N 0 3 280.372 2.468 20 5 CEBDHN COCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350041 362785360 /nfs/dbraw/zinc/78/53/60/362785360.db2.gz YFIIWSKHXCLMBH-UHFFFAOYSA-N 0 3 252.314 2.452 20 5 CEBDHN CC[C@@H]1CC[C@@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602897645 347240929 /nfs/dbraw/zinc/24/09/29/347240929.db2.gz ADICSHSAJPXBLM-GHMZBOCLSA-N 0 3 266.345 2.339 20 5 CEBDHN CC[C@]1(O)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602982384 347265983 /nfs/dbraw/zinc/26/59/83/347265983.db2.gz RUZHSCRFVQREMW-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN C[C@@H](NCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420507 347679894 /nfs/dbraw/zinc/67/98/94/347679894.db2.gz CWRXTCOJSQNTEL-OLZOCXBDSA-N 0 3 294.351 2.299 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C3CCCC2CCC3)n1 ZINC000610486573 347684526 /nfs/dbraw/zinc/68/45/26/347684526.db2.gz RWTOPODCPVZYBL-UHFFFAOYSA-N 0 3 264.329 2.198 20 5 CEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610514944 347688003 /nfs/dbraw/zinc/68/80/03/347688003.db2.gz OAOXDSKNDBVWBE-NSHDSACASA-N 0 3 298.412 2.094 20 5 CEBDHN CCN(CC)CCSc1cccnc1[N+](=O)[O-] ZINC000610575856 347692638 /nfs/dbraw/zinc/69/26/38/347692638.db2.gz DAYCIGCFTZMLNO-UHFFFAOYSA-N 0 3 255.343 2.424 20 5 CEBDHN Cc1nc(N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000610754966 347711616 /nfs/dbraw/zinc/71/16/16/347711616.db2.gz SYAMOJMKFDIDCY-GFCCVEGCSA-N 0 3 276.340 2.194 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCOC1 ZINC000611337216 347767529 /nfs/dbraw/zinc/76/75/29/347767529.db2.gz IUGTYAASWXDPCR-MNOVXSKESA-N 0 3 250.298 2.343 20 5 CEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000271284849 191050275 /nfs/dbraw/zinc/05/02/75/191050275.db2.gz CYRVOVUGOOMFDL-KGLIPLIRSA-N 0 3 295.408 2.385 20 5 CEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000271284851 191050911 /nfs/dbraw/zinc/05/09/11/191050911.db2.gz CYRVOVUGOOMFDL-UONOGXRCSA-N 0 3 295.408 2.385 20 5 CEBDHN CCc1nn(C)c(N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000091560447 180191618 /nfs/dbraw/zinc/19/16/18/180191618.db2.gz CQGSGEKSRFLDMY-NSHDSACASA-N 0 3 295.387 2.177 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091673270 180223935 /nfs/dbraw/zinc/22/39/35/180223935.db2.gz INULGBFYWMMHOB-VXGBXAGGSA-N 0 3 295.314 2.009 20 5 CEBDHN CN1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000108433498 186216136 /nfs/dbraw/zinc/21/61/36/186216136.db2.gz ILWHOGPYUMIGKA-NSHDSACASA-N 0 3 292.339 2.058 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1 ZINC000271449118 191144664 /nfs/dbraw/zinc/14/46/64/191144664.db2.gz RPIMOYZVHDLCEU-AWEZNQCLSA-N 0 3 292.335 2.370 20 5 CEBDHN CC(C)OC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713355 191287280 /nfs/dbraw/zinc/28/72/80/191287280.db2.gz JMUNHFDEPNHMGN-NWDGAFQWSA-N 0 3 282.340 2.031 20 5 CEBDHN CC(C)OC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713358 191286599 /nfs/dbraw/zinc/28/65/99/191286599.db2.gz JMUNHFDEPNHMGN-RYUDHWBXSA-N 0 3 282.340 2.031 20 5 CEBDHN C[C@@H](Cn1ccnc1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743055 299216783 /nfs/dbraw/zinc/21/67/83/299216783.db2.gz FNJKJTHCRVLLFE-SMDDNHRTSA-N 0 3 286.335 2.457 20 5 CEBDHN CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451553429 283032683 /nfs/dbraw/zinc/03/26/83/283032683.db2.gz YQSSFYCTWUQNJI-DOMZBBRYSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000133496333 366229574 /nfs/dbraw/zinc/22/95/74/366229574.db2.gz MIFSCERBTSJQHQ-QWRGUYRKSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@H]1CCC(C)(C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000452001066 283158951 /nfs/dbraw/zinc/15/89/51/283158951.db2.gz CJKGGMBJRYWZKB-JTQLQIEISA-N 0 3 291.351 2.457 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@H](O)C1 ZINC000452069667 283176660 /nfs/dbraw/zinc/17/66/60/283176660.db2.gz QJJVSPVYBMPBLT-UTUOFQBUSA-N 0 3 264.325 2.359 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000338343970 366306615 /nfs/dbraw/zinc/30/66/15/366306615.db2.gz CUHXLVDODNUWRI-AWEZNQCLSA-N 0 3 264.325 2.248 20 5 CEBDHN CCCN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCCO1 ZINC000176235757 283269167 /nfs/dbraw/zinc/26/91/67/283269167.db2.gz JSBUSZXIJWBRPX-CYBMUJFWSA-N 0 3 296.371 2.072 20 5 CEBDHN C[C@H](NCc1ccn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294772474 199175323 /nfs/dbraw/zinc/17/53/23/199175323.db2.gz NGMIBBINBCHKFJ-JTQLQIEISA-N 0 3 274.324 2.366 20 5 CEBDHN C[C@H]1CCC[C@@H](CO)N1Cc1cccc([N+](=O)[O-])c1 ZINC000136166288 366500571 /nfs/dbraw/zinc/50/05/71/366500571.db2.gz GMMTWNLWFKGLKV-FZMZJTMJSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1nc(NC[C@@H]2CCCCN2C2CC2)ncc1[N+](=O)[O-] ZINC000296818930 200006847 /nfs/dbraw/zinc/00/68/47/200006847.db2.gz QRLNBODFICFEDE-LBPRGKRZSA-N 0 3 291.355 2.122 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(CC(F)F)C1 ZINC000418133787 237314915 /nfs/dbraw/zinc/31/49/15/237314915.db2.gz LHRIJCNLWPVYRL-GFCCVEGCSA-N 0 3 299.321 2.332 20 5 CEBDHN CC[C@H](NCC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243707 283507910 /nfs/dbraw/zinc/50/79/10/283507910.db2.gz AEECNTVTLNUWAF-LSDHHAIUSA-N 0 3 296.367 2.423 20 5 CEBDHN CC[C@@H]1CN(CC)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000579555059 366662114 /nfs/dbraw/zinc/66/21/14/366662114.db2.gz OHYABGFASRNHAH-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177056882 189024638 /nfs/dbraw/zinc/02/46/38/189024638.db2.gz ZYDCZLCXFSVWRV-PSASIEDQSA-N 0 3 295.364 2.011 20 5 CEBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCOC1 ZINC000177211048 189036785 /nfs/dbraw/zinc/03/67/85/189036785.db2.gz ZEHJYBVGRDNFMW-JTQLQIEISA-N 0 3 291.307 2.204 20 5 CEBDHN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000352998372 219784538 /nfs/dbraw/zinc/78/45/38/219784538.db2.gz RCYKHIDWMWGSQD-UHFFFAOYSA-N 0 3 292.335 2.479 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCOC1 ZINC000178358549 189109818 /nfs/dbraw/zinc/10/98/18/189109818.db2.gz YAHXMCDMLXWRSD-NSHDSACASA-N 0 3 280.324 2.072 20 5 CEBDHN C[C@@H](NCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446544 189256138 /nfs/dbraw/zinc/25/61/38/189256138.db2.gz OBICHUPJTQZZFM-GHMZBOCLSA-N 0 3 278.308 2.199 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000180620008 189265840 /nfs/dbraw/zinc/26/58/40/189265840.db2.gz ULOVGQPOZCRRFA-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN(CCCCO)C1CC1 ZINC000152527617 366701149 /nfs/dbraw/zinc/70/11/49/366701149.db2.gz RSPXKYJUTQMICA-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN CN(C)CCSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153935011 366747200 /nfs/dbraw/zinc/74/72/00/366747200.db2.gz ZNRBKOVZUSCWPT-UHFFFAOYSA-N 0 3 261.734 2.297 20 5 CEBDHN CNC(=O)CCCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182929333 189340210 /nfs/dbraw/zinc/34/02/10/189340210.db2.gz FWEYGLHWFGWBPL-LBPRGKRZSA-N 0 3 293.367 2.422 20 5 CEBDHN COC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000086699646 363837238 /nfs/dbraw/zinc/83/72/38/363837238.db2.gz QNMPSBNWDKAXRV-LBPRGKRZSA-N 0 3 282.340 2.364 20 5 CEBDHN CN(CCOCC1CC1)CCOc1ccccc1[N+](=O)[O-] ZINC000088599029 363911113 /nfs/dbraw/zinc/91/11/13/363911113.db2.gz LRDINZSXLBOJPS-UHFFFAOYSA-N 0 3 294.351 2.332 20 5 CEBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000092966320 364126014 /nfs/dbraw/zinc/12/60/14/364126014.db2.gz BSROEGCFJJKIJR-UHFFFAOYSA-N 0 3 272.732 2.451 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)C2(N)CCCC2)cc1[N+](=O)[O-] ZINC000237549997 370732318 /nfs/dbraw/zinc/73/23/18/370732318.db2.gz KJHSJJBAWDILGL-NSHDSACASA-N 0 3 291.351 2.352 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(N)=O)C1 ZINC000245411274 370816478 /nfs/dbraw/zinc/81/64/78/370816478.db2.gz WCKOBEMJSZIKSK-RYUDHWBXSA-N 0 3 291.351 2.243 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C(C)(C)O ZINC000159162303 366883409 /nfs/dbraw/zinc/88/34/09/366883409.db2.gz HQTJTRHZFMUHMU-CQSZACIVSA-N 0 3 294.351 2.339 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341072452 367158962 /nfs/dbraw/zinc/15/89/62/367158962.db2.gz SXWLYHJHADQGRU-GHMZBOCLSA-N 0 3 295.339 2.181 20 5 CEBDHN CO[C@H]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000341288199 367269920 /nfs/dbraw/zinc/26/99/20/367269920.db2.gz ZRMSIMZIHPAXKG-OCCSQVGLSA-N 0 3 264.325 2.500 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)C1CCC1 ZINC000275912824 193162159 /nfs/dbraw/zinc/16/21/59/193162159.db2.gz FNQDXPNRAUYZQA-GQCTYLIASA-N 0 3 276.336 2.455 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(=O)N1 ZINC000353283043 220007737 /nfs/dbraw/zinc/00/77/37/220007737.db2.gz OMCUKZGEBAFOSI-CYBMUJFWSA-N 0 3 291.351 2.084 20 5 CEBDHN CCOCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244828 368000845 /nfs/dbraw/zinc/00/08/45/368000845.db2.gz GGIDLJJHIMFADO-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656081 368480313 /nfs/dbraw/zinc/48/03/13/368480313.db2.gz BHIPNJJCCDORSU-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN C/C=C/C[C@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000185810020 368865172 /nfs/dbraw/zinc/86/51/72/368865172.db2.gz FCVPMIARAWIOHI-ITDFMYJTSA-N 0 3 264.325 2.320 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCC[C@@H]1O ZINC000348547310 369083720 /nfs/dbraw/zinc/08/37/20/369083720.db2.gz OLMPFFDIHXPOPE-KBPBESRZSA-N 0 3 264.325 2.248 20 5 CEBDHN CC(C)OCC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883645 369437267 /nfs/dbraw/zinc/43/72/67/369437267.db2.gz OTGQSYCVSLVQOI-OLZOCXBDSA-N 0 3 296.367 2.421 20 5 CEBDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914998 203385513 /nfs/dbraw/zinc/38/55/13/203385513.db2.gz TYOFYFLDNVQKIX-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN CN1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352350860 369684421 /nfs/dbraw/zinc/68/44/21/369684421.db2.gz QODBNHLTYBAKQM-LBPRGKRZSA-N 0 3 286.335 2.071 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CO)C(C)C ZINC000352892652 369937575 /nfs/dbraw/zinc/93/75/75/369937575.db2.gz LLOLZOSAFMXVJC-AWEZNQCLSA-N 0 3 282.340 2.100 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)C1CC1 ZINC000353099951 370018902 /nfs/dbraw/zinc/01/89/02/370018902.db2.gz YMAWSQUWOQETOT-ZDUSSCGKSA-N 0 3 294.351 2.102 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000194559241 370051919 /nfs/dbraw/zinc/05/19/19/370051919.db2.gz AKSZNLMVMGGQIG-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN CCOc1cc(N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000212725034 370166086 /nfs/dbraw/zinc/16/60/86/370166086.db2.gz WDOHEMARRFNTNU-UHFFFAOYSA-N 0 3 279.340 2.182 20 5 CEBDHN Cc1ccc(CNC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000221151007 370236255 /nfs/dbraw/zinc/23/62/55/370236255.db2.gz TXAKKWWNEATMGG-CYBMUJFWSA-N 0 3 263.341 2.087 20 5 CEBDHN Cc1c(CN[C@@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303220 371003193 /nfs/dbraw/zinc/00/31/93/371003193.db2.gz AVDANHJGBWNWBP-XHDPSFHLSA-N 0 3 289.379 2.476 20 5 CEBDHN C[C@H](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N(C)C ZINC000358765248 371210930 /nfs/dbraw/zinc/21/09/30/371210930.db2.gz FBJKODDAIJOYTP-LLVKDONJSA-N 0 3 274.324 2.408 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248885892 371263777 /nfs/dbraw/zinc/26/37/77/371263777.db2.gz SCYJORMLNFLHEV-WDEREUQCSA-N 0 3 280.324 2.397 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252544736 371455460 /nfs/dbraw/zinc/45/54/60/371455460.db2.gz INULGBFYWMMHOB-RYUDHWBXSA-N 0 3 295.314 2.009 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000361063547 371628205 /nfs/dbraw/zinc/62/82/05/371628205.db2.gz SAMANRPVISJYDK-GXSJLCMTSA-N 0 3 293.371 2.157 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361587219 371953255 /nfs/dbraw/zinc/95/32/55/371953255.db2.gz JIRAMHSVBMCBCF-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H](NCC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268936918 372294710 /nfs/dbraw/zinc/29/47/10/372294710.db2.gz RYQOAMYYKIKWCU-LLVKDONJSA-N 0 3 291.351 2.291 20 5 CEBDHN CCC1(CC)CN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000362245331 372283240 /nfs/dbraw/zinc/28/32/40/372283240.db2.gz JJLMHRHMHCKVGL-UHFFFAOYSA-N 0 3 298.412 2.399 20 5 CEBDHN COc1ccc(CNC[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344386816 217177727 /nfs/dbraw/zinc/17/77/27/217177727.db2.gz SKBLCTOONYMMMU-AWEZNQCLSA-N 0 3 280.324 2.120 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000353419241 220074180 /nfs/dbraw/zinc/07/41/80/220074180.db2.gz BOWIUSPMQLMXOY-AGLBCWCQSA-N 0 3 262.309 2.329 20 5 CEBDHN Cc1ccc(NC(=O)C23CCCN2CCC3)cc1[N+](=O)[O-] ZINC000365984361 372974093 /nfs/dbraw/zinc/97/40/93/372974093.db2.gz ADFFEFWFHHIREN-UHFFFAOYSA-N 0 3 289.335 2.470 20 5 CEBDHN COCCCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369011987 373314736 /nfs/dbraw/zinc/31/47/36/373314736.db2.gz WAWABOFBEZGOKY-CYBMUJFWSA-N 0 3 296.371 2.245 20 5 CEBDHN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272829795 373672063 /nfs/dbraw/zinc/67/20/63/373672063.db2.gz YGVVLQKJENPXCO-VIFPVBQESA-N 0 3 295.364 2.037 20 5 CEBDHN C[C@@H](NCCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000274425450 373918386 /nfs/dbraw/zinc/91/83/86/373918386.db2.gz FTIGMAQAOOBGQB-SNVBAGLBSA-N 0 3 266.297 2.008 20 5 CEBDHN Cc1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000373320128 374326480 /nfs/dbraw/zinc/32/64/80/374326480.db2.gz PNMAGJJVJXIEPF-HNNXBMFYSA-N 0 3 276.336 2.250 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000385756075 375242071 /nfs/dbraw/zinc/24/20/71/375242071.db2.gz WZMDEJSYNAHOKP-ZIAGYGMSSA-N 0 3 278.352 2.496 20 5 CEBDHN C[S@@](=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000282287676 375447902 /nfs/dbraw/zinc/44/79/02/375447902.db2.gz IRKGNMPSPXHBRS-PEAOBZDDSA-N 0 3 294.376 2.109 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1(O)CCC1 ZINC000283948127 375786255 /nfs/dbraw/zinc/78/62/55/375786255.db2.gz KACFVOXAXPHXGK-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1=CCN(C)CC1 ZINC000286446146 375955056 /nfs/dbraw/zinc/95/50/56/375955056.db2.gz JCIYCUIUKHBLAJ-UHFFFAOYSA-N 0 3 289.335 2.471 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2CCO)cc1F ZINC000286383037 375934288 /nfs/dbraw/zinc/93/42/88/375934288.db2.gz ZEZMUPFGKRDPDA-DGCLKSJQSA-N 0 3 282.315 2.375 20 5 CEBDHN CCOc1ccc([C@@H](C)NCCN(C)C)cc1[N+](=O)[O-] ZINC000287156150 376162756 /nfs/dbraw/zinc/16/27/56/376162756.db2.gz SYUSZUBNTPBRJT-LLVKDONJSA-N 0 3 281.356 2.206 20 5 CEBDHN CN1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000287649860 376284770 /nfs/dbraw/zinc/28/47/70/376284770.db2.gz CBILRYQMMGODOO-VIFPVBQESA-N 0 3 253.277 2.098 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCC[C@H]1O ZINC000289695435 376450008 /nfs/dbraw/zinc/45/00/08/376450008.db2.gz OLMPFFDIHXPOPE-ZIAGYGMSSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1 ZINC000420207628 376614775 /nfs/dbraw/zinc/61/47/75/376614775.db2.gz QKISWRBZVNOJAH-GFCCVEGCSA-N 0 3 298.346 2.455 20 5 CEBDHN CO[C@@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311809020 376686925 /nfs/dbraw/zinc/68/69/25/376686925.db2.gz AUXUFNBMJMFHEM-ZYHUDNBSSA-N 0 3 268.288 2.391 20 5 CEBDHN CCC[C@@H](NC[C@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323436 376797418 /nfs/dbraw/zinc/79/74/18/376797418.db2.gz MHAHCBZYYAPQIY-LSDHHAIUSA-N 0 3 296.367 2.423 20 5 CEBDHN CC1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000562340126 376870387 /nfs/dbraw/zinc/87/03/87/376870387.db2.gz BBEJDBYCCMMJEZ-NSHDSACASA-N 0 3 276.340 2.276 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(N)=O ZINC000330526461 377170901 /nfs/dbraw/zinc/17/09/01/377170901.db2.gz CWKGOGGLDKRQGC-BXKDBHETSA-N 0 3 263.297 2.198 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000423278651 377206133 /nfs/dbraw/zinc/20/61/33/377206133.db2.gz PZJDPWXVOSHVJG-YGRLFVJLSA-N 0 3 291.351 2.208 20 5 CEBDHN C[C@@H]1CCC[C@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000292924921 377353702 /nfs/dbraw/zinc/35/37/02/377353702.db2.gz GNKIDEZUMJPVEC-RISCZKNCSA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293490110 377590955 /nfs/dbraw/zinc/59/09/55/377590955.db2.gz SSMAHMFVRQZDRU-GHMZBOCLSA-N 0 3 250.298 2.314 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000293784945 377756813 /nfs/dbraw/zinc/75/68/13/377756813.db2.gz QGPJEDSARBBLEL-GFCCVEGCSA-N 0 3 250.298 2.252 20 5 CEBDHN CC[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112595 377909433 /nfs/dbraw/zinc/90/94/33/377909433.db2.gz KDDVDQHZQCYFGN-MWLCHTKSSA-N 0 3 267.329 2.253 20 5 CEBDHN C[C@@H](N[C@@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294320019 377979222 /nfs/dbraw/zinc/97/92/22/377979222.db2.gz OHPKBNZXUADGNG-ZWNOBZJWSA-N 0 3 293.367 2.379 20 5 CEBDHN CCCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000295618579 378238637 /nfs/dbraw/zinc/23/86/37/378238637.db2.gz GTNYDEQULPTUNZ-SNVBAGLBSA-N 0 3 265.313 2.230 20 5 CEBDHN Cc1ccc([C@@H](O)CNCc2cccc([N+](=O)[O-])c2)o1 ZINC000266059420 190227187 /nfs/dbraw/zinc/22/71/87/190227187.db2.gz WBHLAMQSAKMPBC-ZDUSSCGKSA-N 0 3 276.292 2.319 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000296311014 378486803 /nfs/dbraw/zinc/48/68/03/378486803.db2.gz GPFQFPGRUMMALS-CKYFFXLPSA-N 0 3 280.324 2.259 20 5 CEBDHN Cc1cnc(N(C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450953437 378659247 /nfs/dbraw/zinc/65/92/47/378659247.db2.gz KXPQWHCXPGJABS-LBPRGKRZSA-N 0 3 278.356 2.217 20 5 CEBDHN COC[C@](C)(O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264595 378847910 /nfs/dbraw/zinc/84/79/10/378847910.db2.gz WGUIMMXQPAWDGY-IUODEOHRSA-N 0 3 296.367 2.341 20 5 CEBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000278656756 194087069 /nfs/dbraw/zinc/08/70/69/194087069.db2.gz JYIPJOCHQQFMIU-QMMMGPOBSA-N 0 3 260.297 2.359 20 5 CEBDHN COc1ccc(OCCN2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266504237 190261831 /nfs/dbraw/zinc/26/18/31/190261831.db2.gz BJUJMSWNBVHPHQ-NSHDSACASA-N 0 3 280.324 2.324 20 5 CEBDHN CNC(=O)[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266541578 190265641 /nfs/dbraw/zinc/26/56/41/190265641.db2.gz QGTYQJMHSDIPHD-NWDGAFQWSA-N 0 3 291.351 2.114 20 5 CEBDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000304040782 379516297 /nfs/dbraw/zinc/51/62/97/379516297.db2.gz IPGIYHLMEZTSCR-BXUZGUMPSA-N 0 3 266.341 2.482 20 5 CEBDHN CCN1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267008234 190296912 /nfs/dbraw/zinc/29/69/12/190296912.db2.gz GOVYCCMBHQFDEN-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457083384 379657394 /nfs/dbraw/zinc/65/73/94/379657394.db2.gz JZVQZQYJOTWMIU-CQSZACIVSA-N 0 3 291.351 2.150 20 5 CEBDHN CO[C@]1(C)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235347 194345187 /nfs/dbraw/zinc/34/51/87/194345187.db2.gz FFSIAEVOWHYFQR-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN COCCOCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192734085 533086580 /nfs/dbraw/zinc/08/65/80/533086580.db2.gz NDHDXJXDYNMYFD-OAHLLOKOSA-N 0 3 294.351 2.225 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCCC2)s1 ZINC000192538751 285173850 /nfs/dbraw/zinc/17/38/50/285173850.db2.gz HWXURGKXFRVCEO-JTQLQIEISA-N 0 3 282.369 2.116 20 5 CEBDHN COCC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382300 285181878 /nfs/dbraw/zinc/18/18/78/285181878.db2.gz JIQYPQQBHXEQIU-FZMZJTMJSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@H]1CCO ZINC000189972508 130046620 /nfs/dbraw/zinc/04/66/20/130046620.db2.gz STTZAENGJWMWBF-AAEUAGOBSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1c(C(=O)N2CCC[C@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000263906478 131357942 /nfs/dbraw/zinc/35/79/42/131357942.db2.gz HELCUMSSCQVZHG-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1=CCN(C)CC1 ZINC000413231569 394509025 /nfs/dbraw/zinc/50/90/25/394509025.db2.gz BRKVYIMFYGKFON-SECBINFHSA-N 0 3 280.303 2.191 20 5 CEBDHN Cc1cc(N2CCN(C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791007 394615606 /nfs/dbraw/zinc/61/56/06/394615606.db2.gz IFFOAQGCFBDGJD-RYUDHWBXSA-N 0 3 263.341 2.432 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000361163639 394819040 /nfs/dbraw/zinc/81/90/40/394819040.db2.gz BMGVPXNSLYUTJE-OLZOCXBDSA-N 0 3 277.368 2.428 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOC[C@@H]1C ZINC000430232008 395164076 /nfs/dbraw/zinc/16/40/76/395164076.db2.gz DXHHLOVUANEJOQ-GXFFZTMASA-N 0 3 280.324 2.118 20 5 CEBDHN COc1cc(NCC2(N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000419010547 395245971 /nfs/dbraw/zinc/24/59/71/395245971.db2.gz QGQQDHFZIWLDMR-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN C[C@@H](NCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184528912 395274088 /nfs/dbraw/zinc/27/40/88/395274088.db2.gz GIHAPWSOXCGVNP-LLVKDONJSA-N 0 3 264.325 2.408 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCNC[C@](C)(F)C1 ZINC000420328044 395329717 /nfs/dbraw/zinc/32/97/17/395329717.db2.gz HALWOWMPBYTMAJ-FZMZJTMJSA-N 0 3 281.331 2.289 20 5 CEBDHN CCCCN(C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446051180 395479365 /nfs/dbraw/zinc/47/93/65/395479365.db2.gz IVZSZZSIYNTEJQ-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051835 292196480 /nfs/dbraw/zinc/19/64/80/292196480.db2.gz VXDQKSZQKKLZRK-NWDGAFQWSA-N 0 3 289.339 2.234 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237646936 297113103 /nfs/dbraw/zinc/11/31/03/297113103.db2.gz SNGMSDVFVZWCPK-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1cccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000227537416 153348462 /nfs/dbraw/zinc/34/84/62/153348462.db2.gz OVPUFXASCGFJRI-CHWSQXEVSA-N 0 3 291.351 2.178 20 5 CEBDHN CO[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829886 153350211 /nfs/dbraw/zinc/35/02/11/153350211.db2.gz KDOYXAHLIVMFCR-STQMWFEESA-N 0 3 264.325 2.498 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3)C2)n1 ZINC000378160316 292286502 /nfs/dbraw/zinc/28/65/02/292286502.db2.gz IXGQCEZYBDGSPY-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CSCC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303302 286670284 /nfs/dbraw/zinc/67/02/84/286670284.db2.gz QMCCVIUGKUHZOS-PWSUYJOCSA-N 0 3 284.381 2.359 20 5 CEBDHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000226439158 287060732 /nfs/dbraw/zinc/06/07/32/287060732.db2.gz KYRCECLEBXAOLL-CKYFFXLPSA-N 0 3 250.298 2.423 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173562223 165074371 /nfs/dbraw/zinc/07/43/71/165074371.db2.gz ZCHIFNJARZKJHE-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000285265527 196236714 /nfs/dbraw/zinc/23/67/14/196236714.db2.gz IFQKFQQEVXHBSJ-CYBMUJFWSA-N 0 3 264.325 2.248 20 5 CEBDHN COC(=O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037394486 173174382 /nfs/dbraw/zinc/17/43/82/173174382.db2.gz DLDCPOVPLVWKAL-SNVBAGLBSA-N 0 3 266.297 2.199 20 5 CEBDHN CC(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000044898387 175273902 /nfs/dbraw/zinc/27/39/02/175273902.db2.gz SVJMWZYKDWMJGC-UHFFFAOYSA-N 0 3 291.351 2.314 20 5 CEBDHN CN1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000076989374 177139860 /nfs/dbraw/zinc/13/98/60/177139860.db2.gz XMOLXGCKWDVYPC-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN COc1ccc(CNCCCOC(F)F)cc1[N+](=O)[O-] ZINC000193663368 270287949 /nfs/dbraw/zinc/28/79/49/270287949.db2.gz IPNIEOHYORWZCQ-UHFFFAOYSA-N 0 3 290.266 2.322 20 5 CEBDHN Cc1ccc(CN2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194064204 270292338 /nfs/dbraw/zinc/29/23/38/270292338.db2.gz JVXWXLDWETVWDS-UHFFFAOYSA-N 0 3 289.379 2.431 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000395157351 270345615 /nfs/dbraw/zinc/34/56/15/270345615.db2.gz CJGGVNGGPSVOQJ-OCCSQVGLSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)C1 ZINC000430211271 271363288 /nfs/dbraw/zinc/36/32/88/271363288.db2.gz XJKOCYHJBWILNH-SNVBAGLBSA-N 0 3 250.298 2.445 20 5 CEBDHN CC[C@@H](C)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000296137919 273716384 /nfs/dbraw/zinc/71/63/84/273716384.db2.gz XAFHRHNJBMRELY-LLVKDONJSA-N 0 3 278.356 2.098 20 5 CEBDHN CC(C)(CO)[C@@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000339730864 275550065 /nfs/dbraw/zinc/55/00/65/275550065.db2.gz JXFNUNIOADZJCT-AWEZNQCLSA-N 0 3 278.352 2.482 20 5 CEBDHN CC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)OCCO1 ZINC000193065755 275897297 /nfs/dbraw/zinc/89/72/97/275897297.db2.gz UOZBYDLWSSWDEP-AWEZNQCLSA-N 0 3 292.335 2.325 20 5 CEBDHN CNC(=O)[C@@H](C)CN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245534495 277239787 /nfs/dbraw/zinc/23/97/87/277239787.db2.gz VZEMMVNZFXUZJC-RYUDHWBXSA-N 0 3 293.367 2.278 20 5 CEBDHN COC[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719701 277591255 /nfs/dbraw/zinc/59/12/55/277591255.db2.gz MCIMRLUEBFQNFB-ZFWWWQNUSA-N 0 3 294.351 2.223 20 5 CEBDHN C[C@@H](NCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000130798959 278340946 /nfs/dbraw/zinc/34/09/46/278340946.db2.gz TVWWCKTWAGKDSX-SNVBAGLBSA-N 0 3 250.298 2.160 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](CO)C1 ZINC000272285831 281021996 /nfs/dbraw/zinc/02/19/96/281021996.db2.gz GBYIJKSYMFOOKQ-RYUDHWBXSA-N 0 3 264.325 2.278 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)[C@H]1CCCO1 ZINC000447903141 281887923 /nfs/dbraw/zinc/88/79/23/281887923.db2.gz GRWUVMZTXWYNKV-TUKIKUTGSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1nc(N[C@H]2CN(C3CC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000471723226 290279650 /nfs/dbraw/zinc/27/96/50/290279650.db2.gz DGRWJYMZHNBYGO-SKDRFNHKSA-N 0 3 276.340 2.193 20 5 CEBDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967889 298127237 /nfs/dbraw/zinc/12/72/37/298127237.db2.gz GZHPAYRGTKVRCO-DOMZBBRYSA-N 0 3 294.351 2.441 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C[S@@](C)=O ZINC000543417825 298308106 /nfs/dbraw/zinc/30/81/06/298308106.db2.gz DFKQADIMVDRSEQ-RMDKCXRXSA-N 0 3 284.381 2.321 20 5 CEBDHN COCCOC[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820705 313752263 /nfs/dbraw/zinc/75/22/63/313752263.db2.gz KTVJFJHLXLJADP-BXUZGUMPSA-N 0 3 294.351 2.223 20 5 CEBDHN CCO[C@@H]1C[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000571368710 314085685 /nfs/dbraw/zinc/08/56/85/314085685.db2.gz XTUHJKPFQXQZEG-OJWNKBRNSA-N 0 3 262.309 2.375 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@]1(O)CCSC1 ZINC000580783375 322344109 /nfs/dbraw/zinc/34/41/09/322344109.db2.gz IIOOGLIHXZOAGA-TZMCWYRMSA-N 0 3 294.376 2.040 20 5 CEBDHN C/C=C/C[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185827188 518529913 /nfs/dbraw/zinc/52/99/13/518529913.db2.gz OVVNQWWXKIIAGI-PCAWENJQSA-N 0 3 280.324 2.020 20 5 CEBDHN CC(C)[C@@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452970 519792480 /nfs/dbraw/zinc/79/24/80/519792480.db2.gz OTZGRQZLDATXJE-RISCZKNCSA-N 0 3 291.351 2.334 20 5 CEBDHN C[C@@H]1C[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082026 574450146 /nfs/dbraw/zinc/45/01/46/574450146.db2.gz QAGAEXBOBDOTSZ-UHIISALHSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1ncccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731677986 574601406 /nfs/dbraw/zinc/60/14/06/574601406.db2.gz DMQUCQMEIIHEFF-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1cccc([C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813101819 623018982 /nfs/dbraw/zinc/01/89/82/623018982.db2.gz JJGRQYHOAKMPQH-MNOVXSKESA-N 0 3 251.282 2.307 20 5 CEBDHN Cc1cccc([C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813101820 623019461 /nfs/dbraw/zinc/01/94/61/623019461.db2.gz JJGRQYHOAKMPQH-QWRGUYRKSA-N 0 3 251.282 2.307 20 5 CEBDHN CS[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813107109 623027049 /nfs/dbraw/zinc/02/70/49/623027049.db2.gz JWDZLSVHDJQRNR-GXSJLCMTSA-N 0 3 269.322 2.299 20 5 CEBDHN CC(COC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]1C)[N+](=O)[O-] ZINC000813111636 623048446 /nfs/dbraw/zinc/04/84/46/623048446.db2.gz JJXBREZAUKBAQI-URBCHYCLSA-N 0 3 263.293 2.245 20 5 CEBDHN CC(COC(=O)c1ccccc1OC1CC1)[N+](=O)[O-] ZINC000813113128 623061213 /nfs/dbraw/zinc/06/12/13/623061213.db2.gz BKZWOKSHQSTGAQ-SECBINFHSA-N 0 3 265.265 2.050 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C1CC1 ZINC000813115514 623083768 /nfs/dbraw/zinc/08/37/68/623083768.db2.gz UIUWEADFRHFJIJ-VIFPVBQESA-N 0 3 279.292 2.395 20 5 CEBDHN CO[C@@H]1CCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000050373026 623404040 /nfs/dbraw/zinc/40/40/40/623404040.db2.gz GUCYZXQABSEUED-DGCLKSJQSA-N 0 3 268.288 2.391 20 5 CEBDHN NC(=O)CC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000934821907 624821381 /nfs/dbraw/zinc/82/13/81/624821381.db2.gz DGNNJKPOEKFJTK-UHFFFAOYSA-N 0 3 291.351 2.263 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)c2ccsc2)c1 ZINC000219099225 624940100 /nfs/dbraw/zinc/94/01/00/624940100.db2.gz SGDYXSYRWNAFGR-ZDUSSCGKSA-N 0 3 278.333 2.480 20 5 CEBDHN CC(COC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)[N+](=O)[O-] ZINC000851037637 627354970 /nfs/dbraw/zinc/35/49/70/627354970.db2.gz YLXVBQVTTFFJAE-YWVKMMECSA-N 0 3 277.267 2.410 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000892875959 627825667 /nfs/dbraw/zinc/82/56/67/627825667.db2.gz LKLUBMCKFZEYPC-ZJUUUORDSA-N 0 3 292.339 2.036 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCCN1C ZINC000092630573 628238045 /nfs/dbraw/zinc/23/80/45/628238045.db2.gz NAOVHEVUVIBVQD-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN Cc1cc(N2CC[C@H]3CN(C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940337 629055839 /nfs/dbraw/zinc/05/58/39/629055839.db2.gz MWNJFIXSTWEBOB-HZMBPMFUSA-N 0 3 279.315 2.183 20 5 CEBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ccc(F)cc1[N+](=O)[O-] ZINC000895193549 630025063 /nfs/dbraw/zinc/02/50/63/630025063.db2.gz VVFQLYDLQPQTLL-NWDGAFQWSA-N 0 3 279.315 2.407 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CCC(C)(C)OC)c1[N+](=O)[O-] ZINC000895816809 630360827 /nfs/dbraw/zinc/36/08/27/630360827.db2.gz MAOLCFSJERECJA-UHFFFAOYSA-N 0 3 298.339 2.214 20 5 CEBDHN C[C@@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737322 630653541 /nfs/dbraw/zinc/65/35/41/630653541.db2.gz QYGPNAKVWNTXPM-KCJUWKMLSA-N 0 3 270.716 2.373 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)CN(C)C ZINC000808072364 631913875 /nfs/dbraw/zinc/91/38/75/631913875.db2.gz FDSBADQNDJHZHY-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CC(COC(=O)c1cc2ccccc2n1C)[N+](=O)[O-] ZINC000813103648 632622892 /nfs/dbraw/zinc/62/28/92/632622892.db2.gz DESYCYGNNRFZND-VIFPVBQESA-N 0 3 262.265 2.000 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000813104223 632622962 /nfs/dbraw/zinc/62/29/62/632622962.db2.gz YLKJOAPTLDNKRQ-RNKPRXRFSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(COC(=O)/C=C/c1ccc2[nH]ccc2c1)[N+](=O)[O-] ZINC000813105790 632623191 /nfs/dbraw/zinc/62/31/91/632623191.db2.gz UODFDRGBKKCPRM-GFAPAMAISA-N 0 3 274.276 2.390 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCc2ccccc21)[N+](=O)[O-] ZINC000813106178 632623337 /nfs/dbraw/zinc/62/33/37/632623337.db2.gz ZXUBXDPLCXBTOB-PWSUYJOCSA-N 0 3 263.293 2.315 20 5 CEBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813106109 632623792 /nfs/dbraw/zinc/62/37/92/632623792.db2.gz YPBIIABRNVMCEA-ZETCQYMHSA-N 0 3 273.285 2.370 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCc2sccc21)[N+](=O)[O-] ZINC000813106671 632624736 /nfs/dbraw/zinc/62/47/36/632624736.db2.gz GFSGCOKRBXGQMY-PSASIEDQSA-N 0 3 269.322 2.376 20 5 CEBDHN CC(COC(=O)C1(Cc2ccccc2F)CC1)[N+](=O)[O-] ZINC000813108633 632625972 /nfs/dbraw/zinc/62/59/72/632625972.db2.gz IYDHVPPMWARJQH-JTQLQIEISA-N 0 3 281.283 2.357 20 5 CEBDHN CC(COC(=O)CCCc1cccs1)[N+](=O)[O-] ZINC000813114422 632628092 /nfs/dbraw/zinc/62/80/92/632628092.db2.gz RKQLEXVPRUEHHY-SECBINFHSA-N 0 3 257.311 2.279 20 5 CEBDHN CC(COC(=O)[C@H]1CCSc2ccccc21)[N+](=O)[O-] ZINC000813115596 632629582 /nfs/dbraw/zinc/62/95/82/632629582.db2.gz WAOYLFOKHOTADM-ONGXEEELSA-N 0 3 281.333 2.474 20 5 CEBDHN CC(COC(=O)c1cnc2c(F)ccc(F)c2c1)[N+](=O)[O-] ZINC000816091055 633115389 /nfs/dbraw/zinc/11/53/89/633115389.db2.gz JDRHKMQZEKFWLD-SSDOTTSWSA-N 0 3 296.229 2.335 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCCC[C@H]2F)cc1 ZINC000819370467 634159846 /nfs/dbraw/zinc/15/98/46/634159846.db2.gz SKMSSAXCRKROBQ-MGPQQGTHSA-N 0 3 282.315 2.499 20 5 CEBDHN COC[C@H](C)N[C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056005 634948600 /nfs/dbraw/zinc/94/86/00/634948600.db2.gz OVRHCDWHENMROL-VHSXEESVSA-N 0 3 268.313 2.289 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)c1 ZINC000822654226 634964119 /nfs/dbraw/zinc/96/41/19/634964119.db2.gz JLWNBNIOOOKBKA-IEBDPFPHSA-N 0 3 272.264 2.068 20 5 CEBDHN CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824533799 635444767 /nfs/dbraw/zinc/44/47/67/635444767.db2.gz ORTFCTKDOFGYQE-SNVBAGLBSA-N 0 3 272.732 2.451 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccccc2Cl)CC1 ZINC000905191097 635859707 /nfs/dbraw/zinc/85/97/07/635859707.db2.gz NNUDUTPCAPQSGB-UHFFFAOYSA-N 0 3 254.717 2.238 20 5 CEBDHN COCCN(C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876564855 650333424 /nfs/dbraw/zinc/33/34/24/650333424.db2.gz PZLPPWMSBKUZSC-UHFFFAOYSA-N 0 3 252.314 2.290 20 5 CEBDHN CCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000910293623 637998177 /nfs/dbraw/zinc/99/81/77/637998177.db2.gz PUVDOTGTHDVTPJ-GFCCVEGCSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1nc2ccccc2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454616 638263037 /nfs/dbraw/zinc/26/30/37/638263037.db2.gz KWSVQYATBUAMHI-SECBINFHSA-N 0 3 274.276 2.365 20 5 CEBDHN CC[C@@H](C)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182933 638599735 /nfs/dbraw/zinc/59/97/35/638599735.db2.gz LQDXTXMXCPGTGR-ZWNOBZJWSA-N 0 3 291.351 2.247 20 5 CEBDHN C[C@H](C[C@H](C)O)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109158 639617538 /nfs/dbraw/zinc/61/75/38/639617538.db2.gz FKNBHNRMHLOVCH-BDAKNGLRSA-N 0 3 272.732 2.497 20 5 CEBDHN C[C@@H](O)C[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105843 639617685 /nfs/dbraw/zinc/61/76/85/639617685.db2.gz WDPCQEHZVDOJNS-DTWKUNHWSA-N 0 3 272.732 2.497 20 5 CEBDHN C[C@H](O)C[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105852 639617933 /nfs/dbraw/zinc/61/79/33/639617933.db2.gz WDPCQEHZVDOJNS-IUCAKERBSA-N 0 3 272.732 2.497 20 5 CEBDHN CN(Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000172963956 639833409 /nfs/dbraw/zinc/83/34/09/639833409.db2.gz PHUUGPRYIVEKNX-UHFFFAOYSA-N 0 3 260.297 2.386 20 5 CEBDHN COCCCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000841689884 639838628 /nfs/dbraw/zinc/83/86/28/639838628.db2.gz HZXZCMDSKZZICP-UHFFFAOYSA-N 0 3 292.339 2.260 20 5 CEBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000844403217 640709581 /nfs/dbraw/zinc/70/95/81/640709581.db2.gz DUJQIRNKVHHNBW-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN CCC(C)(C)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000848760914 642132929 /nfs/dbraw/zinc/13/29/29/642132929.db2.gz LAQZVCSZHJGRGU-UHFFFAOYSA-N 0 3 292.383 2.488 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850572326 642754780 /nfs/dbraw/zinc/75/47/80/642754780.db2.gz ZPZDUKRFKIRHFP-WQHBLYJGSA-N 0 3 265.313 2.005 20 5 CEBDHN CN(CCOC(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000852038207 643274321 /nfs/dbraw/zinc/27/43/21/643274321.db2.gz KPFCYJQTSPAEGU-UHFFFAOYSA-N 0 3 274.267 2.308 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC(CC3CC3)C2)cc1 ZINC000857212861 644849664 /nfs/dbraw/zinc/84/96/64/644849664.db2.gz ZEXORXSPPNVNNP-HNNXBMFYSA-N 0 3 276.336 2.360 20 5 CEBDHN CCOc1cccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776729 645902635 /nfs/dbraw/zinc/90/26/35/645902635.db2.gz HOKHIGCJLLERFT-SKVAFPRGSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)Cc1ccc(F)c(Cl)c1)[N+](=O)[O-] ZINC000860777552 645902754 /nfs/dbraw/zinc/90/27/54/645902754.db2.gz QFSUQWGOUFSNHJ-ZETCQYMHSA-N 0 3 275.663 2.230 20 5 CEBDHN CCO[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274342 647044609 /nfs/dbraw/zinc/04/46/09/647044609.db2.gz CGCRAYJDECYVAJ-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN CCN(CCCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783569791 647730986 /nfs/dbraw/zinc/73/09/86/647730986.db2.gz PBBNLZUUJGVPIL-UHFFFAOYSA-N 0 3 272.732 2.453 20 5 CEBDHN C[C@@H]1C[C@H](C)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791565111 648544231 /nfs/dbraw/zinc/54/42/31/648544231.db2.gz FGOXLLXZMHUVFM-CWSCBRNRSA-N 0 3 250.298 2.111 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CF)C1 ZINC000880294490 651417546 /nfs/dbraw/zinc/41/75/46/651417546.db2.gz BULSQRZQLRETGO-LLVKDONJSA-N 0 3 268.288 2.265 20 5 CEBDHN O=[N+]([O-])c1c(F)nccc1NCCN1CCCCCC1 ZINC000881796840 651886510 /nfs/dbraw/zinc/88/65/10/651886510.db2.gz KEZSRATZKKHNGP-UHFFFAOYSA-N 0 3 282.319 2.417 20 5 CEBDHN CC[C@H](NCC[S@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130912070 652354730 /nfs/dbraw/zinc/35/47/30/652354730.db2.gz SQLVDEYLOLMIAS-DJJJIMSYSA-N 0 3 284.381 2.404 20 5 CEBDHN Cc1nc(N2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268487359 719328711 /nfs/dbraw/zinc/32/87/11/719328711.db2.gz MTOMCTSQTSXEFK-UHFFFAOYSA-N 0 3 278.356 2.076 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1NCCOC(F)(F)F)CNC2 ZINC001168173633 806362569 /nfs/dbraw/zinc/36/25/69/806362569.db2.gz BVRYELFLEUMABK-UHFFFAOYSA-N 0 3 291.229 2.146 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000721873802 806411768 /nfs/dbraw/zinc/41/17/68/806411768.db2.gz NINYJLVMQGPHMK-ZDUSSCGKSA-N 0 3 278.352 2.496 20 5 CEBDHN CC[C@@H](C[C@@H](C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000716828982 815152089 /nfs/dbraw/zinc/15/20/89/815152089.db2.gz KTQLLGXYKBQOOI-KOLCDFICSA-N 0 3 270.304 2.373 20 5 CEBDHN C[C@H]1COC[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794298 807849474 /nfs/dbraw/zinc/84/94/74/807849474.db2.gz YMPGPCIHVYMPCT-GZMMTYOYSA-N 0 3 270.716 2.373 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2C[C@H](O)C2)c1 ZINC000720995812 811105948 /nfs/dbraw/zinc/10/59/48/811105948.db2.gz ZZILXOABUBGAGM-JLIMDTESSA-N 0 3 270.716 2.109 20 5 CEBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001169231815 811445407 /nfs/dbraw/zinc/44/54/07/811445407.db2.gz UDEKHQJMAZXOQF-ZETCQYMHSA-N 0 3 266.688 2.454 20 5 CEBDHN Cc1c(C)c(N2C[C@H]3[C@H](C2)CCCN3C)ncc1[N+](=O)[O-] ZINC001157266467 812062674 /nfs/dbraw/zinc/06/26/74/812062674.db2.gz SRSUYFYEFVADEH-JSGCOSHPSA-N 0 3 290.367 2.137 20 5 CEBDHN CCC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133164374 813004730 /nfs/dbraw/zinc/00/47/30/813004730.db2.gz ZTJQTUHQXUMCOQ-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN CN1CC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712581455 814753650 /nfs/dbraw/zinc/75/36/50/814753650.db2.gz MVFWXFFYNHHOMA-NSHDSACASA-N 0 3 269.732 2.042 20 5 CEBDHN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000712559723 814766452 /nfs/dbraw/zinc/76/64/52/814766452.db2.gz WJPAZDGTRPTPBO-JTQLQIEISA-N 0 3 272.308 2.259 20 5 CEBDHN COCC1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173223533 815627734 /nfs/dbraw/zinc/62/77/34/815627734.db2.gz ASNSRWCQWXSDTN-LLVKDONJSA-N 0 3 264.325 2.104 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(N(C)C)C1 ZINC001173234913 815633867 /nfs/dbraw/zinc/63/38/67/815633867.db2.gz UNDDMZHJHLIFIQ-LBPRGKRZSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@H](NCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041063985 362015735 /nfs/dbraw/zinc/01/57/35/362015735.db2.gz JCWJMQKTHKPWNC-NSHDSACASA-N 0 3 260.297 2.142 20 5 CEBDHN COc1cc(NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000273919264 192362204 /nfs/dbraw/zinc/36/22/04/192362204.db2.gz JKUULOYJAQNOPS-UHFFFAOYSA-N 0 3 277.324 2.277 20 5 CEBDHN CC(C)(C)N1CCCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066811143 343722387 /nfs/dbraw/zinc/72/23/87/343722387.db2.gz AJUDKAAOQOICQX-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000068223022 343757851 /nfs/dbraw/zinc/75/78/51/343757851.db2.gz GWWJDQZWXBLUAN-ZDUSSCGKSA-N 0 3 293.367 2.301 20 5 CEBDHN Cc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000068342232 343762313 /nfs/dbraw/zinc/76/23/13/343762313.db2.gz LNVXYPQARVRKMM-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@@H](N2CCCC2)C1 ZINC000076836009 343899558 /nfs/dbraw/zinc/89/95/58/343899558.db2.gz ZZZZXYBWLMUVBM-GFCCVEGCSA-N 0 3 276.340 2.054 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049096340 362339073 /nfs/dbraw/zinc/33/90/73/362339073.db2.gz BKWGGSZLKJMHAM-JTQLQIEISA-N 0 3 297.742 2.072 20 5 CEBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413084 344139494 /nfs/dbraw/zinc/13/94/94/344139494.db2.gz BEXRFFFGRZYEID-SMDDNHRTSA-N 0 3 291.351 2.175 20 5 CEBDHN CCc1nn(C)c(NCCN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000094136456 344234050 /nfs/dbraw/zinc/23/40/50/344234050.db2.gz UBNXJDLRXUQTAL-LLVKDONJSA-N 0 3 295.387 2.177 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)c1 ZINC000092652181 344197767 /nfs/dbraw/zinc/19/77/67/344197767.db2.gz ZRGLFFOXZWKVTK-SNVBAGLBSA-N 0 3 297.330 2.496 20 5 CEBDHN CCc1nn(C)c(NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000092828686 344205199 /nfs/dbraw/zinc/20/51/99/344205199.db2.gz NCUVJLDNFPVPPN-LLVKDONJSA-N 0 3 295.387 2.035 20 5 CEBDHN CCN(CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1C ZINC000050055044 362395350 /nfs/dbraw/zinc/39/53/50/362395350.db2.gz GITQKVKOGFCDQC-UHFFFAOYSA-N 0 3 280.324 2.288 20 5 CEBDHN Cc1ccnc(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497338 344553742 /nfs/dbraw/zinc/55/37/42/344553742.db2.gz PHJOOSZOQRTXQO-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1c(CN[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000052013657 362460585 /nfs/dbraw/zinc/46/05/85/362460585.db2.gz KAZNRICAHTYLPQ-TZMCWYRMSA-N 0 3 264.325 2.296 20 5 CEBDHN COc1cc(CNCCSC)c([N+](=O)[O-])cc1OC ZINC000237146197 344600326 /nfs/dbraw/zinc/60/03/26/344600326.db2.gz MBMQWPTYIDNIHP-UHFFFAOYSA-N 0 3 286.353 2.065 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNCCC[C@@H]1CCO1 ZINC000602547149 347071880 /nfs/dbraw/zinc/07/18/80/347071880.db2.gz AJSJTPIKAVTUFO-CYBMUJFWSA-N 0 3 280.324 2.262 20 5 CEBDHN CCN1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401145842 344866333 /nfs/dbraw/zinc/86/63/33/344866333.db2.gz BPFCOVOTCISPIW-JTQLQIEISA-N 0 3 268.292 2.025 20 5 CEBDHN C[C@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])CCN1C ZINC000401151513 344866674 /nfs/dbraw/zinc/86/66/74/344866674.db2.gz FQVNWBJGOPIWDA-WCBMZHEXSA-N 0 3 268.292 2.024 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577089 347085441 /nfs/dbraw/zinc/08/54/41/347085441.db2.gz RLAJSADLGFRQTF-ZJUUUORDSA-N 0 3 291.307 2.393 20 5 CEBDHN CN1CC[C@@]2(CCN(c3sccc3[N+](=O)[O-])C2)C1 ZINC000589879229 345104060 /nfs/dbraw/zinc/10/40/60/345104060.db2.gz PSNRMRTVKWGGJK-GFCCVEGCSA-N 0 3 267.354 2.188 20 5 CEBDHN CN1C[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010518 345109752 /nfs/dbraw/zinc/10/97/52/345109752.db2.gz MPWTWWCMUTXPEB-SMDDNHRTSA-N 0 3 295.770 2.384 20 5 CEBDHN CN1C[C@H]2[C@@H](CCN2Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000590010791 345110252 /nfs/dbraw/zinc/11/02/52/345110252.db2.gz UJDYCTLZSJGCRE-XPTSAGLGSA-N 0 3 297.305 2.009 20 5 CEBDHN CC[C@@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000591532450 345263693 /nfs/dbraw/zinc/26/36/93/345263693.db2.gz LJWGYWNATQHXDL-ZYHUDNBSSA-N 0 3 252.314 2.325 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047782 345428580 /nfs/dbraw/zinc/42/85/80/345428580.db2.gz DSIQYFNENDZLJU-YPMHNXCESA-N 0 3 296.367 2.490 20 5 CEBDHN COc1ccc(CN[C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000295107988 199348370 /nfs/dbraw/zinc/34/83/70/199348370.db2.gz UQLGYUDLWXKZCR-JTQLQIEISA-N 0 3 282.340 2.243 20 5 CEBDHN C[C@H](CCO)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694998 345523597 /nfs/dbraw/zinc/52/35/97/345523597.db2.gz VRUMMEZCQWTWCN-SMYYYNMVSA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)CCF ZINC000593718627 345526297 /nfs/dbraw/zinc/52/62/97/345526297.db2.gz NLGSQIMGMCNMMK-WDEREUQCSA-N 0 3 270.304 2.274 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCCC[C@H]23)nc1 ZINC000594599263 345656004 /nfs/dbraw/zinc/65/60/04/345656004.db2.gz IPVKQVHSAXDYDL-QWHCGFSZSA-N 0 3 276.340 2.419 20 5 CEBDHN Cc1ccc2cc(CNCCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000594932095 345707645 /nfs/dbraw/zinc/70/76/45/345707645.db2.gz WCFCREARRVVPNY-UHFFFAOYSA-N 0 3 299.334 2.371 20 5 CEBDHN CC1(C)OCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000594994476 345723162 /nfs/dbraw/zinc/72/31/62/345723162.db2.gz GBZGHJZRLOMHGZ-LBPRGKRZSA-N 0 3 264.325 2.500 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@](C)(O)C1CC1 ZINC000595016077 345727412 /nfs/dbraw/zinc/72/74/12/345727412.db2.gz GZSZTGQNOZDNHB-BMIGLBTASA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCN[C@@H]1CCCn2nccc21 ZINC000595024483 345730420 /nfs/dbraw/zinc/73/04/20/345730420.db2.gz GKMKIKYKRAPCKG-CYBMUJFWSA-N 0 3 286.335 2.459 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC/C=C\CO)CCC2 ZINC000595065502 345738189 /nfs/dbraw/zinc/73/81/89/345738189.db2.gz BUOLAALJYXZRCX-BOPNBLERSA-N 0 3 262.309 2.110 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748826 345865854 /nfs/dbraw/zinc/86/58/54/345865854.db2.gz IBMDJLPBOPLPON-YABSGUDNSA-N 0 3 264.325 2.044 20 5 CEBDHN COc1cc(CN2C[C@@H]3COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757993 345869563 /nfs/dbraw/zinc/86/95/63/345869563.db2.gz LSHBRTNVSHLSGF-DOMZBBRYSA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@H]1CCCC[N@@H+]1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596061860 345930304 /nfs/dbraw/zinc/93/03/04/345930304.db2.gz LRFSFJNCWJKCEV-NSHDSACASA-N 0 3 294.355 2.372 20 5 CEBDHN C[C@H]1CCCC[N@H+]1CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596061860 345930307 /nfs/dbraw/zinc/93/03/07/345930307.db2.gz LRFSFJNCWJKCEV-NSHDSACASA-N 0 3 294.355 2.372 20 5 CEBDHN CN(CC1CN(C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000596452813 346027502 /nfs/dbraw/zinc/02/75/02/346027502.db2.gz GQNRBZVRSMYROZ-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1CN(C)C1 ZINC000597202666 346147767 /nfs/dbraw/zinc/14/77/67/346147767.db2.gz HTDOXUYLAUFMGH-ALCCZGGFSA-N 0 3 275.352 2.101 20 5 CEBDHN C[C@H](CCO)CCNCc1csc([N+](=O)[O-])c1 ZINC000295145649 199370441 /nfs/dbraw/zinc/37/04/41/199370441.db2.gz QLTMPXCHHNURCS-VIFPVBQESA-N 0 3 258.343 2.155 20 5 CEBDHN Cc1sc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598576691 346376934 /nfs/dbraw/zinc/37/69/34/346376934.db2.gz YVVNFFYRZGDWCU-JTQLQIEISA-N 0 3 297.380 2.035 20 5 CEBDHN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645332 346391469 /nfs/dbraw/zinc/39/14/69/346391469.db2.gz GVIDSUITOYHWJB-WCQYABFASA-N 0 3 264.325 2.045 20 5 CEBDHN CO[C@H]1C[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000599014418 346445925 /nfs/dbraw/zinc/44/59/25/346445925.db2.gz AGEKSMJTZUAWRV-WAAGHKOSSA-N 0 3 256.327 2.171 20 5 CEBDHN CC(C)CC[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000598991189 346443160 /nfs/dbraw/zinc/44/31/60/346443160.db2.gz LYKPTRBTKBEBOF-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN CCC[C@H](NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712229 346676076 /nfs/dbraw/zinc/67/60/76/346676076.db2.gz UZUSYJKSYFQIAL-ZFWWWQNUSA-N 0 3 293.367 2.014 20 5 CEBDHN CC1(C)[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000128441940 187371353 /nfs/dbraw/zinc/37/13/53/187371353.db2.gz FRCICQXVBHXTTQ-NEPJUHHUSA-N 0 3 284.743 2.497 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000336814978 365857381 /nfs/dbraw/zinc/85/73/81/365857381.db2.gz YKXQCUFFIDLWRE-NSHDSACASA-N 0 3 266.341 2.496 20 5 CEBDHN CO[C@@](C)(CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336819484 365864695 /nfs/dbraw/zinc/86/46/95/365864695.db2.gz ZZRHOHRHDISYMO-AWEZNQCLSA-N 0 3 264.325 2.500 20 5 CEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CC(N2CCCC2)C1 ZINC000601193805 346782824 /nfs/dbraw/zinc/78/28/24/346782824.db2.gz QFSKJRINSIRRPI-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635641 347116235 /nfs/dbraw/zinc/11/62/35/347116235.db2.gz AULVEXLDAJDTQW-BDAKNGLRSA-N 0 3 292.364 2.455 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@H](C)C1 ZINC000602801899 347204800 /nfs/dbraw/zinc/20/48/00/347204800.db2.gz VPGJZMSVKKRBGO-WDEREUQCSA-N 0 3 266.345 2.078 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)CC(C)(C)C1 ZINC000602804139 347206516 /nfs/dbraw/zinc/20/65/16/347206516.db2.gz IXLHSDHQIPNJPY-LLVKDONJSA-N 0 3 280.372 2.468 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)CC(C)(C)C1 ZINC000602804140 347206671 /nfs/dbraw/zinc/20/66/71/347206671.db2.gz IXLHSDHQIPNJPY-NSHDSACASA-N 0 3 280.372 2.468 20 5 CEBDHN C[C@@H]1C[C@@H]1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733870 347177941 /nfs/dbraw/zinc/17/79/41/347177941.db2.gz XHBLFHBDZAPRDB-GYSYKLTISA-N 0 3 264.325 2.048 20 5 CEBDHN C[C@@H]1CCCC[C@@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602844055 347221544 /nfs/dbraw/zinc/22/15/44/347221544.db2.gz YKHDKWXBSHPWSW-ZWNOBZJWSA-N 0 3 266.345 2.387 20 5 CEBDHN C[C@H](O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000086014150 179215573 /nfs/dbraw/zinc/21/55/73/179215573.db2.gz SJUPGYWOMWRLGU-QMMMGPOBSA-N 0 3 258.705 2.109 20 5 CEBDHN CC[C@@H](N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218949 347311930 /nfs/dbraw/zinc/31/19/30/347311930.db2.gz OGJMYPVVEUEPDS-MWLCHTKSSA-N 0 3 275.312 2.205 20 5 CEBDHN Cc1ccnc(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609670565 347649358 /nfs/dbraw/zinc/64/93/58/347649358.db2.gz UPYSIJDZLJPVDL-LBPRGKRZSA-N 0 3 276.340 2.194 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000336840152 365911128 /nfs/dbraw/zinc/91/11/28/365911128.db2.gz PSTFBTFCFZMCBI-GXSJLCMTSA-N 0 3 281.360 2.014 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H]2CCC[C@@H]21 ZINC000610585249 347694191 /nfs/dbraw/zinc/69/41/91/347694191.db2.gz HNMKCNDODRXQJD-NEPJUHHUSA-N 0 3 262.309 2.458 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C(C)(C)O ZINC000612580046 347903651 /nfs/dbraw/zinc/90/36/51/347903651.db2.gz BGHKYYDHZAFUOX-SNVBAGLBSA-N 0 3 252.314 2.152 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000086626203 179313105 /nfs/dbraw/zinc/31/31/05/179313105.db2.gz QITRGSHJTXFMFI-MWLCHTKSSA-N 0 3 252.314 2.182 20 5 CEBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000612793993 347927065 /nfs/dbraw/zinc/92/70/65/347927065.db2.gz KVUZVIRABLKEBW-UHFFFAOYSA-N 0 3 253.327 2.330 20 5 CEBDHN COc1cc(N2C[C@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615496351 348336410 /nfs/dbraw/zinc/33/64/10/348336410.db2.gz YMXFBFBAZNXQDA-WDEREUQCSA-N 0 3 279.340 2.132 20 5 CEBDHN COc1ccc(CNCC[C@H](C)F)cc1[N+](=O)[O-] ZINC000339481261 215197910 /nfs/dbraw/zinc/19/79/10/215197910.db2.gz CKRMKHMZUDUSQG-VIFPVBQESA-N 0 3 256.277 2.441 20 5 CEBDHN CC[C@@]1(NCc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000619531987 349194452 /nfs/dbraw/zinc/19/44/52/349194452.db2.gz YIFCPVLJXQCZDL-CQSZACIVSA-N 0 3 280.324 2.262 20 5 CEBDHN CC(C)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090550796 180003040 /nfs/dbraw/zinc/00/30/40/180003040.db2.gz BYHPKYQWMOUZIG-UHFFFAOYSA-N 0 3 293.367 2.125 20 5 CEBDHN CC[C@@H](c1ccncc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000091992859 180300495 /nfs/dbraw/zinc/30/04/95/180300495.db2.gz PSMUTXCHVBRACE-AWEZNQCLSA-N 0 3 289.339 2.269 20 5 CEBDHN CC[C@H](c1ccncc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000092225213 180346748 /nfs/dbraw/zinc/34/67/48/180346748.db2.gz YCNANRWNWCIUHV-CYBMUJFWSA-N 0 3 289.339 2.269 20 5 CEBDHN COc1ccc(CN(C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000107693669 186186241 /nfs/dbraw/zinc/18/62/41/186186241.db2.gz WHQLZEPXFIKEOM-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN CSC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292047006 198143754 /nfs/dbraw/zinc/14/37/54/198143754.db2.gz BCFOOASHMVMOCL-JTQLQIEISA-N 0 3 284.381 2.143 20 5 CEBDHN Cc1ccc([C@H](C)NCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000271767901 191314855 /nfs/dbraw/zinc/31/48/55/191314855.db2.gz HUNQJRNLNIELBF-LBPRGKRZSA-N 0 3 291.351 2.176 20 5 CEBDHN COC[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648126 191844447 /nfs/dbraw/zinc/84/44/47/191844447.db2.gz DUDSXZLJEONSNV-NWDGAFQWSA-N 0 3 282.340 2.215 20 5 CEBDHN Cc1ccc(CN[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000134238626 366302891 /nfs/dbraw/zinc/30/28/91/366302891.db2.gz FAHCQELEGXULEH-JQWIXIFHSA-N 0 3 250.298 2.170 20 5 CEBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000078971981 363559776 /nfs/dbraw/zinc/55/97/76/363559776.db2.gz FFCYFCXJRYBOEW-SNVBAGLBSA-N 0 3 299.396 2.362 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNc1nccn1C ZINC000414305898 236332939 /nfs/dbraw/zinc/33/29/39/236332939.db2.gz QKYSUAHZKAOUSF-UHFFFAOYSA-N 0 3 276.296 2.339 20 5 CEBDHN C[C@@H](CCCO)CNCc1ccccc1[N+](=O)[O-] ZINC000294907392 199242090 /nfs/dbraw/zinc/24/20/90/199242090.db2.gz XUMGAJSMAAOOTG-NSHDSACASA-N 0 3 252.314 2.093 20 5 CEBDHN COc1cc(CNCC[C@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000338710550 366482703 /nfs/dbraw/zinc/48/27/03/366482703.db2.gz VTTPDOZJPMSGND-JTQLQIEISA-N 0 3 298.339 2.127 20 5 CEBDHN CN1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000149108943 366588123 /nfs/dbraw/zinc/58/81/23/366588123.db2.gz ACFFECHGFGYPOR-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CC(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298301037 200388202 /nfs/dbraw/zinc/38/82/02/200388202.db2.gz MCRBPRUQVMSLPT-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN Cc1cnc(OCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000176706199 189005197 /nfs/dbraw/zinc/00/51/97/189005197.db2.gz WPKGGNKXQBASLJ-UHFFFAOYSA-N 0 3 265.313 2.163 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(O)C1 ZINC000177973923 189082021 /nfs/dbraw/zinc/08/20/21/189082021.db2.gz XANBIPYFZAPLLP-GXFFZTMASA-N 0 3 250.298 2.113 20 5 CEBDHN CCN1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000299633716 200812322 /nfs/dbraw/zinc/81/23/22/200812322.db2.gz OHYCNMHEZJWUHF-UHFFFAOYSA-N 0 3 292.339 2.154 20 5 CEBDHN COCCOCCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000571689485 299324169 /nfs/dbraw/zinc/32/41/69/299324169.db2.gz TZJQMXZASZITDY-ALCCZGGFSA-N 0 3 294.351 2.203 20 5 CEBDHN CCC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236994532 370674146 /nfs/dbraw/zinc/67/41/46/370674146.db2.gz RJEGIFBLXKWDTE-ZYHUDNBSSA-N 0 3 279.340 2.208 20 5 CEBDHN CN(CCC1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154670560 366783588 /nfs/dbraw/zinc/78/35/88/366783588.db2.gz OMASIEFVFWOBAN-AWEZNQCLSA-N 0 3 264.325 2.360 20 5 CEBDHN CNC(=O)CCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093717484 364220705 /nfs/dbraw/zinc/22/07/05/364220705.db2.gz ZWKXRGXOSIQNMC-VMPITWQZSA-N 0 3 291.351 2.066 20 5 CEBDHN C[C@H](O)CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093481198 364189330 /nfs/dbraw/zinc/18/93/30/364189330.db2.gz UOXCQWWRGVAURI-PZBABLGHSA-N 0 3 264.325 2.311 20 5 CEBDHN C[C@@H](CO[C@H]1CCOC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166368047 367321436 /nfs/dbraw/zinc/32/14/36/367321436.db2.gz MAAJAZWLRHNHRD-HUBLWGQQSA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000171068210 367470376 /nfs/dbraw/zinc/47/03/76/367470376.db2.gz VZXXXHYRVAXJPD-GFCCVEGCSA-N 0 3 292.339 2.071 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000173454627 367912449 /nfs/dbraw/zinc/91/24/49/367912449.db2.gz GPORZQHZMATDOK-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN CCCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343612883 367916683 /nfs/dbraw/zinc/91/66/83/367916683.db2.gz PUDNYBUEZJMKCR-CQSZACIVSA-N 0 3 291.351 2.199 20 5 CEBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242414 368000917 /nfs/dbraw/zinc/00/09/17/368000917.db2.gz DTOMYFMQWXFALB-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN CC(=O)c1cc(N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000343805515 368015032 /nfs/dbraw/zinc/01/50/32/368015032.db2.gz LJTASPUVLCVIGD-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN Cc1cc(NCCN2[C@H](C)CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348181188 368937939 /nfs/dbraw/zinc/93/79/39/368937939.db2.gz NAHMSGAJFOOBOA-CHWSQXEVSA-N 0 3 292.383 2.395 20 5 CEBDHN COc1ccc(CN(CC(C)(C)O)C2CC2)cc1[N+](=O)[O-] ZINC000189865575 369573237 /nfs/dbraw/zinc/57/32/37/369573237.db2.gz WKQCCHJKAJHJSA-UHFFFAOYSA-N 0 3 294.351 2.339 20 5 CEBDHN CO[C@@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000190931185 369662917 /nfs/dbraw/zinc/66/29/17/369662917.db2.gz IWZBWTHAUYXRQO-NXEZZACHSA-N 0 3 256.327 2.313 20 5 CEBDHN CC(C)N1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195506445 370134896 /nfs/dbraw/zinc/13/48/96/370134896.db2.gz VYRHJBVYKBUFFC-UHFFFAOYSA-N 0 3 270.358 2.336 20 5 CEBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000354428446 370358234 /nfs/dbraw/zinc/35/82/34/370358234.db2.gz LKBRJUIJLQUBDQ-XYLWRLHESA-N 0 3 264.325 2.311 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000354352936 370328439 /nfs/dbraw/zinc/32/84/39/370328439.db2.gz KCZIRUQLBMTKHL-VXGBXAGGSA-N 0 3 278.356 2.299 20 5 CEBDHN C[C@H](O)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000227960248 370390591 /nfs/dbraw/zinc/39/05/91/370390591.db2.gz WKMNZIUTDWEODA-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN CN1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142342 370441683 /nfs/dbraw/zinc/44/16/83/370441683.db2.gz UVMJEQCVARRWJU-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN CO[C@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884737 370497241 /nfs/dbraw/zinc/49/72/41/370497241.db2.gz ULFZLAURGYDQFL-GHMZBOCLSA-N 0 3 252.314 2.416 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355340765 370554144 /nfs/dbraw/zinc/55/41/44/370554144.db2.gz WXWZAWMXLDTUGU-MNOVXSKESA-N 0 3 266.345 2.339 20 5 CEBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000344023099 217012642 /nfs/dbraw/zinc/01/26/42/217012642.db2.gz HKHIGYLQEYQPNT-LLVKDONJSA-N 0 3 266.345 2.159 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCNC[C@@H]2c2cccnc2)cc1 ZINC000261608192 371674266 /nfs/dbraw/zinc/67/42/66/371674266.db2.gz BMYZUCGODVBJKV-MRXNPFEDSA-N 0 3 298.346 2.136 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000361163641 371691753 /nfs/dbraw/zinc/69/17/53/371691753.db2.gz BMGVPXNSLYUTJE-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCNC[C@H]1c1cccnc1 ZINC000262281123 371845564 /nfs/dbraw/zinc/84/55/64/371845564.db2.gz UPSRRTGSRWSZQK-INIZCTEOSA-N 0 3 298.346 2.136 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361591908 371958595 /nfs/dbraw/zinc/95/85/95/371958595.db2.gz SSXAIMHTEWNOTQ-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361650939 372002055 /nfs/dbraw/zinc/00/20/55/372002055.db2.gz CFKVSXQMGWTBQP-FAQJLRJSSA-N 0 3 276.336 2.168 20 5 CEBDHN C[C@@H]1C[C@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000344176194 217087158 /nfs/dbraw/zinc/08/71/58/217087158.db2.gz RJKVBUJGZCAREF-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CCC1(CNCc2ccc(OC)c([N+](=O)[O-])c2)COC1 ZINC000344225229 217106787 /nfs/dbraw/zinc/10/67/87/217106787.db2.gz SMHMLIIDBRXZQZ-UHFFFAOYSA-N 0 3 280.324 2.120 20 5 CEBDHN Cc1c([C@@H](C)NC[C@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908282 372281621 /nfs/dbraw/zinc/28/16/21/372281621.db2.gz HGIURCQFZPRIKJ-BXUZGUMPSA-N 0 3 296.392 2.422 20 5 CEBDHN C[C@@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353144 217164664 /nfs/dbraw/zinc/16/46/64/217164664.db2.gz JJTCTEYQMGRRHC-MWLCHTKSSA-N 0 3 269.370 2.229 20 5 CEBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000269653149 372521043 /nfs/dbraw/zinc/52/10/43/372521043.db2.gz NFPLBXUWGIQMRC-CYBMUJFWSA-N 0 3 250.298 2.113 20 5 CEBDHN C[C@@H](O)C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775644 372562437 /nfs/dbraw/zinc/56/24/37/372562437.db2.gz DIPIRQVDAOQHRM-OCCSQVGLSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@@H](O)C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000269784451 372564203 /nfs/dbraw/zinc/56/42/03/372564203.db2.gz HNWKQUIRXDAJOA-OLZOCXBDSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@H](N[C@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345049109 217396803 /nfs/dbraw/zinc/39/68/03/217396803.db2.gz GGLUDHXQHYOQSC-GVXVVHGQSA-N 0 3 262.309 2.182 20 5 CEBDHN COc1cc(N(C)CCN(C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000274420548 373915885 /nfs/dbraw/zinc/91/58/85/373915885.db2.gz BYQFXQSJPUJRMB-UHFFFAOYSA-N 0 3 297.330 2.273 20 5 CEBDHN COc1ccc(CN(C)[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000274857289 374073428 /nfs/dbraw/zinc/07/34/28/374073428.db2.gz HFSTWLUZJGKSDO-ZDUSSCGKSA-N 0 3 296.367 2.442 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000277966570 374696066 /nfs/dbraw/zinc/69/60/66/374696066.db2.gz SJSGRZMPSLMHLL-TVQRCGJNSA-N 0 3 268.288 2.249 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCCCCO ZINC000279513347 374901769 /nfs/dbraw/zinc/90/17/69/374901769.db2.gz XMRWDJGLKFYHTE-UHFFFAOYSA-N 0 3 266.341 2.498 20 5 CEBDHN C[C@@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000280176359 375119647 /nfs/dbraw/zinc/11/96/47/375119647.db2.gz SSZHZUSTUZZMCS-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN C[S@](=O)C1(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000282287682 375447955 /nfs/dbraw/zinc/44/79/55/375447955.db2.gz IRKGNMPSPXHBRS-XXIDSNJLSA-N 0 3 294.376 2.109 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC[C@H]1O ZINC000283280036 375685786 /nfs/dbraw/zinc/68/57/86/375685786.db2.gz XEQKTMBQJFOOSM-BXUZGUMPSA-N 0 3 282.315 2.327 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000286520487 375981338 /nfs/dbraw/zinc/98/13/38/375981338.db2.gz NEOZLEUEJXKUNU-NSHDSACASA-N 0 3 281.331 2.260 20 5 CEBDHN Cc1c(NC(=O)N2C[C@@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000414715250 375936729 /nfs/dbraw/zinc/93/67/29/375936729.db2.gz WFXPRDCSRYTIFN-NXEZZACHSA-N 0 3 292.339 2.117 20 5 CEBDHN COc1ncccc1CCNCc1ccccc1[N+](=O)[O-] ZINC000289876582 376541241 /nfs/dbraw/zinc/54/12/41/376541241.db2.gz RPLQNGYAUNVNKC-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CCOCC(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000293336748 377526122 /nfs/dbraw/zinc/52/61/22/377526122.db2.gz RZLOHOJMGPKHOD-UHFFFAOYSA-N 0 3 282.340 2.378 20 5 CEBDHN CCC[C@H](CNCc1cccc([N+](=O)[O-])c1)OC ZINC000293740837 377734712 /nfs/dbraw/zinc/73/47/12/377734712.db2.gz SGADAVVJRBNISV-CYBMUJFWSA-N 0 3 252.314 2.500 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H](O)CC1 ZINC000294067984 377891940 /nfs/dbraw/zinc/89/19/40/377891940.db2.gz QICPKDPRTFPVDM-ZRFDWSJLSA-N 0 3 276.336 2.455 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000443519187 378059091 /nfs/dbraw/zinc/05/90/91/378059091.db2.gz NXQKCCQVSKMWSU-ZJUUUORDSA-N 0 3 284.385 2.360 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](CCCO)C1 ZINC000449790655 378232964 /nfs/dbraw/zinc/23/29/64/378232964.db2.gz LTJWEWGXPWEXFI-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN CC[C@@H](C)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000296149795 378433181 /nfs/dbraw/zinc/43/31/81/378433181.db2.gz XVDXKSVHNDNLRO-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN CC(C)C[C@@H](CN1CCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000450590264 378490164 /nfs/dbraw/zinc/49/01/64/378490164.db2.gz DFTZIHCGWJKNEQ-LBPRGKRZSA-N 0 3 295.387 2.251 20 5 CEBDHN Cc1cc(N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000450620797 378502413 /nfs/dbraw/zinc/50/24/13/378502413.db2.gz WMKIWMMNGHVNAO-CQSZACIVSA-N 0 3 293.367 2.162 20 5 CEBDHN O=[N+]([O-])c1cccc(CCN[C@@H]2CCn3ccnc32)c1 ZINC000296687841 378619177 /nfs/dbraw/zinc/61/91/77/378619177.db2.gz GZEISMFWIUUUDW-CYBMUJFWSA-N 0 3 272.308 2.068 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(C(C)C)C1 ZINC000450949515 378657596 /nfs/dbraw/zinc/65/75/96/378657596.db2.gz ASRCMRRXYBRUSC-GFCCVEGCSA-N 0 3 295.387 2.039 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000278560948 194043632 /nfs/dbraw/zinc/04/36/32/194043632.db2.gz CKILNTYOENXGRH-CABCVRRESA-N 0 3 294.351 2.187 20 5 CEBDHN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000347264069 218173125 /nfs/dbraw/zinc/17/31/25/218173125.db2.gz NHSBMMADDUNGIA-SMDDNHRTSA-N 0 3 292.335 2.287 20 5 CEBDHN O=C(CCN[C@@H]1CCC[C@@H]1F)Nc1ccccc1[N+](=O)[O-] ZINC000515234156 379198345 /nfs/dbraw/zinc/19/83/45/379198345.db2.gz CTFDNCGMACLTTF-WDEREUQCSA-N 0 3 295.314 2.404 20 5 CEBDHN Cc1nc(N2CCN(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000301671995 379295911 /nfs/dbraw/zinc/29/59/11/379295911.db2.gz ZGOXPOQAMFZDJE-UHFFFAOYSA-N 0 3 299.334 2.020 20 5 CEBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccco1 ZINC000267106493 190303958 /nfs/dbraw/zinc/30/39/58/190303958.db2.gz VZTWKIAATACJSN-UHFFFAOYSA-N 0 3 278.312 2.295 20 5 CEBDHN C[C@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034066 190371286 /nfs/dbraw/zinc/37/12/86/190371286.db2.gz LVOQOUPLPRDJQT-WDEREUQCSA-N 0 3 277.324 2.312 20 5 CEBDHN Cc1cccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000334042474 380219420 /nfs/dbraw/zinc/21/94/20/380219420.db2.gz ORUJGGCYHLQUDJ-NEPJUHHUSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000334041734 380219679 /nfs/dbraw/zinc/21/96/79/380219679.db2.gz AJYBRQOLINDZHM-JQWIXIFHSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000334042523 380220715 /nfs/dbraw/zinc/22/07/15/380220715.db2.gz REQUCVNZVXBSCM-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN COC[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897578 380288504 /nfs/dbraw/zinc/28/85/04/380288504.db2.gz KLLODYKJAMDSIF-YPMHNXCESA-N 0 3 282.340 2.215 20 5 CEBDHN C[C@H](N(C)Cc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000289427716 197341962 /nfs/dbraw/zinc/34/19/62/197341962.db2.gz VICQXCDBJQTPMQ-JTQLQIEISA-N 0 3 252.314 2.186 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000187317923 285115707 /nfs/dbraw/zinc/11/57/07/285115707.db2.gz VMEQZBTXINHNGU-MCIONIFRSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1ccccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266305386 285164114 /nfs/dbraw/zinc/16/41/14/285164114.db2.gz ZGTAMXRFOGPDHD-GFCCVEGCSA-N 0 3 259.309 2.045 20 5 CEBDHN CN(C)[C@]1(CNc2ccc(N)cc2[N+](=O)[O-])CCSC1 ZINC000288406063 197069333 /nfs/dbraw/zinc/06/93/33/197069333.db2.gz NAZLZHJBHHGKQC-ZDUSSCGKSA-N 0 3 296.396 2.026 20 5 CEBDHN CCC[C@@H](N[C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614424 195308889 /nfs/dbraw/zinc/30/88/89/195308889.db2.gz NGHWVJJCCLOTNA-DZGCQCFKSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1cccc(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000057713060 394564111 /nfs/dbraw/zinc/56/41/11/394564111.db2.gz GKGWVURQODMBFZ-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356853621 394631371 /nfs/dbraw/zinc/63/13/71/394631371.db2.gz SJVPJBLCDAHOSC-DGCLKSJQSA-N 0 3 264.325 2.500 20 5 CEBDHN CC[C@H](N[C@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017916 394708093 /nfs/dbraw/zinc/70/80/93/394708093.db2.gz OZUNJCQYKGFUKD-RISCZKNCSA-N 0 3 289.339 2.316 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000115443687 394755230 /nfs/dbraw/zinc/75/52/30/394755230.db2.gz WHGASJSXOKKJJE-GFCCVEGCSA-N 0 3 291.351 2.009 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]([C@H](C)O)C1 ZINC000272650209 394775648 /nfs/dbraw/zinc/77/56/48/394775648.db2.gz ZCAOFGMDUCKLBN-WOPDTQHZSA-N 0 3 264.325 2.359 20 5 CEBDHN CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000286337592 395020807 /nfs/dbraw/zinc/02/08/07/395020807.db2.gz LVECBOAUCFTWKR-SNVBAGLBSA-N 0 3 289.339 2.002 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@]1(C)CO ZINC000517065507 395187544 /nfs/dbraw/zinc/18/75/44/395187544.db2.gz YWRTUADWYYWZQM-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@@H]1CCN(C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000354091647 395314544 /nfs/dbraw/zinc/31/45/44/395314544.db2.gz LYKPBRLWQCUALQ-SNVBAGLBSA-N 0 3 267.304 2.264 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000191155088 395351523 /nfs/dbraw/zinc/35/15/23/395351523.db2.gz RHJBLMBSIXVSFH-GQCTYLIASA-N 0 3 276.336 2.311 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000420642625 395400216 /nfs/dbraw/zinc/40/02/16/395400216.db2.gz WEPVBWMAWCKPBM-NSHDSACASA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([S@](C)=O)CC1 ZINC000573666329 395613872 /nfs/dbraw/zinc/61/38/72/395613872.db2.gz LTCVUQOXJCQJHE-YBTHPKLGSA-N 0 3 296.392 2.465 20 5 CEBDHN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000572826840 395589415 /nfs/dbraw/zinc/58/94/15/395589415.db2.gz FDMYOVZJVSREKO-GHMZBOCLSA-N 0 3 286.335 2.330 20 5 CEBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cccc2[nH]ccc21 ZINC000494047530 395678893 /nfs/dbraw/zinc/67/88/93/395678893.db2.gz IPPHFIPYFSOZJC-UHFFFAOYSA-N 0 3 299.334 2.405 20 5 CEBDHN C[C@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000230378823 153392793 /nfs/dbraw/zinc/39/27/93/153392793.db2.gz LHKVGRZPVDITHH-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ccc([C@@H](C)NCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000020125470 171007932 /nfs/dbraw/zinc/00/79/32/171007932.db2.gz HFUGZZZUOLMXGX-GFCCVEGCSA-N 0 3 293.367 2.326 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCCOC[C@H]2CCCO2)c1 ZINC000020146879 171033085 /nfs/dbraw/zinc/03/30/85/171033085.db2.gz ZOBJFSPNUQAMAP-OAHLLOKOSA-N 0 3 294.351 2.270 20 5 CEBDHN C[C@H](NCCOCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394041 196271289 /nfs/dbraw/zinc/27/12/89/196271289.db2.gz WVSAKEBNHJSSGC-QMMMGPOBSA-N 0 3 289.282 2.109 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040464244 174273256 /nfs/dbraw/zinc/27/32/56/174273256.db2.gz AMQSANDHXDDNSP-CWSCBRNRSA-N 0 3 279.340 2.145 20 5 CEBDHN CCCNC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045072500 175301888 /nfs/dbraw/zinc/30/18/88/175301888.db2.gz DSTKSLAFMMFCDE-NSHDSACASA-N 0 3 279.340 2.162 20 5 CEBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739420 262384178 /nfs/dbraw/zinc/38/41/78/262384178.db2.gz WCZQJNGEWLJOMD-AXFHLTTASA-N 0 3 296.396 2.218 20 5 CEBDHN CCN(CC)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186021931 270247695 /nfs/dbraw/zinc/24/76/95/270247695.db2.gz NDLZGLUPKTUJTQ-UHFFFAOYSA-N 0 3 299.758 2.206 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(C)CC1 ZINC000226378627 270309894 /nfs/dbraw/zinc/30/98/94/270309894.db2.gz CBVSMTYWAKQIKW-UHFFFAOYSA-N 0 3 250.298 2.493 20 5 CEBDHN COc1ccc(CNCC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000393593722 270343438 /nfs/dbraw/zinc/34/34/38/270343438.db2.gz USCPSVWELKWKIA-UHFFFAOYSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645446 270360464 /nfs/dbraw/zinc/36/04/64/270360464.db2.gz ZGNCQBKINFEHTK-DGCLKSJQSA-N 0 3 264.325 2.045 20 5 CEBDHN CCCN(C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000431417778 271441198 /nfs/dbraw/zinc/44/11/98/271441198.db2.gz WZQCLAVLMVTPJL-UHFFFAOYSA-N 0 3 293.367 2.288 20 5 CEBDHN CCC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131107596 276026653 /nfs/dbraw/zinc/02/66/53/276026653.db2.gz KXDJSCFDUVNUBQ-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CN1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@H]2C1 ZINC000272143826 277178670 /nfs/dbraw/zinc/17/86/70/277178670.db2.gz BWNXGLURUJKNEN-GWCFXTLKSA-N 0 3 279.315 2.264 20 5 CEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590223 279116596 /nfs/dbraw/zinc/11/65/96/279116596.db2.gz YXCOFRIPGPNXCO-NXEZZACHSA-N 0 3 282.369 2.114 20 5 CEBDHN COc1ccc(CNC[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000398224733 280689674 /nfs/dbraw/zinc/68/96/74/280689674.db2.gz PKPPRJFLJLOCHJ-JQWIXIFHSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000422632909 280924935 /nfs/dbraw/zinc/92/49/35/280924935.db2.gz NKWPKPRXEUOEBN-NWDGAFQWSA-N 0 3 291.351 2.034 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](CC(N)=O)C1 ZINC000367310020 281020058 /nfs/dbraw/zinc/02/00/58/281020058.db2.gz ZXLZUOJOZOFAEP-NEPJUHHUSA-N 0 3 291.351 2.162 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000433172692 281372458 /nfs/dbraw/zinc/37/24/58/281372458.db2.gz DFHYUMICDIBXRL-CABZTGNLSA-N 0 3 268.288 2.249 20 5 CEBDHN C[C@@H]1C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850179 281787477 /nfs/dbraw/zinc/78/74/77/281787477.db2.gz WLPHZYAIJUGZTQ-RKDXNWHRSA-N 0 3 260.297 2.217 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(O)CCC1)CCC2 ZINC000447541414 281834423 /nfs/dbraw/zinc/83/44/23/281834423.db2.gz MHTORLLSRPFGSV-AWEZNQCLSA-N 0 3 276.336 2.477 20 5 CEBDHN Cc1nc(N2CC[C@@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268515283 281935820 /nfs/dbraw/zinc/93/58/20/281935820.db2.gz TUIOPBWXNWVTDB-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459800644 290245622 /nfs/dbraw/zinc/24/56/22/290245622.db2.gz WUUFDWJJYKTKEU-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COC(=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000486926927 290321130 /nfs/dbraw/zinc/32/11/30/290321130.db2.gz PZZSKEQSNWFFHE-XQRVVYSFSA-N 0 3 290.319 2.151 20 5 CEBDHN Cc1nc(N2CCN(C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487053289 290329695 /nfs/dbraw/zinc/32/96/95/290329695.db2.gz ZZQOKXRVHFGUOI-ZDUSSCGKSA-N 0 3 278.356 2.075 20 5 CEBDHN COC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278911420 293157822 /nfs/dbraw/zinc/15/78/22/293157822.db2.gz ZJOXNVJXMSMLQY-CQDKDKBSSA-N 0 3 294.351 2.439 20 5 CEBDHN COCC1(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538549540 298230584 /nfs/dbraw/zinc/23/05/84/298230584.db2.gz GEBYELZGLJWNAL-SNVBAGLBSA-N 0 3 250.298 2.424 20 5 CEBDHN O=[N+]([O-])c1cc(CNC2(C3CC3)CC2)c2c(c1)COCO2 ZINC000542525382 298292237 /nfs/dbraw/zinc/29/22/37/298292237.db2.gz ICYSPFSSRUVJRR-UHFFFAOYSA-N 0 3 290.319 2.494 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCOCC1 ZINC000576416332 314274102 /nfs/dbraw/zinc/27/41/02/314274102.db2.gz OOBPWSWYDGQVRH-UHFFFAOYSA-N 0 3 280.324 2.214 20 5 CEBDHN CCC1(NCc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC000451275262 517547022 /nfs/dbraw/zinc/54/70/22/517547022.db2.gz LTGJGSMYJRSQBR-UHFFFAOYSA-N 0 3 252.318 2.141 20 5 CEBDHN CCCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374526 520433496 /nfs/dbraw/zinc/43/34/96/520433496.db2.gz BBFJGUNUYAIYPW-AWEZNQCLSA-N 0 3 291.351 2.432 20 5 CEBDHN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000412080600 528945534 /nfs/dbraw/zinc/94/55/34/528945534.db2.gz NTOCZZTVDZZVDH-CYBMUJFWSA-N 0 3 291.351 2.084 20 5 CEBDHN CC[C@H](CNc1ncc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000413056112 529373889 /nfs/dbraw/zinc/37/38/89/529373889.db2.gz TYFOASQTRORXND-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN CCCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000113541750 534932780 /nfs/dbraw/zinc/93/27/80/534932780.db2.gz DOCSDTSBGBCSHD-UHFFFAOYSA-N 0 3 279.340 2.135 20 5 CEBDHN C[C@@H](N[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048140 575147522 /nfs/dbraw/zinc/14/75/22/575147522.db2.gz WOJGZJRYJJAEBJ-RNCFNFMXSA-N 0 3 250.298 2.016 20 5 CEBDHN CCN(CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000747387407 575170055 /nfs/dbraw/zinc/17/00/55/575170055.db2.gz WONKMUAHDPEWLS-UHFFFAOYSA-N 0 3 296.323 2.102 20 5 CEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000747958732 575177090 /nfs/dbraw/zinc/17/70/90/575177090.db2.gz BDLQNYKXOIIQLR-GFCCVEGCSA-N 0 3 286.335 2.411 20 5 CEBDHN CC(=O)N1CCC(C)(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000939894780 613803153 /nfs/dbraw/zinc/80/31/53/613803153.db2.gz TVAXGBPYGAWWEV-UHFFFAOYSA-N 0 3 297.380 2.147 20 5 CEBDHN CC(COC(=O)C(F)(F)Cc1ccccc1)[N+](=O)[O-] ZINC000813113818 623067327 /nfs/dbraw/zinc/06/73/27/623067327.db2.gz JNUMSCTVNNTRTB-VIFPVBQESA-N 0 3 273.235 2.073 20 5 CEBDHN COCC(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000167390333 625654396 /nfs/dbraw/zinc/65/43/96/625654396.db2.gz CJOSWOPRTWAYTJ-UHFFFAOYSA-N 0 3 256.277 2.249 20 5 CEBDHN COc1c(O)ccc(CN(C)CC2CC2)c1[N+](=O)[O-] ZINC000891736366 623933615 /nfs/dbraw/zinc/93/36/15/623933615.db2.gz MAHANSPRKAVEBS-UHFFFAOYSA-N 0 3 266.297 2.151 20 5 CEBDHN CC(C)(C)[C@@H]1CSCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000931590599 628706012 /nfs/dbraw/zinc/70/60/12/628706012.db2.gz CRPLTSBICGGOHD-NSHDSACASA-N 0 3 298.412 2.255 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)c1ccncc1CO ZINC000893717560 628979728 /nfs/dbraw/zinc/97/97/28/628979728.db2.gz UAZCLRJGJWZGIA-UHFFFAOYSA-N 0 3 287.319 2.161 20 5 CEBDHN CN1C[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941112 629055856 /nfs/dbraw/zinc/05/58/56/629055856.db2.gz QTLGBMLPDRNZNX-RNCFNFMXSA-N 0 3 281.743 2.389 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN2C)c1C ZINC000895886233 630385581 /nfs/dbraw/zinc/38/55/81/630385581.db2.gz BMOIPBQHXZWKHO-LBPRGKRZSA-N 0 3 291.351 2.036 20 5 CEBDHN CN(CCN1CCCC1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804430090 631681455 /nfs/dbraw/zinc/68/14/55/631681455.db2.gz UROGXGRMZSECRQ-UHFFFAOYSA-N 0 3 294.311 2.035 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@H](O)C2CC2)c1 ZINC000898206597 632086977 /nfs/dbraw/zinc/08/69/77/632086977.db2.gz QULDUBLIHCNOBM-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1c([C@@H](C)NCCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084000 632451172 /nfs/dbraw/zinc/45/11/72/632451172.db2.gz JTSNQKFVAJBMJF-CHWSQXEVSA-N 0 3 294.351 2.359 20 5 CEBDHN CC(COC(=O)/C=C\c1ccccc1F)[N+](=O)[O-] ZINC000813104235 632622305 /nfs/dbraw/zinc/62/23/05/632622305.db2.gz YRGFJENSLYXHCS-NMTCXDENSA-N 0 3 253.229 2.047 20 5 CEBDHN CC(COC(=O)C(C)(C)Cc1ccccc1)[N+](=O)[O-] ZINC000813104814 632622357 /nfs/dbraw/zinc/62/23/57/632622357.db2.gz RXVKFOAIEGDMGC-NSHDSACASA-N 0 3 265.309 2.464 20 5 CEBDHN CC(COC(=O)c1cccc(OC(F)(F)F)c1)[N+](=O)[O-] ZINC000813104644 632622553 /nfs/dbraw/zinc/62/25/53/632622553.db2.gz PLZYBTCDARUTCF-ZETCQYMHSA-N 0 3 293.197 2.407 20 5 CEBDHN CC(COC(=O)[C@H](C)c1c(F)cccc1F)[N+](=O)[O-] ZINC000813104357 632622867 /nfs/dbraw/zinc/62/28/67/632622867.db2.gz ZCXYSPLMMSRMSB-HTQZYQBOSA-N 0 3 273.235 2.277 20 5 CEBDHN COc1ccc2occ(C(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000813105299 632623634 /nfs/dbraw/zinc/62/36/34/632623634.db2.gz XMPGLPYBSZXQFB-MRVPVSSYSA-N 0 3 279.248 2.263 20 5 CEBDHN CC(COC(=O)C(C)(C)COCc1ccccc1)[N+](=O)[O-] ZINC000813107978 632626026 /nfs/dbraw/zinc/62/60/26/632626026.db2.gz SNZVCNOSIFKBNU-LBPRGKRZSA-N 0 3 295.335 2.438 20 5 CEBDHN CCC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112039 632627327 /nfs/dbraw/zinc/62/73/27/632627327.db2.gz MPZXPZZWMFUUAK-SECBINFHSA-N 0 3 265.265 2.101 20 5 CEBDHN CSc1c(F)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112255 632627756 /nfs/dbraw/zinc/62/77/56/632627756.db2.gz DYQMBODTXDKDLE-ZETCQYMHSA-N 0 3 273.285 2.370 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCCC2)[N+](=O)[O-] ZINC000813112136 632627785 /nfs/dbraw/zinc/62/77/85/632627785.db2.gz CDKHYMJVKIWJFT-JTQLQIEISA-N 0 3 263.293 2.387 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)[N+](=O)[O-] ZINC000813111495 632627843 /nfs/dbraw/zinc/62/78/43/632627843.db2.gz IONODVXCMMOBEQ-HLTSFMKQSA-N 0 3 285.246 2.277 20 5 CEBDHN Cc1cccc(OCCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113680 632628220 /nfs/dbraw/zinc/62/82/20/632628220.db2.gz SPYMSQOMWSDGQM-LBPRGKRZSA-N 0 3 281.308 2.362 20 5 CEBDHN CC(COC(=O)c1ccc2ccccc2n1)[N+](=O)[O-] ZINC000813114442 632628250 /nfs/dbraw/zinc/62/82/50/632628250.db2.gz BCRIUAKNJUCCNN-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN Cc1cccc(OCCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113678 632628575 /nfs/dbraw/zinc/62/85/75/632628575.db2.gz SPYMSQOMWSDGQM-GFCCVEGCSA-N 0 3 281.308 2.362 20 5 CEBDHN Cc1cc(OC(F)F)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813113373 632628789 /nfs/dbraw/zinc/62/87/89/632628789.db2.gz ZTBQRYQZYLEKAA-YFKPBYRVSA-N 0 3 295.263 2.480 20 5 CEBDHN Cc1ccc2snc(C(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000816091440 633115495 /nfs/dbraw/zinc/11/54/95/633115495.db2.gz WZCFPULYODSZEF-MRVPVSSYSA-N 0 3 280.305 2.427 20 5 CEBDHN CC(COC(=O)c1ccc(C(C)(C)C)cn1)[N+](=O)[O-] ZINC000817739001 633732937 /nfs/dbraw/zinc/73/29/37/633732937.db2.gz FRVBTEQKDQFMEE-SECBINFHSA-N 0 3 266.297 2.201 20 5 CEBDHN Cc1cccnc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018363 634041706 /nfs/dbraw/zinc/04/17/06/634041706.db2.gz VXEJMFGQBLOYIU-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1cncc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819195162 634100952 /nfs/dbraw/zinc/10/09/52/634100952.db2.gz XRRWUSLRUWCTGK-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN O=[N+]([O-])CCNCCc1ccccc1C(F)(F)F ZINC000905061767 635806772 /nfs/dbraw/zinc/80/67/72/635806772.db2.gz IUARPOWYDDGYHP-UHFFFAOYSA-N 0 3 262.231 2.114 20 5 CEBDHN CC(C)COc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905098647 635815785 /nfs/dbraw/zinc/81/57/85/635815785.db2.gz URXBDFIIVVGYCA-UHFFFAOYSA-N 0 3 266.341 2.130 20 5 CEBDHN CCC(CC)(CNCC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905291695 636193672 /nfs/dbraw/zinc/19/36/72/636193672.db2.gz QZCYOWBTSOSZKB-UHFFFAOYSA-N 0 3 274.361 2.001 20 5 CEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000910296785 638000124 /nfs/dbraw/zinc/00/01/24/638000124.db2.gz QPGTYEJRHRKVIB-LBPRGKRZSA-N 0 3 291.351 2.151 20 5 CEBDHN CC(COC(=O)Cc1cccc(C2CC2)c1)[N+](=O)[O-] ZINC000842362839 640029164 /nfs/dbraw/zinc/02/91/64/640029164.db2.gz ADVYBDDYSHNJCB-SNVBAGLBSA-N 0 3 263.293 2.315 20 5 CEBDHN CCOCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873686 641118063 /nfs/dbraw/zinc/11/80/63/641118063.db2.gz VSDFELSOHXMILD-RNCFNFMXSA-N 0 3 285.271 2.112 20 5 CEBDHN CC([C@@H](OC(=O)C1=COCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879419 641118158 /nfs/dbraw/zinc/11/81/58/641118158.db2.gz VBATXWREKLIPLE-NOZJJQNGSA-N 0 3 295.266 2.379 20 5 CEBDHN CC(COC(=O)C1[C@@H]2CCCCCC[C@@H]12)[N+](=O)[O-] ZINC000851036760 642889779 /nfs/dbraw/zinc/88/97/79/642889779.db2.gz MSVBSVYVGUHJPP-GMTAPVOTSA-N 0 3 255.314 2.411 20 5 CEBDHN COC(=O)C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000851927144 643228157 /nfs/dbraw/zinc/22/81/57/643228157.db2.gz GKAORQOZWSYVHK-LBPRGKRZSA-N 0 3 296.298 2.165 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1COC(C)(C)O1 ZINC000852018152 643267164 /nfs/dbraw/zinc/26/71/64/643267164.db2.gz JDHDFLTVLXYXPR-CQSZACIVSA-N 0 3 294.351 2.221 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(COC2)C1 ZINC000877639106 650829467 /nfs/dbraw/zinc/82/94/67/650829467.db2.gz VDTKTAJLSDPZIZ-UHFFFAOYSA-N 0 3 276.336 2.434 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494682 643314416 /nfs/dbraw/zinc/31/44/16/643314416.db2.gz DKHRMCPAQXRAPI-IAQYHMDHSA-N 0 3 287.319 2.374 20 5 CEBDHN CC[S@@](=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182147 646814926 /nfs/dbraw/zinc/81/49/26/646814926.db2.gz JAZBICRXFLHNST-VBKZILBWSA-N 0 3 296.392 2.330 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](C(F)F)C2)cc1 ZINC000776600661 647077557 /nfs/dbraw/zinc/07/75/57/647077557.db2.gz CSQPGXNHKMBWNZ-ZYHUDNBSSA-N 0 3 286.278 2.215 20 5 CEBDHN CC(C)N1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000930276543 647854116 /nfs/dbraw/zinc/85/41/16/647854116.db2.gz PUJLMQAOZNACBM-AWEZNQCLSA-N 0 3 291.351 2.084 20 5 CEBDHN Cc1c(CNCCOc2cccnc2)cccc1[N+](=O)[O-] ZINC000873050778 649543872 /nfs/dbraw/zinc/54/38/72/649543872.db2.gz SHHOLPWFDKNNJM-UHFFFAOYSA-N 0 3 287.319 2.467 20 5 CEBDHN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc2cc[nH]c2c1 ZINC000879725200 651343742 /nfs/dbraw/zinc/34/37/42/651343742.db2.gz WAGQZZQJIXPKIX-UHFFFAOYSA-N 0 3 299.334 2.405 20 5 CEBDHN CO[C@@H]1COCC[C@@H]1N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435854 651440390 /nfs/dbraw/zinc/44/03/90/651440390.db2.gz WASZQTVTPKIMPR-DZGCQCFKSA-N 0 3 294.351 2.139 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881746979 651872059 /nfs/dbraw/zinc/87/20/59/651872059.db2.gz MZYMWDFRRCFBNH-SECBINFHSA-N 0 3 268.292 2.025 20 5 CEBDHN O=[N+]([O-])c1c(F)nccc1NCCN1CCCCC1 ZINC000881809250 651889630 /nfs/dbraw/zinc/88/96/30/651889630.db2.gz HXPLZKUNEBLQJG-UHFFFAOYSA-N 0 3 268.292 2.027 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000716016548 815014526 /nfs/dbraw/zinc/01/45/26/815014526.db2.gz CTJPBGLPYVYTNK-BXKDBHETSA-N 0 3 293.348 2.436 20 5 CEBDHN NCc1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001168975482 811323522 /nfs/dbraw/zinc/32/35/22/811323522.db2.gz VXQRGIPSCKQQMO-MNOVXSKESA-N 0 3 274.324 2.113 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC1CN(C)C1 ZINC001170254448 812373906 /nfs/dbraw/zinc/37/39/06/812373906.db2.gz LGSJHMYWIQXVGU-UHFFFAOYSA-N 0 3 263.341 2.494 20 5 CEBDHN COc1ccc(C[C@@H](C)NCc2cnco2)c([N+](=O)[O-])c1 ZINC001170308274 812392009 /nfs/dbraw/zinc/39/20/09/812392009.db2.gz MKHGXCSNUKKWPL-SNVBAGLBSA-N 0 3 291.307 2.312 20 5 CEBDHN CC/C=C(\C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124345523 815611106 /nfs/dbraw/zinc/61/11/06/815611106.db2.gz YMOMUHNRLVKMGK-LFYBBSHMSA-N 0 3 291.351 2.157 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1CO ZINC000033394593 361777963 /nfs/dbraw/zinc/77/79/63/361777963.db2.gz HTLIFIOVEGAHAR-ACVFHECNSA-N 0 3 262.309 2.065 20 5 CEBDHN C[C@]1(O)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125017541 187166323 /nfs/dbraw/zinc/16/63/23/187166323.db2.gz OEUWBGSWEKJGEB-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000008318274 343362317 /nfs/dbraw/zinc/36/23/17/343362317.db2.gz KJNCBVOLDHCUOS-GFCCVEGCSA-N 0 3 289.339 2.043 20 5 CEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000047142640 343511853 /nfs/dbraw/zinc/51/18/53/343511853.db2.gz BKARGOYFLFFZBH-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN Cc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000046408820 343498604 /nfs/dbraw/zinc/49/86/04/343498604.db2.gz GWXFLKQQUDIBNT-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2COC[C@@H]2C1 ZINC000601977614 346947842 /nfs/dbraw/zinc/94/78/42/346947842.db2.gz VLIWWAJOUDBFAJ-VDKLAZJHSA-N 0 3 274.320 2.186 20 5 CEBDHN CC[C@H](CNc1ccncc1[N+](=O)[O-])N1CCCC1 ZINC000066808813 343722169 /nfs/dbraw/zinc/72/21/69/343722169.db2.gz FZCYZPAJYVKRRL-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000602027164 346964484 /nfs/dbraw/zinc/96/44/84/346964484.db2.gz DYQSTPUNFSSSFO-DZGCQCFKSA-N 0 3 294.351 2.044 20 5 CEBDHN Cc1cnc(NCCN2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630935 343959090 /nfs/dbraw/zinc/95/90/90/343959090.db2.gz WBYAVXJDTCULPN-LLVKDONJSA-N 0 3 278.356 2.442 20 5 CEBDHN Cn1cc(CN2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602440648 347033552 /nfs/dbraw/zinc/03/35/52/347033552.db2.gz AARFHQAMWQQCAU-CYBMUJFWSA-N 0 3 286.335 2.318 20 5 CEBDHN C[C@@H]1CCC[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438858 347033936 /nfs/dbraw/zinc/03/39/36/347033936.db2.gz BNQLWCANKALZIV-PWSUYJOCSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000125466892 344319272 /nfs/dbraw/zinc/31/92/72/344319272.db2.gz VEEMRZYLOKRYBM-GUTXKFCHSA-N 0 3 276.336 2.106 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](CO)CC2)c1 ZINC000293100755 344690941 /nfs/dbraw/zinc/69/09/41/344690941.db2.gz LBMNUAJWTVILOW-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401228014 344867705 /nfs/dbraw/zinc/86/77/05/344867705.db2.gz YUERJGCYRIMOMJ-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@@H](O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602575340 347084778 /nfs/dbraw/zinc/08/47/78/347084778.db2.gz GDRKPDWWUCIDBL-SSDOTTSWSA-N 0 3 278.230 2.084 20 5 CEBDHN CN1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000589879192 345104099 /nfs/dbraw/zinc/10/40/99/345104099.db2.gz GIVOZDUIXBMXAJ-GFCCVEGCSA-N 0 3 267.354 2.188 20 5 CEBDHN CN1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590011360 345110072 /nfs/dbraw/zinc/11/00/72/345110072.db2.gz INMSSCAQKZWFCI-BXUZGUMPSA-N 0 3 295.770 2.384 20 5 CEBDHN CC[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000591147253 345224365 /nfs/dbraw/zinc/22/43/65/345224365.db2.gz CBROMJOTNRLEBB-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN Cc1cccc(N2CCNC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000591442183 345255839 /nfs/dbraw/zinc/25/58/39/345255839.db2.gz NATOCMKNIGTMDD-CYBMUJFWSA-N 0 3 267.304 2.041 20 5 CEBDHN Cc1cccc(N2CCNC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000591442184 345255890 /nfs/dbraw/zinc/25/58/90/345255890.db2.gz NATOCMKNIGTMDD-ZDUSSCGKSA-N 0 3 267.304 2.041 20 5 CEBDHN N[C@H]1CCCc2cn(Cc3c(F)cccc3[N+](=O)[O-])nc21 ZINC000591686586 345274101 /nfs/dbraw/zinc/27/41/01/345274101.db2.gz CBUKSTWUPFWTIC-LBPRGKRZSA-N 0 3 290.298 2.315 20 5 CEBDHN CC[C@@H](C)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000592374822 345347575 /nfs/dbraw/zinc/34/75/75/345347575.db2.gz LLTWUEHIXUAGPG-DGCLKSJQSA-N 0 3 266.341 2.482 20 5 CEBDHN NC(=O)c1ccc(CNC2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593078842 345434529 /nfs/dbraw/zinc/43/45/29/345434529.db2.gz CBVRNDPHRPBAMR-UHFFFAOYSA-N 0 3 289.335 2.116 20 5 CEBDHN C[C@@H](CO)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593081367 345434804 /nfs/dbraw/zinc/43/48/04/345434804.db2.gz CQXADLRGPZGHDM-LBPRGKRZSA-N 0 3 278.352 2.435 20 5 CEBDHN CN(CCN1CCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000593884654 345548392 /nfs/dbraw/zinc/54/83/92/345548392.db2.gz VNPVEGATOWXCMZ-UHFFFAOYSA-N 0 3 297.380 2.214 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(CO)CCC1 ZINC000594500384 345639279 /nfs/dbraw/zinc/63/92/79/345639279.db2.gz LPOHRKTYCAVAFA-CYBMUJFWSA-N 0 3 276.336 2.334 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000594506573 345639634 /nfs/dbraw/zinc/63/96/34/345639634.db2.gz CFWIOCFFWFIHPU-BWUZBNCSSA-N 0 3 274.320 2.492 20 5 CEBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594599912 345656158 /nfs/dbraw/zinc/65/61/58/345656158.db2.gz KFNCHINTIGEISU-NEPJUHHUSA-N 0 3 276.340 2.419 20 5 CEBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594599913 345656351 /nfs/dbraw/zinc/65/63/51/345656351.db2.gz KFNCHINTIGEISU-NWDGAFQWSA-N 0 3 276.340 2.419 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC(O)(C2CC2)C2CC2)cs1 ZINC000594983552 345721514 /nfs/dbraw/zinc/72/15/14/345721514.db2.gz PQTXTDFSPXYLOQ-UHFFFAOYSA-N 0 3 282.365 2.297 20 5 CEBDHN CC[C@]1(NCc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595462231 345789035 /nfs/dbraw/zinc/78/90/35/345789035.db2.gz SDUFFMYPIHUVKE-ZDUSSCGKSA-N 0 3 268.288 2.393 20 5 CEBDHN CCCN(CCN1CCCC1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595490093 345794622 /nfs/dbraw/zinc/79/46/22/345794622.db2.gz CRKJTTPXLVQLPJ-UHFFFAOYSA-N 0 3 296.371 2.199 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595731399 345861767 /nfs/dbraw/zinc/86/17/67/345861767.db2.gz FRSIKEQCCJTZEU-GHMZBOCLSA-N 0 3 264.325 2.044 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000595827046 345887353 /nfs/dbraw/zinc/88/73/53/345887353.db2.gz KWHBKEHKNMERNX-QWHCGFSZSA-N 0 3 262.309 2.063 20 5 CEBDHN COc1ccc(OCCN2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595808947 345881040 /nfs/dbraw/zinc/88/10/40/345881040.db2.gz PJQXIGAABYYBRN-VXGBXAGGSA-N 0 3 292.335 2.324 20 5 CEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595873244 345902887 /nfs/dbraw/zinc/90/28/87/345902887.db2.gz KWGCBLJJGUSPHA-FZMZJTMJSA-N 0 3 264.325 2.045 20 5 CEBDHN C[N@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596090300 345937303 /nfs/dbraw/zinc/93/73/03/345937303.db2.gz ORSNCGCGQFQRAZ-UHFFFAOYSA-N 0 3 294.355 2.372 20 5 CEBDHN C[N@@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596090300 345937304 /nfs/dbraw/zinc/93/73/04/345937304.db2.gz ORSNCGCGQFQRAZ-UHFFFAOYSA-N 0 3 294.355 2.372 20 5 CEBDHN CC(C)[N@@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596096006 345939514 /nfs/dbraw/zinc/93/95/14/345939514.db2.gz SXEUIEWJYQJRSI-NSHDSACASA-N 0 3 294.355 2.228 20 5 CEBDHN CC(C)[N@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596096006 345939515 /nfs/dbraw/zinc/93/95/15/345939515.db2.gz SXEUIEWJYQJRSI-NSHDSACASA-N 0 3 294.355 2.228 20 5 CEBDHN Cc1cc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000596277172 345989739 /nfs/dbraw/zinc/98/97/39/345989739.db2.gz AWOGCQMSPKXOBY-SNVBAGLBSA-N 0 3 269.370 2.495 20 5 CEBDHN COC[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295121713 199357339 /nfs/dbraw/zinc/35/73/39/199357339.db2.gz NIRHVJKZBDDOPN-AWEZNQCLSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1cnn(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178223682 232369216 /nfs/dbraw/zinc/36/92/16/232369216.db2.gz RNCRCBAHEMQMNS-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(COC2)C1 ZINC000597229565 346155357 /nfs/dbraw/zinc/15/53/57/346155357.db2.gz MKSOYTZVKYFBEY-HWKANZROSA-N 0 3 274.320 2.330 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000597231105 346156142 /nfs/dbraw/zinc/15/61/42/346156142.db2.gz NNYLBEHMMNYRHU-UONOGXRCSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597237062 346158276 /nfs/dbraw/zinc/15/82/76/346158276.db2.gz WIOMLMSYTJLQER-SWLSCSKDSA-N 0 3 278.352 2.354 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(F)F ZINC000295130719 199361592 /nfs/dbraw/zinc/36/15/92/199361592.db2.gz YAPSPAWBPYHJOE-NEPJUHHUSA-N 0 3 288.294 2.397 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC)C1 ZINC000598040478 346274505 /nfs/dbraw/zinc/27/45/05/346274505.db2.gz GCMDHXCGNSYUIG-AWEZNQCLSA-N 0 3 291.351 2.151 20 5 CEBDHN CCCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351360 362718322 /nfs/dbraw/zinc/71/83/22/362718322.db2.gz ATSDRTRJAIOINI-CYBMUJFWSA-N 0 3 252.314 2.360 20 5 CEBDHN CCO[C@@]1(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000598996339 346444375 /nfs/dbraw/zinc/44/43/75/346444375.db2.gz GPLCULAUYFTSMK-OLZOCXBDSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1cc(NC[C@@H]2CCN2C2CCCC2)ncc1[N+](=O)[O-] ZINC000599166602 346471384 /nfs/dbraw/zinc/47/13/84/346471384.db2.gz YMGBEHSUQDHLRK-ZDUSSCGKSA-N 0 3 290.367 2.149 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1C[C@@H](O)C1 ZINC000599671904 346559401 /nfs/dbraw/zinc/55/94/01/346559401.db2.gz KOWMJVQDMAZTDF-UTUOFQBUSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCN(CC2CC2)C1 ZINC000601116392 346758028 /nfs/dbraw/zinc/75/80/28/346758028.db2.gz SLFACRXKKXVXSW-LLVKDONJSA-N 0 3 280.303 2.025 20 5 CEBDHN CN(C)CCSc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128047 346762469 /nfs/dbraw/zinc/76/24/69/346762469.db2.gz ZPXVQIOVBVHJGJ-UHFFFAOYSA-N 0 3 298.290 2.001 20 5 CEBDHN C[C@@H](NC[C@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812417 365852052 /nfs/dbraw/zinc/85/20/52/365852052.db2.gz AFRYOVYJMILNAX-YGRLFVJLSA-N 0 3 264.325 2.406 20 5 CEBDHN CCC[C@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236920059 370654972 /nfs/dbraw/zinc/65/49/72/370654972.db2.gz RJEGIFBLXKWDTE-PWSUYJOCSA-N 0 3 279.340 2.208 20 5 CEBDHN COCCC1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602706817 347161375 /nfs/dbraw/zinc/16/13/75/347161375.db2.gz MOCRKHHYFVPYJI-UHFFFAOYSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CCF)C1 ZINC000602894417 347241093 /nfs/dbraw/zinc/24/10/93/347241093.db2.gz GQWPCMNSKHHFJF-GFCCVEGCSA-N 0 3 284.335 2.171 20 5 CEBDHN COCCCCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965621 347258288 /nfs/dbraw/zinc/25/82/88/347258288.db2.gz KBXPGFYFZXZELD-OAHLLOKOSA-N 0 3 296.367 2.209 20 5 CEBDHN Cc1nn(CCN2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603327741 347338750 /nfs/dbraw/zinc/33/87/50/347338750.db2.gz QPUUPEXSNPMXMC-UHFFFAOYSA-N 0 3 289.339 2.134 20 5 CEBDHN CC[C@@H](N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186105 347303332 /nfs/dbraw/zinc/30/33/32/347303332.db2.gz OXUOQBNPAZQHNR-BXKDBHETSA-N 0 3 275.312 2.205 20 5 CEBDHN CC[C@H](N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218950 347311920 /nfs/dbraw/zinc/31/19/20/347311920.db2.gz OGJMYPVVEUEPDS-ONGXEEELSA-N 0 3 275.312 2.205 20 5 CEBDHN C[C@H]1COCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610990632 347727377 /nfs/dbraw/zinc/72/73/77/347727377.db2.gz DKZDLSHWKWKVBO-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092216 347738728 /nfs/dbraw/zinc/73/87/28/347738728.db2.gz LSZBKZAKUYMKFY-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2CN(C)C)n1 ZINC000611617139 347799878 /nfs/dbraw/zinc/79/98/78/347799878.db2.gz JNGVUJFVDMWWBE-GFCCVEGCSA-N 0 3 278.356 2.137 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000351935809 219254758 /nfs/dbraw/zinc/25/47/58/219254758.db2.gz NTTOPIDOBPPQQV-NEPJUHHUSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1c(CN2C[C@H](C)N(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000351952128 219263408 /nfs/dbraw/zinc/26/34/08/219263408.db2.gz RCRJLLUFIVRNPP-NWDGAFQWSA-N 0 3 277.368 2.428 20 5 CEBDHN COc1cc(CN2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000351983320 219274527 /nfs/dbraw/zinc/27/45/27/219274527.db2.gz IJLYOQLZNKRSBD-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@]1(NC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000339505047 215215753 /nfs/dbraw/zinc/21/57/53/215215753.db2.gz LAEAXPJJSZBCAX-SDQPKGBYSA-N 0 3 262.309 2.377 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCCC2)C1 ZINC000090551224 180002401 /nfs/dbraw/zinc/00/24/01/180002401.db2.gz PAYKMUFPPBLVAI-UHFFFAOYSA-N 0 3 291.351 2.023 20 5 CEBDHN Cc1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000271305622 191063803 /nfs/dbraw/zinc/06/38/03/191063803.db2.gz VNZSSZJTIRZDEV-UKRRQHHQSA-N 0 3 278.352 2.496 20 5 CEBDHN NC(=O)CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339713367 215311749 /nfs/dbraw/zinc/31/17/49/215311749.db2.gz ZXTBZZFREFVHCU-GFCCVEGCSA-N 0 3 291.351 2.072 20 5 CEBDHN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000271403404 191118616 /nfs/dbraw/zinc/11/86/16/191118616.db2.gz WEXOUWWWNQGAMO-VQOXYXNASA-N 0 3 276.336 2.311 20 5 CEBDHN CC[C@H](N[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131200686 366029727 /nfs/dbraw/zinc/02/97/27/366029727.db2.gz MJEKYZMSVIYCCA-YPMHNXCESA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000122827835 187054172 /nfs/dbraw/zinc/05/41/72/187054172.db2.gz LUCMONSOIVSWGF-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1 ZINC000271449123 191143915 /nfs/dbraw/zinc/14/39/15/191143915.db2.gz RPIMOYZVHDLCEU-CQSZACIVSA-N 0 3 292.335 2.370 20 5 CEBDHN CCN(CCCN1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000192547227 539890362 /nfs/dbraw/zinc/89/03/62/539890362.db2.gz JIBLUTKKTPSTGS-UHFFFAOYSA-N 0 3 284.385 2.364 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889186 188110038 /nfs/dbraw/zinc/11/00/38/188110038.db2.gz GOQBRZOWIKUVHM-QWRGUYRKSA-N 0 3 282.340 2.415 20 5 CEBDHN Cc1cnc(OCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000157923443 188347054 /nfs/dbraw/zinc/34/70/54/188347054.db2.gz GQTUXQWMSZYPMW-UHFFFAOYSA-N 0 3 279.340 2.409 20 5 CEBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000132629365 366159118 /nfs/dbraw/zinc/15/91/18/366159118.db2.gz HKOUAYRRDWSOHW-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN CC[C@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132757164 366168800 /nfs/dbraw/zinc/16/88/00/366168800.db2.gz ZYXBFGUSNXFCQQ-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CCCO)C1 ZINC000452134822 283199600 /nfs/dbraw/zinc/19/96/00/283199600.db2.gz VFOCZQFCOODDBU-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN CS[C@@H]1CCCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134591427 366343954 /nfs/dbraw/zinc/34/39/54/366343954.db2.gz VLZSJDBDDLPDQN-GFCCVEGCSA-N 0 3 284.385 2.009 20 5 CEBDHN CCN(CC)CCSc1ncc([N+](=O)[O-])c(C)n1 ZINC000297094819 200083790 /nfs/dbraw/zinc/08/37/90/200083790.db2.gz KVOHVRVKKXQQBI-UHFFFAOYSA-N 0 3 270.358 2.127 20 5 CEBDHN Cc1cc([N+](=O)[O-])cn(C[C@H]2CCCCN2C(C)C)c1=O ZINC000339114704 366659761 /nfs/dbraw/zinc/65/97/61/366659761.db2.gz UGPFJOOKGNWDKH-CYBMUJFWSA-N 0 3 293.367 2.328 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@]1(O)CCSC1 ZINC000176750649 189007568 /nfs/dbraw/zinc/00/75/68/189007568.db2.gz OFFKCRSCSKKNIH-KQIUPUNMSA-N 0 3 294.376 2.066 20 5 CEBDHN Cc1c([C@@H](C)NC[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397949 283552598 /nfs/dbraw/zinc/55/25/98/283552598.db2.gz KFIXXGXCXQFBJW-ABAIWWIYSA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000453400691 283554271 /nfs/dbraw/zinc/55/42/71/283554271.db2.gz CRJTVVOOGSPLSC-MPKXVKKWSA-N 0 3 264.325 2.467 20 5 CEBDHN C[C@H](NCCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178591169 189128928 /nfs/dbraw/zinc/12/89/28/189128928.db2.gz QJUWFQZXZTWZSR-NSHDSACASA-N 0 3 293.323 2.088 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241512 216274734 /nfs/dbraw/zinc/27/47/34/216274734.db2.gz ZSFWGFKXZNFDJW-RKDXNWHRSA-N 0 3 272.251 2.347 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@](C)(O)C1 ZINC000183361709 189356451 /nfs/dbraw/zinc/35/64/51/189356451.db2.gz ZRMCZIWFEOJNSV-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC[C@@H](C)O ZINC000183355138 189356727 /nfs/dbraw/zinc/35/67/27/189356727.db2.gz ADMAZXYLSVONQS-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1ccc(NC(=O)[C@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000019476571 361536658 /nfs/dbraw/zinc/53/66/58/361536658.db2.gz CSEGGGPRAIZKRN-LLVKDONJSA-N 0 3 265.313 2.215 20 5 CEBDHN Cc1ccc(CNC[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000089164943 363944370 /nfs/dbraw/zinc/94/43/70/363944370.db2.gz FQIYHTXUGFWBOU-GXTWGEPZSA-N 0 3 264.325 2.154 20 5 CEBDHN C[C@@H](CN(C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582191978 366877951 /nfs/dbraw/zinc/87/79/51/366877951.db2.gz SKCUJASBPYXVOQ-GXFFZTMASA-N 0 3 263.341 2.122 20 5 CEBDHN C[C@H](SCCN(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120238813 365394357 /nfs/dbraw/zinc/39/43/57/365394357.db2.gz CNVJLJJPPYTOEK-JTQLQIEISA-N 0 3 297.380 2.217 20 5 CEBDHN CCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000340861369 367064175 /nfs/dbraw/zinc/06/41/75/367064175.db2.gz ARTBFBYOEFTRQM-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000584520293 367167518 /nfs/dbraw/zinc/16/75/18/367167518.db2.gz NVWAGKJCTJUFRA-WDEREUQCSA-N 0 3 286.335 2.330 20 5 CEBDHN CC1(C)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000170872739 367438630 /nfs/dbraw/zinc/43/86/30/367438630.db2.gz PHSSUSJKFUXZAL-UHFFFAOYSA-N 0 3 277.324 2.068 20 5 CEBDHN CC[C@@H](C)CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171949311 367645831 /nfs/dbraw/zinc/64/58/31/367645831.db2.gz BJWJWWSXPLRAEJ-SNVBAGLBSA-N 0 3 279.340 2.172 20 5 CEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000172621687 367789887 /nfs/dbraw/zinc/78/98/87/367789887.db2.gz ZSCJTPTVTUVVKY-KOLCDFICSA-N 0 3 297.380 2.211 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343439096 367815747 /nfs/dbraw/zinc/81/57/47/367815747.db2.gz IWYNEVFAVHLLCF-FZMZJTMJSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccnc(N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343473761 367836044 /nfs/dbraw/zinc/83/60/44/367836044.db2.gz LDCZBHIAQWMQFO-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN COC[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245219 368001285 /nfs/dbraw/zinc/00/12/85/368001285.db2.gz LMSZFQBIVSIQBT-LBPRGKRZSA-N 0 3 294.351 2.473 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCCc3ccccc3C2)n1 ZINC000176235986 368215875 /nfs/dbraw/zinc/21/58/75/368215875.db2.gz ZZOMKTCVCZRFPG-UHFFFAOYSA-N 0 3 286.335 2.240 20 5 CEBDHN COCC(C)(C)NCc1ccc([N+](=O)[O-])cc1C ZINC000183458667 368627964 /nfs/dbraw/zinc/62/79/64/368627964.db2.gz FCGVPVRWVKCCDU-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338680 368642238 /nfs/dbraw/zinc/64/22/38/368642238.db2.gz RTZLZVDSFJFWJQ-BIHWCFTKSA-N 0 3 288.347 2.311 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246160419 370918871 /nfs/dbraw/zinc/91/88/71/370918871.db2.gz QKJXKNAAWCYVEV-CHWSQXEVSA-N 0 3 296.396 2.151 20 5 CEBDHN C/C=C/C[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185827207 368868955 /nfs/dbraw/zinc/86/89/55/368868955.db2.gz OVVNQWWXKIIAGI-AAOUONPWSA-N 0 3 280.324 2.020 20 5 CEBDHN Cc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000186775761 369040059 /nfs/dbraw/zinc/04/00/59/369040059.db2.gz ZHHQLALUGQOXHB-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000348557361 369088751 /nfs/dbraw/zinc/08/87/51/369088751.db2.gz QJWGQHXBUGUYHO-ZWXLGZMVSA-N 0 3 276.336 2.453 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[C@@H](O)C2)c1 ZINC000188831156 369415558 /nfs/dbraw/zinc/41/55/58/369415558.db2.gz JXPJEISIJXNIRP-JOYOIKCWSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1ccc(CN(C)CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000188956355 369434402 /nfs/dbraw/zinc/43/44/02/369434402.db2.gz PDQCHACRBPTXJW-UHFFFAOYSA-N 0 3 264.325 2.108 20 5 CEBDHN CC1(C)[C@H](O)C[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000189332785 369498791 /nfs/dbraw/zinc/49/87/91/369498791.db2.gz SVFWZKMDGWBPQQ-VTGPQGOBSA-N 0 3 276.336 2.357 20 5 CEBDHN Cc1c(CN2CC[C@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000189738988 369565346 /nfs/dbraw/zinc/56/53/46/369565346.db2.gz LKECSDPFFWJKFQ-HZMBPMFUSA-N 0 3 264.325 2.106 20 5 CEBDHN COCC(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407532 369716141 /nfs/dbraw/zinc/71/61/41/369716141.db2.gz VDNRVXVTKSUILO-UHFFFAOYSA-N 0 3 268.313 2.118 20 5 CEBDHN COCCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352426757 369727332 /nfs/dbraw/zinc/72/73/32/369727332.db2.gz XURPIKVNTUUVQH-UHFFFAOYSA-N 0 3 268.313 2.072 20 5 CEBDHN CN(C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])s1 ZINC000192488929 369818753 /nfs/dbraw/zinc/81/87/53/369818753.db2.gz QOTTZCMGYCOJFT-UHFFFAOYSA-N 0 3 296.352 2.213 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCCCO ZINC000192907736 369870704 /nfs/dbraw/zinc/87/07/04/369870704.db2.gz VGDWFWLMDIBTAE-UHFFFAOYSA-N 0 3 282.340 2.246 20 5 CEBDHN COc1ccc(CN[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000193112752 369894542 /nfs/dbraw/zinc/89/45/42/369894542.db2.gz JNZDUHDUAFMTTN-CYBMUJFWSA-N 0 3 282.340 2.100 20 5 CEBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCCC1 ZINC000195508713 370134980 /nfs/dbraw/zinc/13/49/80/370134980.db2.gz MYJCEGFIPILKMG-VIFPVBQESA-N 0 3 270.358 2.338 20 5 CEBDHN C[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889876 370228314 /nfs/dbraw/zinc/22/83/14/370228314.db2.gz WYFLWYDSIGQTRC-WCBMZHEXSA-N 0 3 256.327 2.313 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000354433220 370361277 /nfs/dbraw/zinc/36/12/77/370361277.db2.gz APLUNQYFHIHEFK-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000227346985 370367293 /nfs/dbraw/zinc/36/72/93/370367293.db2.gz OFCCCWYWUQQDGD-UHFFFAOYSA-N 0 3 258.343 2.295 20 5 CEBDHN COC[C@@H](CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715811 370382680 /nfs/dbraw/zinc/38/26/80/370382680.db2.gz RWPYRSGTSVKYQQ-DGCLKSJQSA-N 0 3 282.340 2.215 20 5 CEBDHN Cc1ccc(CNCCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000227959490 370389439 /nfs/dbraw/zinc/38/94/39/370389439.db2.gz NRJLKGRVYVORFX-NSHDSACASA-N 0 3 252.314 2.154 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000287303865 376201014 /nfs/dbraw/zinc/20/10/14/376201014.db2.gz JDZLUOWDZOPVIG-JTQLQIEISA-N 0 3 270.304 2.327 20 5 CEBDHN COc1ccc(CNCC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000231399202 370479522 /nfs/dbraw/zinc/47/95/22/370479522.db2.gz HYJZOGKAXKWSHE-UHFFFAOYSA-N 0 3 282.340 2.102 20 5 CEBDHN CN(CCCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000231730113 370492083 /nfs/dbraw/zinc/49/20/83/370492083.db2.gz YMNFDISACNCZPU-UHFFFAOYSA-N 0 3 252.314 2.189 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)[C@@H](C)C1 ZINC000249528147 371331459 /nfs/dbraw/zinc/33/14/59/371331459.db2.gz AFAMZDGKFBJNBN-FZMZJTMJSA-N 0 3 264.325 2.106 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H](C)O ZINC000361008805 371596414 /nfs/dbraw/zinc/59/64/14/371596414.db2.gz HHYMVISRRBAOCC-SEVUFMINSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@]1(O)CCSC1 ZINC000255906380 371598326 /nfs/dbraw/zinc/59/83/26/371598326.db2.gz OFFKCRSCSKKNIH-PKXJPQMGSA-N 0 3 294.376 2.066 20 5 CEBDHN CCc1cnccc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000361133659 371670540 /nfs/dbraw/zinc/67/05/40/371670540.db2.gz YVISBZPOSSAUQE-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361239660 371733383 /nfs/dbraw/zinc/73/33/83/371733383.db2.gz WUSPXAWWZJNPGU-ZDUSSCGKSA-N 0 3 250.298 2.206 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000361152111 371683124 /nfs/dbraw/zinc/68/31/24/371683124.db2.gz HZXDHLUXZXOPDG-QWHCGFSZSA-N 0 3 277.368 2.428 20 5 CEBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000361482364 371868779 /nfs/dbraw/zinc/86/87/79/371868779.db2.gz XDHHNWNNKMZWOL-UHFFFAOYSA-N 0 3 291.351 2.316 20 5 CEBDHN C[C@@H]1CCC[C@H](CO)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692217 372536475 /nfs/dbraw/zinc/53/64/75/372536475.db2.gz IVWPCZOOXDLFGR-TZMCWYRMSA-N 0 3 294.351 2.209 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCOC1 ZINC000344811662 217319761 /nfs/dbraw/zinc/31/97/61/217319761.db2.gz MKYKACUTAUZNEU-HJTPGIPUSA-N 0 3 262.309 2.377 20 5 CEBDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1 ZINC000366617513 373093117 /nfs/dbraw/zinc/09/31/17/373093117.db2.gz DNRMHSUJNMHTJX-YIONKMFJSA-N 0 3 276.336 2.473 20 5 CEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](O)C2)o1 ZINC000271056126 373095246 /nfs/dbraw/zinc/09/52/46/373095246.db2.gz ZMFVITPWYOHNOC-LLVKDONJSA-N 0 3 288.303 2.421 20 5 CEBDHN CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272068292 373291600 /nfs/dbraw/zinc/29/16/00/373291600.db2.gz DWAQICWQZAFHBA-BXUZGUMPSA-N 0 3 293.367 2.358 20 5 CEBDHN C[C@H](O)[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272515622 373528824 /nfs/dbraw/zinc/52/88/24/373528824.db2.gz GTRMKUMYXLAOKE-GVXVVHGQSA-N 0 3 264.325 2.359 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000272765859 373649710 /nfs/dbraw/zinc/64/97/10/373649710.db2.gz DGANFCNWMAPAFE-LLVKDONJSA-N 0 3 252.314 2.452 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)C ZINC000274304689 373872063 /nfs/dbraw/zinc/87/20/63/373872063.db2.gz VBQZUZXRODJEAM-NSHDSACASA-N 0 3 294.355 2.283 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000277631602 374586109 /nfs/dbraw/zinc/58/61/09/374586109.db2.gz CFQRYXJLLXVMPV-WCBMZHEXSA-N 0 3 256.327 2.171 20 5 CEBDHN Cc1cnc(N(CCN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000277829012 374659478 /nfs/dbraw/zinc/65/94/78/374659478.db2.gz RBGOCIUOXPZGLY-UHFFFAOYSA-N 0 3 266.345 2.075 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000278399861 374805315 /nfs/dbraw/zinc/80/53/15/374805315.db2.gz FOOBPQSPNJMSJR-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COC[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282488784 375497625 /nfs/dbraw/zinc/49/76/25/375497625.db2.gz PQBSHJNMJJBLHG-LLVKDONJSA-N 0 3 252.314 2.104 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC000283280040 375686031 /nfs/dbraw/zinc/68/60/31/375686031.db2.gz XEQKTMBQJFOOSM-FZMZJTMJSA-N 0 3 282.315 2.327 20 5 CEBDHN CCN1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283454226 375709428 /nfs/dbraw/zinc/70/94/28/375709428.db2.gz HNRUBMFEDNTRHD-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414531712 375839884 /nfs/dbraw/zinc/83/98/84/375839884.db2.gz SCPCZIABWACTDU-DOMZBBRYSA-N 0 3 296.367 2.489 20 5 CEBDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]3C2 ZINC000286299284 375904638 /nfs/dbraw/zinc/90/46/38/375904638.db2.gz CJJZIFHTIAYQBE-YERCRUGSSA-N 0 3 288.347 2.450 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414581698 375866672 /nfs/dbraw/zinc/86/66/72/375866672.db2.gz RCKPLBPKTUUMKS-JSGCOSHPSA-N 0 3 278.352 2.496 20 5 CEBDHN CCN1CCN(Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286616693 376013921 /nfs/dbraw/zinc/01/39/21/376013921.db2.gz RUIZTSQXJGPCIQ-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000287431201 376231592 /nfs/dbraw/zinc/23/15/92/376231592.db2.gz POSMWKSPYGDAEC-LLVKDONJSA-N 0 3 252.314 2.188 20 5 CEBDHN CCN(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263801518 190079588 /nfs/dbraw/zinc/07/95/88/190079588.db2.gz ZGROPQBGCWBOST-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN CO[C@@H](C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289985358 376588133 /nfs/dbraw/zinc/58/81/33/376588133.db2.gz ZXZKRCGOSNPGNI-NSHDSACASA-N 0 3 252.314 2.370 20 5 CEBDHN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000559761203 376691966 /nfs/dbraw/zinc/69/19/66/376691966.db2.gz YHCLYCACVCQVIO-UHFFFAOYSA-N 0 3 277.368 2.163 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@H]2CCOC2)c(F)c1 ZINC000311958027 376696398 /nfs/dbraw/zinc/69/63/98/376696398.db2.gz ISJQUNPLOCLILB-JTQLQIEISA-N 0 3 268.288 2.250 20 5 CEBDHN C[C@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000290732608 376901114 /nfs/dbraw/zinc/90/11/14/376901114.db2.gz GCNWCOVOOMCKEE-GXSJLCMTSA-N 0 3 276.340 2.214 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000330579210 377192191 /nfs/dbraw/zinc/19/21/91/377192191.db2.gz ICIHECCDXWNSND-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CCCO1 ZINC000563638712 377271568 /nfs/dbraw/zinc/27/15/68/377271568.db2.gz SCDXNFCYGKKELG-ZWNOBZJWSA-N 0 3 262.309 2.351 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCOC1(C)C ZINC000293577559 377638403 /nfs/dbraw/zinc/63/84/03/377638403.db2.gz DTLPWJUEBWQMGW-ZDUSSCGKSA-N 0 3 280.324 2.261 20 5 CEBDHN CN(CC[C@@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000437578331 377852968 /nfs/dbraw/zinc/85/29/68/377852968.db2.gz OAEQCJXNWXBSBR-GFCCVEGCSA-N 0 3 264.325 2.453 20 5 CEBDHN COC[C@@]1(C)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296562005 378575821 /nfs/dbraw/zinc/57/58/21/378575821.db2.gz CNEWBGVTDZEVMG-HNNXBMFYSA-N 0 3 294.351 2.332 20 5 CEBDHN Cc1c(CN2CCC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000296444394 378534781 /nfs/dbraw/zinc/53/47/81/378534781.db2.gz WRGDQISWEOTJTF-BXUZGUMPSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@H](NC[C@H](O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000296737178 378633525 /nfs/dbraw/zinc/63/35/25/378633525.db2.gz OPHSFBUXBAHAMA-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN COCC(COC)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453366048 378876488 /nfs/dbraw/zinc/87/64/88/378876488.db2.gz WVQMLHZSSNNMMS-OAHLLOKOSA-N 0 3 294.351 2.223 20 5 CEBDHN CON1CCC(N(C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000453600366 378918714 /nfs/dbraw/zinc/91/87/14/378918714.db2.gz DTXWJZQKKCYTJQ-UHFFFAOYSA-N 0 3 293.367 2.361 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772988 190279641 /nfs/dbraw/zinc/27/96/41/190279641.db2.gz KEFOSBNSPSCILS-ABAIWWIYSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@@]1(CO)CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000304314890 379553524 /nfs/dbraw/zinc/55/35/24/379553524.db2.gz KZGJKTNEQTZAMV-KBPBESRZSA-N 0 3 264.325 2.236 20 5 CEBDHN COc1ccc(CNCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525800448 379671870 /nfs/dbraw/zinc/67/18/70/379671870.db2.gz HRFXMKWBURQQIM-GFCCVEGCSA-N 0 3 293.367 2.035 20 5 CEBDHN C[C@@H]1C[C@@H]1N1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738899 380127635 /nfs/dbraw/zinc/12/76/35/380127635.db2.gz ZVUJQBNTFLVRJM-SCRDCRAPSA-N 0 3 290.367 2.156 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)C(N)=O ZINC000540469196 380251818 /nfs/dbraw/zinc/25/18/18/380251818.db2.gz JFFUGUAGVDZBGC-SNVBAGLBSA-N 0 3 279.340 2.065 20 5 CEBDHN C[C@H](NCCOC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481197 380253767 /nfs/dbraw/zinc/25/37/67/380253767.db2.gz WOVUVLPZFHWXDE-QWHCGFSZSA-N 0 3 294.351 2.441 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCCC2)cc1F ZINC000289411926 197334550 /nfs/dbraw/zinc/33/45/50/197334550.db2.gz BDILOQQRGQSHCX-CYBMUJFWSA-N 0 3 282.315 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCCN(C3CC3)CC2)cc1 ZINC000171831591 285122677 /nfs/dbraw/zinc/12/26/77/285122677.db2.gz XBDXOBXTLAYIKK-UHFFFAOYSA-N 0 3 261.325 2.269 20 5 CEBDHN CN1CC=C(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350284555 219004636 /nfs/dbraw/zinc/00/46/36/219004636.db2.gz BQJBQMAPWJYCKX-UHFFFAOYSA-N 0 3 279.315 2.085 20 5 CEBDHN CSC1(CNc2ncccc2[N+](=O)[O-])CCN(C)CC1 ZINC000357587231 533514088 /nfs/dbraw/zinc/51/40/88/533514088.db2.gz RUPZPCYUEYLHKY-UHFFFAOYSA-N 0 3 296.396 2.229 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2CCO)cs1 ZINC000189958718 130043618 /nfs/dbraw/zinc/04/36/18/130043618.db2.gz FQYAHBPBEPPGIB-WDEREUQCSA-N 0 3 270.354 2.297 20 5 CEBDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252733398 131138243 /nfs/dbraw/zinc/13/82/43/131138243.db2.gz ZEIDCQJEQBOXRM-XCJKDKRRSA-N 0 3 284.381 2.403 20 5 CEBDHN Cc1cc(N2CC(N(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302116167 394472841 /nfs/dbraw/zinc/47/28/41/394472841.db2.gz CUAFECFBSNNRPP-UHFFFAOYSA-N 0 3 286.335 2.202 20 5 CEBDHN CCN(C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413087838 394481018 /nfs/dbraw/zinc/48/10/18/394481018.db2.gz SSBOSSASTQTBDZ-UHFFFAOYSA-N 0 3 292.261 2.372 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000237482972 394492237 /nfs/dbraw/zinc/49/22/37/394492237.db2.gz SNGMSDVFVZWCPK-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272249947 394769602 /nfs/dbraw/zinc/76/96/02/394769602.db2.gz YBBGAANEJSETNB-WFASDCNBSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000340107592 394979245 /nfs/dbraw/zinc/97/92/45/394979245.db2.gz YTABNPWZCXSXRD-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN C[C@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCCN1C ZINC000343455510 395039126 /nfs/dbraw/zinc/03/91/26/395039126.db2.gz JDTSJYKZOIWQFY-IUCAKERBSA-N 0 3 295.368 2.199 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC[C@H]1C ZINC000350003345 395178233 /nfs/dbraw/zinc/17/82/33/395178233.db2.gz ADONKDCJYPGHEV-CYBMUJFWSA-N 0 3 277.368 2.429 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000181055034 395208794 /nfs/dbraw/zinc/20/87/94/395208794.db2.gz MKCABWDLNVXPSP-OSMZGAPFSA-N 0 3 264.325 2.467 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)n1 ZINC000420637843 395396919 /nfs/dbraw/zinc/39/69/19/395396919.db2.gz PBFHWPWEDUTOSM-GFCCVEGCSA-N 0 3 278.356 2.137 20 5 CEBDHN COc1ccc(CN[C@@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955222 395344737 /nfs/dbraw/zinc/34/47/37/395344737.db2.gz SHYUFXCCIKNLAF-NEPJUHHUSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1cc([N+](=O)[O-])cn(CCN2C[C@H](C)C[C@H](C)C2)c1=O ZINC000567915916 395542487 /nfs/dbraw/zinc/54/24/87/395542487.db2.gz BTRYFZGVQLPCCP-TXEJJXNPSA-N 0 3 293.367 2.043 20 5 CEBDHN C[C@H]1C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850177 395500833 /nfs/dbraw/zinc/50/08/33/395500833.db2.gz WLPHZYAIJUGZTQ-DTWKUNHWSA-N 0 3 260.297 2.217 20 5 CEBDHN CS[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451320529 395606170 /nfs/dbraw/zinc/60/61/70/395606170.db2.gz LPJSBXMXKMUWRD-ZDUSSCGKSA-N 0 3 282.365 2.411 20 5 CEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000449579484 395555239 /nfs/dbraw/zinc/55/52/39/395555239.db2.gz GOOUBSDTYTWVCF-KGLIPLIRSA-N 0 3 292.335 2.416 20 5 CEBDHN CN1CC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000575084696 395646195 /nfs/dbraw/zinc/64/61/95/395646195.db2.gz ZKUNYWJYVFCKOQ-ABAIWWIYSA-N 0 3 298.346 2.283 20 5 CEBDHN Cc1ccc(N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000376487944 292137193 /nfs/dbraw/zinc/13/71/93/292137193.db2.gz ZIXKROWDRCJMFM-WFASDCNBSA-N 0 3 275.352 2.434 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCNc1c([N+](=O)[O-])ncn1C ZINC000341135924 400365313 /nfs/dbraw/zinc/36/53/13/400365313.db2.gz ZAIDVHVJMGRFTD-QWRGUYRKSA-N 0 3 281.360 2.003 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960047 286226514 /nfs/dbraw/zinc/22/65/14/286226514.db2.gz NHVAQQRKPAEYDH-BYCMXARLSA-N 0 3 294.351 2.439 20 5 CEBDHN C[C@H](N[C@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825571 155381361 /nfs/dbraw/zinc/38/13/61/155381361.db2.gz OUMCGIGDLQCJHQ-XHDPSFHLSA-N 0 3 294.351 2.033 20 5 CEBDHN CO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825864 153350222 /nfs/dbraw/zinc/35/02/22/153350222.db2.gz FMOJILSTZHSLPE-OLZOCXBDSA-N 0 3 264.325 2.498 20 5 CEBDHN CO[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830878 153350938 /nfs/dbraw/zinc/35/09/38/153350938.db2.gz BKKKKRGXGZATOD-CHWSQXEVSA-N 0 3 264.325 2.498 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCC[C@H](O)C2)cs1 ZINC000230667244 153397298 /nfs/dbraw/zinc/39/72/98/153397298.db2.gz AMUXYIREFOYAQD-ONGXEEELSA-N 0 3 270.354 2.297 20 5 CEBDHN COc1ccc(CNC[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000230667164 153399549 /nfs/dbraw/zinc/39/95/49/153399549.db2.gz DNMPIYFUUWYAGX-YPMHNXCESA-N 0 3 294.351 2.244 20 5 CEBDHN N=C(NO)[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000368527490 156362788 /nfs/dbraw/zinc/36/27/88/156362788.db2.gz UFPVYJLVIBONIA-GFCCVEGCSA-N 0 3 296.302 2.044 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000174876280 165117594 /nfs/dbraw/zinc/11/75/94/165117594.db2.gz ORISGIALUAEXIS-AAEUAGOBSA-N 0 3 264.329 2.056 20 5 CEBDHN C/C=C/C[C@@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026647 196181926 /nfs/dbraw/zinc/18/19/26/196181926.db2.gz HOTQNOMRMCNNKF-YGEYTSGZSA-N 0 3 279.340 2.155 20 5 CEBDHN Cc1c(CNC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035648800 172325364 /nfs/dbraw/zinc/32/53/64/172325364.db2.gz SJMVFUJTGSVQDY-LBPRGKRZSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@@H](NCCOCC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394040 196271277 /nfs/dbraw/zinc/27/12/77/196271277.db2.gz WVSAKEBNHJSSGC-MRVPVSSYSA-N 0 3 289.282 2.109 20 5 CEBDHN CN(C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378922 173166818 /nfs/dbraw/zinc/16/68/18/173166818.db2.gz PMXLAEGEXCCQHZ-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2cccnc2)cc1 ZINC000037502655 173239043 /nfs/dbraw/zinc/23/90/43/173239043.db2.gz QSVLYCGRTROAQH-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCCCCC2)nc1 ZINC000040433124 174260844 /nfs/dbraw/zinc/26/08/44/174260844.db2.gz IYOOQKOLQQKWFU-UHFFFAOYSA-N 0 3 264.329 2.278 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040490594 174291668 /nfs/dbraw/zinc/29/16/68/174291668.db2.gz AMQSANDHXDDNSP-BREBYQMCSA-N 0 3 279.340 2.145 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044500169 175185469 /nfs/dbraw/zinc/18/54/69/175185469.db2.gz FOBKUYOOYYISOV-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CN1CCC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000044538028 175200308 /nfs/dbraw/zinc/20/03/08/175200308.db2.gz WFHVRQLIGRNCDC-JTQLQIEISA-N 0 3 267.304 2.488 20 5 CEBDHN COc1cc(CN[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000444671068 261061557 /nfs/dbraw/zinc/06/15/57/261061557.db2.gz HYGORSJBWYUBAR-CYBMUJFWSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1nc(N2CC[C@@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000514661250 266031998 /nfs/dbraw/zinc/03/19/98/266031998.db2.gz WKZOFXGOFZMRSR-HNNXBMFYSA-N 0 3 290.367 2.220 20 5 CEBDHN C[C@H](NC[C@@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487620 270334271 /nfs/dbraw/zinc/33/42/71/270334271.db2.gz VEAINISZIVDHJV-IINYFYTJSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@H]1C[C@@H](CO)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642028 270360416 /nfs/dbraw/zinc/36/04/16/270360416.db2.gz XQFTYMOTDVDVQM-NWDGAFQWSA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1c(CN2CC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425553468 271168570 /nfs/dbraw/zinc/16/85/70/271168570.db2.gz UNTISXFMHZKXPI-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[C@@H](C)O ZINC000430211746 271363369 /nfs/dbraw/zinc/36/33/69/271363369.db2.gz YPLPFMJCUAVPMD-DGCLKSJQSA-N 0 3 294.351 2.339 20 5 CEBDHN O=[N+]([O-])c1cccc2c(N3CCN4CCC3CC4)ccnc21 ZINC000432179073 271478019 /nfs/dbraw/zinc/47/80/19/271478019.db2.gz OXGPFJFTHCJRIM-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN CN1CCC[C@@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292678674 277072550 /nfs/dbraw/zinc/07/25/50/277072550.db2.gz DNIZYAQUKJVVEL-OAHLLOKOSA-N 0 3 290.367 2.099 20 5 CEBDHN CN1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000375034508 277147117 /nfs/dbraw/zinc/14/71/17/277147117.db2.gz ARJCYQPIQUTOIN-ZWNOBZJWSA-N 0 3 279.315 2.264 20 5 CEBDHN C[C@H](C[S@](C)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248494120 278219184 /nfs/dbraw/zinc/21/91/84/278219184.db2.gz PPAHYBISQVJMBD-MHNGPXOMSA-N 0 3 270.354 2.012 20 5 CEBDHN C[C@@H](NC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000036319358 278336938 /nfs/dbraw/zinc/33/69/38/278336938.db2.gz REUKJLRDFTWKII-SNVBAGLBSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@H](Cn1cccn1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374858 279387665 /nfs/dbraw/zinc/38/76/65/279387665.db2.gz WDVSLCXLQJTLCU-GHMZBOCLSA-N 0 3 289.339 2.113 20 5 CEBDHN CC(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487983375 290371782 /nfs/dbraw/zinc/37/17/82/290371782.db2.gz UWIIEXKBFLECHL-OAHLLOKOSA-N 0 3 277.368 2.367 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876114 290580809 /nfs/dbraw/zinc/58/08/09/290580809.db2.gz RLIGKYTWUWTHQN-ZLKJLUDKSA-N 0 3 291.351 2.160 20 5 CEBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN2CCC1CC2 ZINC000527039108 297707367 /nfs/dbraw/zinc/70/73/67/297707367.db2.gz VCANJZZSFOFVOY-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN C[C@@H](NCCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712046 298117022 /nfs/dbraw/zinc/11/70/22/298117022.db2.gz CQSBGJNHODXHIE-IUODEOHRSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000541596067 298281052 /nfs/dbraw/zinc/28/10/52/298281052.db2.gz ZPLUPQQVBIQQRK-SNVBAGLBSA-N 0 3 289.335 2.454 20 5 CEBDHN Cc1ccnc(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301308040 302270276 /nfs/dbraw/zinc/27/02/76/302270276.db2.gz WGRTZIHUIAMVPF-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CO[C@H](C)C1 ZINC000567898428 313917505 /nfs/dbraw/zinc/91/75/05/313917505.db2.gz POAVZAPJGWPUDR-ZYHUDNBSSA-N 0 3 250.298 2.170 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000573881284 314178457 /nfs/dbraw/zinc/17/84/57/314178457.db2.gz JPOLPQJYDLEUBP-NEPJUHHUSA-N 0 3 291.351 2.276 20 5 CEBDHN C[S@](=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865535 314422562 /nfs/dbraw/zinc/42/25/62/314422562.db2.gz FAMHXAAAYHTZTK-ODXCJYRJSA-N 0 3 294.376 2.083 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000580718375 322338728 /nfs/dbraw/zinc/33/87/28/322338728.db2.gz UYKIFYMWLWOXOL-WCQYABFASA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2C2(O)CC2)c1 ZINC000560590365 327328777 /nfs/dbraw/zinc/32/87/77/327328777.db2.gz OMHHWVQAPQUTFZ-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN CC(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000142968220 519656107 /nfs/dbraw/zinc/65/61/07/519656107.db2.gz DYUKFNMGDKSLEP-UHFFFAOYSA-N 0 3 293.367 2.331 20 5 CEBDHN CN(C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000054455678 521785408 /nfs/dbraw/zinc/78/54/08/521785408.db2.gz QLWUQOUUDOSFRA-UHFFFAOYSA-N 0 3 293.367 2.184 20 5 CEBDHN CC[C@H](NCC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000183644279 522569030 /nfs/dbraw/zinc/56/90/30/522569030.db2.gz KYRZMZHDQSQPDC-LBPRGKRZSA-N 0 3 279.340 2.147 20 5 CEBDHN Cc1c(CN2CCC[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000051896781 525705908 /nfs/dbraw/zinc/70/59/08/525705908.db2.gz AAEZUUJDSIHWBX-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000049084274 525748915 /nfs/dbraw/zinc/74/89/15/525748915.db2.gz YQEJDWDFOJPQJF-YPMHNXCESA-N 0 3 263.341 2.258 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960050 527777407 /nfs/dbraw/zinc/77/74/07/527777407.db2.gz NHVAQQRKPAEYDH-KCPJHIHWSA-N 0 3 294.351 2.439 20 5 CEBDHN COCCOC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479546 575104859 /nfs/dbraw/zinc/10/48/59/575104859.db2.gz IOWNBVJTIPUBQC-NEPJUHHUSA-N 0 3 282.340 2.297 20 5 CEBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000747617416 575172588 /nfs/dbraw/zinc/17/25/88/575172588.db2.gz FGOJEGRCZNJACQ-UHFFFAOYSA-N 0 3 293.367 2.142 20 5 CEBDHN Cc1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107731 623035414 /nfs/dbraw/zinc/03/54/14/623035414.db2.gz VDNUHTJNCFBTJD-NSHDSACASA-N 0 3 251.282 2.136 20 5 CEBDHN CC(COC(=O)c1cc2c(s1)CCCC2)[N+](=O)[O-] ZINC000813108187 623040672 /nfs/dbraw/zinc/04/06/72/623040672.db2.gz CAOUKNPSOYEFBP-QMMMGPOBSA-N 0 3 269.322 2.449 20 5 CEBDHN Cc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115034 623080040 /nfs/dbraw/zinc/08/00/40/623080040.db2.gz JKGVSPUDPHXSHZ-LLVKDONJSA-N 0 3 279.292 2.166 20 5 CEBDHN COc1c(O)ccc(CN2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892068804 624291849 /nfs/dbraw/zinc/29/18/49/624291849.db2.gz TUDOWYKRWDUMFE-AOOOYVTPSA-N 0 3 280.324 2.397 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1CNC1(CO)CCCC1 ZINC000053069471 625121808 /nfs/dbraw/zinc/12/18/08/625121808.db2.gz FWWJTXNLHDXQFT-UHFFFAOYSA-N 0 3 268.288 2.129 20 5 CEBDHN C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000311630470 627684064 /nfs/dbraw/zinc/68/40/64/627684064.db2.gz JBCZWFZGHSVREP-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(c1ccncc1CO)C2 ZINC000892997197 627933851 /nfs/dbraw/zinc/93/38/51/627933851.db2.gz HFOQNEVZAVMXPD-UHFFFAOYSA-N 0 3 285.303 2.045 20 5 CEBDHN CC(COC(=O)CCCC(=O)c1ccccc1)[N+](=O)[O-] ZINC000893048213 627968717 /nfs/dbraw/zinc/96/87/17/627968717.db2.gz SGWYMQJFQQAURS-NSHDSACASA-N 0 3 279.292 2.248 20 5 CEBDHN COc1c(O)ccc(CNC[C@@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000893868407 629022131 /nfs/dbraw/zinc/02/21/31/629022131.db2.gz POUKCLDLGBJBLQ-NSHDSACASA-N 0 3 294.307 2.091 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2CS[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894904664 629745984 /nfs/dbraw/zinc/74/59/84/629745984.db2.gz UZBQTLOKBATIRI-WPRPVWTQSA-N 0 3 298.364 2.293 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785207 630344056 /nfs/dbraw/zinc/34/40/56/630344056.db2.gz RTZLZVDSFJFWJQ-XCAPREMTSA-N 0 3 288.347 2.311 20 5 CEBDHN CCN(CCC(N)=O)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000896714558 630647149 /nfs/dbraw/zinc/64/71/49/630647149.db2.gz GGYRREMONABYSD-UHFFFAOYSA-N 0 3 293.367 2.416 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CO ZINC000872038090 631235147 /nfs/dbraw/zinc/23/51/47/631235147.db2.gz HZTVXXCRHHHLMM-IUCAKERBSA-N 0 3 270.354 2.348 20 5 CEBDHN CCOC(=O)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813100946 632620690 /nfs/dbraw/zinc/62/06/90/632620690.db2.gz YUAWQLREOFXPBB-VIFPVBQESA-N 0 3 297.263 2.044 20 5 CEBDHN CC(COC(=O)CCCOc1ccccc1)[N+](=O)[O-] ZINC000813100040 632621254 /nfs/dbraw/zinc/62/12/54/632621254.db2.gz KNIIGWUPXVUKHG-NSHDSACASA-N 0 3 267.281 2.054 20 5 CEBDHN Cc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102976 632621433 /nfs/dbraw/zinc/62/14/33/632621433.db2.gz WYRTVUGYWTWBSG-MRVPVSSYSA-N 0 3 285.321 2.228 20 5 CEBDHN CC(COC(=O)c1cnc2ccsc2c1)[N+](=O)[O-] ZINC000813106251 632623645 /nfs/dbraw/zinc/62/36/45/632623645.db2.gz BKWHHEBJUPSRJJ-ZETCQYMHSA-N 0 3 266.278 2.118 20 5 CEBDHN Cc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000813106669 632624419 /nfs/dbraw/zinc/62/44/19/632624419.db2.gz FQSNDCFXZHPXTF-VIFPVBQESA-N 0 3 271.700 2.399 20 5 CEBDHN Cc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000813106667 632624476 /nfs/dbraw/zinc/62/44/76/632624476.db2.gz FQSNDCFXZHPXTF-SECBINFHSA-N 0 3 271.700 2.399 20 5 CEBDHN CC(COC(=O)c1cccc2c1ccn2C)[N+](=O)[O-] ZINC000813107141 632624954 /nfs/dbraw/zinc/62/49/54/632624954.db2.gz KONFSASHXDACHP-VIFPVBQESA-N 0 3 262.265 2.000 20 5 CEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108780 632625571 /nfs/dbraw/zinc/62/55/71/632625571.db2.gz LRMBPYYZTFMSHE-RNKPRXRFSA-N 0 3 294.263 2.207 20 5 CEBDHN Cc1ccc(OCCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813109255 632625966 /nfs/dbraw/zinc/62/59/66/632625966.db2.gz QGWDTJDZKIXTEO-LBPRGKRZSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)c1nccc2ccccc21)[N+](=O)[O-] ZINC000813108941 632626015 /nfs/dbraw/zinc/62/60/15/632626015.db2.gz CICDVDKRSRYWST-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN CC(COC(=O)c1sccc1OC(F)F)[N+](=O)[O-] ZINC000813110659 632626557 /nfs/dbraw/zinc/62/65/57/632626557.db2.gz HATBVJUIQFZMDQ-YFKPBYRVSA-N 0 3 281.236 2.172 20 5 CEBDHN CC(COC(=O)[C@H]1[C@@H](C)[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000813111634 632627746 /nfs/dbraw/zinc/62/77/46/632627746.db2.gz JJXBREZAUKBAQI-DNIRFERGSA-N 0 3 263.293 2.245 20 5 CEBDHN CC[C@H](Oc1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112981 632628175 /nfs/dbraw/zinc/62/81/75/632628175.db2.gz NCAZWOOTWWEZJJ-AAEUAGOBSA-N 0 3 281.308 2.361 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1cccc(F)c1)[N+](=O)[O-] ZINC000813115069 632629648 /nfs/dbraw/zinc/62/96/48/632629648.db2.gz KCFHYWROTIVKQI-NXEZZACHSA-N 0 3 269.272 2.213 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000816092003 633116306 /nfs/dbraw/zinc/11/63/06/633116306.db2.gz PSUXKSCLCWGAGN-ZETCQYMHSA-N 0 3 273.672 2.171 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817132023 633590640 /nfs/dbraw/zinc/59/06/40/633590640.db2.gz YCRRQYTUKCRIMW-LLVKDONJSA-N 0 3 294.311 2.033 20 5 CEBDHN CCOCCN[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903074630 634967731 /nfs/dbraw/zinc/96/77/31/634967731.db2.gz VWCSFAQZZWEXOW-JTQLQIEISA-N 0 3 268.313 2.291 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2CO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194333 635005696 /nfs/dbraw/zinc/00/56/96/635005696.db2.gz MZWVTNMSCVICKH-JFGNBEQYSA-N 0 3 280.324 2.431 20 5 CEBDHN O=[N+]([O-])CCNCCc1ccc(Cl)c(Cl)c1 ZINC000905474526 636283701 /nfs/dbraw/zinc/28/37/01/636283701.db2.gz SEXPDNOUJAYYFG-UHFFFAOYSA-N 0 3 263.124 2.402 20 5 CEBDHN C[C@@H](NC[C@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208885 639746611 /nfs/dbraw/zinc/74/66/11/639746611.db2.gz AVJSVSMVIXRKBY-MFKMUULPSA-N 0 3 280.324 2.397 20 5 CEBDHN CCOc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000842363983 640030058 /nfs/dbraw/zinc/03/00/58/640030058.db2.gz QSGPNJATPCHLLN-NEPJUHHUSA-N 0 3 295.335 2.472 20 5 CEBDHN Cn1cnc(CCNCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000313270704 640197961 /nfs/dbraw/zinc/19/79/61/640197961.db2.gz BUUMKOJSGGMTNI-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844472330 640741711 /nfs/dbraw/zinc/74/17/11/640741711.db2.gz WJKCMTVGLIOQBO-CHWSQXEVSA-N 0 3 298.289 2.359 20 5 CEBDHN C[C@@H](CCO)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846111261 641185832 /nfs/dbraw/zinc/18/58/32/641185832.db2.gz NMMRQDMQMNIPJB-VIFPVBQESA-N 0 3 272.732 2.451 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000850377423 642689191 /nfs/dbraw/zinc/68/91/91/642689191.db2.gz GTJGETOHFOLLDD-OLZOCXBDSA-N 0 3 298.289 2.499 20 5 CEBDHN COC(=O)C1CC(NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877723611 650871818 /nfs/dbraw/zinc/87/18/18/650871818.db2.gz MPPQANGUVZLLAQ-UHFFFAOYSA-N 0 3 292.335 2.253 20 5 CEBDHN C[C@H]1C[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100869 644325350 /nfs/dbraw/zinc/32/53/50/644325350.db2.gz JJYIPGJNGIPVGB-QWHCGFSZSA-N 0 3 275.352 2.373 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])c1ccnc(CO)c1 ZINC000858543006 645195168 /nfs/dbraw/zinc/19/51/68/645195168.db2.gz OPXAFPDVBRZGMC-UHFFFAOYSA-N 0 3 287.319 2.161 20 5 CEBDHN CCO[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274348 647044573 /nfs/dbraw/zinc/04/45/73/647044573.db2.gz CGCRAYJDECYVAJ-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679478 647747560 /nfs/dbraw/zinc/74/75/60/647747560.db2.gz IIVVGKMABFJQJC-RYUDHWBXSA-N 0 3 284.743 2.497 20 5 CEBDHN CCOC1CC(N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805820432 648050908 /nfs/dbraw/zinc/05/09/08/648050908.db2.gz NBEKBLKETMVKFJ-YMAMQOFZSA-N 0 3 294.351 2.128 20 5 CEBDHN C[C@@H](NCCCn1cncn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057336 649257342 /nfs/dbraw/zinc/25/73/42/649257342.db2.gz XTUPSLGIVBSMGT-SNVBAGLBSA-N 0 3 293.302 2.066 20 5 CEBDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128797 649286639 /nfs/dbraw/zinc/28/66/39/649286639.db2.gz WXWCXTRZODJRRM-JULQROHOSA-N 0 3 292.335 2.443 20 5 CEBDHN CO[C@@H]1CC[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317196 651283087 /nfs/dbraw/zinc/28/30/87/651283087.db2.gz CCFORZKCKUOOOA-SWLSCSKDSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1cc(-n2nc(CN)c3ccccc32)ncc1[N+](=O)[O-] ZINC001167697542 803571748 /nfs/dbraw/zinc/57/17/48/803571748.db2.gz FGRAYUXSZHUYFE-UHFFFAOYSA-N 0 3 283.291 2.096 20 5 CEBDHN Cc1ccc(CN[C@H]2CCCC23OCCO3)cc1[N+](=O)[O-] ZINC000715593183 814976340 /nfs/dbraw/zinc/97/63/40/814976340.db2.gz FZFDMWBLHBHCKY-AWEZNQCLSA-N 0 3 292.335 2.288 20 5 CEBDHN N[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001118263137 814998300 /nfs/dbraw/zinc/99/83/00/814998300.db2.gz AYJZLDZKAPWEJI-AWEZNQCLSA-N 0 3 291.351 2.119 20 5 CEBDHN Cc1cc(O[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1C ZINC001230472031 810540610 /nfs/dbraw/zinc/54/06/10/810540610.db2.gz ZHTDYGXWZMMHOC-NSHDSACASA-N 0 3 250.298 2.295 20 5 CEBDHN C[C@H](N)c1nc2ccccc2n1-c1cccc([N+](=O)[O-])n1 ZINC001155247763 811025403 /nfs/dbraw/zinc/02/54/03/811025403.db2.gz LGYFTUDXGZHNSG-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN Cc1ccc(F)c(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168977835 811306036 /nfs/dbraw/zinc/30/60/36/811306036.db2.gz MMXBAJZNTJFOEP-MNOVXSKESA-N 0 3 267.304 2.064 20 5 CEBDHN C[C@@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168995611 811325879 /nfs/dbraw/zinc/32/58/79/811325879.db2.gz SGBORONWFCUZCJ-KXUCPTDWSA-N 0 3 255.343 2.239 20 5 CEBDHN Cc1cc([N+](=O)[O-])cc(-n2ccc([C@@H](C)N)n2)c1F ZINC001169235503 811441079 /nfs/dbraw/zinc/44/10/79/811441079.db2.gz WRCNQPQLMOASGJ-MRVPVSSYSA-N 0 3 264.260 2.248 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN)nc1 ZINC001173222637 815627400 /nfs/dbraw/zinc/62/74/00/815627400.db2.gz YIAISBNFUPYILJ-NSHDSACASA-N 0 3 286.335 2.492 20 5 CEBDHN C[C@H](NCC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298732 346815245 /nfs/dbraw/zinc/81/52/45/346815245.db2.gz KDLSQEDKVKPFJO-KWQFWETISA-N 0 3 274.267 2.262 20 5 CEBDHN CN(C)CCOC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351827244 282107120 /nfs/dbraw/zinc/10/71/20/282107120.db2.gz FXSIYAYHBGNAAH-UHFFFAOYSA-N 0 3 293.367 2.142 20 5 CEBDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154338990 295665387 /nfs/dbraw/zinc/66/53/87/295665387.db2.gz OHAWVBNLFIYANM-OUJBWJOFSA-N 0 3 284.381 2.358 20 5 CEBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079905737 343993312 /nfs/dbraw/zinc/99/33/12/343993312.db2.gz ZJHKYOYNNMFUSD-ZDUSSCGKSA-N 0 3 292.383 2.033 20 5 CEBDHN Cc1ccc(CN[C@@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125446797 187185332 /nfs/dbraw/zinc/18/53/32/187185332.db2.gz KQMSZWWTZBDTBT-WLRWDXFRSA-N 0 3 284.381 2.150 20 5 CEBDHN Cc1nccn1CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000337950839 214327318 /nfs/dbraw/zinc/32/73/18/214327318.db2.gz OODFSIZKMAVIOC-UHFFFAOYSA-N 0 3 292.314 2.419 20 5 CEBDHN C[C@H](CC(C)(C)O)NCc1cccc([N+](=O)[O-])c1 ZINC000295018290 199302265 /nfs/dbraw/zinc/30/22/65/199302265.db2.gz KHRXGPQPPGGCOG-SNVBAGLBSA-N 0 3 252.314 2.234 20 5 CEBDHN COC1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055900513 343609889 /nfs/dbraw/zinc/60/98/89/343609889.db2.gz JNSZJSJIJUVKSB-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057720899 343636185 /nfs/dbraw/zinc/63/61/85/343636185.db2.gz OGHGKWALWMHSDE-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000068911178 343777086 /nfs/dbraw/zinc/77/70/86/343777086.db2.gz XQIFXWBTOUSCRS-GFCCVEGCSA-N 0 3 279.340 2.118 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CN(C)C ZINC000351535522 219117402 /nfs/dbraw/zinc/11/74/02/219117402.db2.gz IZXNYSSUXBBDFW-LLVKDONJSA-N 0 3 294.355 2.283 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172232177 529948774 /nfs/dbraw/zinc/94/87/74/529948774.db2.gz VIMNVDIQBODHON-SNVBAGLBSA-N 0 3 297.380 2.070 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000090909869 344146458 /nfs/dbraw/zinc/14/64/58/344146458.db2.gz MYMLENIVPMIGLD-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CCO[C@@H]1COC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449719958 282341624 /nfs/dbraw/zinc/34/16/24/282341624.db2.gz RPBCBFJNBRQSAZ-BBUPELFUSA-N 0 3 292.335 2.002 20 5 CEBDHN CC[C@@H](N)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229938633 344569775 /nfs/dbraw/zinc/56/97/75/344569775.db2.gz JILBGUVLJFVKHR-SNVBAGLBSA-N 0 3 295.730 2.298 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCCC[C@@H]2O)cs1 ZINC000052001308 362458592 /nfs/dbraw/zinc/45/85/92/362458592.db2.gz JJZMBCHRDJIKKN-UWVGGRQHSA-N 0 3 256.327 2.049 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCCCCC2)cn1 ZINC000053297520 362490862 /nfs/dbraw/zinc/49/08/62/362490862.db2.gz ROTHVPYWRWFJEH-UHFFFAOYSA-N 0 3 264.329 2.278 20 5 CEBDHN CO[C@H](CNCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602517181 347064511 /nfs/dbraw/zinc/06/45/11/347064511.db2.gz XDVVNRJODSJNMH-OAHLLOKOSA-N 0 3 294.351 2.126 20 5 CEBDHN Cc1cncc(CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000402849877 344874252 /nfs/dbraw/zinc/87/42/52/344874252.db2.gz SBGZUVMPFYFWRQ-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCCN1 ZINC000083896534 178760555 /nfs/dbraw/zinc/76/05/55/178760555.db2.gz BJTXMYHBCOUYMM-LBPRGKRZSA-N 0 3 263.297 2.066 20 5 CEBDHN Cc1ccc([C@H](C)NCC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220527 344878707 /nfs/dbraw/zinc/87/87/07/344878707.db2.gz XFERUQJARBZQTD-WFASDCNBSA-N 0 3 294.351 2.095 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCN2CCCC2)c(Cl)c1 ZINC000054126903 362513354 /nfs/dbraw/zinc/51/33/54/362513354.db2.gz LJPVFNNJQCPQJC-UHFFFAOYSA-N 0 3 283.759 2.434 20 5 CEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071894 345037639 /nfs/dbraw/zinc/03/76/39/345037639.db2.gz NJIXMNMFUCIGPC-RYUDHWBXSA-N 0 3 276.340 2.053 20 5 CEBDHN COCCCN(CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000054365918 362532622 /nfs/dbraw/zinc/53/26/22/362532622.db2.gz AQIWTYNJMDKDAM-UHFFFAOYSA-N 0 3 296.367 2.388 20 5 CEBDHN C[C@@H](F)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195016 345120702 /nfs/dbraw/zinc/12/07/02/345120702.db2.gz QSCCGPRUYQIAEB-SECBINFHSA-N 0 3 284.287 2.204 20 5 CEBDHN Cc1c([C@@H](C)NC[C@@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243924 345234074 /nfs/dbraw/zinc/23/40/74/345234074.db2.gz XMNDYJSINDKEFD-NEPJUHHUSA-N 0 3 291.351 2.080 20 5 CEBDHN COc1cc(CNC2CC=CC2)c([N+](=O)[O-])cc1OC ZINC000591501567 345261366 /nfs/dbraw/zinc/26/13/66/345261366.db2.gz SDDWHSCTLSGVEO-UHFFFAOYSA-N 0 3 278.308 2.420 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593066774 345432473 /nfs/dbraw/zinc/43/24/73/345432473.db2.gz DRBHFAXPFSVEHZ-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN CCOc1cc(CN(C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593107622 345441113 /nfs/dbraw/zinc/44/11/13/345441113.db2.gz HJWDPSODQPOIRM-LLVKDONJSA-N 0 3 282.340 2.196 20 5 CEBDHN C[C@H](NCC[C@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182729 345450353 /nfs/dbraw/zinc/45/03/53/345450353.db2.gz BIBFARNGGUDFIX-SWLSCSKDSA-N 0 3 294.351 2.177 20 5 CEBDHN CC(C)(C)[C@@H](N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640211 345664074 /nfs/dbraw/zinc/66/40/74/345664074.db2.gz DEMHJQRFBHRTOE-LBPRGKRZSA-N 0 3 275.312 2.221 20 5 CEBDHN CN1CCC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505492 345639537 /nfs/dbraw/zinc/63/95/37/345639537.db2.gz WTSLQSLLNMVYDH-FZMZJTMJSA-N 0 3 275.352 2.266 20 5 CEBDHN COCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000594513640 345641616 /nfs/dbraw/zinc/64/16/16/345641616.db2.gz FAOYDWOKWKVCMO-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN O=[N+]([O-])c1ncccc1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594599998 345656698 /nfs/dbraw/zinc/65/66/98/345656698.db2.gz KYECQOIWIUEUCO-WCQYABFASA-N 0 3 276.340 2.419 20 5 CEBDHN CO[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000594712258 345677054 /nfs/dbraw/zinc/67/70/54/345677054.db2.gz UKWGYVSHGPCXIK-OSAQELSMSA-N 0 3 294.351 2.297 20 5 CEBDHN CCOc1ccc([C@@H](C)NC/C=C\CO)cc1[N+](=O)[O-] ZINC000595074059 345740182 /nfs/dbraw/zinc/74/01/82/345740182.db2.gz VGWGNCIRELKTCM-DOGVGXBMSA-N 0 3 280.324 2.193 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCNCc1cnn2c1CCC2 ZINC000594929822 345706170 /nfs/dbraw/zinc/70/61/70/345706170.db2.gz NUTXGGVIRCHYAB-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594961569 345718123 /nfs/dbraw/zinc/71/81/23/345718123.db2.gz AGBOFBOQAMFWQJ-VQZRKKFQSA-N 0 3 296.392 2.374 20 5 CEBDHN Cc1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988544 345722710 /nfs/dbraw/zinc/72/27/10/345722710.db2.gz QJFAFSGEMYGUDV-ZIAGYGMSSA-N 0 3 276.336 2.296 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)C(C)C ZINC000595011055 345726010 /nfs/dbraw/zinc/72/60/10/345726010.db2.gz GSDPQNFVWOJPBH-ZWNOBZJWSA-N 0 3 282.340 2.271 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)CCO ZINC000595029772 345730907 /nfs/dbraw/zinc/73/09/07/345730907.db2.gz YJEAUMWSVIGUKO-QWRGUYRKSA-N 0 3 282.340 2.273 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC[C@H]1O ZINC000595050099 345734880 /nfs/dbraw/zinc/73/48/80/345734880.db2.gz GJFVFFUEHZHUFR-COPLHBTASA-N 0 3 294.351 2.415 20 5 CEBDHN Cc1ccc([C@@H](C)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000595066853 345738596 /nfs/dbraw/zinc/73/85/96/345738596.db2.gz FOIZDEAIMBWDFX-PGLGOXFNSA-N 0 3 250.298 2.102 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H]1C[C@H]3C[C@H]3C1)CC2 ZINC000595425931 345778944 /nfs/dbraw/zinc/77/89/44/345778944.db2.gz VKJBSHWAGSWHAN-ZSBIGDGJSA-N 0 3 273.336 2.394 20 5 CEBDHN CC[C@@]1(NCc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000595462229 345789288 /nfs/dbraw/zinc/78/92/88/345789288.db2.gz SDUFFMYPIHUVKE-CYBMUJFWSA-N 0 3 268.288 2.393 20 5 CEBDHN CC[C@@H](C)N(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595599082 345822226 /nfs/dbraw/zinc/82/22/26/345822226.db2.gz KWUOEHCSXVIBNG-SNVBAGLBSA-N 0 3 279.340 2.314 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000595829892 345888589 /nfs/dbraw/zinc/88/85/89/345888589.db2.gz JISYPWGZCMPXHR-OLZOCXBDSA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875535 345903786 /nfs/dbraw/zinc/90/37/86/345903786.db2.gz QMKCGDHMHBXILO-SMDDNHRTSA-N 0 3 264.325 2.045 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H](N)C1 ZINC000595906849 345911225 /nfs/dbraw/zinc/91/12/25/345911225.db2.gz OLLZYHBDXHLVDV-MVWJERBFSA-N 0 3 267.304 2.027 20 5 CEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C1(NC2CC2)CCC1 ZINC000595923739 345913817 /nfs/dbraw/zinc/91/38/17/345913817.db2.gz BNPNBHSGLLDCMY-UHFFFAOYSA-N 0 3 275.308 2.208 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000596079079 345934680 /nfs/dbraw/zinc/93/46/80/345934680.db2.gz YGJMZFAZPOFTIS-GHMZBOCLSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000596079079 345934683 /nfs/dbraw/zinc/93/46/83/345934683.db2.gz YGJMZFAZPOFTIS-GHMZBOCLSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000596085020 345936059 /nfs/dbraw/zinc/93/60/59/345936059.db2.gz GANXNLSYFZMDRP-NSHDSACASA-N 0 3 294.355 2.229 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCN(C3CC3)C1)CCN2 ZINC000596091518 345938041 /nfs/dbraw/zinc/93/80/41/345938041.db2.gz LTBAMWKELHQCLT-SNVBAGLBSA-N 0 3 288.351 2.211 20 5 CEBDHN C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186913149 232420590 /nfs/dbraw/zinc/42/05/90/232420590.db2.gz VUGCVANEPHSRLA-DOMZBBRYSA-N 0 3 294.351 2.066 20 5 CEBDHN COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000062070718 362703710 /nfs/dbraw/zinc/70/37/10/362703710.db2.gz YTBBUWJGWFJZDF-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CC1(C)OC[C@H]2C[C@]21NCc1cccc([N+](=O)[O-])c1 ZINC000598988646 346442583 /nfs/dbraw/zinc/44/25/83/346442583.db2.gz UITFLUKBJWLPKX-RISCZKNCSA-N 0 3 262.309 2.252 20 5 CEBDHN C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000063308521 362764281 /nfs/dbraw/zinc/76/42/81/362764281.db2.gz YHZSUXNNQGFBMC-NSHDSACASA-N 0 3 291.351 2.316 20 5 CEBDHN Cc1c(CN(C)C[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599668983 346559554 /nfs/dbraw/zinc/55/95/54/346559554.db2.gz AMRVIQICQWIWLC-BJHJDKERSA-N 0 3 264.325 2.106 20 5 CEBDHN CC[C@H]1CN(C)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000601188064 346781231 /nfs/dbraw/zinc/78/12/31/346781231.db2.gz AYLZQDJVVNXDNJ-JTQLQIEISA-N 0 3 282.319 2.049 20 5 CEBDHN CC[C@@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602809351 347207998 /nfs/dbraw/zinc/20/79/98/347207998.db2.gz BGQNDWRKKLHDLW-ZYHUDNBSSA-N 0 3 266.345 2.387 20 5 CEBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602931796 347250651 /nfs/dbraw/zinc/25/06/51/347250651.db2.gz SAHKYGJSNHGOPI-RISCZKNCSA-N 0 3 264.325 2.188 20 5 CEBDHN CCS[C@@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602832690 347217496 /nfs/dbraw/zinc/21/74/96/347217496.db2.gz VRCLHMJNQBMAMB-GHMZBOCLSA-N 0 3 284.385 2.092 20 5 CEBDHN Cc1cc(OCc2cn(C)nc2[N+](=O)[O-])c(C)c(C)n1 ZINC000603423274 347366298 /nfs/dbraw/zinc/36/62/98/347366298.db2.gz ORHRGVXTLSJMCL-UHFFFAOYSA-N 0 3 276.296 2.228 20 5 CEBDHN CN(C)CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000609604387 347645795 /nfs/dbraw/zinc/64/57/95/347645795.db2.gz JPNOTFIHIHSZRD-UHFFFAOYSA-N 0 3 260.297 2.020 20 5 CEBDHN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610831062 347717147 /nfs/dbraw/zinc/71/71/47/347717147.db2.gz HDIWFMRZRNPBIV-LLVKDONJSA-N 0 3 277.324 2.312 20 5 CEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000351935811 219255166 /nfs/dbraw/zinc/25/51/66/219255166.db2.gz NTTOPIDOBPPQQV-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCSC1 ZINC000273390646 192136218 /nfs/dbraw/zinc/13/62/18/192136218.db2.gz JQPDYSVOFVBKDR-NSHDSACASA-N 0 3 252.339 2.498 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339624166 215274347 /nfs/dbraw/zinc/27/43/47/215274347.db2.gz WYCBIUKTZBHVTO-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538631 180000407 /nfs/dbraw/zinc/00/04/07/180000407.db2.gz XIIQQIOCYPFZJI-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN COc1cccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538634 180000589 /nfs/dbraw/zinc/00/05/89/180000589.db2.gz ZMJLGZSOASHPKU-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN C[C@H]1[C@H](CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000412062972 233326545 /nfs/dbraw/zinc/32/65/45/233326545.db2.gz AWZMQLURJQANOF-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H]1[C@H](CO)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061936 233327111 /nfs/dbraw/zinc/32/71/11/233327111.db2.gz ANLZDWHTYGTCMK-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1cnn(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105881389 186083271 /nfs/dbraw/zinc/08/32/71/186083271.db2.gz SLNLSSLBHMPMDZ-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN CCN(C[C@@H](C)O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194205 219354344 /nfs/dbraw/zinc/35/43/44/219354344.db2.gz IRDNYNOIEUMRQL-MNOVXSKESA-N 0 3 252.314 2.359 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000123793636 187108880 /nfs/dbraw/zinc/10/88/80/187108880.db2.gz QBQDGBCCNHJILK-UHFFFAOYSA-N 0 3 264.325 2.332 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530144 191193917 /nfs/dbraw/zinc/19/39/17/191193917.db2.gz RWPBVVFEJGTMMC-QWRGUYRKSA-N 0 3 279.340 2.078 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCn3ccnc3C2)c(F)c1 ZINC000494403589 290971981 /nfs/dbraw/zinc/97/19/81/290971981.db2.gz IDCFUTWONZISGD-NSHDSACASA-N 0 3 290.298 2.035 20 5 CEBDHN CC[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154435891 188142825 /nfs/dbraw/zinc/14/28/25/188142825.db2.gz YOGSLWUWKLUCLY-FZMZJTMJSA-N 0 3 264.325 2.360 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155049450 188179337 /nfs/dbraw/zinc/17/93/37/188179337.db2.gz LTDJGYWSRIZEAM-SNVBAGLBSA-N 0 3 297.742 2.072 20 5 CEBDHN CC[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273631599 192238222 /nfs/dbraw/zinc/23/82/22/192238222.db2.gz QMWYBOPSKRLFBE-NSHDSACASA-N 0 3 279.344 2.061 20 5 CEBDHN Cc1nccn1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570344269 299254868 /nfs/dbraw/zinc/25/48/68/299254868.db2.gz QXLPDDKTNDCEKE-AWEZNQCLSA-N 0 3 286.335 2.377 20 5 CEBDHN CCC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463757 366441798 /nfs/dbraw/zinc/44/17/98/366441798.db2.gz XLUMKJAYPFXKFP-QWRGUYRKSA-N 0 3 252.314 2.406 20 5 CEBDHN CN(CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000149179382 366588089 /nfs/dbraw/zinc/58/80/89/366588089.db2.gz CJQWIEMFJMSUOG-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CCN(C)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000341802395 216111004 /nfs/dbraw/zinc/11/10/04/216111004.db2.gz WFNFUVOTJUXNAJ-UHFFFAOYSA-N 0 3 295.339 2.053 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1CCCC[C@H]1C ZINC000341931417 216157975 /nfs/dbraw/zinc/15/79/75/216157975.db2.gz LCTMUAOWYHSWBR-OLZOCXBDSA-N 0 3 292.383 2.395 20 5 CEBDHN CN1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000081589170 363732756 /nfs/dbraw/zinc/73/27/56/363732756.db2.gz VVGXLUWDQMHWEL-UHFFFAOYSA-N 0 3 287.323 2.044 20 5 CEBDHN Cc1c([C@H](C)NCCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000177866843 189075663 /nfs/dbraw/zinc/07/56/63/189075663.db2.gz TYVQQJSDLXHLKE-LBPRGKRZSA-N 0 3 293.367 2.469 20 5 CEBDHN COC(=O)C[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000179148297 189173111 /nfs/dbraw/zinc/17/31/11/189173111.db2.gz NBBNXGWNGUODPH-CQSZACIVSA-N 0 3 292.335 2.165 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](O)C1 ZINC000571633096 299319156 /nfs/dbraw/zinc/31/91/56/299319156.db2.gz VEEBTLSMVKZBQF-JBLDHEPKSA-N 0 3 250.298 2.077 20 5 CEBDHN CC(C)OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414348 189254189 /nfs/dbraw/zinc/25/41/89/189254189.db2.gz MVKFXZOLEDGEBX-SMDDNHRTSA-N 0 3 282.340 2.031 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180850063 189279374 /nfs/dbraw/zinc/27/93/74/189279374.db2.gz YWMJYCGISZZMRJ-DGCLKSJQSA-N 0 3 264.325 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](O)C1CC1 ZINC000084440159 363810980 /nfs/dbraw/zinc/81/09/80/363810980.db2.gz QJSOSFOPUIVWQK-LBPRGKRZSA-N 0 3 270.716 2.109 20 5 CEBDHN COc1ccccc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000090537752 364062267 /nfs/dbraw/zinc/06/22/67/364062267.db2.gz ZSGCDRRHKLXCMU-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN CCC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000112376987 364803046 /nfs/dbraw/zinc/80/30/46/364803046.db2.gz RESPNASEYULLSC-LBPRGKRZSA-N 0 3 252.314 2.154 20 5 CEBDHN CC[C@@H](Cn1cncn1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524504 366920847 /nfs/dbraw/zinc/92/08/47/366920847.db2.gz ISLSVTCLPABRQX-AAEUAGOBSA-N 0 3 289.339 2.316 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCn1cccn1 ZINC000583703549 367087405 /nfs/dbraw/zinc/08/74/05/367087405.db2.gz AOMSETNYDRRFJB-CYBMUJFWSA-N 0 3 272.308 2.068 20 5 CEBDHN CS[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000611414536 367225552 /nfs/dbraw/zinc/22/55/52/367225552.db2.gz GBXUSTINBYWSKN-VHSXEESVSA-N 0 3 287.410 2.138 20 5 CEBDHN CO[C@@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170817642 367423269 /nfs/dbraw/zinc/42/32/69/367423269.db2.gz ZLIDKEJIAUEUGF-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000171068162 367469937 /nfs/dbraw/zinc/46/99/37/367469937.db2.gz ZEIRPCGRGPNOTO-LBPRGKRZSA-N 0 3 292.339 2.071 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C(C)(C)C)C1 ZINC000344215049 368115413 /nfs/dbraw/zinc/11/54/13/368115413.db2.gz PIYHWDXUYMGAQO-JTQLQIEISA-N 0 3 266.345 2.196 20 5 CEBDHN COc1cc(CN2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000348377363 369024196 /nfs/dbraw/zinc/02/41/96/369024196.db2.gz RNWXGBANQJZTAW-OAHLLOKOSA-N 0 3 294.351 2.340 20 5 CEBDHN CO[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000189102639 369457887 /nfs/dbraw/zinc/45/78/87/369457887.db2.gz FCXGDUWXKBQOAJ-QWRGUYRKSA-N 0 3 252.314 2.416 20 5 CEBDHN COCCOC[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205602 370950986 /nfs/dbraw/zinc/95/09/86/370950986.db2.gz RDWXOQCLMOHPGZ-NWDGAFQWSA-N 0 3 282.340 2.297 20 5 CEBDHN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000350100152 369506390 /nfs/dbraw/zinc/50/63/90/369506390.db2.gz NPZRWHRTZYSMKO-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN CCCCN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352450159 369737259 /nfs/dbraw/zinc/73/72/59/369737259.db2.gz HSORZUSLARBZTI-UHFFFAOYSA-N 0 3 294.355 2.448 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540484 369779241 /nfs/dbraw/zinc/77/92/41/369779241.db2.gz LRUWWFZSGASLOP-GFCCVEGCSA-N 0 3 280.324 2.072 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@](C)(CO)C(C)C ZINC000352871473 369924115 /nfs/dbraw/zinc/92/41/15/369924115.db2.gz OKYAJILCSPNKOZ-CQSZACIVSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1cc(C(=O)N(CCN(C)C)C2CC2)cc([N+](=O)[O-])c1 ZINC000356269852 370635507 /nfs/dbraw/zinc/63/55/07/370635507.db2.gz BAWDVOQHZFTLNG-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CCc1cnccc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000361133660 371670575 /nfs/dbraw/zinc/67/05/75/371670575.db2.gz YVISBZPOSSAUQE-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN Cc1nc(N2CCC[C@@H]3CN(C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000269077830 372334483 /nfs/dbraw/zinc/33/44/83/372334483.db2.gz CKSDUYNNPBUGKU-OCCSQVGLSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1c(CN(C)CC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000353486322 220109387 /nfs/dbraw/zinc/10/93/87/220109387.db2.gz XIDGPEOUERVJIE-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN CCCNC(=O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344862271 217337118 /nfs/dbraw/zinc/33/71/18/217337118.db2.gz OEVZOHPKJLIIMF-XYOKQWHBSA-N 0 3 291.351 2.114 20 5 CEBDHN COC[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648127 373599892 /nfs/dbraw/zinc/59/98/92/373599892.db2.gz DUDSXZLJEONSNV-RYUDHWBXSA-N 0 3 282.340 2.215 20 5 CEBDHN CCN1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278419518 374810403 /nfs/dbraw/zinc/81/04/03/374810403.db2.gz OOZSDHIJXWLCNS-UHFFFAOYSA-N 0 3 290.367 2.095 20 5 CEBDHN CC[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368200 374850970 /nfs/dbraw/zinc/85/09/70/374850970.db2.gz WYTSLLXAKUIPKO-ZWNOBZJWSA-N 0 3 291.351 2.362 20 5 CEBDHN COc1ccc(CN[C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000279936703 375036977 /nfs/dbraw/zinc/03/69/77/375036977.db2.gz YNLZFRAEDBOFJE-ZDUSSCGKSA-N 0 3 294.351 2.244 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770649 375244662 /nfs/dbraw/zinc/24/46/62/375244662.db2.gz ARSGAJVTGQDIKC-TZMCWYRMSA-N 0 3 264.325 2.188 20 5 CEBDHN CO[C@H]([C@@H](C)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211704 375284687 /nfs/dbraw/zinc/28/46/87/375284687.db2.gz GJKHURMVIHIDRJ-QMTHXVAHSA-N 0 3 264.325 2.498 20 5 CEBDHN COCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000283812717 375766670 /nfs/dbraw/zinc/76/66/70/375766670.db2.gz BSTVWDODGOPVHQ-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN CC(C)C[C@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096140 375809287 /nfs/dbraw/zinc/80/92/87/375809287.db2.gz MQAKBLVHYLHMDN-CMPLNLGQSA-N 0 3 281.356 2.235 20 5 CEBDHN C[C@H]1CSC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000286151893 375859323 /nfs/dbraw/zinc/85/93/23/375859323.db2.gz VYENUSSLCVQHFN-CABZTGNLSA-N 0 3 252.339 2.436 20 5 CEBDHN COCCN1CC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000286429381 375950081 /nfs/dbraw/zinc/95/00/81/375950081.db2.gz BNTKPBQDERWXLG-NSHDSACASA-N 0 3 299.758 2.381 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CCCC1 ZINC000289635678 376427106 /nfs/dbraw/zinc/42/71/06/376427106.db2.gz UOHSRGVLURXEEQ-AWEZNQCLSA-N 0 3 294.351 2.244 20 5 CEBDHN COc1ccc(CN[C@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000289675664 376442262 /nfs/dbraw/zinc/44/22/62/376442262.db2.gz CCCRTUYCXVHVOS-NXEZZACHSA-N 0 3 268.313 2.116 20 5 CEBDHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000263656662 190072211 /nfs/dbraw/zinc/07/22/11/190072211.db2.gz CQMCLSUUBJLLGH-LLVKDONJSA-N 0 3 250.298 2.315 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](C)O ZINC000305841593 376515690 /nfs/dbraw/zinc/51/56/90/376515690.db2.gz RHNZCVPFEIBBBK-QWRGUYRKSA-N 0 3 252.314 2.277 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)O ZINC000264107917 190091219 /nfs/dbraw/zinc/09/12/19/190091219.db2.gz SLBRAZAZDULBJK-JTQLQIEISA-N 0 3 252.314 2.359 20 5 CEBDHN C[C@H](O)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423434 190109033 /nfs/dbraw/zinc/10/90/33/190109033.db2.gz MVNUBCTWJBQNBM-SWLSCSKDSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1c(CN2CC[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000311802945 376687473 /nfs/dbraw/zinc/68/74/73/376687473.db2.gz BWIFCRROURCOFI-ZDUSSCGKSA-N 0 3 264.325 2.248 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000562443357 376895718 /nfs/dbraw/zinc/89/57/18/376895718.db2.gz GICHDJIAHXPZLV-AWEZNQCLSA-N 0 3 277.368 2.429 20 5 CEBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291077864 377061493 /nfs/dbraw/zinc/06/14/93/377061493.db2.gz MVTLLQQFIPBSRB-NSHDSACASA-N 0 3 282.340 2.460 20 5 CEBDHN Cc1nccnc1CCNCc1csc([N+](=O)[O-])c1 ZINC000293223077 377480714 /nfs/dbraw/zinc/48/07/14/377480714.db2.gz YVSCVSRFPJJUPA-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN C[C@H](NC1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000295863632 378334713 /nfs/dbraw/zinc/33/47/13/378334713.db2.gz WXXHHXFXHKILCY-QMMMGPOBSA-N 0 3 297.742 2.005 20 5 CEBDHN C[C@@H](CC(C)(C)O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296504584 378556056 /nfs/dbraw/zinc/55/60/56/378556056.db2.gz PGLUEVOXGQNJBU-UWVGGRQHSA-N 0 3 281.356 2.377 20 5 CEBDHN Cc1nc(NC[C@@H](C)N2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541903 378568780 /nfs/dbraw/zinc/56/87/80/378568780.db2.gz NYISJZJAXLRNER-WDEREUQCSA-N 0 3 293.371 2.226 20 5 CEBDHN CCS[C@@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000346554256 217941893 /nfs/dbraw/zinc/94/18/93/217941893.db2.gz GNQJAQYJAJCBDB-ZYHUDNBSSA-N 0 3 298.412 2.482 20 5 CEBDHN C[C@H]1CSC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296681470 378615280 /nfs/dbraw/zinc/61/52/80/378615280.db2.gz GXFQSEGHHUYOTJ-UFBFGSQYSA-N 0 3 292.364 2.312 20 5 CEBDHN CC[C@H](Cn1cncn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453248705 378839725 /nfs/dbraw/zinc/83/97/25/378839725.db2.gz RHIYXUYPQICIAN-WCQYABFASA-N 0 3 289.339 2.316 20 5 CEBDHN C[C@@H](NC[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453395570 378885229 /nfs/dbraw/zinc/88/52/29/378885229.db2.gz XJYCTZPWSKYUTA-SCDSUCTJSA-N 0 3 264.325 2.406 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](O)C1 ZINC000347345997 218199446 /nfs/dbraw/zinc/19/94/46/218199446.db2.gz VDEPNAZFVVRNAP-OIOXUXFSSA-N 0 3 262.309 2.065 20 5 CEBDHN Cc1nn(C)c(N[C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301282078 379245104 /nfs/dbraw/zinc/24/51/04/379245104.db2.gz MYQJDRAVKPVLIO-QWRGUYRKSA-N 0 3 295.387 2.169 20 5 CEBDHN Cc1ccnc(NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301310211 379254649 /nfs/dbraw/zinc/25/46/49/379254649.db2.gz ZBLZULDDINKRRK-NSHDSACASA-N 0 3 278.356 2.442 20 5 CEBDHN COC(=O)CC1(NCc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000347625921 218295692 /nfs/dbraw/zinc/29/56/92/218295692.db2.gz CYOJKOKODZXDAQ-UHFFFAOYSA-N 0 3 292.335 2.479 20 5 CEBDHN Cc1nccn1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266860671 190285260 /nfs/dbraw/zinc/28/52/60/190285260.db2.gz LBLVIVVTICVRDS-LLVKDONJSA-N 0 3 274.324 2.451 20 5 CEBDHN COC[C@H](C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000527366565 379753666 /nfs/dbraw/zinc/75/36/66/379753666.db2.gz XBKKMIHUXOYRMP-LLVKDONJSA-N 0 3 264.325 2.235 20 5 CEBDHN C[C@H]1C[C@H]1N1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738900 380127650 /nfs/dbraw/zinc/12/76/50/380127650.db2.gz ZVUJQBNTFLVRJM-SGMGOOAPSA-N 0 3 290.367 2.156 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)n1 ZINC000542864030 380319188 /nfs/dbraw/zinc/31/91/88/380319188.db2.gz CNRHOGGFYKIZPM-LBPRGKRZSA-N 0 3 278.356 2.360 20 5 CEBDHN CCOc1cc(CN(C)CCCOC)ccc1[N+](=O)[O-] ZINC000492355513 380526763 /nfs/dbraw/zinc/52/67/63/380526763.db2.gz HPZHAOZCIVHKPN-UHFFFAOYSA-N 0 3 282.340 2.462 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCCC2)cc1F ZINC000289411929 197334284 /nfs/dbraw/zinc/33/42/84/197334284.db2.gz BDILOQQRGQSHCX-ZDUSSCGKSA-N 0 3 282.315 2.375 20 5 CEBDHN COCCOCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192734101 533087024 /nfs/dbraw/zinc/08/70/24/533087024.db2.gz NDHDXJXDYNMYFD-HNNXBMFYSA-N 0 3 294.351 2.225 20 5 CEBDHN C[C@H]1C[C@@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000289123798 197239842 /nfs/dbraw/zinc/23/98/42/197239842.db2.gz XEXVTZINBDWBQT-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000368468327 285160936 /nfs/dbraw/zinc/16/09/36/285160936.db2.gz DBEYUTWSKHDNDD-GXTWGEPZSA-N 0 3 262.309 2.206 20 5 CEBDHN Cc1ccc(CNCC2=CCCOC2)cc1[N+](=O)[O-] ZINC000288414902 197071729 /nfs/dbraw/zinc/07/17/29/197071729.db2.gz JDEJTPYAGXOGEJ-UHFFFAOYSA-N 0 3 262.309 2.340 20 5 CEBDHN C[C@@H](NCCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000219192568 130774541 /nfs/dbraw/zinc/77/45/41/130774541.db2.gz SWXLKEMZFFTDIB-GFCCVEGCSA-N 0 3 295.408 2.294 20 5 CEBDHN CN(C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263926154 131361893 /nfs/dbraw/zinc/36/18/93/131361893.db2.gz VYFDMYVUSJCWEY-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN CN(C)CCN(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413184775 394500049 /nfs/dbraw/zinc/50/00/49/394500049.db2.gz OIMDUGLIEVTPIW-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN CC(C)(C)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000049480233 394547428 /nfs/dbraw/zinc/54/74/28/394547428.db2.gz BJGJWZPGIHFHSM-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN C[C@H]1[C@H](C)N(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356999384 394677052 /nfs/dbraw/zinc/67/70/52/394677052.db2.gz KLLGECZYJXPSAJ-STQMWFEESA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@H](C1CCC1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357039717 394689757 /nfs/dbraw/zinc/68/97/57/394689757.db2.gz NPQFPRACXOYFPG-SNVBAGLBSA-N 0 3 291.351 2.314 20 5 CEBDHN CC[C@H](N[C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017913 394708008 /nfs/dbraw/zinc/70/80/08/394708008.db2.gz OZUNJCQYKGFUKD-FZMZJTMJSA-N 0 3 289.339 2.316 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272184656 394769588 /nfs/dbraw/zinc/76/95/88/394769588.db2.gz KTAVXEVRHVXEIX-SMDDNHRTSA-N 0 3 261.325 2.125 20 5 CEBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000128139335 394853572 /nfs/dbraw/zinc/85/35/72/394853572.db2.gz ODVRIOAPUAGFEY-BIMULSAOSA-N 0 3 264.325 2.405 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000423589587 394955002 /nfs/dbraw/zinc/95/50/02/394955002.db2.gz AGNOIMOMTGPRFL-RYUDHWBXSA-N 0 3 291.351 2.034 20 5 CEBDHN C[C@H](N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482807 394930000 /nfs/dbraw/zinc/93/00/00/394930000.db2.gz RBLQMRDDSWDBGX-CABZTGNLSA-N 0 3 285.294 2.243 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000158495391 395046956 /nfs/dbraw/zinc/04/69/56/395046956.db2.gz HZUJLQVVYNSADH-MWLCHTKSSA-N 0 3 281.360 2.014 20 5 CEBDHN C[C@H](NCC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397974139 395230550 /nfs/dbraw/zinc/23/05/50/395230550.db2.gz IRDZGESEPAYLSC-NSHDSACASA-N 0 3 263.341 2.340 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(CCN1CCCCC1)CC2 ZINC000088608048 296509346 /nfs/dbraw/zinc/50/93/46/296509346.db2.gz DRULPWYQJSVXRD-UHFFFAOYSA-N 0 3 289.379 2.439 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ncc([N+](=O)[O-])s1 ZINC000443515409 395400848 /nfs/dbraw/zinc/40/08/48/395400848.db2.gz KDBFWNYCIILTJB-NXEZZACHSA-N 0 3 284.385 2.148 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189651627 153101969 /nfs/dbraw/zinc/10/19/69/153101969.db2.gz FMPHQYYVFAVYRM-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1cc(NC(=O)C23CCCN2CCC3)ccc1[N+](=O)[O-] ZINC000368259565 156311788 /nfs/dbraw/zinc/31/17/88/156311788.db2.gz JUGNCSUJFXITFM-UHFFFAOYSA-N 0 3 289.335 2.470 20 5 CEBDHN COCCC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000180414537 292382956 /nfs/dbraw/zinc/38/29/56/292382956.db2.gz PJTBISNRYPWEGH-NSHDSACASA-N 0 3 252.314 2.500 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C(C)C ZINC000180616187 165317328 /nfs/dbraw/zinc/31/73/28/165317328.db2.gz VLPGLBVFPRPWSR-CQSZACIVSA-N 0 3 296.367 2.489 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCNC[C@@H]1C(F)F ZINC000563135552 298740857 /nfs/dbraw/zinc/74/08/57/298740857.db2.gz MNWIAYYIXFOHHC-MASHWEEQSA-N 0 3 297.305 2.147 20 5 CEBDHN COc1ccc(CNCCc2ccccn2)cc1[N+](=O)[O-] ZINC000021817108 171332961 /nfs/dbraw/zinc/33/29/61/171332961.db2.gz UTVXTTONAYSTKW-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CN(C)C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397758112 270354899 /nfs/dbraw/zinc/35/48/99/270354899.db2.gz HCQWCYXJHGXDGE-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN C[C@@H]1[C@H](CO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425977938 271192955 /nfs/dbraw/zinc/19/29/55/271192955.db2.gz NLZHJRLXVYLZQM-LJXYTEIVSA-N 0 3 276.336 2.311 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1CCO ZINC000428453559 271268955 /nfs/dbraw/zinc/26/89/55/271268955.db2.gz PMRWANZVRIYQAU-XSHSDMCLSA-N 0 3 276.336 2.455 20 5 CEBDHN C[C@@H](N[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963673 277632847 /nfs/dbraw/zinc/63/28/47/277632847.db2.gz REWPPHCKZACSLO-PWSUYJOCSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000230151995 279054417 /nfs/dbraw/zinc/05/44/17/279054417.db2.gz RJBWWYGDBYENAO-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H](N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685731 279541673 /nfs/dbraw/zinc/54/16/73/279541673.db2.gz LKUHYIXTGKDSGQ-AAEUAGOBSA-N 0 3 275.352 2.482 20 5 CEBDHN C[C@@H](O)CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247687292 280338306 /nfs/dbraw/zinc/33/83/06/280338306.db2.gz VHJWBFMZWPBBIA-GHMZBOCLSA-N 0 3 252.314 2.359 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H]1CO ZINC000249026197 280379954 /nfs/dbraw/zinc/37/99/54/280379954.db2.gz AJHWMVBFHMLOEF-QMTHXVAHSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](CCO)CCNCc1ccccc1[N+](=O)[O-] ZINC000397619618 280680786 /nfs/dbraw/zinc/68/07/86/280680786.db2.gz GFFCXYPMRSMTKX-NSHDSACASA-N 0 3 252.314 2.093 20 5 CEBDHN Cc1ccc(CNCC2=CCOCC2)cc1[N+](=O)[O-] ZINC000397745323 280683142 /nfs/dbraw/zinc/68/31/42/280683142.db2.gz KCDTYMNCWZTIGU-UHFFFAOYSA-N 0 3 262.309 2.340 20 5 CEBDHN CCOc1cc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000397978059 280689169 /nfs/dbraw/zinc/68/91/69/280689169.db2.gz JWHBRRXMCLXWEL-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN COc1ccc(CNC[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000398224729 280689752 /nfs/dbraw/zinc/68/97/52/280689752.db2.gz PKPPRJFLJLOCHJ-CMPLNLGQSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](O)C1 ZINC000272365446 281020415 /nfs/dbraw/zinc/02/04/15/281020415.db2.gz SWSJFDZZTQXCME-PWSUYJOCSA-N 0 3 250.298 2.031 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1CC(O)C1 ZINC000432353397 281324227 /nfs/dbraw/zinc/32/42/27/281324227.db2.gz LEOXPZRSEYGJIE-UHFFFAOYSA-N 0 3 294.351 2.244 20 5 CEBDHN CSCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000156197921 289191583 /nfs/dbraw/zinc/19/15/83/289191583.db2.gz HOTDVRLYPWUQTJ-UHFFFAOYSA-N 0 3 270.354 2.268 20 5 CEBDHN CCO[C@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000459653783 290205148 /nfs/dbraw/zinc/20/51/48/290205148.db2.gz YOYJCRCSSUEUQM-TXEJJXNPSA-N 0 3 280.324 2.261 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCCCO ZINC000471807485 290285594 /nfs/dbraw/zinc/28/55/94/290285594.db2.gz CEAHZWRHDUDYCH-SOFGYWHQSA-N 0 3 264.325 2.312 20 5 CEBDHN C[C@H](NCCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712047 298117257 /nfs/dbraw/zinc/11/72/57/298117257.db2.gz CQSBGJNHODXHIE-SWLSCSKDSA-N 0 3 294.351 2.441 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)Cc1ccco1 ZINC000537316681 298209016 /nfs/dbraw/zinc/20/90/16/298209016.db2.gz BKIUSNHXAFUFHL-LBPRGKRZSA-N 0 3 290.319 2.129 20 5 CEBDHN C[C@@H]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000525288078 313148011 /nfs/dbraw/zinc/14/80/11/313148011.db2.gz XARFLUAACGDNCV-LLVKDONJSA-N 0 3 292.339 2.058 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCCC1=O ZINC000564578095 313769295 /nfs/dbraw/zinc/76/92/95/313769295.db2.gz SHLBFXKOXJPLDK-LBPRGKRZSA-N 0 3 291.351 2.176 20 5 CEBDHN Cc1cc(N2CCNC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000388486341 321886290 /nfs/dbraw/zinc/88/62/90/321886290.db2.gz WYMLZWLNOJXIHW-UHFFFAOYSA-N 0 3 267.304 2.231 20 5 CEBDHN C[C@H](NCCCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000390178866 321893415 /nfs/dbraw/zinc/89/34/15/321893415.db2.gz PXCRLMUZTDOCIS-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCCC2)c(F)c1 ZINC000583190907 322530007 /nfs/dbraw/zinc/53/00/07/322530007.db2.gz JWAUPAJXLLDMFC-LLVKDONJSA-N 0 3 294.330 2.194 20 5 CEBDHN CC[C@H](NCC(C)(C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000183832384 522565546 /nfs/dbraw/zinc/56/55/46/522565546.db2.gz MZSGQYZBMGEEOT-ZDUSSCGKSA-N 0 3 293.367 2.408 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C(C)(C)C ZINC000289575923 522957682 /nfs/dbraw/zinc/95/76/82/522957682.db2.gz YTZMJGWJEJJCDE-CQSZACIVSA-N 0 3 280.368 2.476 20 5 CEBDHN CO[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676088 523598813 /nfs/dbraw/zinc/59/88/13/523598813.db2.gz PFDZMZSUFBRARI-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000069223869 524691897 /nfs/dbraw/zinc/69/18/97/524691897.db2.gz KSSQBLKIKMRFRP-JTQLQIEISA-N 0 3 292.339 2.199 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312136 525899888 /nfs/dbraw/zinc/89/98/88/525899888.db2.gz UQPBCDLSYGIUIA-NWJBQHJCSA-N 0 3 284.381 2.321 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCCC[C@@H]2O)c1 ZINC000052926290 527387052 /nfs/dbraw/zinc/38/70/52/527387052.db2.gz ZYNIYWVUFOWANS-KGLIPLIRSA-N 0 3 264.325 2.378 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](CC(F)(F)F)C2)n1 ZINC000278643484 527407633 /nfs/dbraw/zinc/40/76/33/527407633.db2.gz HCBXVXXZILNVTE-SECBINFHSA-N 0 3 292.261 2.066 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000354960052 527772711 /nfs/dbraw/zinc/77/27/11/527772711.db2.gz NHVAQQRKPAEYDH-TUKIKUTGSA-N 0 3 294.351 2.439 20 5 CEBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413033604 528990432 /nfs/dbraw/zinc/99/04/32/528990432.db2.gz MPLJZNHHUUSVHR-UHFFFAOYSA-N 0 3 268.292 2.025 20 5 CEBDHN C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000751925340 574474518 /nfs/dbraw/zinc/47/45/18/574474518.db2.gz DOOKBJSWDYIDQO-GHMZBOCLSA-N 0 3 274.324 2.490 20 5 CEBDHN C[C@@H]1C[C@@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082014 575246023 /nfs/dbraw/zinc/24/60/23/575246023.db2.gz QAGAEXBOBDOTSZ-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN CC(COC(=O)c1cccc2c1OCC2(C)C)[N+](=O)[O-] ZINC000813105195 623024291 /nfs/dbraw/zinc/02/42/91/623024291.db2.gz WUTDHNOUHULCGS-VIFPVBQESA-N 0 3 279.292 2.179 20 5 CEBDHN Cc1cc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111527 623048134 /nfs/dbraw/zinc/04/81/34/623048134.db2.gz IQCDPSALISFAIY-NSHDSACASA-N 0 3 276.292 2.158 20 5 CEBDHN CC(COC(=O)[C@H]1COc2ccc(Cl)cc2C1)[N+](=O)[O-] ZINC000813115620 623084706 /nfs/dbraw/zinc/08/47/06/623084706.db2.gz WRDFLDSMKPYMNS-PSASIEDQSA-N 0 3 299.710 2.100 20 5 CEBDHN COc1c(O)ccc(CN2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892068806 624292303 /nfs/dbraw/zinc/29/23/03/624292303.db2.gz TUDOWYKRWDUMFE-UWVGGRQHSA-N 0 3 280.324 2.397 20 5 CEBDHN Cc1cc(NCc2cccc([N+](=O)[O-])c2C)nc(N)n1 ZINC000235854107 625774730 /nfs/dbraw/zinc/77/47/30/625774730.db2.gz FJLNLAMSUVAWTI-UHFFFAOYSA-N 0 3 273.296 2.196 20 5 CEBDHN CC(C)(O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000311088881 627365126 /nfs/dbraw/zinc/36/51/26/627365126.db2.gz PGTRSDWXRONADR-UHFFFAOYSA-N 0 3 272.732 2.499 20 5 CEBDHN CN1C[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941995 629056150 /nfs/dbraw/zinc/05/61/50/629056150.db2.gz YGFJBWKRYKSYLH-IUODEOHRSA-N 0 3 298.346 2.283 20 5 CEBDHN O=[N+]([O-])CCN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000791053846 629244687 /nfs/dbraw/zinc/24/46/87/629244687.db2.gz HZXJYMPFSPWQMZ-TZMCWYRMSA-N 0 3 264.325 2.021 20 5 CEBDHN COc1cc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000895739060 630319895 /nfs/dbraw/zinc/31/98/95/630319895.db2.gz ATSUXOREZZOFQR-PSASIEDQSA-N 0 3 283.303 2.247 20 5 CEBDHN C[C@@H](NCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083446 632450863 /nfs/dbraw/zinc/45/08/63/632450863.db2.gz GWMHJXOHKRTACP-BXUZGUMPSA-N 0 3 280.324 2.051 20 5 CEBDHN CCO[C@H](C)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101607 632620943 /nfs/dbraw/zinc/62/09/43/632620943.db2.gz FGZMHYMMAKZBAH-HTQZYQBOSA-N 0 3 288.325 2.063 20 5 CEBDHN CCc1cccc2c(CC(=O)OCC(C)[N+](=O)[O-])c[nH]c21 ZINC000813102869 632622058 /nfs/dbraw/zinc/62/20/58/632622058.db2.gz KTAIVHGJMQAPMQ-JTQLQIEISA-N 0 3 290.319 2.481 20 5 CEBDHN COc1ccc(S[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105735 632623569 /nfs/dbraw/zinc/62/35/69/632623569.db2.gz SWSUQDVFJVDUTM-VHSXEESVSA-N 0 3 299.348 2.384 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1 ZINC000813106019 632623889 /nfs/dbraw/zinc/62/38/89/632623889.db2.gz XNXWPXWLQGQPEM-SNVBAGLBSA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)c1c[nH]nc1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813106894 632624942 /nfs/dbraw/zinc/62/49/42/632624942.db2.gz HISGNBSUUQPWNY-QMMMGPOBSA-N 0 3 293.254 2.038 20 5 CEBDHN CC(COC(=O)c1cnc(-c2ccco2)s1)[N+](=O)[O-] ZINC000813108741 632625212 /nfs/dbraw/zinc/62/52/12/632625212.db2.gz LHWIPPAWANKWKI-ZETCQYMHSA-N 0 3 282.277 2.225 20 5 CEBDHN CCCOc1nc(C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109219 632625796 /nfs/dbraw/zinc/62/57/96/632625796.db2.gz PVEHZQCSGYQQEN-JTQLQIEISA-N 0 3 282.296 2.001 20 5 CEBDHN CC(COC(=O)CCc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813109152 632625769 /nfs/dbraw/zinc/62/57/69/632625769.db2.gz GIGSFIGQQFEKQT-SECBINFHSA-N 0 3 271.700 2.481 20 5 CEBDHN CC(COC(=O)c1cn(C)nc1C1CCCCC1)[N+](=O)[O-] ZINC000813108236 632625915 /nfs/dbraw/zinc/62/59/15/632625915.db2.gz WIXAYVASVAOQCC-SNVBAGLBSA-N 0 3 295.339 2.290 20 5 CEBDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112095 632627093 /nfs/dbraw/zinc/62/70/93/632627093.db2.gz ZNCBHJOPCUKXIG-OPRDCNLKSA-N 0 3 269.322 2.368 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813112234 632627521 /nfs/dbraw/zinc/62/75/21/632627521.db2.gz OFFMOAVSQDHKNX-MNOVXSKESA-N 0 3 290.319 2.490 20 5 CEBDHN CC(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813111894 632627909 /nfs/dbraw/zinc/62/79/09/632627909.db2.gz BDVULBRQAPMLNA-LURJTMIESA-N 0 3 288.643 2.070 20 5 CEBDHN Cn1ncc(CNCCc2ccccc2[N+](=O)[O-])c1Cl ZINC000815126779 632965375 /nfs/dbraw/zinc/96/53/75/632965375.db2.gz GGAPWIUZRQVWEK-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN C[C@H](Cc1cccc(Br)c1)NCC[N+](=O)[O-] ZINC000899876950 633068390 /nfs/dbraw/zinc/06/83/90/633068390.db2.gz VXTZQPAUDYMOJQ-SECBINFHSA-N 0 3 287.157 2.246 20 5 CEBDHN CN[C@@H](C)c1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398138 634090589 /nfs/dbraw/zinc/09/05/89/634090589.db2.gz JYQOTZGIROYEBR-ZETCQYMHSA-N 0 3 291.263 2.259 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092781 634975327 /nfs/dbraw/zinc/97/53/27/634975327.db2.gz LWVWPNOKMBPGGH-JQWIXIFHSA-N 0 3 280.324 2.433 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](CO)C1 ZINC000876659776 650383922 /nfs/dbraw/zinc/38/39/22/650383922.db2.gz FXBLWQFHWYOGLD-LBPRGKRZSA-N 0 3 264.325 2.026 20 5 CEBDHN CC[C@H](CC(F)(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000835457655 638264058 /nfs/dbraw/zinc/26/40/58/638264058.db2.gz XZIPQDQFPRRJIE-RNFRBKRXSA-N 0 3 257.208 2.173 20 5 CEBDHN C[C@@]1(O)C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000841891848 639901437 /nfs/dbraw/zinc/90/14/37/639901437.db2.gz QNLTWASJQGHNSM-WVSHTKLVSA-N 0 3 270.716 2.251 20 5 CEBDHN CC(COC(=O)C[C@@]1(C)CC1(Cl)Cl)[N+](=O)[O-] ZINC000835455108 640510680 /nfs/dbraw/zinc/51/06/80/640510680.db2.gz MTICKPXBNXBLCT-SVRRBLITSA-N 0 3 270.112 2.169 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844469778 640740914 /nfs/dbraw/zinc/74/09/14/640740914.db2.gz DZTLNDDMDYUGBM-STQMWFEESA-N 0 3 298.289 2.359 20 5 CEBDHN CC(COC(=O)c1cc[nH]c1C1CCC1)[N+](=O)[O-] ZINC000845577607 641003130 /nfs/dbraw/zinc/00/31/30/641003130.db2.gz XSJWIDDJKONACH-QMMMGPOBSA-N 0 3 252.270 2.104 20 5 CEBDHN CC(COC(=O)C[C@@H](C)N1CCc2ccccc21)[N+](=O)[O-] ZINC000847714412 641748102 /nfs/dbraw/zinc/74/81/02/641748102.db2.gz UABZFXHCBDAWFE-VXGBXAGGSA-N 0 3 292.335 2.036 20 5 CEBDHN CCOc1ccc([C@@H](C)NCCN(C)OC)cc1[N+](=O)[O-] ZINC000850479430 642726165 /nfs/dbraw/zinc/72/61/65/642726165.db2.gz SSVFOEZIYJTMLN-LLVKDONJSA-N 0 3 297.355 2.137 20 5 CEBDHN CC(COC(=O)[C@@H]1CCc2cc(F)ccc21)[N+](=O)[O-] ZINC000851036771 642890464 /nfs/dbraw/zinc/89/04/64/642890464.db2.gz MXICNHBGVQATSE-QPUJVOFHSA-N 0 3 267.256 2.064 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@]23C[C@H]2COC32CCC2)c1 ZINC000923033797 643521693 /nfs/dbraw/zinc/52/16/93/643521693.db2.gz CLODRCONBJUMRT-SWLSCSKDSA-N 0 3 274.320 2.396 20 5 CEBDHN N[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1F ZINC000852761376 643541808 /nfs/dbraw/zinc/54/18/08/643541808.db2.gz VINHYNGFFIOEJA-VXGBXAGGSA-N 0 3 287.722 2.119 20 5 CEBDHN Cc1cc(C)cc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000853126481 643669104 /nfs/dbraw/zinc/66/91/04/643669104.db2.gz GVEOCDKKNSDLHV-LLVKDONJSA-N 0 3 251.282 2.054 20 5 CEBDHN CC(C)(NC[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000839024700 644127598 /nfs/dbraw/zinc/12/75/98/644127598.db2.gz ZLVSMGWSPAGMSW-CYBMUJFWSA-N 0 3 264.325 2.190 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H](CO)CC2CC2)c1 ZINC000754832756 644437541 /nfs/dbraw/zinc/43/75/41/644437541.db2.gz KFNKILDIVHZWGW-LLVKDONJSA-N 0 3 284.743 2.499 20 5 CEBDHN CCCN(C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756999232 644716768 /nfs/dbraw/zinc/71/67/68/644716768.db2.gz YKNFRRLEBBUUJU-UHFFFAOYSA-N 0 3 299.758 2.206 20 5 CEBDHN C[C@@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740240 645572907 /nfs/dbraw/zinc/57/29/07/645572907.db2.gz YVDFMJAFZCBRNV-MFKMUULPSA-N 0 3 290.319 2.341 20 5 CEBDHN COc1ccc(CN(C)CCCF)cc1[N+](=O)[O-] ZINC000766879277 645931799 /nfs/dbraw/zinc/93/17/99/645931799.db2.gz WPUPKXRMMPJWQI-UHFFFAOYSA-N 0 3 256.277 2.395 20 5 CEBDHN CO[C@H]1C[C@@H](CN2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000878303778 651059997 /nfs/dbraw/zinc/05/99/97/651059997.db2.gz YZFQACBDOIUWAW-BJHJDKERSA-N 0 3 276.336 2.378 20 5 CEBDHN CCOC(=O)C1=CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000862487901 646478704 /nfs/dbraw/zinc/47/87/04/646478704.db2.gz XPIWEFJUOWHQDT-ZDUSSCGKSA-N 0 3 290.319 2.336 20 5 CEBDHN COc1cc(CNC[C@H]2CCC=CO2)c([N+](=O)[O-])cc1O ZINC000780568129 647446508 /nfs/dbraw/zinc/44/65/08/647446508.db2.gz WNJFEERVXMRRGT-LLVKDONJSA-N 0 3 294.307 2.091 20 5 CEBDHN COc1cc(C[NH2+]CCC(C)(C)OC)c([N+](=O)[O-])cc1[O-] ZINC000865755759 647453617 /nfs/dbraw/zinc/45/36/17/647453617.db2.gz IELOJYYSKCNLOE-UHFFFAOYSA-N 0 3 298.339 2.214 20 5 CEBDHN CN1CCN(c2ncc([N+](=O)[O-])cc2F)CCC1(C)C ZINC000866113286 647615388 /nfs/dbraw/zinc/61/53/88/647615388.db2.gz YMKOHEPTEOBQFZ-UHFFFAOYSA-N 0 3 282.319 2.049 20 5 CEBDHN N=C(COC1CCC1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000871775617 649180406 /nfs/dbraw/zinc/18/04/06/649180406.db2.gz NQHUGPOVNJEZSM-UHFFFAOYSA-N 0 3 297.286 2.301 20 5 CEBDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129829 649287781 /nfs/dbraw/zinc/28/77/81/649287781.db2.gz WXWCXTRZODJRRM-RSLMWUCJSA-N 0 3 292.335 2.443 20 5 CEBDHN CCOc1cc(CN2[C@@H](C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000880440132 651441694 /nfs/dbraw/zinc/44/16/94/651441694.db2.gz SUOFIDPYBTUZSA-AAEUAGOBSA-N 0 3 294.351 2.339 20 5 CEBDHN CC(=O)c1c(NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000881849490 651900839 /nfs/dbraw/zinc/90/08/39/651900839.db2.gz PAIVOWLEUNLTPY-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CC[S@](=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130919125 652355362 /nfs/dbraw/zinc/35/53/62/652355362.db2.gz KNEQCELWNOAAOB-MLCYQJTMSA-N 0 3 270.354 2.014 20 5 CEBDHN Cc1c(CN[C@H]2CCCC23OCCO3)cccc1[N+](=O)[O-] ZINC000883178520 652390691 /nfs/dbraw/zinc/39/06/91/652390691.db2.gz YMZAPFQPMNTGFQ-AWEZNQCLSA-N 0 3 292.335 2.288 20 5 CEBDHN Cc1c(N[C@H]2CCN(C)C2)cc(F)cc1[N+](=O)[O-] ZINC001167275086 802622516 /nfs/dbraw/zinc/62/25/16/802622516.db2.gz DPYWDRBEVCPQIX-JTQLQIEISA-N 0 3 253.277 2.158 20 5 CEBDHN CN1CCN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001115829105 814759138 /nfs/dbraw/zinc/75/91/38/814759138.db2.gz DINOPKDCQPGINK-UHFFFAOYSA-N 0 3 292.383 2.033 20 5 CEBDHN C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000696035775 807127851 /nfs/dbraw/zinc/12/78/51/807127851.db2.gz YPHBWVWGODEVTJ-SECBINFHSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000700628001 809333301 /nfs/dbraw/zinc/33/33/01/809333301.db2.gz WNIFWXZERJFYIO-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000700628002 809333667 /nfs/dbraw/zinc/33/36/67/809333667.db2.gz WNIFWXZERJFYIO-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1ncc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000113711396 810304041 /nfs/dbraw/zinc/30/40/41/810304041.db2.gz YCWOJQZKISAMHW-CYBMUJFWSA-N 0 3 293.348 2.183 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCC[C@H](C)C1 ZINC000824614967 810703884 /nfs/dbraw/zinc/70/38/84/810703884.db2.gz HGWBWKSBKNIYDD-NSHDSACASA-N 0 3 294.355 2.142 20 5 CEBDHN CN1CC(CNc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001170254091 812372438 /nfs/dbraw/zinc/37/24/38/812372438.db2.gz IFMVKAHKTAOSEM-UHFFFAOYSA-N 0 3 260.297 2.050 20 5 CEBDHN COC(CN(C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)OC ZINC001173234003 815632544 /nfs/dbraw/zinc/63/25/44/815632544.db2.gz NUVFCQJOVMEPDC-NSHDSACASA-N 0 3 282.340 2.077 20 5 CEBDHN C[C@H](NCC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298730 346815022 /nfs/dbraw/zinc/81/50/22/346815022.db2.gz KDLSQEDKVKPFJO-GZMMTYOYSA-N 0 3 274.267 2.262 20 5 CEBDHN CCC[C@@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079929077 343994732 /nfs/dbraw/zinc/99/47/32/343994732.db2.gz DVGHNWNERQMDPC-GXTWGEPZSA-N 0 3 291.351 2.304 20 5 CEBDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879177 187203399 /nfs/dbraw/zinc/20/33/99/187203399.db2.gz WUHBMTIOERYVFK-AAEUAGOBSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@@H](NCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000041063986 362016652 /nfs/dbraw/zinc/01/66/52/362016652.db2.gz JCWJMQKTHKPWNC-LLVKDONJSA-N 0 3 260.297 2.142 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCOCC(F)(F)F)cc1 ZINC000042343026 362085300 /nfs/dbraw/zinc/08/53/00/362085300.db2.gz XQGHGGRBJKPWRN-UHFFFAOYSA-N 0 3 278.230 2.263 20 5 CEBDHN CCN1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000029606050 343400530 /nfs/dbraw/zinc/40/05/30/343400530.db2.gz YJQQWZILBAIBEJ-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CC1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000046957856 343507947 /nfs/dbraw/zinc/50/79/47/343507947.db2.gz LEBRXORCPZSFRP-UHFFFAOYSA-N 0 3 291.351 2.057 20 5 CEBDHN Cc1nn(C)c(NC[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000052101817 343555828 /nfs/dbraw/zinc/55/58/28/343555828.db2.gz IDXPJBNBGZWVJE-WDEREUQCSA-N 0 3 295.387 2.312 20 5 CEBDHN Cc1nn(C)c(NC[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160104 343557035 /nfs/dbraw/zinc/55/70/35/343557035.db2.gz KWXJSSFPOPAECO-WDEREUQCSA-N 0 3 295.387 2.169 20 5 CEBDHN CC(C)N1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068798816 343773958 /nfs/dbraw/zinc/77/39/58/343773958.db2.gz SZKZHECKOJOFIG-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN O=C(NCCN1CCCCCC1)c1csc([N+](=O)[O-])c1 ZINC000048573190 362286169 /nfs/dbraw/zinc/28/61/69/362286169.db2.gz LMQSSSWOZNYIRV-UHFFFAOYSA-N 0 3 297.380 2.262 20 5 CEBDHN COC1CCN(CCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088728100 344113452 /nfs/dbraw/zinc/11/34/52/344113452.db2.gz BNSHHOQDYNPHLI-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCO ZINC000602506920 347061181 /nfs/dbraw/zinc/06/11/81/347061181.db2.gz YHEWYDMTYWGHLN-UHFFFAOYSA-N 0 3 278.230 2.086 20 5 CEBDHN COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000449743231 282349606 /nfs/dbraw/zinc/34/96/06/282349606.db2.gz VVEVXBDKRWCVRU-JQWIXIFHSA-N 0 3 292.335 2.445 20 5 CEBDHN Cc1c([C@@H](C)NCC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000305192170 344710039 /nfs/dbraw/zinc/71/00/39/344710039.db2.gz YLUZVCSWYDYZDT-LLVKDONJSA-N 0 3 264.325 2.326 20 5 CEBDHN CC[C@H](NC/C(C)=C\c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776079 282363091 /nfs/dbraw/zinc/36/30/91/282363091.db2.gz OCNNNPYLQGXYMN-MSKHEQNASA-N 0 3 291.351 2.112 20 5 CEBDHN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877316 345103845 /nfs/dbraw/zinc/10/38/45/345103845.db2.gz QMYOHBYWWCWOMJ-LBPRGKRZSA-N 0 3 290.367 2.300 20 5 CEBDHN CN1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000590011361 345109824 /nfs/dbraw/zinc/10/98/24/345109824.db2.gz INMSSCAQKZWFCI-FZMZJTMJSA-N 0 3 295.770 2.384 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H](F)CN2)c(Cl)c1 ZINC000591281627 345237455 /nfs/dbraw/zinc/23/74/55/345237455.db2.gz GDNGLBDYDOXTHZ-UWVGGRQHSA-N 0 3 287.722 2.038 20 5 CEBDHN N[C@@H]1CCCc2cn(Cc3c(F)cccc3[N+](=O)[O-])nc21 ZINC000591686585 345273964 /nfs/dbraw/zinc/27/39/64/345273964.db2.gz CBUKSTWUPFWTIC-GFCCVEGCSA-N 0 3 290.298 2.315 20 5 CEBDHN C[C@](O)(CNCCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000591758018 345277533 /nfs/dbraw/zinc/27/75/33/345277533.db2.gz KKYFKFOJYMSCRD-NSHDSACASA-N 0 3 292.257 2.040 20 5 CEBDHN C[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764263 345278567 /nfs/dbraw/zinc/27/85/67/345278567.db2.gz AQIJPOZOMDEIHZ-SSDOTTSWSA-N 0 3 278.230 2.084 20 5 CEBDHN Cc1c([C@H](C)NCCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000593724075 345527901 /nfs/dbraw/zinc/52/79/01/345527901.db2.gz UNQFWPHYDDJRDX-LBPRGKRZSA-N 0 3 291.351 2.176 20 5 CEBDHN CCC[C@H](NC[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514457 345641313 /nfs/dbraw/zinc/64/13/13/345641313.db2.gz YEOVTNGXYPERHZ-LSDHHAIUSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000595104764 345742929 /nfs/dbraw/zinc/74/29/29/345742929.db2.gz UMQBJRUOUZNATJ-GMTAPVOTSA-N 0 3 250.298 2.077 20 5 CEBDHN Cc1ccc(CN[C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594967412 345719060 /nfs/dbraw/zinc/71/90/60/345719060.db2.gz YQSXNWOZCNHHIP-NSHDSACASA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCO[C@H]2CC2(F)F)cc1 ZINC000594971133 345719732 /nfs/dbraw/zinc/71/97/32/345719732.db2.gz VWHOHBXBSDRBHR-NSHDSACASA-N 0 3 272.251 2.109 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)CC1CC1 ZINC000594983951 345721367 /nfs/dbraw/zinc/72/13/67/345721367.db2.gz RXDMMZDRFFVZMF-GFCCVEGCSA-N 0 3 264.325 2.093 20 5 CEBDHN CO[C@@]1(C)C[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000594995980 345723334 /nfs/dbraw/zinc/72/33/34/345723334.db2.gz PMBUBLOWHSDNJZ-RKWPFYGESA-N 0 3 262.309 2.375 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCOC1 ZINC000595009267 345726145 /nfs/dbraw/zinc/72/61/45/345726145.db2.gz BHHUCHZXEVRANZ-MNOVXSKESA-N 0 3 280.324 2.433 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(C2CC2)C2(CO)CCC2)c1 ZINC000595542715 345807535 /nfs/dbraw/zinc/80/75/35/345807535.db2.gz WMRYEGIXYPEAQQ-UHFFFAOYSA-N 0 3 276.336 2.474 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCC[C@H]1CCO ZINC000595454710 345786650 /nfs/dbraw/zinc/78/66/50/345786650.db2.gz OGGVGTZTNJCYBI-GXFFZTMASA-N 0 3 282.315 2.375 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595457897 345788347 /nfs/dbraw/zinc/78/83/47/345788347.db2.gz CWSPIQVBBWZOOM-CABZTGNLSA-N 0 3 268.288 2.249 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000595632302 345833367 /nfs/dbraw/zinc/83/33/67/345833367.db2.gz DESNSXYSQRITRX-VNHYZAJKSA-N 0 3 276.336 2.188 20 5 CEBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595781003 345875135 /nfs/dbraw/zinc/87/51/35/345875135.db2.gz OPJZDAFAXVUALS-OLZOCXBDSA-N 0 3 294.351 2.473 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOCCF ZINC000596095516 345938449 /nfs/dbraw/zinc/93/84/49/345938449.db2.gz QLQZJQDYGFVZJE-LBPRGKRZSA-N 0 3 268.288 2.158 20 5 CEBDHN Cc1ccc([C@H](C)NCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000128317604 187363903 /nfs/dbraw/zinc/36/39/03/187363903.db2.gz XJFPWLUNDAAQIA-NSHDSACASA-N 0 3 291.351 2.080 20 5 CEBDHN C[C@H](C[NH+]1CCC(C)CC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596488843 346036823 /nfs/dbraw/zinc/03/68/23/346036823.db2.gz SFDSJIPLVOARQP-LLVKDONJSA-N 0 3 294.355 2.228 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597232807 346156459 /nfs/dbraw/zinc/15/64/59/346156459.db2.gz XOXOTCPKHLYHCA-KGLIPLIRSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)[C@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597237063 346158037 /nfs/dbraw/zinc/15/80/37/346158037.db2.gz WIOMLMSYTJLQER-WFASDCNBSA-N 0 3 278.352 2.354 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000598343208 346331697 /nfs/dbraw/zinc/33/16/97/346331697.db2.gz UAKDFTLBWNHAGV-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000598342400 346331915 /nfs/dbraw/zinc/33/19/15/346331915.db2.gz MNUIACZXIPMKTH-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000295144529 199371299 /nfs/dbraw/zinc/37/12/99/199371299.db2.gz QIFGSDDNKOOJPY-LBPRGKRZSA-N 0 3 252.314 2.106 20 5 CEBDHN CO[C@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599093647 346458983 /nfs/dbraw/zinc/45/89/83/346458983.db2.gz UOLLAGNAIJAQIJ-KWBADKCTSA-N 0 3 262.309 2.349 20 5 CEBDHN Cc1c(CN(C)CC2(C)COC2)cccc1[N+](=O)[O-] ZINC000599571428 346539507 /nfs/dbraw/zinc/53/95/07/346539507.db2.gz HAXYLQCCDWCZNS-UHFFFAOYSA-N 0 3 264.325 2.372 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](N2CCCC2)C1 ZINC000601105631 346753960 /nfs/dbraw/zinc/75/39/60/346753960.db2.gz JRHSJHFKTCRWSC-LBPRGKRZSA-N 0 3 294.330 2.194 20 5 CEBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]2C1 ZINC000601185219 346780033 /nfs/dbraw/zinc/78/00/33/346780033.db2.gz RSEQAMMVSNMWLX-ZJUUUORDSA-N 0 3 296.758 2.031 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cnccc1C ZINC000602808719 347208080 /nfs/dbraw/zinc/20/80/80/347208080.db2.gz ZAWXQHWFNMRDRA-LLVKDONJSA-N 0 3 289.339 2.154 20 5 CEBDHN CC(C)(C)[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603160242 347300241 /nfs/dbraw/zinc/30/02/41/347300241.db2.gz GBOLEMCZSVCYLT-CYBMUJFWSA-N 0 3 289.339 2.281 20 5 CEBDHN Cc1ccc([C@@H](C)NCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000085982720 179209952 /nfs/dbraw/zinc/20/99/52/179209952.db2.gz LVZOJIBSFUFKFV-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1nccn1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832891 365898745 /nfs/dbraw/zinc/89/87/45/365898745.db2.gz GCJSRQSNSTYVNX-LLVKDONJSA-N 0 3 274.324 2.451 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])s1 ZINC000610160571 347661711 /nfs/dbraw/zinc/66/17/11/347661711.db2.gz YOWWQIKFBLLMEL-JTQLQIEISA-N 0 3 269.370 2.434 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCOC(C)C ZINC000612593491 347905441 /nfs/dbraw/zinc/90/54/41/347905441.db2.gz DFMOIJWBDBSWHH-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN Cc1c(CN2C[C@@H](C)N(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000351952130 219263705 /nfs/dbraw/zinc/26/37/05/219263705.db2.gz RCRJLLUFIVRNPP-VXGBXAGGSA-N 0 3 277.368 2.428 20 5 CEBDHN CSC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825297 539731355 /nfs/dbraw/zinc/73/13/55/539731355.db2.gz AHYOZPFHQURLRZ-ZWNOBZJWSA-N 0 3 284.381 2.359 20 5 CEBDHN CCC[C@@H](NCC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949073 180071074 /nfs/dbraw/zinc/07/10/74/180071074.db2.gz LSHXCOQUNGJKAH-LSDHHAIUSA-N 0 3 296.367 2.423 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093237 233337101 /nfs/dbraw/zinc/33/71/01/233337101.db2.gz RTHWCYYMQRLSLG-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000104953980 186034220 /nfs/dbraw/zinc/03/42/20/186034220.db2.gz ZWOWARHCCQPFAU-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)Cc1ccccc1 ZINC000105493449 186061152 /nfs/dbraw/zinc/06/11/52/186061152.db2.gz ARTPDJKPVINYMI-OAHLLOKOSA-N 0 3 286.331 2.288 20 5 CEBDHN CC(=O)c1ccc(N(C)CCCN(C)C)c([N+](=O)[O-])c1 ZINC000111138298 186357182 /nfs/dbraw/zinc/35/71/82/186357182.db2.gz RUYDDVIZIXGXKN-UHFFFAOYSA-N 0 3 279.340 2.185 20 5 CEBDHN CCN1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070495999 363090839 /nfs/dbraw/zinc/09/08/39/363090839.db2.gz QSFZZNCYXYTEKN-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000123710129 187105585 /nfs/dbraw/zinc/10/55/85/187105585.db2.gz BTRKYORGXCUWRQ-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN CCN(C)C(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292114831 198169076 /nfs/dbraw/zinc/16/90/76/198169076.db2.gz JLNUJRJNYZWHSW-UHFFFAOYSA-N 0 3 293.367 2.288 20 5 CEBDHN C[C@@H](NCCC1OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000271668419 191267818 /nfs/dbraw/zinc/26/78/18/191267818.db2.gz MUMIHBOLBNNXLO-LLVKDONJSA-N 0 3 280.324 2.399 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153781572 188104033 /nfs/dbraw/zinc/10/40/33/188104033.db2.gz VNSOMJCIDSEDTB-SNVBAGLBSA-N 0 3 298.774 2.421 20 5 CEBDHN CCCCN(CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154207043 188129517 /nfs/dbraw/zinc/12/95/17/188129517.db2.gz KJXSBAMVMYBGDJ-HNNXBMFYSA-N 0 3 296.367 2.377 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000155149245 188186868 /nfs/dbraw/zinc/18/68/68/188186868.db2.gz LRRHTBLXLVWZOD-GXSJLCMTSA-N 0 3 268.288 2.249 20 5 CEBDHN CC[C@H]1CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292555971 198331323 /nfs/dbraw/zinc/33/13/23/198331323.db2.gz YXOOEWDZWWEEGF-NSHDSACASA-N 0 3 277.324 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC2(CO)Cc3ccccc3C2)cc1 ZINC000074326354 363325898 /nfs/dbraw/zinc/32/58/98/363325898.db2.gz JDVUTZGZXFQJDF-UHFFFAOYSA-N 0 3 298.342 2.214 20 5 CEBDHN C[C@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163660 540204037 /nfs/dbraw/zinc/20/40/37/540204037.db2.gz HKVXZAPTDQVDKP-GWCFXTLKSA-N 0 3 291.351 2.362 20 5 CEBDHN COC[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000452045410 283169955 /nfs/dbraw/zinc/16/99/55/283169955.db2.gz XDZFKODIDMCQTJ-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216638 299245384 /nfs/dbraw/zinc/24/53/84/299245384.db2.gz SAVBJLDBPQKTDU-WCQYABFASA-N 0 3 296.367 2.490 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000134418396 366318831 /nfs/dbraw/zinc/31/88/31/366318831.db2.gz LPJUOUFPMGCNSU-ZDUSSCGKSA-N 0 3 266.341 2.434 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876113 290581187 /nfs/dbraw/zinc/58/11/87/290581187.db2.gz RLIGKYTWUWTHQN-LERXQTSPSA-N 0 3 291.351 2.160 20 5 CEBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000135203975 366409104 /nfs/dbraw/zinc/40/91/04/366409104.db2.gz ZEUKLMHNXDNVEU-SCZZXKLOSA-N 0 3 256.327 2.171 20 5 CEBDHN C[C@@H](NCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000135461592 366441894 /nfs/dbraw/zinc/44/18/94/366441894.db2.gz PZHDJRCPZVSOHL-SNVBAGLBSA-N 0 3 250.298 2.160 20 5 CEBDHN C[C@@H](NC(=O)[C@@]1(C)CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000136164625 366500343 /nfs/dbraw/zinc/50/03/43/366500343.db2.gz AWTPEDVYAMLEAQ-IAQYHMDHSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@@]1(O)C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000418118144 237293301 /nfs/dbraw/zinc/29/33/01/237293301.db2.gz SLBCNEAARNZZJE-ZQMOLZAKSA-N 0 3 262.309 2.111 20 5 CEBDHN Cc1ccc(CNCC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000080535227 363667679 /nfs/dbraw/zinc/66/76/79/363667679.db2.gz SWDYDOSOUAFQBO-UHFFFAOYSA-N 0 3 266.341 2.401 20 5 CEBDHN Cc1nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525561 366651481 /nfs/dbraw/zinc/65/14/81/366651481.db2.gz ZPJZHQOTVKKRER-MWLCHTKSSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(O)C1 ZINC000177973931 189082339 /nfs/dbraw/zinc/08/23/39/189082339.db2.gz XANBIPYFZAPLLP-ZWNOBZJWSA-N 0 3 250.298 2.113 20 5 CEBDHN CC[C@H](NC[C@@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380042 189112024 /nfs/dbraw/zinc/11/20/24/189112024.db2.gz FMEIXHXGTWGATP-GJZGRUSLSA-N 0 3 296.367 2.423 20 5 CEBDHN CCCCN(CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182147068 189315430 /nfs/dbraw/zinc/31/54/30/189315430.db2.gz GOJCUNRPDFLAFY-OAHLLOKOSA-N 0 3 296.367 2.113 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000089935722 364018643 /nfs/dbraw/zinc/01/86/43/364018643.db2.gz KHUXEPQKLIHACL-GFCCVEGCSA-N 0 3 282.365 2.411 20 5 CEBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093813636 364228789 /nfs/dbraw/zinc/22/87/89/364228789.db2.gz KSAZJRCFTFLVEI-HNNXBMFYSA-N 0 3 292.335 2.288 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120542142 365440574 /nfs/dbraw/zinc/44/05/74/365440574.db2.gz ALFOTILTWYIXPF-RISCZKNCSA-N 0 3 291.351 2.007 20 5 CEBDHN COCCN(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159364297 366906061 /nfs/dbraw/zinc/90/60/61/366906061.db2.gz YGCFDMOYGSZWGF-ZDUSSCGKSA-N 0 3 295.383 2.132 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343454093 367823518 /nfs/dbraw/zinc/82/35/18/367823518.db2.gz PCZRUEAJQVFGSO-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172856670 367830420 /nfs/dbraw/zinc/83/04/20/367830420.db2.gz UVWUQKRKSUHTLB-WDEREUQCSA-N 0 3 291.351 2.314 20 5 CEBDHN CCSCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473020 367913842 /nfs/dbraw/zinc/91/38/42/367913842.db2.gz SGVOSUQNUQGFPZ-NSHDSACASA-N 0 3 296.396 2.229 20 5 CEBDHN CC1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000186917650 369068398 /nfs/dbraw/zinc/06/83/98/369068398.db2.gz ALIMZGNDSFFEIY-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000348673508 369118273 /nfs/dbraw/zinc/11/82/73/369118273.db2.gz NAEXNSUVAOKQFV-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CC[C@H](O)C1 ZINC000188800626 369410532 /nfs/dbraw/zinc/41/05/32/369410532.db2.gz GHDHURACSQNGII-SKDRFNHKSA-N 0 3 284.743 2.499 20 5 CEBDHN C/C=C\C[C@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000349847337 369421512 /nfs/dbraw/zinc/42/15/12/369421512.db2.gz FCVPMIARAWIOHI-DHCBQETCSA-N 0 3 264.325 2.320 20 5 CEBDHN O=[N+]([O-])c1cc2ccccc2nc1NCCN1CCCC1 ZINC000352349282 369684549 /nfs/dbraw/zinc/68/45/49/369684549.db2.gz CFGJBCUOCXEJHI-UHFFFAOYSA-N 0 3 286.335 2.073 20 5 CEBDHN COc1cc(CN(C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352540445 369778616 /nfs/dbraw/zinc/77/86/16/369778616.db2.gz LEZQZMWTWIMQIV-GFCCVEGCSA-N 0 3 280.324 2.072 20 5 CEBDHN COc1cc(CN2CC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352541353 369778788 /nfs/dbraw/zinc/77/87/88/369778788.db2.gz WXJWMUHPAVYGIL-OAHLLOKOSA-N 0 3 292.335 2.216 20 5 CEBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000193178162 369901486 /nfs/dbraw/zinc/90/14/86/369901486.db2.gz VABNEOXTVLHAJQ-UHFFFAOYSA-N 0 3 291.351 2.432 20 5 CEBDHN CCOc1cc(CN[C@@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352889873 369934877 /nfs/dbraw/zinc/93/48/77/369934877.db2.gz BGTSUALDMUGPGV-HNNXBMFYSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1c(CN(CCO)C2CCC2)cccc1[N+](=O)[O-] ZINC000221196338 370237717 /nfs/dbraw/zinc/23/77/17/370237717.db2.gz SNRJUGCVOVPWLX-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)N(C)C ZINC000227888085 370387644 /nfs/dbraw/zinc/38/76/44/370387644.db2.gz POBIOJOTUJQRDJ-SSDOTTSWSA-N 0 3 259.256 2.235 20 5 CEBDHN Cc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000252561988 371456350 /nfs/dbraw/zinc/45/63/50/371456350.db2.gz WPQGPKLFMIOUPP-UONOGXRCSA-N 0 3 291.351 2.178 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000360996282 371589308 /nfs/dbraw/zinc/58/93/08/371589308.db2.gz RNOXFGBZOKLUPI-PWSUYJOCSA-N 0 3 295.387 2.039 20 5 CEBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000344038784 217024078 /nfs/dbraw/zinc/02/40/78/217024078.db2.gz GDVMFGLJWNYCTP-LLVKDONJSA-N 0 3 266.345 2.159 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903740 372280771 /nfs/dbraw/zinc/28/07/71/372280771.db2.gz GJRHDIYSIKYAPQ-SMDDNHRTSA-N 0 3 296.392 2.422 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCN2CCC2)c(Cl)c1 ZINC000344329493 217152569 /nfs/dbraw/zinc/15/25/69/217152569.db2.gz SISRPFIXVUTZNK-UHFFFAOYSA-N 0 3 269.732 2.044 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000362732876 372507134 /nfs/dbraw/zinc/50/71/34/372507134.db2.gz IDNHIMUKGSOSMH-NWDGAFQWSA-N 0 3 291.351 2.116 20 5 CEBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269648054 372517214 /nfs/dbraw/zinc/51/72/14/372517214.db2.gz FKOVFXXODWGJRS-ZDUSSCGKSA-N 0 3 250.298 2.113 20 5 CEBDHN C[C@@H](O)C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000269784449 372564051 /nfs/dbraw/zinc/56/40/51/372564051.db2.gz HNWKQUIRXDAJOA-CHWSQXEVSA-N 0 3 294.351 2.209 20 5 CEBDHN CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270848105 372981540 /nfs/dbraw/zinc/98/15/40/372981540.db2.gz GEHXVNCOBOACOO-WDMOLILDSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCCCCC[C@@H]32)n1 ZINC000369454107 373417950 /nfs/dbraw/zinc/41/79/50/373417950.db2.gz YAPASJIMRWHUTR-OLZOCXBDSA-N 0 3 278.356 2.446 20 5 CEBDHN COc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272257546 373390677 /nfs/dbraw/zinc/39/06/77/373390677.db2.gz ZNPGBOXINSXBHK-RISCZKNCSA-N 0 3 291.351 2.134 20 5 CEBDHN Cc1nc(N[C@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272897292 373700443 /nfs/dbraw/zinc/70/04/43/373700443.db2.gz IILRTYCWSFTCNZ-SNVBAGLBSA-N 0 3 276.340 2.361 20 5 CEBDHN CCO[C@@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H]1OC ZINC000274928022 374099137 /nfs/dbraw/zinc/09/91/37/374099137.db2.gz NNPWIYUGRODOKA-NWANDNLSSA-N 0 3 294.351 2.185 20 5 CEBDHN CC(C)=CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373239926 374303625 /nfs/dbraw/zinc/30/36/25/374303625.db2.gz BQDWKZXZDWDENB-UHFFFAOYSA-N 0 3 264.329 2.394 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCN2CC=CCC2)cs1 ZINC000279880797 375018255 /nfs/dbraw/zinc/01/82/55/375018255.db2.gz UOWRHHUAXQRDRM-UHFFFAOYSA-N 0 3 267.354 2.008 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CC2CCC2)cc1 ZINC000279948054 375042381 /nfs/dbraw/zinc/04/23/81/375042381.db2.gz ZFRXRLQGEZVEKW-ZDUSSCGKSA-N 0 3 264.325 2.236 20 5 CEBDHN CO[C@H]([C@H](C)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253975 375286590 /nfs/dbraw/zinc/28/65/90/375286590.db2.gz YNWPREJIFYHTKF-IINYFYTJSA-N 0 3 264.325 2.498 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1([S@@](C)=O)CCC1 ZINC000280719139 375295071 /nfs/dbraw/zinc/29/50/71/375295071.db2.gz UTXUXXHFXUINML-HXUWFJFHSA-N 0 3 296.392 2.294 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCOC1=O ZINC000282417599 375480365 /nfs/dbraw/zinc/48/03/65/375480365.db2.gz JBYIMSJRDPCUJC-CYBMUJFWSA-N 0 3 292.335 2.022 20 5 CEBDHN Cc1c([C@@H](C)NCC2([S@@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509212 375501726 /nfs/dbraw/zinc/50/17/26/375501726.db2.gz YSMOJAYVOKDXGM-BIBXISHDSA-N 0 3 296.392 2.465 20 5 CEBDHN CC(C)C[C@@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096142 375808849 /nfs/dbraw/zinc/80/88/49/375808849.db2.gz MQAKBLVHYLHMDN-JQWIXIFHSA-N 0 3 281.356 2.235 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CCCC1 ZINC000289635682 376427285 /nfs/dbraw/zinc/42/72/85/376427285.db2.gz UOHSRGVLURXEEQ-CQSZACIVSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2cn[nH]c2)c(Cl)c1 ZINC000289733358 376469540 /nfs/dbraw/zinc/46/95/40/376469540.db2.gz GJCBUBOMYMPIAA-UHFFFAOYSA-N 0 3 280.715 2.304 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](N2CCCC2)C1 ZINC000557572294 376567408 /nfs/dbraw/zinc/56/74/08/376567408.db2.gz OVTBWBZBUMCEBJ-NSHDSACASA-N 0 3 279.315 2.408 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@H](C)C1 ZINC000331135119 377296893 /nfs/dbraw/zinc/29/68/93/377296893.db2.gz IAHQLYFMVBUTQE-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN CC(C)[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000292983262 377381163 /nfs/dbraw/zinc/38/11/63/377381163.db2.gz RGAQACLORSVNTB-AWEZNQCLSA-N 0 3 266.341 2.086 20 5 CEBDHN C[C@H]1CCC[C@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000293167578 377454980 /nfs/dbraw/zinc/45/49/80/377454980.db2.gz VYIOWEFAPDXSFY-FZMZJTMJSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000332200513 377539516 /nfs/dbraw/zinc/53/95/16/377539516.db2.gz DESNSXYSQRITRX-GUTXKFCHSA-N 0 3 276.336 2.188 20 5 CEBDHN CC1(C)COC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000313087715 249380599 /nfs/dbraw/zinc/38/05/99/249380599.db2.gz QZVRGBBYLDLMMN-GFCCVEGCSA-N 0 3 250.298 2.109 20 5 CEBDHN CC[C@@H](O)[C@H](CC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313192832 249389775 /nfs/dbraw/zinc/38/97/75/249389775.db2.gz OWFNAMVECJSSBW-WCQYABFASA-N 0 3 282.340 2.243 20 5 CEBDHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898820 377814729 /nfs/dbraw/zinc/81/47/29/377814729.db2.gz WIRMKSHULAULJT-MNOVXSKESA-N 0 3 289.339 2.113 20 5 CEBDHN CC[C@@H](NC(=O)[C@@H](C)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000295236741 378065691 /nfs/dbraw/zinc/06/56/91/378065691.db2.gz SITAGTZHWJUCDS-QMTHXVAHSA-N 0 3 291.351 2.303 20 5 CEBDHN C[C@@H](NC1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000295861357 378332913 /nfs/dbraw/zinc/33/29/13/378332913.db2.gz WXXHHXFXHKILCY-MRVPVSSYSA-N 0 3 297.742 2.005 20 5 CEBDHN COC(=O)C1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295887798 378343723 /nfs/dbraw/zinc/34/37/23/378343723.db2.gz BGHGUMBJBDIKQE-JTQLQIEISA-N 0 3 278.308 2.199 20 5 CEBDHN CS[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465516 378541836 /nfs/dbraw/zinc/54/18/36/378541836.db2.gz XNCYCHAVUCCUOC-QWHCGFSZSA-N 0 3 282.365 2.066 20 5 CEBDHN Cc1nc(NC[C@@H](C)N2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541884 378568456 /nfs/dbraw/zinc/56/84/56/378568456.db2.gz NYISJZJAXLRNER-GHMZBOCLSA-N 0 3 293.371 2.226 20 5 CEBDHN CCc1nn(C)c(NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450953123 378660080 /nfs/dbraw/zinc/66/00/80/378660080.db2.gz XBIUTYBZKUZEHU-UHFFFAOYSA-N 0 3 295.387 2.177 20 5 CEBDHN COCCCN(CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000298772095 378828114 /nfs/dbraw/zinc/82/81/14/378828114.db2.gz GFDZAQOIIMCBHX-UHFFFAOYSA-N 0 3 296.367 2.122 20 5 CEBDHN Cc1[nH]cnc1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278511961 194020668 /nfs/dbraw/zinc/02/06/68/194020668.db2.gz APRVDVXNPNGSRK-SECBINFHSA-N 0 3 288.307 2.046 20 5 CEBDHN CCOc1cc(CN[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278552518 194039820 /nfs/dbraw/zinc/03/98/20/194039820.db2.gz AYWMKGXINQMVOS-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000278693950 194106827 /nfs/dbraw/zinc/10/68/27/194106827.db2.gz JJIVEEXJDOFOMC-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN Cc1cccc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000300421593 379171202 /nfs/dbraw/zinc/17/12/02/379171202.db2.gz OVPUFXASCGFJRI-QWHCGFSZSA-N 0 3 291.351 2.178 20 5 CEBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347536210 218266111 /nfs/dbraw/zinc/26/61/11/218266111.db2.gz QEOXPJACBYKWPL-SNVBAGLBSA-N 0 3 266.345 2.387 20 5 CEBDHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457071127 379652439 /nfs/dbraw/zinc/65/24/39/379652439.db2.gz HIAXRESTSPSOMT-UHFFFAOYSA-N 0 3 291.351 2.199 20 5 CEBDHN Cc1c([C@H](C)NCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000305141304 379656977 /nfs/dbraw/zinc/65/69/77/379656977.db2.gz QDTWIHQFQUMEIQ-NSHDSACASA-N 0 3 264.325 2.469 20 5 CEBDHN CCCCOCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488789786 380135830 /nfs/dbraw/zinc/13/58/30/380135830.db2.gz VUBXXDYOURBEDY-UHFFFAOYSA-N 0 3 296.371 2.245 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000268220551 190387683 /nfs/dbraw/zinc/38/76/83/190387683.db2.gz WQOAXVFSMBPUBI-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000413157185 394494305 /nfs/dbraw/zinc/49/43/05/394494305.db2.gz GWOISAKLKJOJHZ-DTWKUNHWSA-N 0 3 268.292 2.024 20 5 CEBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413174666 394497505 /nfs/dbraw/zinc/49/75/05/394497505.db2.gz DWJSUNQIDBMKQO-UHFFFAOYSA-N 0 3 292.261 2.006 20 5 CEBDHN CN(C)CC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000308612741 394529059 /nfs/dbraw/zinc/52/90/59/394529059.db2.gz GWDGYHRBWXZNLC-UHFFFAOYSA-N 0 3 251.330 2.025 20 5 CEBDHN CC(C)[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394132 394661073 /nfs/dbraw/zinc/66/10/73/394661073.db2.gz LPNQNTJOSJTDMV-ZWNOBZJWSA-N 0 3 252.314 2.262 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272184652 394767883 /nfs/dbraw/zinc/76/78/83/394767883.db2.gz KTAVXEVRHVXEIX-FZMZJTMJSA-N 0 3 261.325 2.125 20 5 CEBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]21 ZINC000360210202 394793343 /nfs/dbraw/zinc/79/33/43/394793343.db2.gz VNGCOCDJYLPVFI-GRYCIOLGSA-N 0 3 278.356 2.339 20 5 CEBDHN Cc1cccc(NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000133519416 394953698 /nfs/dbraw/zinc/95/36/98/394953698.db2.gz HYAXZAYYECGLPK-UHFFFAOYSA-N 0 3 286.335 2.500 20 5 CEBDHN CN(CCN1CCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153701904 395015393 /nfs/dbraw/zinc/01/53/93/395015393.db2.gz FHQYXMQVMUTSDF-UHFFFAOYSA-N 0 3 284.747 2.175 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000425285471 395056704 /nfs/dbraw/zinc/05/67/04/395056704.db2.gz OLNFTSXHTUCYHB-SWLSCSKDSA-N 0 3 275.352 2.434 20 5 CEBDHN CN1CC[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375023676 395089238 /nfs/dbraw/zinc/08/92/38/395089238.db2.gz VHAZRUQMBBKQGH-NHYWBVRUSA-N 0 3 293.342 2.260 20 5 CEBDHN CN1CC[C@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292300856 395191854 /nfs/dbraw/zinc/19/18/54/395191854.db2.gz NQPCMNHDAYLGQM-AWEZNQCLSA-N 0 3 279.315 2.266 20 5 CEBDHN C[C@H](CC(N)=O)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433304580 395220245 /nfs/dbraw/zinc/22/02/45/395220245.db2.gz NGLMYAXQGKHCPE-RNCFNFMXSA-N 0 3 291.351 2.171 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000294915993 395281834 /nfs/dbraw/zinc/28/18/34/395281834.db2.gz BERLPXKWVSHYRI-GIPNMCIBSA-N 0 3 250.298 2.250 20 5 CEBDHN CC[C@H](C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296173408 395310090 /nfs/dbraw/zinc/31/00/90/395310090.db2.gz ZAEYQBDWWBWULZ-LBPRGKRZSA-N 0 3 278.356 2.158 20 5 CEBDHN COc1cc(CN2C[C@@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420931312 395437562 /nfs/dbraw/zinc/43/75/62/395437562.db2.gz DBTVGZNOUZEYTA-AAEUAGOBSA-N 0 3 294.351 2.054 20 5 CEBDHN CC(C)N1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000568366946 395555950 /nfs/dbraw/zinc/55/59/50/395555950.db2.gz LBNCUBABNCXWGW-UHFFFAOYSA-N 0 3 296.346 2.438 20 5 CEBDHN C[C@H](CC[S@](C)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291910 395627519 /nfs/dbraw/zinc/62/75/19/395627519.db2.gz JMRFSGICFNIYDS-MZJFNTNISA-N 0 3 296.392 2.329 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCN1C ZINC000313347642 154208712 /nfs/dbraw/zinc/20/87/12/154208712.db2.gz NBSBMPXOHOINLW-CYBMUJFWSA-N 0 3 281.331 2.260 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332238393 154218821 /nfs/dbraw/zinc/21/88/21/154218821.db2.gz OMGBTPVEUSRKLH-IACUBPJLSA-N 0 3 276.336 2.188 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2CCCCC[C@@H]21 ZINC000367123359 156136885 /nfs/dbraw/zinc/13/68/85/156136885.db2.gz QGIYYXVOBCLXOF-OCCSQVGLSA-N 0 3 291.351 2.021 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC2(CCO2)CC1 ZINC000367245063 156155270 /nfs/dbraw/zinc/15/52/70/156155270.db2.gz VAMPHTDWSSKVPP-UHFFFAOYSA-N 0 3 292.335 2.358 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168540251 162367079 /nfs/dbraw/zinc/36/70/79/162367079.db2.gz FQIDZTPKKKVUQU-ZHYXMNDGSA-N 0 3 284.381 2.321 20 5 CEBDHN CNC(=O)CCN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179410650 165278284 /nfs/dbraw/zinc/27/82/84/165278284.db2.gz WWBPJYPOPPEIIF-UHFFFAOYSA-N 0 3 293.367 2.286 20 5 CEBDHN CC[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196067 171061334 /nfs/dbraw/zinc/06/13/34/171061334.db2.gz OWSRVUJAROWMOW-JQWIXIFHSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000020208247 171072092 /nfs/dbraw/zinc/07/20/92/171072092.db2.gz MJYFAOYSQQNFOA-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1ccc(CN[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000035275288 172095900 /nfs/dbraw/zinc/09/59/00/172095900.db2.gz BTBOTILHIVQJIA-LBPRGKRZSA-N 0 3 274.324 2.278 20 5 CEBDHN CCC[C@H](N[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602245 172291115 /nfs/dbraw/zinc/29/11/15/172291115.db2.gz KPGHISIHKSJWQS-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](NC[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038088235 174101300 /nfs/dbraw/zinc/10/13/00/174101300.db2.gz FYPCTTMXPZPWAJ-QWRGUYRKSA-N 0 3 251.330 2.196 20 5 CEBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000044538040 175199793 /nfs/dbraw/zinc/19/97/93/175199793.db2.gz QAEHGWZANGEVII-JTQLQIEISA-N 0 3 294.311 2.257 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421708315 270648263 /nfs/dbraw/zinc/64/82/63/270648263.db2.gz ZULJRIIGPWATMQ-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@]1(C)CO ZINC000430241661 271366238 /nfs/dbraw/zinc/36/62/38/271366238.db2.gz GWGXWFWNMRRALQ-HUUCEWRRSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H](O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192867001 274265317 /nfs/dbraw/zinc/26/53/17/274265317.db2.gz SZENQXQVTKEJJC-YGRLFVJLSA-N 0 3 264.325 2.333 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375051817 277146764 /nfs/dbraw/zinc/14/67/64/277146764.db2.gz XEEASZBEYQSVFR-YGRLFVJLSA-N 0 3 279.315 2.264 20 5 CEBDHN CNC(=O)[C@@]1(C)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205553 277247146 /nfs/dbraw/zinc/24/71/46/277247146.db2.gz SDWWDMXCOSANPE-NHYWBVRUSA-N 0 3 291.351 2.114 20 5 CEBDHN COC(C)(C)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000310663725 277460086 /nfs/dbraw/zinc/46/00/86/277460086.db2.gz XVYGFEBIHVIMPJ-JTQLQIEISA-N 0 3 252.314 2.498 20 5 CEBDHN CS[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270418499 277530064 /nfs/dbraw/zinc/53/00/64/277530064.db2.gz ZJFCSSBOGCMXQK-STQMWFEESA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037782866 278184789 /nfs/dbraw/zinc/18/47/89/278184789.db2.gz YMMHDRFOCVMFRP-NEPJUHHUSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@@H](CCn1cccn1)NCc1ccccc1[N+](=O)[O-] ZINC000159001724 278237015 /nfs/dbraw/zinc/23/70/15/278237015.db2.gz RDBDBPZXBQQPBF-LBPRGKRZSA-N 0 3 274.324 2.360 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000285272830 278358959 /nfs/dbraw/zinc/35/89/59/278358959.db2.gz QWMLVXVGRXUNOO-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000294915972 278991879 /nfs/dbraw/zinc/99/18/79/278991879.db2.gz BERLPXKWVSHYRI-BREBYQMCSA-N 0 3 250.298 2.250 20 5 CEBDHN C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242770 279516271 /nfs/dbraw/zinc/51/62/71/279516271.db2.gz BRHSFPZLXXZJCQ-OUJBWJOFSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@H]1CC[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212294 279747167 /nfs/dbraw/zinc/74/71/67/279747167.db2.gz ZFQOLGAETSEYFL-QWHCGFSZSA-N 0 3 290.367 2.300 20 5 CEBDHN C/C=C/C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000185829915 280126971 /nfs/dbraw/zinc/12/69/71/280126971.db2.gz RZOSOWWOXLIAKX-JDGPPOGSSA-N 0 3 250.298 2.012 20 5 CEBDHN C[C@@H]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576143 281246393 /nfs/dbraw/zinc/24/63/93/281246393.db2.gz BMJKRQLZXGMAQD-MFKMUULPSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000433172697 281372493 /nfs/dbraw/zinc/37/24/93/281372493.db2.gz DFHYUMICDIBXRL-SKDRFNHKSA-N 0 3 268.288 2.249 20 5 CEBDHN CC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826317 289068662 /nfs/dbraw/zinc/06/86/62/289068662.db2.gz NDOXSRCMAXNMSL-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN COCCCN(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000152181665 289079889 /nfs/dbraw/zinc/07/98/89/289079889.db2.gz JXAOFKJKYBZQKP-UHFFFAOYSA-N 0 3 281.356 2.283 20 5 CEBDHN CN(C)CCSCCc1ccc([N+](=O)[O-])cc1 ZINC000157823866 289222482 /nfs/dbraw/zinc/22/24/82/289222482.db2.gz HIPURNNCLZECQW-UHFFFAOYSA-N 0 3 254.355 2.432 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccn(C)n1 ZINC000459800646 290245655 /nfs/dbraw/zinc/24/56/55/290245655.db2.gz WUUFDWJJYKTKEU-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CSC[C@@H](CCO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643480 297648154 /nfs/dbraw/zinc/64/81/54/297648154.db2.gz FYDQUSOHHHPVAR-MFKMUULPSA-N 0 3 296.392 2.286 20 5 CEBDHN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000533358613 298162472 /nfs/dbraw/zinc/16/24/72/298162472.db2.gz FWYOUQCAPZYJLS-UHFFFAOYSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[S@@](C)=O ZINC000563415591 313737535 /nfs/dbraw/zinc/73/75/35/313737535.db2.gz DJTCDSQDPDRVBX-REWMRKHYSA-N 0 3 296.392 2.329 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000573014975 314136840 /nfs/dbraw/zinc/13/68/40/314136840.db2.gz JJKNGJVMSWMCCR-GFCCVEGCSA-N 0 3 291.351 2.278 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(C)C)CC1 ZINC000183252774 321713106 /nfs/dbraw/zinc/71/31/06/321713106.db2.gz OZWVPRGMVRCABN-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(O)CCSC1 ZINC000580783373 322343990 /nfs/dbraw/zinc/34/39/90/322343990.db2.gz IIOOGLIHXZOAGA-JSGCOSHPSA-N 0 3 294.376 2.040 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183842397 524044749 /nfs/dbraw/zinc/04/47/49/524044749.db2.gz HZVJOKNWEBPUFZ-LLVKDONJSA-N 0 3 293.367 2.326 20 5 CEBDHN CCOc1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000111046307 528325746 /nfs/dbraw/zinc/32/57/46/528325746.db2.gz JJSXTCUYMJEDBA-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN Cc1nn(CN2C[C@H](C)[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751923803 575301269 /nfs/dbraw/zinc/30/12/69/575301269.db2.gz BLRQXCVRNSWQDK-UWVGGRQHSA-N 0 3 289.339 2.193 20 5 CEBDHN CO[C@@H]1CC[C@@H]1N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124402 624245364 /nfs/dbraw/zinc/24/53/64/624245364.db2.gz HSQQJYYGYHXMKY-WCQYABFASA-N 0 3 280.324 2.083 20 5 CEBDHN Cc1cccnc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158643452 624583057 /nfs/dbraw/zinc/58/30/57/624583057.db2.gz VFXDHNDFEYIEPA-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893939158 629054864 /nfs/dbraw/zinc/05/48/64/629054864.db2.gz IACOTHTVLKHLHX-NOZJJQNGSA-N 0 3 281.743 2.389 20 5 CEBDHN Cc1cc(N2CC[C@H]3CN(C)C[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940338 629055346 /nfs/dbraw/zinc/05/53/46/629055346.db2.gz MWNJFIXSTWEBOB-IINYFYTJSA-N 0 3 279.315 2.183 20 5 CEBDHN CN1C[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941997 629056614 /nfs/dbraw/zinc/05/66/14/629056614.db2.gz YGFJBWKRYKSYLH-SWLSCSKDSA-N 0 3 298.346 2.283 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000894413697 629445397 /nfs/dbraw/zinc/44/53/97/629445397.db2.gz NOTDHYHSLFQHKT-WCBMZHEXSA-N 0 3 298.364 2.150 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000894413697 629445399 /nfs/dbraw/zinc/44/53/99/629445399.db2.gz NOTDHYHSLFQHKT-WCBMZHEXSA-N 0 3 298.364 2.150 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@@H]2C)c1C ZINC000928430072 629566331 /nfs/dbraw/zinc/56/63/31/629566331.db2.gz ZOYJOQLHQQSUFC-NEPJUHHUSA-N 0 3 291.351 2.034 20 5 CEBDHN CC(C)C1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000795545885 629602824 /nfs/dbraw/zinc/60/28/24/629602824.db2.gz HPQDMEUZEVXRIZ-CQSZACIVSA-N 0 3 264.325 2.216 20 5 CEBDHN CC[C@@H]1CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647195 629642076 /nfs/dbraw/zinc/64/20/76/629642076.db2.gz BRFHKNIHRVAPSV-YPMHNXCESA-N 0 3 250.298 2.113 20 5 CEBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000896509751 630578242 /nfs/dbraw/zinc/57/82/42/630578242.db2.gz JIKFRUSCTLXJDO-AQNFWKISSA-N 0 3 294.351 2.438 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC12CC(O)C2 ZINC000897840597 631938831 /nfs/dbraw/zinc/93/88/31/631938831.db2.gz FPYCVXPNEYLJBS-WPBUFGDCSA-N 0 3 276.336 2.215 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCO[C@@H]1CCOC1 ZINC000927084451 632452895 /nfs/dbraw/zinc/45/28/95/632452895.db2.gz MJVXYGVVWRZITC-TZMCWYRMSA-N 0 3 294.351 2.359 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1COC[C@H]1C1CC1 ZINC000898388613 632477789 /nfs/dbraw/zinc/47/77/89/632477789.db2.gz UWLKDXVQUPWQTI-STQMWFEESA-N 0 3 262.309 2.109 20 5 CEBDHN CC[C@@H]1CCCC[C@H]1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813099958 632620920 /nfs/dbraw/zinc/62/09/20/632620920.db2.gz IIDVEXHMOYQCIR-QJPTWQEYSA-N 0 3 273.329 2.180 20 5 CEBDHN COc1ccc([C@@H](C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101934 632621525 /nfs/dbraw/zinc/62/15/25/632621525.db2.gz LNQTUIRWFYQVMT-WDEREUQCSA-N 0 3 281.308 2.397 20 5 CEBDHN CSc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103569 632621558 /nfs/dbraw/zinc/62/15/58/632621558.db2.gz QPEZOHXVDUBVGH-ZCFIWIBFSA-N 0 3 261.324 2.292 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000813102687 632621722 /nfs/dbraw/zinc/62/17/22/632621722.db2.gz IUCIHVHKQMQFTB-GGZOMVNGSA-N 0 3 267.256 2.138 20 5 CEBDHN COc1ccc(Cl)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101890 632622169 /nfs/dbraw/zinc/62/21/69/632622169.db2.gz KUDRMRQMCARNBT-QMMMGPOBSA-N 0 3 287.699 2.100 20 5 CEBDHN CC(COC(=O)C[C@H]1CCOc2ccccc21)[N+](=O)[O-] ZINC000813107220 632624519 /nfs/dbraw/zinc/62/45/19/632624519.db2.gz MXHLGESUCAPWAF-GHMZBOCLSA-N 0 3 279.292 2.151 20 5 CEBDHN CC(COC(=O)C1(c2cccc(F)c2)CC1)[N+](=O)[O-] ZINC000813107786 632624845 /nfs/dbraw/zinc/62/48/45/632624845.db2.gz WDUBIMZJLSWKQH-VIFPVBQESA-N 0 3 267.256 2.066 20 5 CEBDHN Cc1cn(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106702 632624967 /nfs/dbraw/zinc/62/49/67/632624967.db2.gz GOMOSAHVXICPEN-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)c1sccc1Br)[N+](=O)[O-] ZINC000813108473 632625501 /nfs/dbraw/zinc/62/55/01/632625501.db2.gz YWCJKVKGYXKEPH-RXMQYKEDSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(COC(=O)Cc1csc(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813109297 632625897 /nfs/dbraw/zinc/62/58/97/632625897.db2.gz RDLCDCOROZSAJF-MRVPVSSYSA-N 0 3 286.353 2.192 20 5 CEBDHN Cc1cc(C)cc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109939 632626607 /nfs/dbraw/zinc/62/66/07/632626607.db2.gz XQPOHOUIVWPALW-GFCCVEGCSA-N 0 3 265.309 2.444 20 5 CEBDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112093 632627605 /nfs/dbraw/zinc/62/76/05/632627605.db2.gz ZNCBHJOPCUKXIG-BBBLOLIVSA-N 0 3 269.322 2.368 20 5 CEBDHN Cc1oc(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113275 632628316 /nfs/dbraw/zinc/62/83/16/632628316.db2.gz OZIQRSROHDUDSC-VIFPVBQESA-N 0 3 290.275 2.472 20 5 CEBDHN CC(C)c1scnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115212 632629009 /nfs/dbraw/zinc/62/90/09/632629009.db2.gz MZDLEYPROJKDOY-ZETCQYMHSA-N 0 3 258.299 2.089 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813115049 632629284 /nfs/dbraw/zinc/62/92/84/632629284.db2.gz ZRXKIOYRRYJKMB-UWVGGRQHSA-N 0 3 269.272 2.213 20 5 CEBDHN CC(COC(=O)CCc1cnc2ccccc2c1)[N+](=O)[O-] ZINC000813115127 632629411 /nfs/dbraw/zinc/62/94/11/632629411.db2.gz KWUQPXACEIWNCN-LLVKDONJSA-N 0 3 288.303 2.376 20 5 CEBDHN Cc1cc(Cl)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115482 632629556 /nfs/dbraw/zinc/62/95/56/632629556.db2.gz SXQMWMQDZDDDOP-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813115048 632629644 /nfs/dbraw/zinc/62/96/44/632629644.db2.gz ZRXKIOYRRYJKMB-NXEZZACHSA-N 0 3 269.272 2.213 20 5 CEBDHN COCC1(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815607830 633037739 /nfs/dbraw/zinc/03/77/39/633037739.db2.gz JPGNISOUHPKNSE-VIFPVBQESA-N 0 3 265.313 2.007 20 5 CEBDHN CC(COC(=O)C[C@H]1CSc2ccccc2O1)[N+](=O)[O-] ZINC000835455917 638263072 /nfs/dbraw/zinc/26/30/72/638263072.db2.gz QESJTXIOYKRCFB-ZJUUUORDSA-N 0 3 297.332 2.138 20 5 CEBDHN Cc1nc2ccccc2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454618 638263088 /nfs/dbraw/zinc/26/30/88/638263088.db2.gz KWSVQYATBUAMHI-VIFPVBQESA-N 0 3 274.276 2.365 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)C)n1 ZINC000835457710 638264015 /nfs/dbraw/zinc/26/40/15/638264015.db2.gz ZOTMBTIUDNRYSQ-SNVBAGLBSA-N 0 3 266.297 2.335 20 5 CEBDHN Cc1ccn(-c2ccccc2C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000835456206 638264026 /nfs/dbraw/zinc/26/40/26/638264026.db2.gz TVSYNHWDMBNLJU-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN C[C@@H](NC[C@@H]1COC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000230208878 639746596 /nfs/dbraw/zinc/74/65/96/639746596.db2.gz AVJSVSMVIXRKBY-ZWNOBZJWSA-N 0 3 280.324 2.397 20 5 CEBDHN Cn1nccc1CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230777286 639786147 /nfs/dbraw/zinc/78/61/47/639786147.db2.gz DRGHKFOWZJNKAE-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CO[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874454 641117710 /nfs/dbraw/zinc/11/77/10/641117710.db2.gz IRRUCLJZQAKRFE-KBVBSXBZSA-N 0 3 285.271 2.110 20 5 CEBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1OC(C)C ZINC000851036402 642890565 /nfs/dbraw/zinc/89/05/65/642890565.db2.gz IZBHPPDSYTWHOA-SNVBAGLBSA-N 0 3 297.307 2.304 20 5 CEBDHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242757 643720520 /nfs/dbraw/zinc/72/05/20/643720520.db2.gz WSYMAMOZGTZHCH-GHMZBOCLSA-N 0 3 297.380 2.240 20 5 CEBDHN CC1(C)OCC(NC/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000758009796 644869983 /nfs/dbraw/zinc/86/99/83/644869983.db2.gz AATCXHVDKIIVNZ-ALCCZGGFSA-N 0 3 292.335 2.349 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCn1ccnn1 ZINC000126889323 650994463 /nfs/dbraw/zinc/99/44/63/650994463.db2.gz GONGFIGXMAQWPN-UHFFFAOYSA-N 0 3 295.730 2.020 20 5 CEBDHN Cc1ccc2occ(CC(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000860775977 645901737 /nfs/dbraw/zinc/90/17/37/645901737.db2.gz AIQWUXILZSUJJX-SNVBAGLBSA-N 0 3 277.276 2.492 20 5 CEBDHN COc1cc(C[NH2+][C@H]2C[C@H](SC)C2)c([N+](=O)[O-])cc1[O-] ZINC000865734051 647444795 /nfs/dbraw/zinc/44/47/95/647444795.db2.gz GLPPSVGBPAZHRZ-MGCOHNPYSA-N 0 3 298.364 2.293 20 5 CEBDHN C[NH+](C)C1(C)CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000866147663 647629474 /nfs/dbraw/zinc/62/94/74/647629474.db2.gz UGYBWHIOKYXAAJ-UHFFFAOYSA-N 0 3 294.355 2.370 20 5 CEBDHN CC(COC(=O)/C=C\CCc1ccccc1)[N+](=O)[O-] ZINC000870378443 648790591 /nfs/dbraw/zinc/79/05/91/648790591.db2.gz WVWIIJBNRZVDGS-GYGFLDJKSA-N 0 3 263.293 2.384 20 5 CEBDHN C[C@H](CCO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040099 649250747 /nfs/dbraw/zinc/25/07/47/649250747.db2.gz JMIHNNBGHOSRQT-NXEZZACHSA-N 0 3 270.304 2.403 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCC(=O)NC(C)C ZINC000873010587 649530515 /nfs/dbraw/zinc/53/05/15/649530515.db2.gz MAFIAIHGVDPHRU-UHFFFAOYSA-N 0 3 293.367 2.216 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(F)CC2)cc1 ZINC000880242896 651407783 /nfs/dbraw/zinc/40/77/83/651407783.db2.gz PMKPXHZBDGROOU-UHFFFAOYSA-N 0 3 268.288 2.408 20 5 CEBDHN CCN1CC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000882960934 652292802 /nfs/dbraw/zinc/29/28/02/652292802.db2.gz ZTPOFYMBRYWCLG-LLVKDONJSA-N 0 3 287.323 2.044 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2ccoc2)cs1 ZINC000883269597 652419271 /nfs/dbraw/zinc/41/92/71/652419271.db2.gz PJQZDWZIORRVOU-LLVKDONJSA-N 0 3 296.348 2.190 20 5 CEBDHN C[C@@H]1COC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794299 807849031 /nfs/dbraw/zinc/84/90/31/807849031.db2.gz YMPGPCIHVYMPCT-KCJUWKMLSA-N 0 3 270.716 2.373 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC001168997048 811325650 /nfs/dbraw/zinc/32/56/50/811325650.db2.gz XDUPYMAMBFJQCB-SFYZADRCSA-N 0 3 275.761 2.332 20 5 CEBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999398 811327322 /nfs/dbraw/zinc/32/73/22/811327322.db2.gz SQRKWLVUWYOARG-GWCFXTLKSA-N 0 3 280.299 2.043 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[N+](=O)[O-] ZINC001122950711 815457827 /nfs/dbraw/zinc/45/78/27/815457827.db2.gz MVBUUDCSKWMQKU-PPKCKEKNSA-N 0 3 285.246 2.277 20 5 CEBDHN Cc1cc(NC(=O)N[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001123360585 815509046 /nfs/dbraw/zinc/50/90/46/815509046.db2.gz OQDFEOXLCFMXJH-NSHDSACASA-N 0 3 292.339 2.119 20 5 CEBDHN NCc1cncn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896667 815543866 /nfs/dbraw/zinc/54/38/66/815543866.db2.gz QTGXTHGRZOOWFS-ZDUSSCGKSA-N 0 3 286.335 2.370 20 5 CEBDHN COc1ccc(SCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113984 813123131 /nfs/dbraw/zinc/12/31/31/813123131.db2.gz KSTQEXURGIZQER-SNVBAGLBSA-N 0 3 299.348 2.386 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000714028016 814882996 /nfs/dbraw/zinc/88/29/96/814882996.db2.gz CTDDCIVNSBRSOK-IAQYHMDHSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCOC2 ZINC001173223970 815628170 /nfs/dbraw/zinc/62/81/70/815628170.db2.gz CMNKLUVODVATDP-GFCCVEGCSA-N 0 3 276.336 2.248 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601289588 346813518 /nfs/dbraw/zinc/81/35/18/346813518.db2.gz PIIULKWYNPQUSX-WZRBSPASSA-N 0 3 264.325 2.325 20 5 CEBDHN C[C@@H](Cc1cnccn1)NCc1ccccc1[N+](=O)[O-] ZINC000337703120 214227127 /nfs/dbraw/zinc/22/71/27/214227127.db2.gz HAJURDIXHOGNPK-NSHDSACASA-N 0 3 272.308 2.106 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCCOC(F)F ZINC000337790258 214264139 /nfs/dbraw/zinc/26/41/39/214264139.db2.gz AUJGMPXAVKFWDZ-UHFFFAOYSA-N 0 3 260.240 2.314 20 5 CEBDHN CC[C@@H](N[C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977021 361877518 /nfs/dbraw/zinc/87/75/18/361877518.db2.gz OZNVGSLOEDOTOY-KGLIPLIRSA-N 0 3 291.351 2.304 20 5 CEBDHN Cc1ccc(CN[C@@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125446374 187185187 /nfs/dbraw/zinc/18/51/87/187185187.db2.gz KQMSZWWTZBDTBT-JEOXALJRSA-N 0 3 284.381 2.150 20 5 CEBDHN Cc1ccc(CN[C@H](C)CC[S@](C)=O)cc1[N+](=O)[O-] ZINC000125446589 187185296 /nfs/dbraw/zinc/18/52/96/187185296.db2.gz KQMSZWWTZBDTBT-NSPYISDASA-N 0 3 284.381 2.150 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCOC2)c1 ZINC000037738571 361925443 /nfs/dbraw/zinc/92/54/43/361925443.db2.gz OXGJOLDYCGLBKW-SECBINFHSA-N 0 3 270.716 2.374 20 5 CEBDHN CCN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000037978337 361969690 /nfs/dbraw/zinc/96/96/90/361969690.db2.gz XBFVTDKVNVUUHK-UHFFFAOYSA-N 0 3 295.368 2.200 20 5 CEBDHN CCCN(CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000047496466 362209455 /nfs/dbraw/zinc/20/94/55/362209455.db2.gz HNLNFHIHMWZHSD-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C)CC1 ZINC000043149766 343461401 /nfs/dbraw/zinc/46/14/01/343461401.db2.gz KOARVTAWDSUMAH-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN CC(C)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000049968828 343540159 /nfs/dbraw/zinc/54/01/59/343540159.db2.gz SSOKJOYHMONSER-UHFFFAOYSA-N 0 3 277.368 2.368 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295049940 199318804 /nfs/dbraw/zinc/31/88/04/199318804.db2.gz NISXYGLPJXGGSK-GHMZBOCLSA-N 0 3 274.267 2.089 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057159891 343625956 /nfs/dbraw/zinc/62/59/56/343625956.db2.gz GTXAPSWCLXHEGV-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000066808974 343722147 /nfs/dbraw/zinc/72/21/47/343722147.db2.gz MMKXVPLSVVUSGH-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000602027169 346964333 /nfs/dbraw/zinc/96/43/33/346964333.db2.gz DYQSTPUNFSSSFO-ZFWWWQNUSA-N 0 3 294.351 2.044 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000068341436 343761762 /nfs/dbraw/zinc/76/17/62/343761762.db2.gz RSQZVXHKBRWFSL-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000069047555 343779108 /nfs/dbraw/zinc/77/91/08/343779108.db2.gz MQKUDVOQFFERHU-UHFFFAOYSA-N 0 3 295.339 2.134 20 5 CEBDHN O=C(NCCN1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000076250187 343886342 /nfs/dbraw/zinc/88/63/42/343886342.db2.gz WMWODKRBLWMJKJ-UHFFFAOYSA-N 0 3 291.351 2.201 20 5 CEBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000078553717 343956637 /nfs/dbraw/zinc/95/66/37/343956637.db2.gz AKRZBXQJHPCSGB-LLVKDONJSA-N 0 3 292.339 2.201 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@@H]1CCOC1 ZINC000337215808 213934894 /nfs/dbraw/zinc/93/48/94/213934894.db2.gz HBTUPMJWXIXHLS-CMPLNLGQSA-N 0 3 280.324 2.118 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CCCN(C)C2)c1 ZINC000088725859 344113653 /nfs/dbraw/zinc/11/36/53/344113653.db2.gz INCSFQFXBLRQDN-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089580627 344124485 /nfs/dbraw/zinc/12/44/85/344124485.db2.gz RFXKZXWDTDSSAK-LLVKDONJSA-N 0 3 290.323 2.058 20 5 CEBDHN CC[C@@H](NCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157376416 344445788 /nfs/dbraw/zinc/44/57/88/344445788.db2.gz XWCHYLPORWYMSI-CYBMUJFWSA-N 0 3 264.325 2.408 20 5 CEBDHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305704 344872383 /nfs/dbraw/zinc/87/23/83/344872383.db2.gz KDHWMTGIGNGTCF-GMTAPVOTSA-N 0 3 250.298 2.423 20 5 CEBDHN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000127282971 187293908 /nfs/dbraw/zinc/29/39/08/187293908.db2.gz LSBBKOYNUOHCTR-YPMHNXCESA-N 0 3 293.367 2.421 20 5 CEBDHN C[C@@H](O)[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000584586025 344959718 /nfs/dbraw/zinc/95/97/18/344959718.db2.gz IGBQPMPKPDCGDM-HTQZYQBOSA-N 0 3 292.257 2.473 20 5 CEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)N1 ZINC000053711870 362497295 /nfs/dbraw/zinc/49/72/95/362497295.db2.gz DVKPSUORNTUHSV-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071892 345037578 /nfs/dbraw/zinc/03/75/78/345037578.db2.gz NJIXMNMFUCIGPC-NEPJUHHUSA-N 0 3 276.340 2.053 20 5 CEBDHN CN1CC[C@@]2(CCN(c3ccsc3[N+](=O)[O-])C2)C1 ZINC000589879226 345103982 /nfs/dbraw/zinc/10/39/82/345103982.db2.gz OQRSEXHWWSVNQR-GFCCVEGCSA-N 0 3 267.354 2.188 20 5 CEBDHN CC(C)N(CCCOc1ccc([N+](=O)[O-])cc1)C1COC1 ZINC000590745553 345172757 /nfs/dbraw/zinc/17/27/57/345172757.db2.gz AEVOKEJQTPOBSZ-UHFFFAOYSA-N 0 3 294.351 2.473 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000590658109 345156445 /nfs/dbraw/zinc/15/64/45/345156445.db2.gz UZEFXAXRYUZMQU-OLZOCXBDSA-N 0 3 278.308 2.026 20 5 CEBDHN CC[C@@H](C)C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000592375777 345347425 /nfs/dbraw/zinc/34/74/25/345347425.db2.gz ZSUKGBFLFLITKS-DGCLKSJQSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@H](COCC1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000593681288 345520004 /nfs/dbraw/zinc/52/00/04/345520004.db2.gz FDMGPMOIHYKLJB-LLVKDONJSA-N 0 3 264.325 2.500 20 5 CEBDHN CC(C)c1ccc(CN[C@H]2C[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000593670411 345518790 /nfs/dbraw/zinc/51/87/90/345518790.db2.gz OZQWJOONOOHSHF-TXEJJXNPSA-N 0 3 291.351 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000594600475 345657112 /nfs/dbraw/zinc/65/71/12/345657112.db2.gz LJZOJOQEWRAYTC-CHWSQXEVSA-N 0 3 276.340 2.419 20 5 CEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000595069918 345739450 /nfs/dbraw/zinc/73/94/50/345739450.db2.gz TVDXAZLKZLOOTJ-WDEREUQCSA-N 0 3 264.325 2.406 20 5 CEBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594961571 345717870 /nfs/dbraw/zinc/71/78/70/345717870.db2.gz AGBOFBOQAMFWQJ-ZGLRSVDFSA-N 0 3 296.392 2.374 20 5 CEBDHN COc1ccc(CNC[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594982400 345721247 /nfs/dbraw/zinc/72/12/47/345721247.db2.gz DTMYRVKBOBIXQS-CYBMUJFWSA-N 0 3 294.351 2.102 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCOC1 ZINC000595009269 345726352 /nfs/dbraw/zinc/72/63/52/345726352.db2.gz BHHUCHZXEVRANZ-WDEREUQCSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000595034353 345731442 /nfs/dbraw/zinc/73/14/42/345731442.db2.gz WPLVMIYXJGRCFM-CUOATXAZSA-N 0 3 294.351 2.413 20 5 CEBDHN C[C@@H](N[C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056638 345736202 /nfs/dbraw/zinc/73/62/02/345736202.db2.gz OTIOMJFOALQJFG-QMTHXVAHSA-N 0 3 264.325 2.406 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC1(CCO)CCCC1 ZINC000595508029 345799667 /nfs/dbraw/zinc/79/96/67/345799667.db2.gz DUTNCPJBMDRECL-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN Cc1c(CN2C[C@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759418 345869187 /nfs/dbraw/zinc/86/91/87/345869187.db2.gz PXNJZRSVSDHIDD-DZGCQCFKSA-N 0 3 276.336 2.372 20 5 CEBDHN COc1ccc(OCCN2CC3CC2(C)C3)c([N+](=O)[O-])c1 ZINC000595915877 345912882 /nfs/dbraw/zinc/91/28/82/345912882.db2.gz QCINALFMVOMEDO-UHFFFAOYSA-N 0 3 292.335 2.467 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NCCCN1CCC(O)CC1 ZINC000596084609 345935967 /nfs/dbraw/zinc/93/59/67/345935967.db2.gz DCGNCCDCDYXZHC-UHFFFAOYSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1nc(N[C@@H](C)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000596489534 346037258 /nfs/dbraw/zinc/03/72/58/346037258.db2.gz WWZKIVIHTADYGG-LBPRGKRZSA-N 0 3 292.383 2.252 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C1(CO)CC1 ZINC000597256621 346163535 /nfs/dbraw/zinc/16/35/35/346163535.db2.gz WNOCNBYWLNDBHK-XYOKQWHBSA-N 0 3 276.336 2.455 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C(O)[C@@H](C)C1 ZINC000597206442 346148368 /nfs/dbraw/zinc/14/83/68/346148368.db2.gz ROVGWAVEVCJLPK-RYUDHWBXSA-N 0 3 278.352 2.352 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000597256706 346163409 /nfs/dbraw/zinc/16/34/09/346163409.db2.gz XJSLTRHZVLDCQK-GQCTYLIASA-N 0 3 262.309 2.065 20 5 CEBDHN CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598043865 346274812 /nfs/dbraw/zinc/27/48/12/346274812.db2.gz WTNHKVWIZNGWSV-NSHDSACASA-N 0 3 297.380 2.213 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598342497 346331775 /nfs/dbraw/zinc/33/17/75/346331775.db2.gz NWYPFXQJADBLNF-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598645327 346391408 /nfs/dbraw/zinc/39/14/08/346391408.db2.gz GUNRDPLYBUANNU-DGCLKSJQSA-N 0 3 264.325 2.045 20 5 CEBDHN Cn1cc(CN2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602606425 347097550 /nfs/dbraw/zinc/09/75/50/347097550.db2.gz CUFHMKVYHDNYTP-NSHDSACASA-N 0 3 266.345 2.196 20 5 CEBDHN CC1(C)[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000085637474 179110101 /nfs/dbraw/zinc/11/01/01/179110101.db2.gz WYEUGNKQPSCCLN-BNOWGMLFSA-N 0 3 276.336 2.498 20 5 CEBDHN C/C=C/C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690707 346568256 /nfs/dbraw/zinc/56/82/56/346568256.db2.gz PJZMUESAOFRQPD-YWVDXFKGSA-N 0 3 278.356 2.470 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601115262 346757110 /nfs/dbraw/zinc/75/71/10/346757110.db2.gz DYXYTSDZGOJMCA-NSHDSACASA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@H]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])O1 ZINC000128452740 187371094 /nfs/dbraw/zinc/37/10/94/187371094.db2.gz RTZJLHOQOIYIEO-CMPLNLGQSA-N 0 3 250.298 2.252 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCC[C@@H](O)C(F)F ZINC000601147536 346769121 /nfs/dbraw/zinc/76/91/21/346769121.db2.gz QWYQOUHJJUVJKH-OGOUPESXSA-N 0 3 286.278 2.214 20 5 CEBDHN CN1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100578 346752800 /nfs/dbraw/zinc/75/28/00/346752800.db2.gz NVSAKEHVMSHUDR-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN CC(C)c1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000602672744 347135402 /nfs/dbraw/zinc/13/54/02/347135402.db2.gz HPGNTDVABIDWGR-UHFFFAOYSA-N 0 3 289.339 2.169 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]2CCC[C@@H]21 ZINC000602787589 347197834 /nfs/dbraw/zinc/19/78/34/347197834.db2.gz ZOUXSJVIQGRVGQ-OLZOCXBDSA-N 0 3 278.356 2.364 20 5 CEBDHN CC[C@@](C)(CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733797 347177915 /nfs/dbraw/zinc/17/79/15/347177915.db2.gz WQUJTOLYWLBCSC-GJZGRUSLSA-N 0 3 296.367 2.207 20 5 CEBDHN CN(Cc1cn(C)nc1[N+](=O)[O-])C1(C)CCCC1 ZINC000602821923 347213793 /nfs/dbraw/zinc/21/37/93/347213793.db2.gz PCFWNQWEDYUSHC-UHFFFAOYSA-N 0 3 252.318 2.093 20 5 CEBDHN CCC(CC)N(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602834607 347218254 /nfs/dbraw/zinc/21/82/54/347218254.db2.gz USRFLTYDKWKSPA-UHFFFAOYSA-N 0 3 254.334 2.339 20 5 CEBDHN C[C@@](CO)(NCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000602961477 347257617 /nfs/dbraw/zinc/25/76/17/347257617.db2.gz AIIYPVCYJXEVQD-ZDUSSCGKSA-N 0 3 270.304 2.142 20 5 CEBDHN CCN1CCN([C@@H](C)CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610514955 347687985 /nfs/dbraw/zinc/68/79/85/347687985.db2.gz UXTHVNCXULPRQN-NSHDSACASA-N 0 3 298.412 2.094 20 5 CEBDHN Cc1ccc(CN[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108211 347739552 /nfs/dbraw/zinc/73/95/52/347739552.db2.gz GZKXVVJEPRETSV-CYBMUJFWSA-N 0 3 264.325 2.154 20 5 CEBDHN CN(C)CCSc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708447 347807554 /nfs/dbraw/zinc/80/75/54/347807554.db2.gz OHYJUJIAZCXZKJ-UHFFFAOYSA-N 0 3 278.337 2.192 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493468839 290827748 /nfs/dbraw/zinc/82/77/48/290827748.db2.gz ROCZJDVYEAUXQY-MDZDMXLPSA-N 0 3 291.351 2.064 20 5 CEBDHN CCOCC(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000339371771 215129655 /nfs/dbraw/zinc/12/96/55/215129655.db2.gz LKAFGYTWQBLEDF-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN CC[C@H](NCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087009770 179378604 /nfs/dbraw/zinc/37/86/04/179378604.db2.gz HWLZHRRJSVWEBI-LBPRGKRZSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CN1C1CC1 ZINC000357518832 233086895 /nfs/dbraw/zinc/08/68/95/233086895.db2.gz AIGSXHWGAJNBOB-GXSJLCMTSA-N 0 3 262.313 2.027 20 5 CEBDHN CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000618588317 348986733 /nfs/dbraw/zinc/98/67/33/348986733.db2.gz XXTSCUDGQRCMSL-SNVBAGLBSA-N 0 3 289.339 2.002 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339622948 215273280 /nfs/dbraw/zinc/27/32/80/215273280.db2.gz QVTMBKPBOGYVCV-TXEJJXNPSA-N 0 3 293.367 2.128 20 5 CEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104528536 186008276 /nfs/dbraw/zinc/00/82/76/186008276.db2.gz KARNAOXNXDIULB-UHFFFAOYSA-N 0 3 293.367 2.255 20 5 CEBDHN C[C@H](N[C@H](CO)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982702 233310183 /nfs/dbraw/zinc/31/01/83/233310183.db2.gz BOKSTGRSLAIVHC-NJZAAPMLSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071891 233329691 /nfs/dbraw/zinc/32/96/91/233329691.db2.gz HAEHHVABVCVDIE-DGCLKSJQSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1cccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000070093374 363031580 /nfs/dbraw/zinc/03/15/80/363031580.db2.gz JRUCSUVHQKLTCG-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CCN1CCC[C@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000070495825 363090947 /nfs/dbraw/zinc/09/09/47/363090947.db2.gz YNYIUPUMPCNHOX-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000122656742 187044648 /nfs/dbraw/zinc/04/46/48/187044648.db2.gz WWSUHCHUPPZPJT-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN CC(C)[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1C ZINC000487076357 290330565 /nfs/dbraw/zinc/33/05/65/290330565.db2.gz UTEBEGAKAGXHOD-AWEZNQCLSA-N 0 3 263.341 2.371 20 5 CEBDHN CCOc1cc(CN(C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000292067652 198150536 /nfs/dbraw/zinc/15/05/36/198150536.db2.gz DECPEENNKVBRGZ-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN C[C@@H]1CCC[C@@H](CO)N1Cc1cccc([N+](=O)[O-])c1 ZINC000136166251 187868335 /nfs/dbraw/zinc/86/83/35/187868335.db2.gz GMMTWNLWFKGLKV-RISCZKNCSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H]1CCCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163653 540204058 /nfs/dbraw/zinc/20/40/58/540204058.db2.gz HKVXZAPTDQVDKP-MFKMUULPSA-N 0 3 291.351 2.362 20 5 CEBDHN COC[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000452037884 283166594 /nfs/dbraw/zinc/16/65/94/283166594.db2.gz LUDCAIGPLSTVDH-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1ccc([C@@H](C)NCCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000135104161 366395776 /nfs/dbraw/zinc/39/57/76/366395776.db2.gz BGHIPURNSZPAAA-GFCCVEGCSA-N 0 3 293.367 2.469 20 5 CEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000135468440 366443993 /nfs/dbraw/zinc/44/39/93/366443993.db2.gz MQXBIYOUKNYPRW-MXWKQRLJSA-N 0 3 252.314 2.262 20 5 CEBDHN CC(C)[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465115 366444355 /nfs/dbraw/zinc/44/43/55/366444355.db2.gz HGQXBSHOIWBKND-ZWNOBZJWSA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2C[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000417407964 237115712 /nfs/dbraw/zinc/11/57/12/237115712.db2.gz UALWJRGEKJMTKF-GYSYKLTISA-N 0 3 264.325 2.467 20 5 CEBDHN CCN1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000145468412 366572805 /nfs/dbraw/zinc/57/28/05/366572805.db2.gz ZBUKTHUYCDGWFT-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN Cc1c([C@H](C)N[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949674 366678661 /nfs/dbraw/zinc/67/86/61/366678661.db2.gz QJJLLQBSMPCADG-KOLCDFICSA-N 0 3 252.314 2.325 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@]1(O)CCSC1 ZINC000176750636 189007801 /nfs/dbraw/zinc/00/78/01/189007801.db2.gz OFFKCRSCSKKNIH-LYKUJDHUSA-N 0 3 294.376 2.066 20 5 CEBDHN COC(=O)C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000179137075 189172145 /nfs/dbraw/zinc/17/21/45/189172145.db2.gz DJTUNAMJIVNUPV-ZDUSSCGKSA-N 0 3 292.335 2.431 20 5 CEBDHN CC[C@@H](NCC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539693 189200709 /nfs/dbraw/zinc/20/07/09/189200709.db2.gz KJYDVUNCGFULKT-UONOGXRCSA-N 0 3 282.340 2.033 20 5 CEBDHN COc1ccc(CN(CCCCO)C2CC2)cc1[N+](=O)[O-] ZINC000152534801 366701501 /nfs/dbraw/zinc/70/15/01/366701501.db2.gz IZYGKDWHQONZPC-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCOC1 ZINC000183388821 189357355 /nfs/dbraw/zinc/35/73/55/189357355.db2.gz BZUJYKOPGDHADF-LBPRGKRZSA-N 0 3 264.325 2.372 20 5 CEBDHN C[C@H](NCCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000184020793 189374735 /nfs/dbraw/zinc/37/47/35/189374735.db2.gz DZDZEIBGZBMNMB-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000094371410 364271560 /nfs/dbraw/zinc/27/15/60/364271560.db2.gz VOYKYMSEIRQPND-UKRRQHHQSA-N 0 3 292.335 2.023 20 5 CEBDHN COCCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774784 364295222 /nfs/dbraw/zinc/29/52/22/364295222.db2.gz LYBDJDALPLJMNE-UHFFFAOYSA-N 0 3 256.277 2.202 20 5 CEBDHN COc1ccc(CNC[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094802024 364296592 /nfs/dbraw/zinc/29/65/92/364296592.db2.gz YRRUOFNQRVXAJT-AWEZNQCLSA-N 0 3 280.324 2.262 20 5 CEBDHN COCC[C@H](COC)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059665 299342855 /nfs/dbraw/zinc/34/28/55/299342855.db2.gz GSAUVIGSIRDOIK-BXUZGUMPSA-N 0 3 294.351 2.223 20 5 CEBDHN Cc1ccc(CN[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000103955922 364672151 /nfs/dbraw/zinc/67/21/51/364672151.db2.gz XKOISBSHHJWRRB-LBPRGKRZSA-N 0 3 250.298 2.172 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000112311525 364790681 /nfs/dbraw/zinc/79/06/81/364790681.db2.gz BXVFCRIEXILRJO-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN C[C@@H](N[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793721 364844993 /nfs/dbraw/zinc/84/49/93/364844993.db2.gz NLQOKHYBXLKJCI-ZYHUDNBSSA-N 0 3 250.298 2.424 20 5 CEBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000275460253 193046165 /nfs/dbraw/zinc/04/61/65/193046165.db2.gz NEXXKYIOIUNBMK-CQSZACIVSA-N 0 3 294.351 2.066 20 5 CEBDHN CCC[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159145213 366882263 /nfs/dbraw/zinc/88/22/63/366882263.db2.gz WOUVFFIMEHGNPW-CQSZACIVSA-N 0 3 293.367 2.161 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C(C)(C)O ZINC000159162156 366883189 /nfs/dbraw/zinc/88/31/89/366883189.db2.gz HQTJTRHZFMUHMU-AWEZNQCLSA-N 0 3 294.351 2.339 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[C@H]1C ZINC000159197568 366888184 /nfs/dbraw/zinc/88/81/84/366888184.db2.gz AHAUPRFDQWNRIJ-NXEZZACHSA-N 0 3 250.298 2.349 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[C@H]1C ZINC000159197828 366888531 /nfs/dbraw/zinc/88/85/31/366888531.db2.gz AHAUPRFDQWNRIJ-ZJUUUORDSA-N 0 3 250.298 2.349 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275874878 193153078 /nfs/dbraw/zinc/15/30/78/193153078.db2.gz OFMFDDXTGDBCKP-MQMHXKEQSA-N 0 3 264.325 2.330 20 5 CEBDHN CC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159725469 366943257 /nfs/dbraw/zinc/94/32/57/366943257.db2.gz GKKOPRFWIQIWBK-GFCCVEGCSA-N 0 3 279.340 2.021 20 5 CEBDHN CCC(CC)(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000161502986 367092771 /nfs/dbraw/zinc/09/27/71/367092771.db2.gz XJYPWNWVOSNAKC-UHFFFAOYSA-N 0 3 266.341 2.483 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163248086 367226985 /nfs/dbraw/zinc/22/69/85/367226985.db2.gz GMRXVFCFTLXYLT-JQWIXIFHSA-N 0 3 250.298 2.109 20 5 CEBDHN CC(C)c1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000275931161 193165878 /nfs/dbraw/zinc/16/58/78/193165878.db2.gz XGEJDQPWZIJMAA-UHFFFAOYSA-N 0 3 293.367 2.352 20 5 CEBDHN CC[C@H](NC[C@@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051545 370886679 /nfs/dbraw/zinc/88/66/79/370886679.db2.gz WODRHCBQGHGGDG-VHDGCEQUSA-N 0 3 294.351 2.033 20 5 CEBDHN CC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798197 367945510 /nfs/dbraw/zinc/94/55/10/367945510.db2.gz UZIHCCWORANZAD-UHFFFAOYSA-N 0 3 292.335 2.417 20 5 CEBDHN CCCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000572581851 299380843 /nfs/dbraw/zinc/38/08/43/299380843.db2.gz DOJIZTVXGYLQRM-UHFFFAOYSA-N 0 3 282.319 2.415 20 5 CEBDHN CS[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000345349750 368244522 /nfs/dbraw/zinc/24/45/22/368244522.db2.gz QITIJFUXHLMMHO-CHWSQXEVSA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@@H](NCC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137922 296120175 /nfs/dbraw/zinc/12/01/75/296120175.db2.gz BUXZJKXHMGEPEO-DGIBIBHMSA-N 0 3 282.365 2.157 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC2CC2)CC1 ZINC000183284187 368620911 /nfs/dbraw/zinc/62/09/11/368620911.db2.gz JATBFGUDBAXONN-UHFFFAOYSA-N 0 3 289.379 2.431 20 5 CEBDHN COC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000346692063 368774604 /nfs/dbraw/zinc/77/46/04/368774604.db2.gz XNQVOHIPMJHTLK-WCQYABFASA-N 0 3 292.335 2.287 20 5 CEBDHN CC[C@H]1[C@@H](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678381 368842223 /nfs/dbraw/zinc/84/22/23/368842223.db2.gz SHXZWVQWSUDYRK-GWCFXTLKSA-N 0 3 291.351 2.314 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000348273089 368979217 /nfs/dbraw/zinc/97/92/17/368979217.db2.gz SDOGGOKQCLHAII-ZDUSSCGKSA-N 0 3 250.298 2.206 20 5 CEBDHN Cc1nc(NCCN2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348346892 369011340 /nfs/dbraw/zinc/01/13/40/369011340.db2.gz CSZOOLVCRACCRU-RYUDHWBXSA-N 0 3 292.383 2.395 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@H](O)C2)c(Cl)c1 ZINC000188847255 369418202 /nfs/dbraw/zinc/41/82/02/369418202.db2.gz ROQKPGDXDRDZKC-CABZTGNLSA-N 0 3 284.743 2.499 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189631139 369549400 /nfs/dbraw/zinc/54/94/00/369549400.db2.gz WRDKQQGRGCXUCW-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN C[C@H](NCCc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000276514882 193364579 /nfs/dbraw/zinc/36/45/79/193364579.db2.gz BHVSESOASJGIMV-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386472 369935546 /nfs/dbraw/zinc/93/55/46/369935546.db2.gz CJRJGKWFDXQESM-LLVKDONJSA-N 0 3 278.356 2.463 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN3CCCC[C@@H]23)s1 ZINC000226771481 370352168 /nfs/dbraw/zinc/35/21/68/370352168.db2.gz VZSNNWJAUVNOMI-IUCAKERBSA-N 0 3 268.342 2.090 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@H](O)C1 ZINC000230670636 370463292 /nfs/dbraw/zinc/46/32/92/370463292.db2.gz LQEWPFVHRHCYAR-YPMHNXCESA-N 0 3 264.325 2.236 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000231078716 370475459 /nfs/dbraw/zinc/47/54/59/370475459.db2.gz ZBGGNEIARMNJAM-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN CN(C)CCOCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231677209 370486643 /nfs/dbraw/zinc/48/66/43/370486643.db2.gz FTBXSOCVRBLDDX-UHFFFAOYSA-N 0 3 287.747 2.238 20 5 CEBDHN Cc1c(CN[C@H]2CN(C3CC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000358303214 371003439 /nfs/dbraw/zinc/00/34/39/371003439.db2.gz AVDANHJGBWNWBP-NHYWBVRUSA-N 0 3 289.379 2.476 20 5 CEBDHN C[C@@H](N[C@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602353 296164411 /nfs/dbraw/zinc/16/44/11/296164411.db2.gz VRTHLVWJKIQDII-RNCFNFMXSA-N 0 3 279.340 2.395 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C(C)C ZINC000359815952 371489786 /nfs/dbraw/zinc/48/97/86/371489786.db2.gz VLPGLBVFPRPWSR-AWEZNQCLSA-N 0 3 296.367 2.489 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252549760 371455199 /nfs/dbraw/zinc/45/51/99/371455199.db2.gz OALLJNCCYINZJG-QWRGUYRKSA-N 0 3 295.314 2.009 20 5 CEBDHN Cc1nc(NC[C@@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000268482679 372114834 /nfs/dbraw/zinc/11/48/34/372114834.db2.gz LUMNJQDJOQKOTL-ZDUSSCGKSA-N 0 3 296.396 2.147 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1 ZINC000269265233 372399487 /nfs/dbraw/zinc/39/94/87/372399487.db2.gz BOZXTUPXZCEVJM-UHFFFAOYSA-N 0 3 279.340 2.247 20 5 CEBDHN C[C@H](O)C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000269772581 372561945 /nfs/dbraw/zinc/56/19/45/372561945.db2.gz BUXYFWJEBBYTCU-STQMWFEESA-N 0 3 294.351 2.209 20 5 CEBDHN COCCN1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000269956850 372613360 /nfs/dbraw/zinc/61/33/60/372613360.db2.gz TXNLSWQPXDILBS-LBPRGKRZSA-N 0 3 279.340 2.036 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000270220012 372707072 /nfs/dbraw/zinc/70/70/72/372707072.db2.gz YYRKVCQYDWVDIP-DOMZBBRYSA-N 0 3 294.351 2.066 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000365370531 372838826 /nfs/dbraw/zinc/83/88/26/372838826.db2.gz CRSHGPBQHLEGAE-NNQSOWQGSA-N 0 3 276.336 2.188 20 5 CEBDHN CCC1(CC)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270592072 372858299 /nfs/dbraw/zinc/85/82/99/372858299.db2.gz TXQLSLGDUFLLKH-UHFFFAOYSA-N 0 3 293.367 2.269 20 5 CEBDHN CCNC(=O)[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344870149 217339716 /nfs/dbraw/zinc/33/97/16/217339716.db2.gz XKOMUUJAWMJKRA-NXIHDVOMSA-N 0 3 291.351 2.112 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](O)C(F)F ZINC000344991287 217380112 /nfs/dbraw/zinc/38/01/12/217380112.db2.gz XVENICPSSAQNBC-LRAPTIAOSA-N 0 3 286.278 2.214 20 5 CEBDHN Cc1ccc(N2CC[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375044155 374641127 /nfs/dbraw/zinc/64/11/27/374641127.db2.gz XYKVZYYKXBRJAL-DOMZBBRYSA-N 0 3 275.352 2.434 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1(O)Cc2ccccc2C1 ZINC000377767041 374946490 /nfs/dbraw/zinc/94/64/90/374946490.db2.gz DEYDSLPBCROWQH-UHFFFAOYSA-N 0 3 298.342 2.214 20 5 CEBDHN COC(=O)C(C)(C)CCNCc1ccccc1[N+](=O)[O-] ZINC000279972241 375049778 /nfs/dbraw/zinc/04/97/78/375049778.db2.gz PVYJBMNWAZVDNR-UHFFFAOYSA-N 0 3 280.324 2.274 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385858002 375245985 /nfs/dbraw/zinc/24/59/85/375245985.db2.gz YYWYMAVNIBPZCA-SMDDNHRTSA-N 0 3 294.351 2.196 20 5 CEBDHN COC(=O)CCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282361166 375465513 /nfs/dbraw/zinc/46/55/13/375465513.db2.gz DHOPHQZTECDRFO-UHFFFAOYSA-N 0 3 280.324 2.022 20 5 CEBDHN CC[C@H](COC)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863637 375773285 /nfs/dbraw/zinc/77/32/85/375773285.db2.gz BPTNZEIWEUAQRH-MWLCHTKSSA-N 0 3 267.329 2.253 20 5 CEBDHN CO[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995708 375793420 /nfs/dbraw/zinc/79/34/20/375793420.db2.gz HOJOBAKNBKXYAN-HZMBPMFUSA-N 0 3 281.356 2.499 20 5 CEBDHN CC[C@H](C)[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162575 375820206 /nfs/dbraw/zinc/82/02/06/375820206.db2.gz PWWSYMJRWZXFDH-IMSIIYSGSA-N 0 3 281.356 2.235 20 5 CEBDHN C[C@H](NCCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000287366819 376217076 /nfs/dbraw/zinc/21/70/76/376217076.db2.gz HNXJOVYGUCVCTM-LBPRGKRZSA-N 0 3 294.351 2.177 20 5 CEBDHN CCCN(CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000305737060 376464807 /nfs/dbraw/zinc/46/48/07/376464807.db2.gz UPXIEQJJMVWYPK-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H](CO)C1 ZINC000311325439 376664749 /nfs/dbraw/zinc/66/47/49/376664749.db2.gz BLKCMFYEXVIEOW-DGCLKSJQSA-N 0 3 264.325 2.236 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291011645 377030224 /nfs/dbraw/zinc/03/02/24/377030224.db2.gz BBYMJZIXEUMIKY-NSHDSACASA-N 0 3 252.314 2.452 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000564326176 377375641 /nfs/dbraw/zinc/37/56/41/377375641.db2.gz GOQQAWWPYJKDED-QWRGUYRKSA-N 0 3 264.329 2.093 20 5 CEBDHN CC[C@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000425917190 377388578 /nfs/dbraw/zinc/38/85/78/377388578.db2.gz JWZIHPTXWIQYHL-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC1(O)CCC1 ZINC000283827746 249359494 /nfs/dbraw/zinc/35/94/94/249359494.db2.gz DWBYVOGMUKCBAB-UHFFFAOYSA-N 0 3 264.325 2.298 20 5 CEBDHN COc1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000565241965 377621350 /nfs/dbraw/zinc/62/13/50/377621350.db2.gz AWFWAOVVQWHPCL-YABSGUDNSA-N 0 3 262.309 2.492 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCCCF)CC2 ZINC000332674616 377663001 /nfs/dbraw/zinc/66/30/01/377663001.db2.gz JVQMYZLXDZDUHS-UHFFFAOYSA-N 0 3 267.304 2.488 20 5 CEBDHN Cc1ccc([C@H](O)CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC000265975292 190219856 /nfs/dbraw/zinc/21/98/56/190219856.db2.gz LSALSJYFABWTFJ-CYBMUJFWSA-N 0 3 276.292 2.319 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000295913038 378353038 /nfs/dbraw/zinc/35/30/38/378353038.db2.gz JIEBKJBBFXCHCU-JLLWLGSASA-N 0 3 250.298 2.077 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCCN1CCCO ZINC000450591469 378489210 /nfs/dbraw/zinc/48/92/10/378489210.db2.gz GAIJLZVAMULMCA-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000266184774 190238073 /nfs/dbraw/zinc/23/80/73/190238073.db2.gz WOLCEANBHOKRHX-AWEZNQCLSA-N 0 3 276.292 2.185 20 5 CEBDHN CON1CCC(N(C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000453610751 378919978 /nfs/dbraw/zinc/91/99/78/378919978.db2.gz YOMQLOPELOCNNK-UHFFFAOYSA-N 0 3 279.340 2.052 20 5 CEBDHN CCOCC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571819 194050307 /nfs/dbraw/zinc/05/03/07/194050307.db2.gz CBNKHILEJCJQLM-GXTWGEPZSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1c([C@H](C)NC[C@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000278692994 194107018 /nfs/dbraw/zinc/10/70/18/194107018.db2.gz GXUQGUZXDSWLLF-SLEUVZQESA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N1CCCC1 ZINC000522316543 379569722 /nfs/dbraw/zinc/56/97/22/379569722.db2.gz JTGDNEJWCGXQHP-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000305151760 379663238 /nfs/dbraw/zinc/66/32/38/379663238.db2.gz AJNFTYQFYBNPLU-IUODEOHRSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000347914949 218398876 /nfs/dbraw/zinc/39/88/76/218398876.db2.gz OERQLBGSNSQWPO-GFCCVEGCSA-N 0 3 291.351 2.197 20 5 CEBDHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334042574 380220570 /nfs/dbraw/zinc/22/05/70/380220570.db2.gz SXTZBGWZPFWVCD-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279086343 194279085 /nfs/dbraw/zinc/27/90/85/194279085.db2.gz ORUOTVPOCZMUMS-HIFRSBDPSA-N 0 3 294.351 2.187 20 5 CEBDHN C[C@@H]1C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000548424784 380515124 /nfs/dbraw/zinc/51/51/24/380515124.db2.gz TXKSWMLEJKVCPG-PHIMTYICSA-N 0 3 250.298 2.456 20 5 CEBDHN COc1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000111046301 533025175 /nfs/dbraw/zinc/02/51/75/533025175.db2.gz SUVMEUBPJYBFDO-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN CC[C@H](CNCc1ccc([N+](=O)[O-])cc1C)OC ZINC000289420511 197339387 /nfs/dbraw/zinc/33/93/87/197339387.db2.gz BHYVJMGNPXLEMP-CYBMUJFWSA-N 0 3 252.314 2.418 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCCC2)s1 ZINC000192538732 285173250 /nfs/dbraw/zinc/17/32/50/285173250.db2.gz HWXURGKXFRVCEO-SNVBAGLBSA-N 0 3 282.369 2.116 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(C3CCCC3)C2)s1 ZINC000375600779 285181040 /nfs/dbraw/zinc/18/10/40/285181040.db2.gz VUZJHBBKJVQPEC-SECBINFHSA-N 0 3 282.369 2.480 20 5 CEBDHN Cc1ccc(CNCCOCC(F)F)cc1[N+](=O)[O-] ZINC000190899457 130159624 /nfs/dbraw/zinc/15/96/24/130159624.db2.gz HEBZWUNTZNDIQP-UHFFFAOYSA-N 0 3 274.267 2.275 20 5 CEBDHN CO[C@@H](C)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000191138887 130187821 /nfs/dbraw/zinc/18/78/21/130187821.db2.gz HTTKEIWHAXDWHC-ZRQQLDRUSA-N 0 3 250.298 2.233 20 5 CEBDHN Cc1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301418182 394460494 /nfs/dbraw/zinc/46/04/94/394460494.db2.gz BFUXRIUSKKLJSQ-AWEZNQCLSA-N 0 3 273.336 2.354 20 5 CEBDHN CC(=O)N1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000037138379 394495957 /nfs/dbraw/zinc/49/59/57/394495957.db2.gz NCZRMAVOOIPYIY-NSHDSACASA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CN(C)C ZINC000421557612 394551942 /nfs/dbraw/zinc/55/19/42/394551942.db2.gz RKPFEQQVKYPIFO-UHFFFAOYSA-N 0 3 293.367 2.282 20 5 CEBDHN Cc1ccc(CN[C@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000077424254 394621883 /nfs/dbraw/zinc/62/18/83/394621883.db2.gz VWVDICXTKXHXNI-GHMZBOCLSA-N 0 3 252.314 2.010 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000270099032 394725853 /nfs/dbraw/zinc/72/58/53/394725853.db2.gz LBWFPRDFFGBLLK-OCCSQVGLSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1cc(NC(=O)N2C[C@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415451140 394933598 /nfs/dbraw/zinc/93/35/98/394933598.db2.gz ZUQZNHBDQOHWHR-QWRGUYRKSA-N 0 3 292.339 2.117 20 5 CEBDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000152341885 394994543 /nfs/dbraw/zinc/99/45/43/394994543.db2.gz XALBOPNYEFTNIQ-CHWSQXEVSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H]1CSC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000285859132 394974564 /nfs/dbraw/zinc/97/45/64/394974564.db2.gz ILQFZTHRRDOBSD-MWLCHTKSSA-N 0 3 252.339 2.436 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000430199153 395164260 /nfs/dbraw/zinc/16/42/60/395164260.db2.gz AXYRVBDNWXIRRI-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN CN1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292429758 395195006 /nfs/dbraw/zinc/19/50/06/395195006.db2.gz XEQAUYRUWGJTSZ-ZDUSSCGKSA-N 0 3 296.758 2.175 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000181057359 395208465 /nfs/dbraw/zinc/20/84/65/395208465.db2.gz CRJTVVOOGSPLSC-JKOKRWQUSA-N 0 3 264.325 2.467 20 5 CEBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000440646367 395338721 /nfs/dbraw/zinc/33/87/21/395338721.db2.gz FPBNAVNMGXCEMB-UHFFFAOYSA-N 0 3 292.383 2.033 20 5 CEBDHN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000443864065 395403426 /nfs/dbraw/zinc/40/34/26/395403426.db2.gz SLYUHQDAQBMZBN-HQWBGCBWSA-N 0 3 276.336 2.311 20 5 CEBDHN Cc1nn(C)c(NCCN2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000443969179 395408177 /nfs/dbraw/zinc/40/81/77/395408177.db2.gz RPNVRHZBMAVGNY-UHFFFAOYSA-N 0 3 295.387 2.171 20 5 CEBDHN COc1cc(CN2C[C@H](C)C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420931317 395437805 /nfs/dbraw/zinc/43/78/05/395437805.db2.gz DBTVGZNOUZEYTA-YPMHNXCESA-N 0 3 294.351 2.054 20 5 CEBDHN C[C@@H](Cc1cnn(C)c1)NCc1ccc([N+](=O)[O-])cc1F ZINC000449591989 395556342 /nfs/dbraw/zinc/55/63/42/395556342.db2.gz XTLSZSMQXJLHDE-JTQLQIEISA-N 0 3 292.314 2.188 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453632 153323158 /nfs/dbraw/zinc/32/31/58/153323158.db2.gz WPPACHWCCUIGDR-LDYMZIIASA-N 0 3 274.267 2.180 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286243205 292289637 /nfs/dbraw/zinc/28/96/37/292289637.db2.gz FMMVXOVDPQZMLF-QWHCGFSZSA-N 0 3 290.367 2.361 20 5 CEBDHN CN1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000035368277 172159423 /nfs/dbraw/zinc/15/94/23/172159423.db2.gz AUEHGGVXAQRBMK-UHFFFAOYSA-N 0 3 283.759 2.432 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCOC1 ZINC000038046021 174054558 /nfs/dbraw/zinc/05/45/58/174054558.db2.gz VBMAKWAYHDVHES-LLVKDONJSA-N 0 3 280.324 2.120 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000566858594 299027234 /nfs/dbraw/zinc/02/72/34/299027234.db2.gz RUEHKVRERNTZKD-RISCZKNCSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000517757578 260215903 /nfs/dbraw/zinc/21/59/03/260215903.db2.gz TWMBSKZEBCPWTR-GIPNMCIBSA-N 0 3 262.309 2.349 20 5 CEBDHN COc1ccc(OCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000193995550 270291733 /nfs/dbraw/zinc/29/17/33/270291733.db2.gz PCRDTFHJVFPPSM-UHFFFAOYSA-N 0 3 266.297 2.078 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000230677878 270313963 /nfs/dbraw/zinc/31/39/63/270313963.db2.gz IORKIAPVIKPIAL-CHWSQXEVSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[C@H]3O)o2)cc1 ZINC000424194560 271030749 /nfs/dbraw/zinc/03/07/49/271030749.db2.gz BISMCNVRBAMOGG-ZIAGYGMSSA-N 0 3 288.303 2.468 20 5 CEBDHN CC1(C)CN(c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000212733805 276135446 /nfs/dbraw/zinc/13/54/46/276135446.db2.gz HLUMNTZWRFEEMV-UHFFFAOYSA-N 0 3 269.732 2.436 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375051814 277178306 /nfs/dbraw/zinc/17/83/06/277178306.db2.gz XEEASZBEYQSVFR-HZMBPMFUSA-N 0 3 279.315 2.264 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272135639 281013655 /nfs/dbraw/zinc/01/36/55/281013655.db2.gz AJVSGGRPPITJBT-WFASDCNBSA-N 0 3 275.352 2.434 20 5 CEBDHN CCC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723681 281083442 /nfs/dbraw/zinc/08/34/42/281083442.db2.gz LXQGRDCVBDRZSF-CYBMUJFWSA-N 0 3 291.351 2.213 20 5 CEBDHN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455977 281237961 /nfs/dbraw/zinc/23/79/61/281237961.db2.gz SOFAUCDPWXXVEG-PSASIEDQSA-N 0 3 274.267 2.262 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCC[C@@H]1CCO ZINC000429762424 281253061 /nfs/dbraw/zinc/25/30/61/281253061.db2.gz PUBLHPWGQAEREC-ZWNOBZJWSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC(=O)N(C)C1 ZINC000152423379 289088300 /nfs/dbraw/zinc/08/83/00/289088300.db2.gz YSXALAOEWZAABV-RYUDHWBXSA-N 0 3 291.351 2.175 20 5 CEBDHN CC[C@H](C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532291726 298138771 /nfs/dbraw/zinc/13/87/71/298138771.db2.gz SYOXGXMAWOVHEG-LBPRGKRZSA-N 0 3 278.356 2.158 20 5 CEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842352 314316397 /nfs/dbraw/zinc/31/63/97/314316397.db2.gz GNYMMAYLSHHUCO-GWCFXTLKSA-N 0 3 294.330 2.192 20 5 CEBDHN CCOc1cc(CN2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000577009228 314332764 /nfs/dbraw/zinc/33/27/64/314332764.db2.gz XFDZZXSUTPXSGP-OAHLLOKOSA-N 0 3 294.351 2.340 20 5 CEBDHN O=[N+]([O-])c1cnc2ccccc2c1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000577049701 314336301 /nfs/dbraw/zinc/33/63/01/314336301.db2.gz XBNRRXFOBLOLPJ-TXEJJXNPSA-N 0 3 298.346 2.474 20 5 CEBDHN CO[C@@H]([C@@H](C)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253977 321883096 /nfs/dbraw/zinc/88/30/96/321883096.db2.gz YNWPREJIFYHTKF-YGRLFVJLSA-N 0 3 264.325 2.498 20 5 CEBDHN C[C@H](N[C@H](CO)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982699 533996713 /nfs/dbraw/zinc/99/67/13/533996713.db2.gz BOKSTGRSLAIVHC-CORIIIEPSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294901 534088258 /nfs/dbraw/zinc/08/82/58/534088258.db2.gz DETRGZVNCYKBAZ-HZMBPMFUSA-N 0 3 264.325 2.333 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000052812238 521641070 /nfs/dbraw/zinc/64/10/70/521641070.db2.gz VDKAIGNFNDYRTG-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000050444019 524486278 /nfs/dbraw/zinc/48/62/78/524486278.db2.gz QEIDWOJKYRMAAB-SECBINFHSA-N 0 3 271.748 2.288 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN(C)C1 ZINC000052812791 525576131 /nfs/dbraw/zinc/57/61/31/525576131.db2.gz JXZQHWGYHXHNRC-LLVKDONJSA-N 0 3 264.329 2.052 20 5 CEBDHN CN(c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000732054541 574611059 /nfs/dbraw/zinc/61/10/59/574611059.db2.gz YYZXOHDAUSIBQD-GFCCVEGCSA-N 0 3 279.315 2.407 20 5 CEBDHN Cc1sc(C(=O)N[C@H](CN(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000733168315 574646885 /nfs/dbraw/zinc/64/68/85/574646885.db2.gz SXGSDTVVFAKJJV-SNVBAGLBSA-N 0 3 299.396 2.281 20 5 CEBDHN Cc1cccc(C(=O)NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742238216 575013034 /nfs/dbraw/zinc/01/30/34/575013034.db2.gz XNEIQBJJZMTLLB-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc(CN[C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000748820512 575198141 /nfs/dbraw/zinc/19/81/41/575198141.db2.gz NZMXYKYFPQTAMS-LBPRGKRZSA-N 0 3 286.335 2.414 20 5 CEBDHN C[C@@H]1C[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082022 575246167 /nfs/dbraw/zinc/24/61/67/575246167.db2.gz QAGAEXBOBDOTSZ-SUNKGSAMSA-N 0 3 264.325 2.359 20 5 CEBDHN C[C@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000751928597 575301461 /nfs/dbraw/zinc/30/14/61/575301461.db2.gz NFJBDQUMLKNSLI-QWRGUYRKSA-N 0 3 274.324 2.490 20 5 CEBDHN CS[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813107110 623027097 /nfs/dbraw/zinc/02/70/97/623027097.db2.gz JWDZLSVHDJQRNR-KOLCDFICSA-N 0 3 269.322 2.299 20 5 CEBDHN C[C@@H](CCO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000090740046 623508789 /nfs/dbraw/zinc/50/87/89/623508789.db2.gz GNDKTAJSKSFKLC-VIFPVBQESA-N 0 3 272.732 2.356 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000892572562 627281973 /nfs/dbraw/zinc/28/19/73/627281973.db2.gz ZNFFWLMDJKNISG-SCZZXKLOSA-N 0 3 266.297 2.055 20 5 CEBDHN COc1ccc2c(c1)CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000893048549 627968679 /nfs/dbraw/zinc/96/86/79/627968679.db2.gz XVMVMGZQGYVJOO-MFKMUULPSA-N 0 3 293.319 2.009 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H](C)F)c1[N+](=O)[O-] ZINC000894623751 629562529 /nfs/dbraw/zinc/56/25/29/629562529.db2.gz JNCGMEKDPKJGSS-MRVPVSSYSA-N 0 3 272.276 2.147 20 5 CEBDHN CN1C[C@]2(C)CN(c3sccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894798394 629646757 /nfs/dbraw/zinc/64/67/57/629646757.db2.gz UNFNQVVCRKSHBF-BETUJISGSA-N 0 3 281.381 2.434 20 5 CEBDHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804324171 631664386 /nfs/dbraw/zinc/66/43/86/631664386.db2.gz YPMXVBAAZJLLAD-JTQLQIEISA-N 0 3 294.311 2.399 20 5 CEBDHN C[C@H](NCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083448 632450750 /nfs/dbraw/zinc/45/07/50/632450750.db2.gz GWMHJXOHKRTACP-FZMZJTMJSA-N 0 3 280.324 2.051 20 5 CEBDHN CC(COC(=O)Cc1c(F)cccc1Cl)[N+](=O)[O-] ZINC000813100877 632620781 /nfs/dbraw/zinc/62/07/81/632620781.db2.gz XPJIVWNVCNAMIN-SSDOTTSWSA-N 0 3 275.663 2.230 20 5 CEBDHN CC(COC(=O)/C=C\SCc1ccco1)[N+](=O)[O-] ZINC000813103600 632622742 /nfs/dbraw/zinc/62/27/42/632622742.db2.gz RDZTVVGOWHXSRD-RNEXMXFGSA-N 0 3 271.294 2.235 20 5 CEBDHN CC(COC(=O)CCSc1ccccc1)[N+](=O)[O-] ZINC000813105755 632623304 /nfs/dbraw/zinc/62/33/04/632623304.db2.gz UDPABDRMBKOFTP-JTQLQIEISA-N 0 3 269.322 2.377 20 5 CEBDHN COc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109337 632625399 /nfs/dbraw/zinc/62/53/99/632625399.db2.gz IJDWLOPXYBVAMU-QWRGUYRKSA-N 0 3 281.308 2.082 20 5 CEBDHN Cc1cccc(C)c1OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109891 632626148 /nfs/dbraw/zinc/62/61/48/632626148.db2.gz QANBVDQZJYFJQS-GFCCVEGCSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)CCc1cncc2ccccc21)[N+](=O)[O-] ZINC000813110635 632626656 /nfs/dbraw/zinc/62/66/56/632626656.db2.gz GDMGLVGKQIDVKB-LLVKDONJSA-N 0 3 288.303 2.376 20 5 CEBDHN Cc1ccn(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813110717 632626840 /nfs/dbraw/zinc/62/68/40/632626840.db2.gz IBDAKSLGTUEFJT-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)c1cccn1Cc1cccs1)[N+](=O)[O-] ZINC000813111937 632627363 /nfs/dbraw/zinc/62/73/63/632627363.db2.gz BJNGASYDSYCPAF-SNVBAGLBSA-N 0 3 294.332 2.420 20 5 CEBDHN CC(COC(=O)[C@H](C)CC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813113426 632628036 /nfs/dbraw/zinc/62/80/36/632628036.db2.gz PUMXUMTVWCCMQV-NXEZZACHSA-N 0 3 297.282 2.243 20 5 CEBDHN Cc1cc(OC(F)F)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813113372 632628306 /nfs/dbraw/zinc/62/83/06/632628306.db2.gz ZTBQRYQZYLEKAA-RXMQYKEDSA-N 0 3 295.263 2.480 20 5 CEBDHN Cc1ccc(Cl)c(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114464 632628386 /nfs/dbraw/zinc/62/83/86/632628386.db2.gz BXEQJTFOZRCRHW-VIFPVBQESA-N 0 3 287.699 2.236 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)c1 ZINC000817131919 633590412 /nfs/dbraw/zinc/59/04/12/633590412.db2.gz VLQQEEAMVAQQGB-JTQLQIEISA-N 0 3 297.330 2.273 20 5 CEBDHN COCC1(N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903138975 634987841 /nfs/dbraw/zinc/98/78/41/634987841.db2.gz BURAKARYPARTQW-SNVBAGLBSA-N 0 3 280.324 2.433 20 5 CEBDHN CC(C)(CNCC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000905072785 635812645 /nfs/dbraw/zinc/81/26/45/635812645.db2.gz SMDDVZWBBKJFJH-UHFFFAOYSA-N 0 3 256.733 2.484 20 5 CEBDHN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000905242233 636193662 /nfs/dbraw/zinc/19/36/62/636193662.db2.gz BULVUXMPEAONAZ-WDEREUQCSA-N 0 3 285.141 2.171 20 5 CEBDHN CCN(CCSC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830999474 637214201 /nfs/dbraw/zinc/21/42/01/637214201.db2.gz MENXNMDFTNXHBZ-CYBMUJFWSA-N 0 3 284.381 2.313 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000226129899 639525644 /nfs/dbraw/zinc/52/56/44/639525644.db2.gz JFZNCVDJTZGVQJ-VIFPVBQESA-N 0 3 297.742 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844469777 640740199 /nfs/dbraw/zinc/74/01/99/640740199.db2.gz DZTLNDDMDYUGBM-QWHCGFSZSA-N 0 3 298.289 2.359 20 5 CEBDHN Cc1ccc(CNC(=O)[C@@H](N)CCC(C)C)cc1[N+](=O)[O-] ZINC000877241239 650638404 /nfs/dbraw/zinc/63/84/04/650638404.db2.gz OEFUESXNIUFVIL-ZDUSSCGKSA-N 0 3 293.367 2.283 20 5 CEBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1OC(C)C ZINC000851036400 642889523 /nfs/dbraw/zinc/88/95/23/642889523.db2.gz IZBHPPDSYTWHOA-JTQLQIEISA-N 0 3 297.307 2.304 20 5 CEBDHN COC(OC)[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000922312458 643020043 /nfs/dbraw/zinc/02/00/43/643020043.db2.gz YYZJAHIYYBWIHC-JYKYSHPRSA-N 0 3 280.324 2.205 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCO[C@@H]1CCOC1 ZINC000922934579 643462816 /nfs/dbraw/zinc/46/28/16/643462816.db2.gz LXGSADFEOKDRSK-CYBMUJFWSA-N 0 3 294.351 2.107 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1F ZINC000852583564 643481780 /nfs/dbraw/zinc/48/17/80/643481780.db2.gz YDGOABCGTIHWOS-STQMWFEESA-N 0 3 280.299 2.127 20 5 CEBDHN C[C@@](CO)(NC[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692318 650853681 /nfs/dbraw/zinc/85/36/81/650853681.db2.gz YFASDJFBUYOKRE-GJZGRUSLSA-N 0 3 292.335 2.085 20 5 CEBDHN C[C@H](NC[C@@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740238 645573473 /nfs/dbraw/zinc/57/34/73/645573473.db2.gz YVDFMJAFZCBRNV-GWCFXTLKSA-N 0 3 290.319 2.341 20 5 CEBDHN CC[S@@](=O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182144 646814829 /nfs/dbraw/zinc/81/48/29/646814829.db2.gz JAZBICRXFLHNST-JLTOFOAXSA-N 0 3 296.392 2.330 20 5 CEBDHN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000776578476 647072635 /nfs/dbraw/zinc/07/26/35/647072635.db2.gz GFPVSUYLVMIKGK-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cn(C3CC3)cn2)cc1 ZINC000865450581 647298934 /nfs/dbraw/zinc/29/89/34/647298934.db2.gz DZHXUSGPXLEZCH-UHFFFAOYSA-N 0 3 286.335 2.459 20 5 CEBDHN COc1cc(CNC[C@@H]2CCC=CO2)c([N+](=O)[O-])cc1O ZINC000780568131 647446755 /nfs/dbraw/zinc/44/67/55/647446755.db2.gz WNJFEERVXMRRGT-NSHDSACASA-N 0 3 294.307 2.091 20 5 CEBDHN CN(CCCn1ccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788488025 648193938 /nfs/dbraw/zinc/19/39/38/648193938.db2.gz GLQXCKLXOACTQG-UHFFFAOYSA-N 0 3 292.314 2.453 20 5 CEBDHN COC(=O)[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000792200381 648624697 /nfs/dbraw/zinc/62/46/97/648624697.db2.gz ICMUOKOOQIWFSI-PWSUYJOCSA-N 0 3 278.308 2.026 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)OC(C)(C)C2)[N+](=O)[O-] ZINC000870376452 648788942 /nfs/dbraw/zinc/78/89/42/648788942.db2.gz JTJWAIKHQJNLER-VIFPVBQESA-N 0 3 279.292 2.222 20 5 CEBDHN C[C@H](N[C@@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024604 649244549 /nfs/dbraw/zinc/24/45/49/649244549.db2.gz UHVDNEMZPPKSCD-WDEREUQCSA-N 0 3 281.331 2.479 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[C@H](O)C1 ZINC000872127499 649286214 /nfs/dbraw/zinc/28/62/14/649286214.db2.gz VGSWACKJDLVLII-CKYFFXLPSA-N 0 3 280.324 2.025 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202470 649313532 /nfs/dbraw/zinc/31/35/32/649313532.db2.gz JJRIRAILXBESQE-YPMHNXCESA-N 0 3 296.367 2.076 20 5 CEBDHN Cc1c(CNCCOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873048936 649544425 /nfs/dbraw/zinc/54/44/25/649544425.db2.gz SBCVWPRMUDBJFQ-ZDUSSCGKSA-N 0 3 294.351 2.046 20 5 CEBDHN COCC1(N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000880185829 651397328 /nfs/dbraw/zinc/39/73/28/651397328.db2.gz DXPVQKWBFVLLJM-AWEZNQCLSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1c(CN2[C@H](C)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000880440798 651441668 /nfs/dbraw/zinc/44/16/68/651441668.db2.gz JHUTZIOJZVOZIE-ZWNOBZJWSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881808753 651889411 /nfs/dbraw/zinc/88/94/11/651889411.db2.gz BXTRGSBUDZMJGY-SNVBAGLBSA-N 0 3 282.319 2.273 20 5 CEBDHN CC(C)(CCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000135227632 652953160 /nfs/dbraw/zinc/95/31/60/652953160.db2.gz OADSEXJTMUKYAV-UHFFFAOYSA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000721873799 806411786 /nfs/dbraw/zinc/41/17/86/806411786.db2.gz NINYJLVMQGPHMK-CYBMUJFWSA-N 0 3 278.352 2.496 20 5 CEBDHN CC[C@H]1COC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000699477215 807725630 /nfs/dbraw/zinc/72/56/30/807725630.db2.gz DZWRPXWWYNWAFT-CMPLNLGQSA-N 0 3 250.298 2.109 20 5 CEBDHN CC[C@H](C[C@H](C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000716828977 815152232 /nfs/dbraw/zinc/15/22/32/815152232.db2.gz KTQLLGXYKBQOOI-GXSJLCMTSA-N 0 3 270.304 2.373 20 5 CEBDHN CCC1([N-]c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168581106 808664413 /nfs/dbraw/zinc/66/44/13/808664413.db2.gz RORIOOWAWSNROX-UHFFFAOYSA-N 0 3 297.746 2.080 20 5 CEBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967479 811319322 /nfs/dbraw/zinc/31/93/22/811319322.db2.gz PWSCQMNZNZOVJS-MFKMUULPSA-N 0 3 280.299 2.043 20 5 CEBDHN C[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168974677 811323035 /nfs/dbraw/zinc/32/30/35/811323035.db2.gz SGBORONWFCUZCJ-GUBZILKMSA-N 0 3 255.343 2.239 20 5 CEBDHN CCCCN(CC(=O)OCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169049037 811357272 /nfs/dbraw/zinc/35/72/72/811357272.db2.gz VUJJLNHPHSSDEF-CHWSQXEVSA-N 0 3 286.372 2.097 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCF)c1F ZINC001173175793 815617115 /nfs/dbraw/zinc/61/71/15/815617115.db2.gz CYYJLNUYGUKUBS-QMMMGPOBSA-N 0 3 274.267 2.233 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCOCC1 ZINC001173229425 815630688 /nfs/dbraw/zinc/63/06/88/815630688.db2.gz UUJXQYBEWHVFEU-GFCCVEGCSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@H](O)C(F)F ZINC000601298715 346815208 /nfs/dbraw/zinc/81/52/08/346815208.db2.gz JKPMFSJJJOEDBP-JQWIXIFHSA-N 0 3 286.278 2.188 20 5 CEBDHN CC[C@H](NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000034959137 361801687 /nfs/dbraw/zinc/80/16/87/361801687.db2.gz ZMLUNFIJYHEGHC-ZDUSSCGKSA-N 0 3 251.330 2.197 20 5 CEBDHN Cc1ccc([C@H](C)NCCC2OCCO2)cc1[N+](=O)[O-] ZINC000125529970 187189770 /nfs/dbraw/zinc/18/97/70/187189770.db2.gz UFSHYMUGEXUZIN-NSHDSACASA-N 0 3 280.324 2.317 20 5 CEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032662875 343414706 /nfs/dbraw/zinc/41/47/06/343414706.db2.gz XPNOHLZXZATDJY-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC(CCO)CC2)cc1 ZINC000034523767 343419929 /nfs/dbraw/zinc/41/99/29/343419929.db2.gz UQFXKDCPJMGIAE-UHFFFAOYSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCCCn1ccnc1 ZINC000045105701 343480845 /nfs/dbraw/zinc/48/08/45/343480845.db2.gz UTFUSRVZNQFHJV-UHFFFAOYSA-N 0 3 274.324 2.361 20 5 CEBDHN CCN1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000043056626 343460129 /nfs/dbraw/zinc/46/01/29/343460129.db2.gz KWKDDGCPETXGIX-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCO1 ZINC000295010008 199298006 /nfs/dbraw/zinc/29/80/06/199298006.db2.gz JKBRGNSVRVKDSW-CYBMUJFWSA-N 0 3 250.298 2.172 20 5 CEBDHN Cc1c(C(=O)NC[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000057719424 343636740 /nfs/dbraw/zinc/63/67/40/343636740.db2.gz AIDUWRZAFHBZGT-JTQLQIEISA-N 0 3 291.351 2.116 20 5 CEBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000057854455 343639196 /nfs/dbraw/zinc/63/91/96/343639196.db2.gz VBRWRLFSBBJVPY-UHFFFAOYSA-N 0 3 293.302 2.236 20 5 CEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000063465665 343677482 /nfs/dbraw/zinc/67/74/82/343677482.db2.gz XDMMSYSJAKBZPM-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CC(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068782150 343773123 /nfs/dbraw/zinc/77/31/23/343773123.db2.gz IPNWXBXLOKTNKX-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN CNC(=O)C[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449601995 282300463 /nfs/dbraw/zinc/30/04/63/282300463.db2.gz NYMWSZBPZOURLV-RDQDRAATSA-N 0 3 291.351 2.112 20 5 CEBDHN Cc1cnc(NCCN2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078630929 343959448 /nfs/dbraw/zinc/95/94/48/343959448.db2.gz WBYAVXJDTCULPN-NSHDSACASA-N 0 3 278.356 2.442 20 5 CEBDHN Cc1c(CN[C@H]2C[C@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541256 344337309 /nfs/dbraw/zinc/33/73/09/344337309.db2.gz VXYOEGPDXSHMDP-STQMWFEESA-N 0 3 264.325 2.152 20 5 CEBDHN CN(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000146361989 344410405 /nfs/dbraw/zinc/41/04/05/344410405.db2.gz NQVLHJIYOQBTOM-NSHDSACASA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1nc(N[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000161560842 344464678 /nfs/dbraw/zinc/46/46/78/344464678.db2.gz JKZZDQAHGAOBAI-MWLCHTKSSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1cnc(N[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227535221 344554269 /nfs/dbraw/zinc/55/42/69/344554269.db2.gz GPPSUXDGOQVRIU-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)C1 ZINC000602483768 347055330 /nfs/dbraw/zinc/05/53/30/347055330.db2.gz LCZFKEOLPPTPQR-WDEREUQCSA-N 0 3 266.345 2.196 20 5 CEBDHN COc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000313138128 344741459 /nfs/dbraw/zinc/74/14/59/344741459.db2.gz QTWSGCMJKDLPSK-UHFFFAOYSA-N 0 3 293.348 2.392 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](CO)CC2)cc1 ZINC000292980267 344690144 /nfs/dbraw/zinc/69/01/44/344690144.db2.gz BHGNSSDNFMPWTJ-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000602569240 347081936 /nfs/dbraw/zinc/08/19/36/347081936.db2.gz PRKCTIQSSQXIBI-IRXDYDNUSA-N 0 3 298.342 2.385 20 5 CEBDHN Cc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402270394 344872323 /nfs/dbraw/zinc/87/23/23/344872323.db2.gz DLQZGIACANENLU-JQWIXIFHSA-N 0 3 250.298 2.170 20 5 CEBDHN CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000127282534 187294122 /nfs/dbraw/zinc/29/41/22/187294122.db2.gz LSBBKOYNUOHCTR-AAEUAGOBSA-N 0 3 293.367 2.421 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(CC2CC2)C1 ZINC000588817909 345055733 /nfs/dbraw/zinc/05/57/33/345055733.db2.gz DHGXQBBMRZAMPS-LBPRGKRZSA-N 0 3 293.371 2.016 20 5 CEBDHN Cc1c(CN2CC[C@@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590012834 345110238 /nfs/dbraw/zinc/11/02/38/345110238.db2.gz ZLIZBBQDBSBFLH-UKRRQHHQSA-N 0 3 275.352 2.039 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNCC1(C)C ZINC000591677768 345273694 /nfs/dbraw/zinc/27/36/94/345273694.db2.gz CKZBGFBQEZNDEP-UHFFFAOYSA-N 0 3 291.351 2.036 20 5 CEBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000591678385 345273925 /nfs/dbraw/zinc/27/39/25/345273925.db2.gz SAPQLTOMBUCTLK-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000593070927 345432862 /nfs/dbraw/zinc/43/28/62/345432862.db2.gz YHWZPFSWQNHTBY-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1ccc(CN(C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593693772 345522533 /nfs/dbraw/zinc/52/25/33/345522533.db2.gz CUFYQFMANMNBHT-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1nn(C)c(N[C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594600460 345657176 /nfs/dbraw/zinc/65/71/76/345657176.db2.gz LJVGODVRDUISFQ-NEPJUHHUSA-N 0 3 293.371 2.066 20 5 CEBDHN C[C@@H](O)CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613151 345661801 /nfs/dbraw/zinc/66/18/01/345661801.db2.gz ABMDTWDMIOAGOZ-FVOPLDGLSA-N 0 3 276.336 2.453 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000594506574 345639680 /nfs/dbraw/zinc/63/96/80/345639680.db2.gz CFWIOCFFWFIHPU-OBEQPXDXSA-N 0 3 274.320 2.492 20 5 CEBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594599917 345656475 /nfs/dbraw/zinc/65/64/75/345656475.db2.gz KFNCHINTIGEISU-VXGBXAGGSA-N 0 3 276.340 2.419 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000059035277 362646120 /nfs/dbraw/zinc/64/61/20/362646120.db2.gz NMNHGCLMBWICFW-SNVBAGLBSA-N 0 3 265.288 2.383 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC=CC3)CC2)cn1 ZINC000595287859 345754573 /nfs/dbraw/zinc/75/45/73/345754573.db2.gz NZUVNIPGGIXNEL-UHFFFAOYSA-N 0 3 288.351 2.078 20 5 CEBDHN Cc1ccc(CNCCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000594970142 345719705 /nfs/dbraw/zinc/71/97/05/345719705.db2.gz CUISKEPGLQQSKC-GFCCVEGCSA-N 0 3 286.278 2.417 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)N(C)C ZINC000595012076 345726962 /nfs/dbraw/zinc/72/69/62/345726962.db2.gz NDBFUOSPMSIVEJ-QWRGUYRKSA-N 0 3 281.356 2.204 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC1CC(O)C1 ZINC000595039223 345732934 /nfs/dbraw/zinc/73/29/34/345732934.db2.gz DODVGIOHIMQYAJ-XSRFYTQQSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCCO ZINC000595052458 345735547 /nfs/dbraw/zinc/73/55/47/345735547.db2.gz XIJOVTOISSDNHW-JTQLQIEISA-N 0 3 268.313 2.027 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCCCO ZINC000595055801 345735891 /nfs/dbraw/zinc/73/58/91/345735891.db2.gz ZTWHCYWPUFSAGB-NSHDSACASA-N 0 3 282.340 2.417 20 5 CEBDHN C[C@H](N[C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056637 345736133 /nfs/dbraw/zinc/73/61/33/345736133.db2.gz OTIOMJFOALQJFG-IINYFYTJSA-N 0 3 264.325 2.406 20 5 CEBDHN CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000595470072 345791542 /nfs/dbraw/zinc/79/15/42/345791542.db2.gz LWDUQPXUQLMWBU-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595829893 345888087 /nfs/dbraw/zinc/88/80/87/345888087.db2.gz JISYPWGZCMPXHR-QWHCGFSZSA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(COC2)C1 ZINC000595835686 345892378 /nfs/dbraw/zinc/89/23/78/345892378.db2.gz VWOODUBBKQJSJM-LLVKDONJSA-N 0 3 262.309 2.378 20 5 CEBDHN Cc1c(CN2C[C@H](C)C(O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595750157 345865680 /nfs/dbraw/zinc/86/56/80/345865680.db2.gz PICNAMYPJGELME-QWRGUYRKSA-N 0 3 278.352 2.352 20 5 CEBDHN CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596069371 345932368 /nfs/dbraw/zinc/93/23/68/345932368.db2.gz FJMPBCYNLGYFLB-LBPRGKRZSA-N 0 3 294.355 2.228 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000596309282 345995868 /nfs/dbraw/zinc/99/58/68/345995868.db2.gz XNAVMYYZGPKXKV-JTQLQIEISA-N 0 3 264.329 2.275 20 5 CEBDHN CC(C)(C)N1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000596334554 346002312 /nfs/dbraw/zinc/00/23/12/346002312.db2.gz CEPSQAAMGKFGJK-JTQLQIEISA-N 0 3 264.329 2.275 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCc3[nH]ncc3C2)c(F)c1 ZINC000596597502 346062907 /nfs/dbraw/zinc/06/29/07/346062907.db2.gz UQIXJSJCLLHFBJ-UHFFFAOYSA-N 0 3 290.298 2.405 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2COC[C@@]2(C)C1 ZINC000597212332 346150008 /nfs/dbraw/zinc/15/00/08/346150008.db2.gz UNWHLEXDIKRFQJ-DZGCQCFKSA-N 0 3 276.336 2.372 20 5 CEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000602586337 347089163 /nfs/dbraw/zinc/08/91/63/347089163.db2.gz QHBHATCYPPTZCC-HNNXBMFYSA-N 0 3 294.351 2.126 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(F)F ZINC000295130721 199362189 /nfs/dbraw/zinc/36/21/89/199362189.db2.gz YAPSPAWBPYHJOE-NWDGAFQWSA-N 0 3 288.294 2.397 20 5 CEBDHN CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCN(C)C1 ZINC000597947237 346255924 /nfs/dbraw/zinc/25/59/24/346255924.db2.gz WJRHRJHMPISIEV-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128442269 187371102 /nfs/dbraw/zinc/37/11/02/187371102.db2.gz FRCICQXVBHXTTQ-VXGBXAGGSA-N 0 3 284.743 2.497 20 5 CEBDHN CCC[C@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000601139979 346766998 /nfs/dbraw/zinc/76/69/98/346766998.db2.gz OMXAUBNQAHECFB-SNVBAGLBSA-N 0 3 258.343 2.297 20 5 CEBDHN O=[N+]([O-])c1ccc2ccnc(N3CC(N4CCCC4)C3)c2c1 ZINC000601194392 346783696 /nfs/dbraw/zinc/78/36/96/346783696.db2.gz ZWWXVYYTUMUNRH-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CC(C3CCOCC3)C2)cc1 ZINC000602651611 347123897 /nfs/dbraw/zinc/12/38/97/347123897.db2.gz JZEQKAPRGLUKOO-UHFFFAOYSA-N 0 3 290.363 2.496 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)CC[C@@H]1C ZINC000602786578 347197924 /nfs/dbraw/zinc/19/79/24/347197924.db2.gz RIYUTSYBJKSKNU-MNOVXSKESA-N 0 3 266.345 2.220 20 5 CEBDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602796764 347202564 /nfs/dbraw/zinc/20/25/64/347202564.db2.gz CSFMGCJSGUOFOZ-IAZYJMLFSA-N 0 3 266.345 2.243 20 5 CEBDHN C[C@H](NC[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802043 347204966 /nfs/dbraw/zinc/20/49/66/347204966.db2.gz OLDDZYCZLJZUAU-GXFFZTMASA-N 0 3 287.323 2.024 20 5 CEBDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813979 347210996 /nfs/dbraw/zinc/21/09/96/347210996.db2.gz AYUUVLXCUWWVKP-VWYCJHECSA-N 0 3 266.345 2.195 20 5 CEBDHN Cc1[nH]ncc1CN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000602940262 347251976 /nfs/dbraw/zinc/25/19/76/347251976.db2.gz DZYNEMLIJXVALR-UHFFFAOYSA-N 0 3 278.287 2.397 20 5 CEBDHN C[C@H]1CCCC[C@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602844052 347221789 /nfs/dbraw/zinc/22/17/89/347221789.db2.gz YKHDKWXBSHPWSW-GWCFXTLKSA-N 0 3 266.345 2.387 20 5 CEBDHN CC[C@@H](NCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982685 179210127 /nfs/dbraw/zinc/21/01/27/179210127.db2.gz HICNWSVICORTIO-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CCCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603872516 347394097 /nfs/dbraw/zinc/39/40/97/347394097.db2.gz VGFJSYJKNSUIJW-UHFFFAOYSA-N 0 3 277.368 2.165 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2C[C@H]3CCC[C@@H]32)c1 ZINC000610585342 347694387 /nfs/dbraw/zinc/69/43/87/347694387.db2.gz LFFZYBJBAOJSFG-RISCZKNCSA-N 0 3 262.309 2.458 20 5 CEBDHN COC[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000610605117 347695553 /nfs/dbraw/zinc/69/55/53/347695553.db2.gz LSMCJPSKQVFGST-GFCCVEGCSA-N 0 3 250.298 2.206 20 5 CEBDHN CC[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000610655625 347698688 /nfs/dbraw/zinc/69/86/88/347698688.db2.gz CRZNCFDCAPGCHB-LBPRGKRZSA-N 0 3 266.345 2.364 20 5 CEBDHN Cc1cnc(N[C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000610283988 347669677 /nfs/dbraw/zinc/66/96/77/347669677.db2.gz MHDUKFNAVGRQCF-LBPRGKRZSA-N 0 3 276.340 2.194 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612135270 347848338 /nfs/dbraw/zinc/84/83/38/347848338.db2.gz YELKZMNGMHDUPR-REJLFOLJSA-N 0 3 276.336 2.359 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086467286 179297393 /nfs/dbraw/zinc/29/73/93/179297393.db2.gz ZHIJXTVRWOMMDA-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H](F)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872612 219233607 /nfs/dbraw/zinc/23/36/07/219233607.db2.gz FCSYHBWEWLHABR-MNOVXSKESA-N 0 3 282.319 2.224 20 5 CEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000619567064 349199873 /nfs/dbraw/zinc/19/98/73/349199873.db2.gz MKMVFPBEOBDDRA-NSHDSACASA-N 0 3 297.380 2.213 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000412087504 233334261 /nfs/dbraw/zinc/33/42/61/233334261.db2.gz OZIPSENTVWDVDX-DGCLKSJQSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@@H](CNCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000105489221 186060344 /nfs/dbraw/zinc/06/03/44/186060344.db2.gz YTQYPBOXPIKYGU-NSHDSACASA-N 0 3 263.341 2.167 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000352186733 219350501 /nfs/dbraw/zinc/35/05/01/219350501.db2.gz NMSQJWQWTQINOE-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN CC(C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291936140 198110605 /nfs/dbraw/zinc/11/06/05/198110605.db2.gz TVXHLJYDMHBMID-CABCVRRESA-N 0 3 294.351 2.128 20 5 CEBDHN C[C@@H]1CC[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072897140 363179843 /nfs/dbraw/zinc/17/98/43/363179843.db2.gz QDXLEHAUJZQPRJ-MNOVXSKESA-N 0 3 291.351 2.314 20 5 CEBDHN CO[C@@H](C)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292235763 198212201 /nfs/dbraw/zinc/21/22/01/198212201.db2.gz WFSYHHVXZSTMFX-JTQLQIEISA-N 0 3 252.314 2.454 20 5 CEBDHN COc1cccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000271654980 191262454 /nfs/dbraw/zinc/26/24/54/191262454.db2.gz JVFOJYFEJBSAJH-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN CN1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153622575 188093607 /nfs/dbraw/zinc/09/36/07/188093607.db2.gz JKDDWZCNSBXTMZ-SECBINFHSA-N 0 3 270.720 2.149 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(C)CC1 ZINC000156014134 188238791 /nfs/dbraw/zinc/23/87/91/188238791.db2.gz KROUOUKFOFPUDS-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN CN1CC[C@@H]2CN(Cc3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000451624736 283055036 /nfs/dbraw/zinc/05/50/36/283055036.db2.gz NYEWQCRFLFAMGL-OTYXRUKQSA-N 0 3 297.305 2.009 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000134238609 366302904 /nfs/dbraw/zinc/30/29/04/366302904.db2.gz FAHCQELEGXULEH-CMPLNLGQSA-N 0 3 250.298 2.170 20 5 CEBDHN CC(C)[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000134549785 366338009 /nfs/dbraw/zinc/33/80/09/366338009.db2.gz RQXIHZJQCBMVQS-CYBMUJFWSA-N 0 3 252.314 2.091 20 5 CEBDHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428821 199036272 /nfs/dbraw/zinc/03/62/72/199036272.db2.gz URMGKHKYQXZCMA-OPRDCNLKSA-N 0 3 267.329 2.251 20 5 CEBDHN C[C@H](CCCO)CNCc1ccccc1[N+](=O)[O-] ZINC000294907387 199242657 /nfs/dbraw/zinc/24/26/57/199242657.db2.gz XUMGAJSMAAOOTG-LLVKDONJSA-N 0 3 252.314 2.093 20 5 CEBDHN C[C@H](CC(C)(C)O)NCc1ccc([N+](=O)[O-])cc1 ZINC000294945975 199264748 /nfs/dbraw/zinc/26/47/48/199264748.db2.gz CQFFAYYVZCXDHV-SNVBAGLBSA-N 0 3 252.314 2.234 20 5 CEBDHN CCNC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000135741764 366473520 /nfs/dbraw/zinc/47/35/20/366473520.db2.gz KHDOQEIUOOUYLI-LLVKDONJSA-N 0 3 279.340 2.080 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCN(CC(F)F)C2)c1 ZINC000418134108 237314380 /nfs/dbraw/zinc/31/43/80/237314380.db2.gz LVTSVADFNOGFNV-LLVKDONJSA-N 0 3 285.294 2.024 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC000453124811 283481020 /nfs/dbraw/zinc/48/10/20/283481020.db2.gz USSHVTLTUPGWNC-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN Cc1nc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525439 366650962 /nfs/dbraw/zinc/65/09/62/366650962.db2.gz ZPJZHQOTVKKRER-GXSJLCMTSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000230151999 291237536 /nfs/dbraw/zinc/23/75/36/291237536.db2.gz RJBWWYGDBYENAO-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000579909416 366719877 /nfs/dbraw/zinc/71/98/77/366719877.db2.gz BCXWLLQVNBCVDH-ZDUSSCGKSA-N 0 3 282.340 2.364 20 5 CEBDHN C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000342364284 216326661 /nfs/dbraw/zinc/32/66/61/216326661.db2.gz VZCFOGAJKQVDCR-GXFFZTMASA-N 0 3 292.339 2.199 20 5 CEBDHN CC[C@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061791 363794904 /nfs/dbraw/zinc/79/49/04/363794904.db2.gz VTZFWMAUNXPMLM-OCCSQVGLSA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1ccc(CN2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588553 364083868 /nfs/dbraw/zinc/08/38/68/364083868.db2.gz ZXWMHWWTATYPKK-ZDUSSCGKSA-N 0 3 291.351 2.133 20 5 CEBDHN CC[C@H](NC[C@@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413642 366875554 /nfs/dbraw/zinc/87/55/54/366875554.db2.gz QQBAGCNSKJZDHD-ZNMIVQPWSA-N 0 3 294.351 2.175 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000340415287 366876557 /nfs/dbraw/zinc/87/65/57/366876557.db2.gz JUGHBUYATVAUPR-FPMFFAJLSA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@@H](Cn1cncn1)NCc1cccc([N+](=O)[O-])c1C ZINC000340508423 366913412 /nfs/dbraw/zinc/91/34/12/366913412.db2.gz UQIBRFBKSZWFON-ZDUSSCGKSA-N 0 3 289.339 2.063 20 5 CEBDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163486051 367244233 /nfs/dbraw/zinc/24/42/33/367244233.db2.gz LLISDLAQLODBQN-RMDKCXRXSA-N 0 3 284.381 2.403 20 5 CEBDHN COCCCN(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166820107 367330148 /nfs/dbraw/zinc/33/01/48/367330148.db2.gz BJACMQTUVUVEAB-ZDUSSCGKSA-N 0 3 295.383 2.214 20 5 CEBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000168630549 367356510 /nfs/dbraw/zinc/35/65/10/367356510.db2.gz TUWQZUOKLUXCMJ-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCC2)c(F)c1 ZINC000341333529 367289461 /nfs/dbraw/zinc/28/94/61/367289461.db2.gz BDYNCHSMTZJGHX-UHFFFAOYSA-N 0 3 268.288 2.129 20 5 CEBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766022 367409634 /nfs/dbraw/zinc/40/96/34/367409634.db2.gz DJBGHKFZVVHHKB-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN COCC[C@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421498 367909101 /nfs/dbraw/zinc/90/91/01/367909101.db2.gz QWXWHQVJFILBSM-RISCZKNCSA-N 0 3 282.340 2.033 20 5 CEBDHN CC[C@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000343624717 367924093 /nfs/dbraw/zinc/92/40/93/367924093.db2.gz HQMPICROZBBEQW-JTQLQIEISA-N 0 3 254.334 2.243 20 5 CEBDHN CC[C@@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000343624718 367924203 /nfs/dbraw/zinc/92/42/03/367924203.db2.gz HQMPICROZBBEQW-SNVBAGLBSA-N 0 3 254.334 2.243 20 5 CEBDHN Cc1nc(N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343588298 367901478 /nfs/dbraw/zinc/90/14/78/367901478.db2.gz FWKZEOIIKIBOPP-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN CC[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174240947 368001056 /nfs/dbraw/zinc/00/10/56/368001056.db2.gz YTUMFWSWHPYKFL-CYBMUJFWSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)(C)[C@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000181477870 368460275 /nfs/dbraw/zinc/46/02/75/368460275.db2.gz UQMNORTXHIIRSK-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN CCN(C)C(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828640 368498488 /nfs/dbraw/zinc/49/84/88/368498488.db2.gz QTLBYIPYOQLWID-LBPRGKRZSA-N 0 3 293.367 2.422 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(O)C(C)C ZINC000183478951 368629796 /nfs/dbraw/zinc/62/97/96/368629796.db2.gz ZJVDMWPZTIFGEV-AWEZNQCLSA-N 0 3 266.341 2.400 20 5 CEBDHN COCCOC[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198710 370948278 /nfs/dbraw/zinc/94/82/78/370948278.db2.gz YVRAPFGZEOJQJG-VXGBXAGGSA-N 0 3 282.340 2.297 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1C)C[C@H](C)O ZINC000348713598 369130563 /nfs/dbraw/zinc/13/05/63/369130563.db2.gz WUFROWVEKHDYBL-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@H](O)C1(C)C ZINC000189328575 369498074 /nfs/dbraw/zinc/49/80/74/369498074.db2.gz PQNGCVLZGWDNRG-QWHCGFSZSA-N 0 3 264.325 2.152 20 5 CEBDHN CCCCN(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407946 369715820 /nfs/dbraw/zinc/71/58/20/369715820.db2.gz WPUPQBQCXKXKDJ-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN Cc1sc(C(=O)N(C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000193010815 369882366 /nfs/dbraw/zinc/88/23/66/369882366.db2.gz ZVNLVQYRBAKUTF-UHFFFAOYSA-N 0 3 297.380 2.131 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCCO)c1 ZINC000193277951 369916169 /nfs/dbraw/zinc/91/61/69/369916169.db2.gz OPKYLVUZKCILHR-UHFFFAOYSA-N 0 3 258.705 2.110 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150127 370041065 /nfs/dbraw/zinc/04/10/65/370041065.db2.gz IPIIDBINYFEXQZ-DZGCQCFKSA-N 0 3 294.351 2.187 20 5 CEBDHN CCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000353154843 370043101 /nfs/dbraw/zinc/04/31/01/370043101.db2.gz PAWQMGFMASURBD-CABCVRRESA-N 0 3 294.351 2.187 20 5 CEBDHN CC(C)[C@H]1CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023149 369986836 /nfs/dbraw/zinc/98/68/36/369986836.db2.gz GXDVIDJUVPTOJS-QWHCGFSZSA-N 0 3 294.351 2.065 20 5 CEBDHN CN1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225588080 370305518 /nfs/dbraw/zinc/30/55/18/370305518.db2.gz OMWJBKFAYJTZNM-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000354441175 370364869 /nfs/dbraw/zinc/36/48/69/370364869.db2.gz WQCYXRGQHMOBFR-QWRGUYRKSA-N 0 3 295.339 2.133 20 5 CEBDHN C[C@@H](O)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228031103 370393066 /nfs/dbraw/zinc/39/30/66/370393066.db2.gz SMDOBAWHUZSKBG-GHMZBOCLSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1c(CN2CC[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000229574036 370427863 /nfs/dbraw/zinc/42/78/63/370427863.db2.gz NEHFVPVXXSDCMD-HZMBPMFUSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](C[C@H](C)O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228088962 370396323 /nfs/dbraw/zinc/39/63/23/370396323.db2.gz MOFUKNHLBDQGBQ-VWYCJHECSA-N 0 3 252.314 2.405 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000236718974 370613303 /nfs/dbraw/zinc/61/33/03/370613303.db2.gz PFTFXASFRBHCQV-AAEUAGOBSA-N 0 3 293.367 2.454 20 5 CEBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358785874 371219639 /nfs/dbraw/zinc/21/96/39/371219639.db2.gz ALJDKBOQLUAORI-SNVBAGLBSA-N 0 3 276.296 2.048 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)cs1 ZINC000249453039 371323316 /nfs/dbraw/zinc/32/33/16/371323316.db2.gz CQVDRMCBSPPOBN-HBNTYKKESA-N 0 3 268.338 2.313 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H]1C ZINC000262765884 371905876 /nfs/dbraw/zinc/90/58/76/371905876.db2.gz JEPYLBOKCINVPG-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361597567 371965071 /nfs/dbraw/zinc/96/50/71/371965071.db2.gz ZGOHIDQFBQAEQW-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H]1C[C@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000344138166 217069185 /nfs/dbraw/zinc/06/91/85/217069185.db2.gz XEXVTZINBDWBQT-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H]1C[C@H](CO)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174520 217084956 /nfs/dbraw/zinc/08/49/56/217084956.db2.gz QQRBKHIALACVOM-GXTWGEPZSA-N 0 3 278.352 2.230 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](C)OC ZINC000268945934 372297883 /nfs/dbraw/zinc/29/78/83/372297883.db2.gz WPOLGPUMUHIQJF-ZJUUUORDSA-N 0 3 268.313 2.116 20 5 CEBDHN C[C@@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327133 217151198 /nfs/dbraw/zinc/15/11/98/217151198.db2.gz JIEGHMWVPWCXHK-YGRLFVJLSA-N 0 3 281.331 2.306 20 5 CEBDHN COCCN1CC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000269956847 372613181 /nfs/dbraw/zinc/61/31/81/372613181.db2.gz TXNLSWQPXDILBS-GFCCVEGCSA-N 0 3 279.340 2.036 20 5 CEBDHN CC(C)(C)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335372 372730246 /nfs/dbraw/zinc/73/02/46/372730246.db2.gz ILTGTKGYBXYARW-NSHDSACASA-N 0 3 266.345 2.474 20 5 CEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1N(C)C ZINC000270300109 372734425 /nfs/dbraw/zinc/73/44/25/372734425.db2.gz AMHFWVULPKBFRU-QWHCGFSZSA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@H](NC[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513981 220129104 /nfs/dbraw/zinc/12/91/04/220129104.db2.gz SVQNJZSASNGIKU-GWCFXTLKSA-N 0 3 264.325 2.264 20 5 CEBDHN COc1cccc(CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000344967487 217371018 /nfs/dbraw/zinc/37/10/18/217371018.db2.gz KWXVTRRTINUWOY-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN COc1cccc(N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000372189097 374065824 /nfs/dbraw/zinc/06/58/24/374065824.db2.gz VSUXYUPOXCXAEQ-YPMHNXCESA-N 0 3 291.351 2.134 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000374389312 374561253 /nfs/dbraw/zinc/56/12/53/374561253.db2.gz FRKLGEQGELRKND-ZIAGYGMSSA-N 0 3 276.336 2.453 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631160 374585532 /nfs/dbraw/zinc/58/55/32/374585532.db2.gz YYZUNGBFPKIWTC-KOLCDFICSA-N 0 3 291.307 2.251 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000277631598 374586545 /nfs/dbraw/zinc/58/65/45/374586545.db2.gz CFQRYXJLLXVMPV-SCZZXKLOSA-N 0 3 256.327 2.171 20 5 CEBDHN CCOCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282557667 375517855 /nfs/dbraw/zinc/51/78/55/375517855.db2.gz XYVSRPONFGAEKZ-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(CO)o1 ZINC000282929254 375617014 /nfs/dbraw/zinc/61/70/14/375617014.db2.gz FQKRHTQJTNLDAV-UHFFFAOYSA-N 0 3 290.319 2.355 20 5 CEBDHN CC1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000283677568 375743347 /nfs/dbraw/zinc/74/33/47/375743347.db2.gz XHWZXRYLJKPVBM-UHFFFAOYSA-N 0 3 278.356 2.321 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NCC2(N(C)C)CC2)n1 ZINC000419003967 376377170 /nfs/dbraw/zinc/37/71/70/376377170.db2.gz DSCQWWRSYCGXHB-UHFFFAOYSA-N 0 3 264.329 2.113 20 5 CEBDHN CCN1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263885947 190083747 /nfs/dbraw/zinc/08/37/47/190083747.db2.gz DDUVVNGTPWVSHF-UHFFFAOYSA-N 0 3 293.367 2.001 20 5 CEBDHN C[C@H](CO)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000312003484 376698238 /nfs/dbraw/zinc/69/82/38/376698238.db2.gz QPVMQBRRQKUKAD-JTQLQIEISA-N 0 3 270.304 2.232 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCCCC1 ZINC000313821189 376756336 /nfs/dbraw/zinc/75/63/36/376756336.db2.gz KSZOAFMBGCQLMO-UHFFFAOYSA-N 0 3 295.387 2.408 20 5 CEBDHN C[C@H](C[C@@H]1COCCN1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019220 376936867 /nfs/dbraw/zinc/93/68/67/376936867.db2.gz UTCWBKZOZLFFBF-JHJVBQTASA-N 0 3 293.367 2.012 20 5 CEBDHN COc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330577028 377192648 /nfs/dbraw/zinc/19/26/48/377192648.db2.gz GTLZHNPTJLZGNY-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000423278448 377204677 /nfs/dbraw/zinc/20/46/77/377204677.db2.gz PZJDPWXVOSHVJG-HZMBPMFUSA-N 0 3 291.351 2.208 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](O)C12CCCC2 ZINC000292883349 377331353 /nfs/dbraw/zinc/33/13/53/377331353.db2.gz YECHLFYHJNFNAH-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551293 377372417 /nfs/dbraw/zinc/37/24/17/377372417.db2.gz QJKHPTWHSPIMEG-GHMZBOCLSA-N 0 3 287.323 2.263 20 5 CEBDHN COc1ccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293276537 377501915 /nfs/dbraw/zinc/50/19/15/377501915.db2.gz CHTXSNXDUZTXSK-TXEJJXNPSA-N 0 3 293.367 2.128 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000332225578 377545592 /nfs/dbraw/zinc/54/55/92/377545592.db2.gz KKEFVGBBXUSXLP-GZBFAFLISA-N 0 3 276.336 2.188 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332238395 377548032 /nfs/dbraw/zinc/54/80/32/377548032.db2.gz OMGBTPVEUSRKLH-YUTCNCBUSA-N 0 3 276.336 2.188 20 5 CEBDHN NC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000565416265 377656572 /nfs/dbraw/zinc/65/65/72/377656572.db2.gz DHRISLBQXBZGOR-UHFFFAOYSA-N 0 3 289.335 2.146 20 5 CEBDHN Cc1nc(NC[C@@H]2N(C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447813177 378141480 /nfs/dbraw/zinc/14/14/80/378141480.db2.gz UZRHJAYOGWSRCP-ZDUSSCGKSA-N 0 3 292.383 2.252 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](CCCO)C1 ZINC000449790656 378232985 /nfs/dbraw/zinc/23/29/85/378232985.db2.gz LTJWEWGXPWEXFI-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN CC[C@H](N[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000295987752 378382849 /nfs/dbraw/zinc/38/28/49/378382849.db2.gz PGOJRBYVJFWTHE-UHTWSYAYSA-N 0 3 250.298 2.159 20 5 CEBDHN CS[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465514 378541732 /nfs/dbraw/zinc/54/17/32/378541732.db2.gz XNCYCHAVUCCUOC-CHWSQXEVSA-N 0 3 282.365 2.066 20 5 CEBDHN Cc1c(CN2CCC[C@H](O)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000296444403 378534125 /nfs/dbraw/zinc/53/41/25/378534125.db2.gz WRGDQISWEOTJTF-FZMZJTMJSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@H]1CSC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296681464 378616277 /nfs/dbraw/zinc/61/62/77/378616277.db2.gz GXFQSEGHHUYOTJ-QPUJVOFHSA-N 0 3 292.364 2.312 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454142645 378943652 /nfs/dbraw/zinc/94/36/52/378943652.db2.gz SDWRUZCOUUPWAC-UHFFFAOYSA-N 0 3 280.328 2.057 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](O)C2(CC2)C1 ZINC000347371268 218210112 /nfs/dbraw/zinc/21/01/12/218210112.db2.gz JQNYWFGQYZQJMR-WASHYIJTSA-N 0 3 288.347 2.455 20 5 CEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCO)s1 ZINC000304241731 379534027 /nfs/dbraw/zinc/53/40/27/379534027.db2.gz SMTQKYDPHJKGDF-UHFFFAOYSA-N 0 3 278.333 2.405 20 5 CEBDHN CC(C)COC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854249 190284473 /nfs/dbraw/zinc/28/44/73/190284473.db2.gz JKGXRZHQTGQQPD-STQMWFEESA-N 0 3 296.367 2.279 20 5 CEBDHN COc1ccc(CN[C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000289442845 197348763 /nfs/dbraw/zinc/34/87/63/197348763.db2.gz FFRAQPZLLWHKHF-ZDUSSCGKSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000334035185 380218410 /nfs/dbraw/zinc/21/84/10/380218410.db2.gz WELHRJUVBLRJLU-NEPJUHHUSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334042575 380221456 /nfs/dbraw/zinc/22/14/56/380221456.db2.gz SXTZBGWZPFWVCD-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000547363440 380434619 /nfs/dbraw/zinc/43/46/19/380434619.db2.gz QEMRXQWBFOPDQS-OCCSQVGLSA-N 0 3 278.352 2.496 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000552137677 380688115 /nfs/dbraw/zinc/68/81/15/380688115.db2.gz DYABDYZKICMWCH-ZDUSSCGKSA-N 0 3 293.367 2.129 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(C)(C)C ZINC000289347353 197306267 /nfs/dbraw/zinc/30/62/67/197306267.db2.gz FTEZYHIYIDUXHP-CQSZACIVSA-N 0 3 280.368 2.476 20 5 CEBDHN COCC[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000341562376 285166797 /nfs/dbraw/zinc/16/67/97/285166797.db2.gz HZBUGMOKEAANCY-CYBMUJFWSA-N 0 3 296.367 2.205 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000413158071 394495320 /nfs/dbraw/zinc/49/53/20/394495320.db2.gz VHDZZOUMOARSDI-WDEREUQCSA-N 0 3 296.346 2.438 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000423479197 394929354 /nfs/dbraw/zinc/92/93/54/394929354.db2.gz LYUVGXKSESKTSK-ZWNOBZJWSA-N 0 3 299.321 2.113 20 5 CEBDHN CCN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286022695 395001995 /nfs/dbraw/zinc/00/19/95/395001995.db2.gz FXMBRFHBIHVUNL-UHFFFAOYSA-N 0 3 264.329 2.073 20 5 CEBDHN CC(C)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423854844 395003967 /nfs/dbraw/zinc/00/39/67/395003967.db2.gz WAVASSRHAHCDKO-LBPRGKRZSA-N 0 3 299.758 2.238 20 5 CEBDHN Cc1cnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286322457 395019837 /nfs/dbraw/zinc/01/98/37/395019837.db2.gz KYUBIYNTGRGUHD-STQMWFEESA-N 0 3 290.367 2.361 20 5 CEBDHN COc1cc(CN[C@@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471583 395114861 /nfs/dbraw/zinc/11/48/61/395114861.db2.gz HPFVREFKHFPRJW-DOMZBBRYSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c(F)c1 ZINC000438908356 395235953 /nfs/dbraw/zinc/23/59/53/395235953.db2.gz UTUYZXNQMKOZBQ-IACUBPJLSA-N 0 3 280.299 2.391 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(CCO)C2CCSCC2)c1 ZINC000438991421 395242429 /nfs/dbraw/zinc/24/24/29/395242429.db2.gz CLFKZELNWJJOAS-UHFFFAOYSA-N 0 3 296.392 2.285 20 5 CEBDHN CN1CC[C@@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292230995 395189840 /nfs/dbraw/zinc/18/98/40/395189840.db2.gz IUEVYKFALMDESZ-CYBMUJFWSA-N 0 3 296.758 2.175 20 5 CEBDHN CCNCc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000434662607 395317943 /nfs/dbraw/zinc/31/79/43/395317943.db2.gz MPKLQQFIYIZDCJ-UHFFFAOYSA-N 0 3 252.299 2.156 20 5 CEBDHN COc1cc(N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420641636 395399035 /nfs/dbraw/zinc/39/90/35/395399035.db2.gz UUENZHMHOAQRLK-LBPRGKRZSA-N 0 3 279.340 2.134 20 5 CEBDHN COc1cc(N(C)C[C@@H]2CCCN2C)c(F)cc1[N+](=O)[O-] ZINC000420642662 395399981 /nfs/dbraw/zinc/39/99/81/395399981.db2.gz WKKUHEXBVJMILX-JTQLQIEISA-N 0 3 297.330 2.273 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H](CO)C1 ZINC000190856236 395343001 /nfs/dbraw/zinc/34/30/01/395343001.db2.gz WHRBPZIUFGEMKD-MDZLAQPJSA-N 0 3 264.325 2.216 20 5 CEBDHN CN(C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450208733 395566717 /nfs/dbraw/zinc/56/67/17/395566717.db2.gz PKOSFTQQOOAHEO-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN CO[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830904 153352076 /nfs/dbraw/zinc/35/20/76/153352076.db2.gz BKKKKRGXGZATOD-STQMWFEESA-N 0 3 264.325 2.498 20 5 CEBDHN C[C@]1(O)CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000230376168 153396308 /nfs/dbraw/zinc/39/63/08/153396308.db2.gz YXBIMEDKWQTIAE-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN CC(C)[C@@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000368681811 156386399 /nfs/dbraw/zinc/38/63/99/156386399.db2.gz BFBFPCCVYUAKJH-HNNXBMFYSA-N 0 3 278.352 2.435 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@@]3(CCOC3)C2)cs1 ZINC000371401427 156657157 /nfs/dbraw/zinc/65/71/57/156657157.db2.gz OUGQBLVLGHTPCZ-YPMHNXCESA-N 0 3 298.364 2.084 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CCO)CC2)c1 ZINC000552717266 298481380 /nfs/dbraw/zinc/48/13/80/298481380.db2.gz CRZOYZQFAVUCKB-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN CC(C)(O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419277 298776083 /nfs/dbraw/zinc/77/60/83/298776083.db2.gz SVSJQLSEHFCGJK-GFCCVEGCSA-N 0 3 264.325 2.333 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCCOC[C@@H]2CCCO2)c1 ZINC000020146878 171033226 /nfs/dbraw/zinc/03/32/26/171033226.db2.gz ZOBJFSPNUQAMAP-HNNXBMFYSA-N 0 3 294.351 2.270 20 5 CEBDHN CC[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196071 171061480 /nfs/dbraw/zinc/06/14/80/171061480.db2.gz OWSRVUJAROWMOW-PWSUYJOCSA-N 0 3 252.314 2.325 20 5 CEBDHN CN(C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343361 172135106 /nfs/dbraw/zinc/13/51/06/172135106.db2.gz SWAIWKKSUNGVJX-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCC[C@H]1O ZINC000077204995 177232905 /nfs/dbraw/zinc/23/29/05/177232905.db2.gz ZNDVQSLWEKYCDU-GXTWGEPZSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CO)[C@@H]1C ZINC000425969685 264249165 /nfs/dbraw/zinc/24/91/65/264249165.db2.gz XEVBIEAPTITTRG-WCQYABFASA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1ccc(CN2CC[C@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425977201 264249243 /nfs/dbraw/zinc/24/92/43/264249243.db2.gz JSYUFSLAXRQHFF-DGCLKSJQSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@@H](O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162229 270332712 /nfs/dbraw/zinc/33/27/12/270332712.db2.gz FZGRUZYYAUQXEI-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H](CCO)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000397778360 270354687 /nfs/dbraw/zinc/35/46/87/270354687.db2.gz UPOYNAUQCWFMIC-SNVBAGLBSA-N 0 3 270.304 2.232 20 5 CEBDHN CN(C)C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000397799639 270355148 /nfs/dbraw/zinc/35/51/48/270355148.db2.gz LBCLDAMDJIAGPW-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CCN1CCCC1 ZINC000430234589 271365743 /nfs/dbraw/zinc/36/57/43/271365743.db2.gz AWWYUPMHFJNSDL-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN CNC(=O)[C@@]1(C)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205545 277011083 /nfs/dbraw/zinc/01/10/83/277011083.db2.gz SDWWDMXCOSANPE-ABAIWWIYSA-N 0 3 291.351 2.114 20 5 CEBDHN CS[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271603874 277530068 /nfs/dbraw/zinc/53/00/68/277530068.db2.gz ITPGXBWQNOGDEF-RYUDHWBXSA-N 0 3 299.371 2.216 20 5 CEBDHN CC(C)c1ccc(CN2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157151328 278036443 /nfs/dbraw/zinc/03/64/43/278036443.db2.gz MSPRAVUZIXWJGL-LBPRGKRZSA-N 0 3 291.351 2.025 20 5 CEBDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154339342 278159473 /nfs/dbraw/zinc/15/94/73/278159473.db2.gz OHAWVBNLFIYANM-GIPNMCIBSA-N 0 3 284.381 2.358 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262848341 278512924 /nfs/dbraw/zinc/51/29/24/278512924.db2.gz YYKYOXHTFSLKBQ-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000038088236 279348226 /nfs/dbraw/zinc/34/82/26/279348226.db2.gz FYPCTTMXPZPWAJ-MNOVXSKESA-N 0 3 251.330 2.196 20 5 CEBDHN CCc1ncc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000414356227 280714979 /nfs/dbraw/zinc/71/49/79/280714979.db2.gz DILCCCQEHUKMLI-UHFFFAOYSA-N 0 3 286.335 2.280 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000423479196 281053472 /nfs/dbraw/zinc/05/34/72/281053472.db2.gz LYUVGXKSESKTSK-MFKMUULPSA-N 0 3 299.321 2.113 20 5 CEBDHN C[C@H](O)[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000272650208 290168225 /nfs/dbraw/zinc/16/82/25/290168225.db2.gz ZCAOFGMDUCKLBN-SRVKXCTJSA-N 0 3 264.325 2.359 20 5 CEBDHN CN(C)CC(C)(C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000459555009 290177896 /nfs/dbraw/zinc/17/78/96/290177896.db2.gz FBSAMHVBRAZBJG-UHFFFAOYSA-N 0 3 287.310 2.303 20 5 CEBDHN CCC[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CCC1 ZINC000459793407 290242232 /nfs/dbraw/zinc/24/22/32/290242232.db2.gz JZUBOMRUVFUDRD-LLVKDONJSA-N 0 3 266.345 2.387 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)c1 ZINC000524690543 297676211 /nfs/dbraw/zinc/67/62/11/297676211.db2.gz ZEFPQSIHSPVEDK-LBPRGKRZSA-N 0 3 291.351 2.278 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538268370 298226364 /nfs/dbraw/zinc/22/63/64/298226364.db2.gz HAGXLYXSHGDCKQ-LLVKDONJSA-N 0 3 293.367 2.326 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](O)CC23CCC3)cc1 ZINC000576574801 314288960 /nfs/dbraw/zinc/28/89/60/314288960.db2.gz NBQZBYROEGEVIS-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1C[C@@H](O)C1)CCCC2 ZINC000583920962 326797514 /nfs/dbraw/zinc/79/75/14/326797514.db2.gz YOFBSAPUGOSLPJ-LNSITVRQSA-N 0 3 276.336 2.475 20 5 CEBDHN CC(=O)c1ccc(N2CCC[C@@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000061644756 518345850 /nfs/dbraw/zinc/34/58/50/518345850.db2.gz BEIGJNPSDKTOKQ-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN CCOC1CC(O)(CN[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278533512 521652527 /nfs/dbraw/zinc/65/25/27/521652527.db2.gz UJAQGFWDIXBKTN-VCANKDNSSA-N 0 3 294.351 2.175 20 5 CEBDHN CC[C@@H](NCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000061375778 522833460 /nfs/dbraw/zinc/83/34/60/522833460.db2.gz CLPQAKDMQONISU-OAHLLOKOSA-N 0 3 295.383 2.214 20 5 CEBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000152341968 524091307 /nfs/dbraw/zinc/09/13/07/524091307.db2.gz XALBOPNYEFTNIQ-OLZOCXBDSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650009 524814121 /nfs/dbraw/zinc/81/41/21/524814121.db2.gz JSBDAIVAYOVGRJ-UWVGGRQHSA-N 0 3 290.323 2.128 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310377 525743923 /nfs/dbraw/zinc/74/39/23/525743923.db2.gz FQIDZTPKKKVUQU-BFKGZMGPSA-N 0 3 284.381 2.321 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCCCC[C@@H]32)c1 ZINC000366094446 527414542 /nfs/dbraw/zinc/41/45/42/527414542.db2.gz JKNMIOLBPQWOTD-YPMHNXCESA-N 0 3 264.329 2.056 20 5 CEBDHN C[C@H](N[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048143 575147356 /nfs/dbraw/zinc/14/73/56/575147356.db2.gz WOJGZJRYJJAEBJ-ZANVPECISA-N 0 3 250.298 2.016 20 5 CEBDHN C[C@H](N[C@@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047936 575147385 /nfs/dbraw/zinc/14/73/85/575147385.db2.gz UHUFRZDVGDFWCP-CABZTGNLSA-N 0 3 250.298 2.016 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1ccccc1)[N+](=O)[O-] ZINC000813103162 623019276 /nfs/dbraw/zinc/01/92/76/623019276.db2.gz YNAYRRZATPISSP-WDEREUQCSA-N 0 3 251.282 2.074 20 5 CEBDHN CCOc1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103364 623020266 /nfs/dbraw/zinc/02/02/66/623020266.db2.gz PHQLTCWHMLEPLP-NSHDSACASA-N 0 3 281.308 2.226 20 5 CEBDHN COc1cccc([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104506 623021610 /nfs/dbraw/zinc/02/16/10/623021610.db2.gz DHJWKEOJIJTFMC-VHSXEESVSA-N 0 3 267.281 2.007 20 5 CEBDHN COc1cccc([C@H](C)CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107086 623026328 /nfs/dbraw/zinc/02/63/28/623026328.db2.gz JKTJRYLHZPIZHN-MNOVXSKESA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)c1cc2c(s1)CCCC2)[N+](=O)[O-] ZINC000813108186 623040505 /nfs/dbraw/zinc/04/05/05/623040505.db2.gz CAOUKNPSOYEFBP-MRVPVSSYSA-N 0 3 269.322 2.449 20 5 CEBDHN CC(COC(=O)c1ccccc1OC(F)F)[N+](=O)[O-] ZINC000813111936 623051247 /nfs/dbraw/zinc/05/12/47/623051247.db2.gz LSSGJPLCEJZHFG-ZETCQYMHSA-N 0 3 275.207 2.110 20 5 CEBDHN CC(C)C[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000227442436 624239615 /nfs/dbraw/zinc/23/96/15/624239615.db2.gz KNIOMPFKGXVRFT-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CCCSC)c1[N+](=O)[O-] ZINC000893010458 627942301 /nfs/dbraw/zinc/94/23/01/627942301.db2.gz XTLQRGPLARSKQS-UHFFFAOYSA-N 0 3 286.353 2.152 20 5 CEBDHN CC[C@](C)(CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894711456 629605370 /nfs/dbraw/zinc/60/53/70/629605370.db2.gz JVNGPRCOZYUUOY-CQSZACIVSA-N 0 3 298.339 2.214 20 5 CEBDHN COCC[C@@H](C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894895589 629732604 /nfs/dbraw/zinc/73/26/04/629732604.db2.gz QSXGTYAKQFAQES-SNVBAGLBSA-N 0 3 298.339 2.071 20 5 CEBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000895192688 630024244 /nfs/dbraw/zinc/02/42/44/630024244.db2.gz KPBYAJAJGCWKPZ-WDEREUQCSA-N 0 3 296.758 2.316 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNCC3CSC3)nc2c1 ZINC000895423163 630186037 /nfs/dbraw/zinc/18/60/37/630186037.db2.gz AYIDSGWIWZNNCP-UHFFFAOYSA-N 0 3 279.321 2.189 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC2CC=CC2)c1[N+](=O)[O-] ZINC000895564556 630251961 /nfs/dbraw/zinc/25/19/61/630251961.db2.gz KXMGVYAEJVMEJU-UHFFFAOYSA-N 0 3 278.308 2.365 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000925306120 631762632 /nfs/dbraw/zinc/76/26/32/631762632.db2.gz GPZDOQKTECRVQX-ZYHUDNBSSA-N 0 3 292.339 2.117 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCO[C@H]1CCOC1 ZINC000927084447 632452954 /nfs/dbraw/zinc/45/29/54/632452954.db2.gz MJVXYGVVWRZITC-JSGCOSHPSA-N 0 3 294.351 2.359 20 5 CEBDHN CC(COC(=O)CCCc1ccsc1)[N+](=O)[O-] ZINC000813099946 632621044 /nfs/dbraw/zinc/62/10/44/632621044.db2.gz IBBHPZXWLLXKKH-SECBINFHSA-N 0 3 257.311 2.279 20 5 CEBDHN CCO[C@@H](C)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101610 632621241 /nfs/dbraw/zinc/62/12/41/632621241.db2.gz FGZMHYMMAKZBAH-YUMQZZPRSA-N 0 3 288.325 2.063 20 5 CEBDHN COc1ccc([C@H](C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101931 632622137 /nfs/dbraw/zinc/62/21/37/632622137.db2.gz LNQTUIRWFYQVMT-GHMZBOCLSA-N 0 3 281.308 2.397 20 5 CEBDHN Cc1cccc(Cl)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104973 632622647 /nfs/dbraw/zinc/62/26/47/632622647.db2.gz ILXAZKXXVSANBB-SECBINFHSA-N 0 3 271.700 2.399 20 5 CEBDHN CC(COC(=O)COc1cccc2ccccc21)[N+](=O)[O-] ZINC000813106086 632623434 /nfs/dbraw/zinc/62/34/34/632623434.db2.gz YCOANURPRRJMPE-NSHDSACASA-N 0 3 289.287 2.427 20 5 CEBDHN CC(COC(=O)c1cccc(Br)c1)[N+](=O)[O-] ZINC000813105692 632623882 /nfs/dbraw/zinc/62/38/82/632623882.db2.gz RWFSDHWPPIXGLZ-SSDOTTSWSA-N 0 3 288.097 2.271 20 5 CEBDHN CC(C)c1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813105424 632623907 /nfs/dbraw/zinc/62/39/07/632623907.db2.gz MCQUPRJFUBYRMJ-SECBINFHSA-N 0 3 252.270 2.027 20 5 CEBDHN COc1ccccc1[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106752 632624430 /nfs/dbraw/zinc/62/44/30/632624430.db2.gz HJUMIAWGLLHDPU-QWRGUYRKSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)CC(C)(C)C(F)(F)F)[N+](=O)[O-] ZINC000813106806 632624640 /nfs/dbraw/zinc/62/46/40/632624640.db2.gz ICULLMFJPVTSGO-LURJTMIESA-N 0 3 257.208 2.173 20 5 CEBDHN CCOc1c(F)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106658 632624663 /nfs/dbraw/zinc/62/46/63/632624663.db2.gz FPTUMMXDJHDQJH-QMMMGPOBSA-N 0 3 271.244 2.046 20 5 CEBDHN CC(COC(=O)c1ncoc1-c1ccccc1)[N+](=O)[O-] ZINC000813109741 632626496 /nfs/dbraw/zinc/62/64/96/632626496.db2.gz VWVWARFRRGLYGY-SECBINFHSA-N 0 3 276.248 2.164 20 5 CEBDHN COc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109346 632626696 /nfs/dbraw/zinc/62/66/96/632626696.db2.gz IUSIYPHRWNRJGZ-SNVBAGLBSA-N 0 3 281.308 2.181 20 5 CEBDHN CC(COC(=O)CCc1cnc2ccccc2c1)[N+](=O)[O-] ZINC000813115128 632629549 /nfs/dbraw/zinc/62/95/49/632629549.db2.gz KWUQPXACEIWNCN-NSHDSACASA-N 0 3 288.303 2.376 20 5 CEBDHN Cc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114734 632629661 /nfs/dbraw/zinc/62/96/61/632629661.db2.gz VZHOTCCXCCTUDE-NEPJUHHUSA-N 0 3 265.309 2.382 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H](O)C1CC1 ZINC000903411736 635104943 /nfs/dbraw/zinc/10/49/43/635104943.db2.gz QTWSRDIFBAJPDW-QMTHXVAHSA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])CCNCCc1cc(Cl)cc(Cl)c1 ZINC000905065168 635809554 /nfs/dbraw/zinc/80/95/54/635809554.db2.gz NHBXIGFUDXMEAQ-UHFFFAOYSA-N 0 3 263.124 2.402 20 5 CEBDHN CCN(CCSC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830999641 637214036 /nfs/dbraw/zinc/21/40/36/637214036.db2.gz QOQUFZTZGHWFRF-ZDUSSCGKSA-N 0 3 284.381 2.313 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(CCO)C1CC1 ZINC000876579622 650343350 /nfs/dbraw/zinc/34/33/50/650343350.db2.gz IWDHCGJOVKHZKK-UHFFFAOYSA-N 0 3 264.325 2.168 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c2c1CCC2 ZINC000835453881 638262440 /nfs/dbraw/zinc/26/24/40/638262440.db2.gz HRPFZTWSTBDFAQ-JTQLQIEISA-N 0 3 263.293 2.306 20 5 CEBDHN CCN(CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876526707 639235842 /nfs/dbraw/zinc/23/58/42/639235842.db2.gz BZSUUBJPPMMDMT-UHFFFAOYSA-N 0 3 252.314 2.026 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226129958 639525233 /nfs/dbraw/zinc/52/52/33/639525233.db2.gz RCRCHQRBBSJHOF-SNVBAGLBSA-N 0 3 297.742 2.072 20 5 CEBDHN CC(COC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000842362832 640029495 /nfs/dbraw/zinc/02/94/95/640029495.db2.gz ABXRZGOIKNWRBQ-IACUBPJLSA-N 0 3 293.319 2.015 20 5 CEBDHN CC(=O)CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881993 641118149 /nfs/dbraw/zinc/11/81/49/641118149.db2.gz NFAPNWCDLGWRLZ-YGRLFVJLSA-N 0 3 297.282 2.444 20 5 CEBDHN CN(CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000071939088 641842355 /nfs/dbraw/zinc/84/23/55/641842355.db2.gz LUBZSJJLTAPPBW-UHFFFAOYSA-N 0 3 260.297 2.244 20 5 CEBDHN COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000851035771 642888625 /nfs/dbraw/zinc/88/86/25/642888625.db2.gz APBLZPLKJYRIHZ-MRVPVSSYSA-N 0 3 287.699 2.100 20 5 CEBDHN Cc1c(CNC[C@H](O)c2ccccn2)cccc1[N+](=O)[O-] ZINC000853105392 643659203 /nfs/dbraw/zinc/65/92/03/643659203.db2.gz QWDSANVWXOTJGC-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CC(C)(C)O2)[N+](=O)[O-] ZINC000842801754 643847106 /nfs/dbraw/zinc/84/71/06/643847106.db2.gz KWMLOPDEVLJXLE-VIFPVBQESA-N 0 3 279.292 2.222 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)C1CC1 ZINC000809752322 645199885 /nfs/dbraw/zinc/19/98/85/645199885.db2.gz QKSDPLOWAJWTMJ-ZDUSSCGKSA-N 0 3 284.743 2.451 20 5 CEBDHN Cc1cc(C(F)F)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777836 645902492 /nfs/dbraw/zinc/90/24/92/645902492.db2.gz XCVXWPDXWQMIFY-LURJTMIESA-N 0 3 263.196 2.348 20 5 CEBDHN CC(COC(=O)/C=C/CCc1ccccc1)[N+](=O)[O-] ZINC000870378441 648790463 /nfs/dbraw/zinc/79/04/63/648790463.db2.gz WVWIIJBNRZVDGS-GCZGVDRJSA-N 0 3 263.293 2.384 20 5 CEBDHN CC[C@@H](CCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000123854694 649207791 /nfs/dbraw/zinc/20/77/91/649207791.db2.gz RGICJHYTXXIKAA-JTQLQIEISA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077904 649265259 /nfs/dbraw/zinc/26/52/59/649265259.db2.gz NKIRVMNGJCKHFL-LPEHRKFASA-N 0 3 295.314 2.039 20 5 CEBDHN CC(C)(CO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124304690 649506229 /nfs/dbraw/zinc/50/62/29/649506229.db2.gz MSHYDLOIZLBWEI-UHFFFAOYSA-N 0 3 272.732 2.356 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808971 651889608 /nfs/dbraw/zinc/88/96/08/651889608.db2.gz KPPDEGBLKOMKDY-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN COCC1(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000697506500 806498149 /nfs/dbraw/zinc/49/81/49/806498149.db2.gz AVEBWQYSCWUCQA-UHFFFAOYSA-N 0 3 250.298 2.172 20 5 CEBDHN CN1CCC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225383185 804872984 /nfs/dbraw/zinc/87/29/84/804872984.db2.gz WCOAYCSIMOXKJL-JTQLQIEISA-N 0 3 254.261 2.207 20 5 CEBDHN Cc1cc(C(=O)NC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC001120727133 815264228 /nfs/dbraw/zinc/26/42/28/815264228.db2.gz QXOLMAXPPMUANP-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cc2c(cn1)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169039114 811348753 /nfs/dbraw/zinc/34/87/53/811348753.db2.gz NENJDOOQXJHDGR-FZMZJTMJSA-N 0 3 261.325 2.151 20 5 CEBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)n1 ZINC001169231488 811446144 /nfs/dbraw/zinc/44/61/44/811446144.db2.gz KKFNMTRZRILVFB-QMMMGPOBSA-N 0 3 271.280 2.282 20 5 CEBDHN CC(C)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123223747 815489548 /nfs/dbraw/zinc/48/95/48/815489548.db2.gz IVCBMAFHMJWEIC-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN Cc1cc(NC(=O)NC[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC001123454155 815519608 /nfs/dbraw/zinc/51/96/08/815519608.db2.gz VUQYYPVLYPZIIU-LBPRGKRZSA-N 0 3 292.339 2.119 20 5 CEBDHN CCSCCNCc1cc([N+](=O)[O-])ccc1OC ZINC000273835547 192327365 /nfs/dbraw/zinc/32/73/65/192327365.db2.gz YWTMJWRLWAZGTE-UHFFFAOYSA-N 0 3 270.354 2.446 20 5 CEBDHN Cc1ccc(CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000034994539 361802559 /nfs/dbraw/zinc/80/25/59/361802559.db2.gz IHHQYSCTPXONJR-LBPRGKRZSA-N 0 3 250.298 2.172 20 5 CEBDHN CC[C@@H](N[C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977017 361877042 /nfs/dbraw/zinc/87/70/42/361877042.db2.gz OZNVGSLOEDOTOY-ZIAGYGMSSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@@H](NC(=O)C1(N)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766591 361933193 /nfs/dbraw/zinc/93/31/93/361933193.db2.gz PCBZHLCJZBBESR-SNVBAGLBSA-N 0 3 277.324 2.044 20 5 CEBDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037782868 361936758 /nfs/dbraw/zinc/93/67/58/361936758.db2.gz YMMHDRFOCVMFRP-VXGBXAGGSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000037782985 361937128 /nfs/dbraw/zinc/93/71/28/361937128.db2.gz PMJDSXVZCRWTOT-NWDGAFQWSA-N 0 3 291.351 2.256 20 5 CEBDHN CCc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000357665118 529634791 /nfs/dbraw/zinc/63/47/91/529634791.db2.gz NZROILFIFQWDJW-UHFFFAOYSA-N 0 3 288.351 2.486 20 5 CEBDHN CCC(CC)(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000126415312 187238399 /nfs/dbraw/zinc/23/83/99/187238399.db2.gz ZCONKQXASQTKOO-UHFFFAOYSA-N 0 3 266.341 2.483 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426090 282231320 /nfs/dbraw/zinc/23/13/20/282231320.db2.gz QRPOVEUCWRRYMF-ZIAGYGMSSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000047873394 362229124 /nfs/dbraw/zinc/22/91/24/362229124.db2.gz XSZAPOPBFPBSNZ-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN O=C(NCCN1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000045208556 343481971 /nfs/dbraw/zinc/48/19/71/343481971.db2.gz LFORKAZRKZWKES-UHFFFAOYSA-N 0 3 292.339 2.202 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000601972625 346947099 /nfs/dbraw/zinc/94/70/99/346947099.db2.gz HNXIDOXXNPPFIR-UTUOFQBUSA-N 0 3 262.309 2.234 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063465545 343677867 /nfs/dbraw/zinc/67/78/67/343677867.db2.gz IRVGYPMSPKXTFY-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ncccc1[N+](=O)[O-] ZINC000060842422 343663202 /nfs/dbraw/zinc/66/32/02/343663202.db2.gz FHNZAFSSAYBFEN-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN CC[C@H]1C[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698175 343809468 /nfs/dbraw/zinc/80/94/68/343809468.db2.gz YVXCGURODNBGFH-GWCFXTLKSA-N 0 3 291.351 2.314 20 5 CEBDHN CCCN1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000078251285 343943940 /nfs/dbraw/zinc/94/39/40/343943940.db2.gz JYHDOICYOUKOFL-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCc2ccncc2)cs1 ZINC000048262234 362252146 /nfs/dbraw/zinc/25/21/46/362252146.db2.gz OLAQFAGAFXPGFR-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN COC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048331286 362256040 /nfs/dbraw/zinc/25/60/40/362256040.db2.gz CLNKGHDSSWWQKW-UHFFFAOYSA-N 0 3 292.335 2.022 20 5 CEBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1CC1 ZINC000048580023 362287834 /nfs/dbraw/zinc/28/78/34/362287834.db2.gz QQGJZNZRNIFQDV-SNVBAGLBSA-N 0 3 277.324 2.264 20 5 CEBDHN COCCN1CCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000088719017 344112763 /nfs/dbraw/zinc/11/27/63/344112763.db2.gz FDYGWQNETYSLEV-ZDUSSCGKSA-N 0 3 293.367 2.426 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(Nc2cnn(CCN(C)C)c2)c1 ZINC000088716406 344113013 /nfs/dbraw/zinc/11/30/13/344113013.db2.gz WPLLMLURQIHLCE-UHFFFAOYSA-N 0 3 289.339 2.405 20 5 CEBDHN COc1cc(NCCN(C)C2CC2)c([N+](=O)[O-])cc1F ZINC000091459698 344164235 /nfs/dbraw/zinc/16/42/35/344164235.db2.gz CDAPCLXQPHLMHG-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN C[C@H](O)[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927536 344131538 /nfs/dbraw/zinc/13/15/38/344131538.db2.gz IHWGIBNWCONVLN-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000093414435 344223385 /nfs/dbraw/zinc/22/33/85/344223385.db2.gz GGGIGYPSGHKVIK-SOFGYWHQSA-N 0 3 264.325 2.311 20 5 CEBDHN Cn1cc(CN2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])n1 ZINC000602448681 347037777 /nfs/dbraw/zinc/03/77/77/347037777.db2.gz LYTSCGWLAUZYFQ-ZDUSSCGKSA-N 0 3 278.356 2.483 20 5 CEBDHN Cc1cc(N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000092657464 344198774 /nfs/dbraw/zinc/19/87/74/344198774.db2.gz ZXWQUFAYOSLAQD-ZDUSSCGKSA-N 0 3 263.341 2.434 20 5 CEBDHN CCC(CC)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602440803 347033357 /nfs/dbraw/zinc/03/33/57/347033357.db2.gz KVWSCLLJHBZAJF-UHFFFAOYSA-N 0 3 266.345 2.481 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@H](C)O ZINC000119046120 344293424 /nfs/dbraw/zinc/29/34/24/344293424.db2.gz AHGWRFVDTFIZNG-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN CC[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602472716 347047630 /nfs/dbraw/zinc/04/76/30/347047630.db2.gz JSNXBBPFDATOPL-NSHDSACASA-N 0 3 266.345 2.340 20 5 CEBDHN C[C@@H]1CCC[C@H](C)CN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475383 347049715 /nfs/dbraw/zinc/04/97/15/347049715.db2.gz VOOGZUQBYRSKDB-WDEREUQCSA-N 0 3 266.345 2.339 20 5 CEBDHN CN(C)CCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000168679699 344481032 /nfs/dbraw/zinc/48/10/32/344481032.db2.gz JEDCIZCJLVBERV-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](CCO)C2)c1 ZINC000051896548 362447476 /nfs/dbraw/zinc/44/74/76/362447476.db2.gz LUCYJOYPUOSAGO-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCC[C@H]1CCO1 ZINC000602517019 347064665 /nfs/dbraw/zinc/06/46/65/347064665.db2.gz VIRJZDVKUVFPBU-LBPRGKRZSA-N 0 3 250.298 2.254 20 5 CEBDHN CC1CCN(CCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401176993 344867270 /nfs/dbraw/zinc/86/72/70/344867270.db2.gz FHOAWIIXIHDPSP-UHFFFAOYSA-N 0 3 282.319 2.273 20 5 CEBDHN Cc1ccc([C@@H](C)NCC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220525 344878375 /nfs/dbraw/zinc/87/83/75/344878375.db2.gz XFERUQJARBZQTD-IUODEOHRSA-N 0 3 294.351 2.095 20 5 CEBDHN CC[C@H](NCC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222903 344878702 /nfs/dbraw/zinc/87/87/02/344878702.db2.gz ZPVDROPUZDUVBQ-GJZGRUSLSA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577087 347085705 /nfs/dbraw/zinc/08/57/05/347085705.db2.gz RLAJSADLGFRQTF-UWVGGRQHSA-N 0 3 291.307 2.393 20 5 CEBDHN C[C@@H]1CC[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591478415 345261322 /nfs/dbraw/zinc/26/13/22/345261322.db2.gz JDDFUBZHKBRVJD-TZMCWYRMSA-N 0 3 294.351 2.209 20 5 CEBDHN CCN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593457390 345490547 /nfs/dbraw/zinc/49/05/47/345490547.db2.gz DWNQBMMXWMDBHK-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CO)CCF)CCC2 ZINC000593718696 345526781 /nfs/dbraw/zinc/52/67/81/345526781.db2.gz PCNHBTMGSKZQES-BXUZGUMPSA-N 0 3 282.315 2.282 20 5 CEBDHN Cc1c([C@H](C)NCC[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725270 345527722 /nfs/dbraw/zinc/52/77/22/345527722.db2.gz WXRSHENIRGHLQH-WFASDCNBSA-N 0 3 294.351 2.095 20 5 CEBDHN Cc1c([C@@H](C)NCCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000593724074 345528048 /nfs/dbraw/zinc/52/80/48/345528048.db2.gz UNQFWPHYDDJRDX-GFCCVEGCSA-N 0 3 291.351 2.176 20 5 CEBDHN Cc1ccc(CN(C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594615719 345662725 /nfs/dbraw/zinc/66/27/25/345662725.db2.gz PPDOAWLZUBJZQA-LLVKDONJSA-N 0 3 264.325 2.248 20 5 CEBDHN CN1CCC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505494 345639614 /nfs/dbraw/zinc/63/96/14/345639614.db2.gz WTSLQSLLNMVYDH-SMDDNHRTSA-N 0 3 275.352 2.266 20 5 CEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594653044 345667516 /nfs/dbraw/zinc/66/75/16/345667516.db2.gz XHAPYUBBZOCSDE-ZDUSSCGKSA-N 0 3 289.339 2.281 20 5 CEBDHN Cc1c([C@@H](C)NC/C=C/CO)cccc1[N+](=O)[O-] ZINC000595067638 345739006 /nfs/dbraw/zinc/73/90/06/345739006.db2.gz HGLZMFKUEBQEFD-PGLGOXFNSA-N 0 3 250.298 2.102 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CCO ZINC000595009888 345726115 /nfs/dbraw/zinc/72/61/15/345726115.db2.gz UEMSYFLYYCQPMV-ZJUUUORDSA-N 0 3 268.313 2.025 20 5 CEBDHN CCC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018294 345727936 /nfs/dbraw/zinc/72/79/36/345727936.db2.gz NGKTZEAOHGHPAB-ZYHUDNBSSA-N 0 3 282.340 2.415 20 5 CEBDHN CC[C@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023555 345729391 /nfs/dbraw/zinc/72/93/91/345729391.db2.gz CWBPCPLCSKURBT-GHMZBOCLSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC1CC(O)C1 ZINC000595039224 345733039 /nfs/dbraw/zinc/73/30/39/345733039.db2.gz DODVGIOHIMQYAJ-ZBOXLXRLSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)OC ZINC000595043735 345733259 /nfs/dbraw/zinc/73/32/59/345733259.db2.gz ZRADTIDXMZGSMD-VHSXEESVSA-N 0 3 268.313 2.289 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)OC ZINC000595043736 345733470 /nfs/dbraw/zinc/73/34/70/345733470.db2.gz ZRADTIDXMZGSMD-ZJUUUORDSA-N 0 3 268.313 2.289 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)C1CCC1 ZINC000595056179 345735908 /nfs/dbraw/zinc/73/59/08/345735908.db2.gz BVNKUSSSTAPPMQ-ZIAGYGMSSA-N 0 3 276.336 2.333 20 5 CEBDHN C[C@@H](N[C@@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056541 345735991 /nfs/dbraw/zinc/73/59/91/345735991.db2.gz LLMYCZPFNJVZDY-YGRLFVJLSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@@H]1[C@@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000595407841 345776202 /nfs/dbraw/zinc/77/62/02/345776202.db2.gz HJHWAAMEDSOYRJ-GHMZBOCLSA-N 0 3 281.331 2.258 20 5 CEBDHN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595435242 345782094 /nfs/dbraw/zinc/78/20/94/345782094.db2.gz DBWYZZIWTIOGGQ-GXSJLCMTSA-N 0 3 268.288 2.249 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2COC[C@H]2C1 ZINC000595826864 345887067 /nfs/dbraw/zinc/88/70/67/345887067.db2.gz KKLVPCODTBTBFO-QWHCGFSZSA-N 0 3 292.335 2.072 20 5 CEBDHN Cc1c(CN2CC[C@@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595835070 345891640 /nfs/dbraw/zinc/89/16/40/345891640.db2.gz UJIREJGUBSROEL-ZIAGYGMSSA-N 0 3 276.336 2.372 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2COC[C@H]2C1 ZINC000595835783 345892325 /nfs/dbraw/zinc/89/23/25/345892325.db2.gz VLEUBNRAFGUJMN-WCQYABFASA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595873242 345903021 /nfs/dbraw/zinc/90/30/21/345903021.db2.gz KWGCBLJJGUSPHA-BXUZGUMPSA-N 0 3 264.325 2.045 20 5 CEBDHN CC(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596069370 345931943 /nfs/dbraw/zinc/93/19/43/345931943.db2.gz FJMPBCYNLGYFLB-GFCCVEGCSA-N 0 3 294.355 2.228 20 5 CEBDHN CCC[N@H+](CC)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596242584 345978296 /nfs/dbraw/zinc/97/82/96/345978296.db2.gz YGEGMSSBGNWMNP-JTQLQIEISA-N 0 3 282.344 2.228 20 5 CEBDHN CCC[N@@H+](CC)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596242584 345978300 /nfs/dbraw/zinc/97/83/00/345978300.db2.gz YGEGMSSBGNWMNP-JTQLQIEISA-N 0 3 282.344 2.228 20 5 CEBDHN CN1CCN(c2ncccc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251086 345980727 /nfs/dbraw/zinc/98/07/27/345980727.db2.gz MEMGOBOLQWWVSN-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN Cc1cn(C[C@@H]2CCCCN2C(C)C)nc1[N+](=O)[O-] ZINC000596279687 345990236 /nfs/dbraw/zinc/99/02/36/345990236.db2.gz TUQBELIEMQQHNU-LBPRGKRZSA-N 0 3 266.345 2.363 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000596305862 345995423 /nfs/dbraw/zinc/99/54/23/345995423.db2.gz BOPYAGHCDDKYCF-JTQLQIEISA-N 0 3 264.329 2.275 20 5 CEBDHN CCc1nn(C)c(NC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000596305859 345995537 /nfs/dbraw/zinc/99/55/37/345995537.db2.gz BLWWKFMNHVTHNG-SNVBAGLBSA-N 0 3 295.387 2.175 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597052419 346121063 /nfs/dbraw/zinc/12/10/63/346121063.db2.gz BTWCEEVRFCUNPO-IUODEOHRSA-N 0 3 292.335 2.131 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1CN(C)C1 ZINC000597204902 346148311 /nfs/dbraw/zinc/14/83/11/346148311.db2.gz GXXJLYMEWUJZDQ-UHFFFAOYSA-N 0 3 283.759 2.242 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598343339 346331907 /nfs/dbraw/zinc/33/19/07/346331907.db2.gz VBAWUBORDBVGOE-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000598342399 346332150 /nfs/dbraw/zinc/33/21/50/346332150.db2.gz MNUIACZXIPMKTH-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598265547 346316682 /nfs/dbraw/zinc/31/66/82/346316682.db2.gz UJQXALFIHLMPKE-NSHDSACASA-N 0 3 295.339 2.038 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000598677247 346399198 /nfs/dbraw/zinc/39/91/98/346399198.db2.gz NVGIYWQKZILHGJ-FZMZJTMJSA-N 0 3 278.352 2.354 20 5 CEBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN2CC[C@H]1C2 ZINC000599084193 346458018 /nfs/dbraw/zinc/45/80/18/346458018.db2.gz UHGJWAYLZDOXAG-NSHDSACASA-N 0 3 284.319 2.037 20 5 CEBDHN Cc1cc(NC[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599175246 346473241 /nfs/dbraw/zinc/47/32/41/346473241.db2.gz ULZRVYIDMSUDLZ-KLPPZKSPSA-N 0 3 287.319 2.056 20 5 CEBDHN CN(CCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000063248200 362763427 /nfs/dbraw/zinc/76/34/27/362763427.db2.gz OMJOFAYWAQRACU-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165436 346774551 /nfs/dbraw/zinc/77/45/51/346774551.db2.gz OLHUGMQJKCCROM-CMPLNLGQSA-N 0 3 294.330 2.192 20 5 CEBDHN Nc1ccnc2c1CN(c1ccsc1[N+](=O)[O-])CC2 ZINC000601184242 346779808 /nfs/dbraw/zinc/77/98/08/346779808.db2.gz JRXYOZXAVFVNIT-UHFFFAOYSA-N 0 3 276.321 2.196 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635650 347116349 /nfs/dbraw/zinc/11/63/49/347116349.db2.gz AULVEXLDAJDTQW-RKDXNWHRSA-N 0 3 292.364 2.455 20 5 CEBDHN Cn1cc(CN(CC2CC2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602645250 347121141 /nfs/dbraw/zinc/12/11/41/347121141.db2.gz QWKXVLQAQOVAQB-UHFFFAOYSA-N 0 3 264.329 2.093 20 5 CEBDHN COCC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602672903 347135423 /nfs/dbraw/zinc/13/54/23/347135423.db2.gz RJWMBNGNIKYQNB-UHFFFAOYSA-N 0 3 293.323 2.498 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(C)CC1 ZINC000602771944 347192606 /nfs/dbraw/zinc/19/26/06/347192606.db2.gz CMZSOHZRKLYFPF-UHFFFAOYSA-N 0 3 266.345 2.222 20 5 CEBDHN Cn1cc(CN(CC2CC2)CC2CCC2)c([N+](=O)[O-])n1 ZINC000602821208 347213677 /nfs/dbraw/zinc/21/36/77/347213677.db2.gz MUDLYFZAYHVZLL-UHFFFAOYSA-N 0 3 278.356 2.340 20 5 CEBDHN COCC[C@H](COC)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832067 365896587 /nfs/dbraw/zinc/89/65/87/365896587.db2.gz LIPQAEOINFMCRE-DGCLKSJQSA-N 0 3 282.340 2.297 20 5 CEBDHN C[C@H]1COCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610990642 347728236 /nfs/dbraw/zinc/72/82/36/347728236.db2.gz FAFAYQYLVXZYDN-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000611084364 347737157 /nfs/dbraw/zinc/73/71/57/347737157.db2.gz AKKZFIGMRJPAEH-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN O=C(CCN1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000611517373 347789460 /nfs/dbraw/zinc/78/94/60/347789460.db2.gz VPKXJTQCCKNKTB-UHFFFAOYSA-N 0 3 275.308 2.185 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000612404362 347880441 /nfs/dbraw/zinc/88/04/41/347880441.db2.gz KGKRICYXEBFIGQ-YDHLFZDLSA-N 0 3 276.336 2.106 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000612404359 347880509 /nfs/dbraw/zinc/88/05/09/347880509.db2.gz KGKRICYXEBFIGQ-GUTXKFCHSA-N 0 3 276.336 2.106 20 5 CEBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000351935810 219255275 /nfs/dbraw/zinc/25/52/75/219255275.db2.gz NTTOPIDOBPPQQV-NWDGAFQWSA-N 0 3 263.341 2.119 20 5 CEBDHN CCOC(=O)C1(CNCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000351941790 219257730 /nfs/dbraw/zinc/25/77/30/219257730.db2.gz WOZNMOHCVWDLJH-UHFFFAOYSA-N 0 3 292.335 2.336 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N(C)C ZINC000271219913 191009748 /nfs/dbraw/zinc/00/97/48/191009748.db2.gz FUOMRSJBQUQNJO-LLVKDONJSA-N 0 3 293.367 2.200 20 5 CEBDHN C[C@H]1[C@@H](CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000412084757 233334884 /nfs/dbraw/zinc/33/48/84/233334884.db2.gz QSZAVSSMKGJAJB-WCQYABFASA-N 0 3 264.325 2.188 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000091554084 180189368 /nfs/dbraw/zinc/18/93/68/180189368.db2.gz ONNTTXRAURRJFG-UHFFFAOYSA-N 0 3 281.360 2.017 20 5 CEBDHN C[C@@H](CNCc1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105488321 186060069 /nfs/dbraw/zinc/06/00/69/186060069.db2.gz GAXVQPQYHJRZIN-VIFPVBQESA-N 0 3 269.370 2.229 20 5 CEBDHN CC(C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000092395323 180377059 /nfs/dbraw/zinc/37/70/59/180377059.db2.gz DGTRTCRGCSJSIT-LBPRGKRZSA-N 0 3 272.732 2.355 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000107692077 186186849 /nfs/dbraw/zinc/18/68/49/186186849.db2.gz KZXQAXYIGZQTSN-LBPRGKRZSA-N 0 3 264.325 2.453 20 5 CEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000122909217 187058545 /nfs/dbraw/zinc/05/85/45/187058545.db2.gz RTPZKLCHXLNZHA-VXGBXAGGSA-N 0 3 291.351 2.150 20 5 CEBDHN CO[C@]1(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123193158 187077141 /nfs/dbraw/zinc/07/71/41/187077141.db2.gz SXTOKOMDMVRIAS-DOMZBBRYSA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@@H]1CC[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072897143 363179405 /nfs/dbraw/zinc/17/94/05/363179405.db2.gz QDXLEHAUJZQPRJ-WDEREUQCSA-N 0 3 291.351 2.314 20 5 CEBDHN CCOCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292247497 198216497 /nfs/dbraw/zinc/21/64/97/198216497.db2.gz XLCKRAYTCOOTQJ-UHFFFAOYSA-N 0 3 252.314 2.456 20 5 CEBDHN CN1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273502630 192178610 /nfs/dbraw/zinc/17/86/10/192178610.db2.gz OFFXLFMGDGFORU-UHFFFAOYSA-N 0 3 283.759 2.386 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889270 188110356 /nfs/dbraw/zinc/11/03/56/188110356.db2.gz GOQBRZOWIKUVHM-GHMZBOCLSA-N 0 3 282.340 2.415 20 5 CEBDHN COC1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271671680 191269737 /nfs/dbraw/zinc/26/97/37/191269737.db2.gz AYTNTUIGCYNEMN-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)C2CC2)c1 ZINC000157559410 188325030 /nfs/dbraw/zinc/32/50/30/188325030.db2.gz VIZVRTIZXJABKG-UHFFFAOYSA-N 0 3 286.335 2.456 20 5 CEBDHN Cc1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000133496540 366231052 /nfs/dbraw/zinc/23/10/52/366231052.db2.gz MIFSCERBTSJQHQ-GHMZBOCLSA-N 0 3 276.340 2.335 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795936 291079601 /nfs/dbraw/zinc/07/96/01/291079601.db2.gz RHNVHWUFJVZBMA-JQWIXIFHSA-N 0 3 293.323 2.004 20 5 CEBDHN CO[C@H](C)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338376156 366326863 /nfs/dbraw/zinc/32/68/63/366326863.db2.gz LMYOGQZCGQWYCL-LLVKDONJSA-N 0 3 252.314 2.104 20 5 CEBDHN CC[C@H](NC[C@@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413641 215569087 /nfs/dbraw/zinc/56/90/87/215569087.db2.gz QQBAGCNSKJZDHD-KKUMJFAQSA-N 0 3 294.351 2.175 20 5 CEBDHN CC(C)NC(=O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000134822718 366362535 /nfs/dbraw/zinc/36/25/35/366362535.db2.gz JFJWSOKXRPQSGA-LLVKDONJSA-N 0 3 279.340 2.160 20 5 CEBDHN CC[C@H](CO)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294686058 199134468 /nfs/dbraw/zinc/13/44/68/199134468.db2.gz BMQLJDXYZRNKSS-STMXVASLSA-N 0 3 264.325 2.311 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000294810255 199193626 /nfs/dbraw/zinc/19/36/26/199193626.db2.gz NTBODEMVPGKAPO-UHFFFAOYSA-N 0 3 252.314 2.045 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@@H](O)C3)o2)cc1 ZINC000294858114 199216377 /nfs/dbraw/zinc/21/63/77/199216377.db2.gz OBZPLQWRJFDROU-BJHJDKERSA-N 0 3 288.303 2.468 20 5 CEBDHN Cc1c([C@H](C)N[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949526 366677559 /nfs/dbraw/zinc/67/75/59/366677559.db2.gz QJJLLQBSMPCADG-ONGXEEELSA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1[C@H](C)CCC[C@@H]1C ZINC000341938188 216159427 /nfs/dbraw/zinc/15/94/27/216159427.db2.gz TWODFABXCIXCNU-BETUJISGSA-N 0 3 292.383 2.395 20 5 CEBDHN CCOC[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081522506 363725677 /nfs/dbraw/zinc/72/56/77/363725677.db2.gz PPLDTWHHNQRSBK-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN C[C@@H](NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739392 363786210 /nfs/dbraw/zinc/78/62/10/363786210.db2.gz FOPGIMMVJZCOLC-MNOVXSKESA-N 0 3 250.298 2.424 20 5 CEBDHN CN(C)CCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301597332 201090725 /nfs/dbraw/zinc/09/07/25/201090725.db2.gz GSCUOVVVVQXVDD-UHFFFAOYSA-N 0 3 271.298 2.157 20 5 CEBDHN CCCN(C)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342479025 216366525 /nfs/dbraw/zinc/36/65/25/216366525.db2.gz BDYGJPNIKBWHQL-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN CCN1CCN([C@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000301939845 201270812 /nfs/dbraw/zinc/27/08/12/201270812.db2.gz UCNTZULKIVCWFD-LLVKDONJSA-N 0 3 298.412 2.094 20 5 CEBDHN CN(CCOCC1CC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000088599902 363911286 /nfs/dbraw/zinc/91/12/86/363911286.db2.gz BCGCASKRHHESNX-UHFFFAOYSA-N 0 3 294.351 2.332 20 5 CEBDHN CC[C@H](CCO)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000094953778 364315119 /nfs/dbraw/zinc/31/51/19/364315119.db2.gz BNFAMUBPCJFTBY-LLVKDONJSA-N 0 3 282.340 2.102 20 5 CEBDHN COCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112353900 364798760 /nfs/dbraw/zinc/79/87/60/364798760.db2.gz ALWYVZKTTLHIBF-UHFFFAOYSA-N 0 3 264.325 2.453 20 5 CEBDHN CC[C@@H](C)[C@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380311 364802256 /nfs/dbraw/zinc/80/22/56/364802256.db2.gz XOQXKNYERAOXMJ-IAQYHMDHSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1(O)CCOCC1 ZINC000275580641 193079116 /nfs/dbraw/zinc/07/91/16/193079116.db2.gz PTVURMZCLGFFEX-LBPRGKRZSA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H](SCCN(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120238931 365393709 /nfs/dbraw/zinc/39/37/09/365393709.db2.gz CNVJLJJPPYTOEK-SNVBAGLBSA-N 0 3 297.380 2.217 20 5 CEBDHN CCN1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000582976047 366986015 /nfs/dbraw/zinc/98/60/15/366986015.db2.gz UHEWGFPPYXOYQZ-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN COCC[C@]1(NCc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000583544877 367062825 /nfs/dbraw/zinc/06/28/25/367062825.db2.gz KKDIBMPNBICTAQ-HNNXBMFYSA-N 0 3 294.351 2.188 20 5 CEBDHN CS[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000611414535 367225472 /nfs/dbraw/zinc/22/54/72/367225472.db2.gz GBXUSTINBYWSKN-UWVGGRQHSA-N 0 3 287.410 2.138 20 5 CEBDHN C[C@@H](N[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168605312 367356589 /nfs/dbraw/zinc/35/65/89/367356589.db2.gz XDTKJDKBAVFHOH-WDEREUQCSA-N 0 3 251.330 2.196 20 5 CEBDHN C[C@H](O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168138355 367346803 /nfs/dbraw/zinc/34/68/03/367346803.db2.gz OLKXVBUYPFVBAM-QMMMGPOBSA-N 0 3 272.732 2.497 20 5 CEBDHN C[C@@H](CN(C)C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000168539866 367355670 /nfs/dbraw/zinc/35/56/70/367355670.db2.gz MNICIVRZTVWICB-VIFPVBQESA-N 0 3 271.748 2.288 20 5 CEBDHN C[C@@H](CN(C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168869691 367361088 /nfs/dbraw/zinc/36/10/88/367361088.db2.gz FERXEUSUXRZJTH-VIFPVBQESA-N 0 3 271.748 2.288 20 5 CEBDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343454091 367823679 /nfs/dbraw/zinc/82/36/79/367823679.db2.gz PCZRUEAJQVFGSO-DGCLKSJQSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(C)[C@@H]1C ZINC000343479172 367838654 /nfs/dbraw/zinc/83/86/54/367838654.db2.gz QNCBZRRHCYKRIT-PWSUYJOCSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H](NCCSCCCO)c1cccc([N+](=O)[O-])c1 ZINC000173395709 367906375 /nfs/dbraw/zinc/90/63/75/367906375.db2.gz PIMMKIQTNOAQQC-NSHDSACASA-N 0 3 284.381 2.361 20 5 CEBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc21 ZINC000176202360 368212039 /nfs/dbraw/zinc/21/20/39/368212039.db2.gz UEGYVOPPXJBBCJ-CQSZACIVSA-N 0 3 286.335 2.411 20 5 CEBDHN CC(C)C[C@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000185368802 368798516 /nfs/dbraw/zinc/79/85/16/368798516.db2.gz GVULWJJTVGHBSR-CYBMUJFWSA-N 0 3 296.367 2.312 20 5 CEBDHN COc1cccc(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000185737207 368852197 /nfs/dbraw/zinc/85/21/97/368852197.db2.gz DFJTYCIVCNFUOS-UHFFFAOYSA-N 0 3 279.340 2.134 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)O ZINC000348713597 369130604 /nfs/dbraw/zinc/13/06/04/369130604.db2.gz WUFROWVEKHDYBL-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN C/C=C\C[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000349847338 369421444 /nfs/dbraw/zinc/42/14/44/369421444.db2.gz FCVPMIARAWIOHI-SCOBNMCVSA-N 0 3 264.325 2.320 20 5 CEBDHN CC(C)OCC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896433 369443117 /nfs/dbraw/zinc/44/31/17/369443117.db2.gz QWTCYUWHDREADM-IUODEOHRSA-N 0 3 296.367 2.421 20 5 CEBDHN COc1cc(CN(C)C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352404139 369714588 /nfs/dbraw/zinc/71/45/88/369714588.db2.gz CMOWKAWUVIXPPS-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN COc1cc(CN[C@@H]2CSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352812922 369889733 /nfs/dbraw/zinc/88/97/33/369889733.db2.gz ARTMKBDBRVSLOY-MWLCHTKSSA-N 0 3 282.365 2.445 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000193104842 369893096 /nfs/dbraw/zinc/89/30/96/369893096.db2.gz WQSNWMLYRJWYGD-SECBINFHSA-N 0 3 258.343 2.153 20 5 CEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000352987256 369971137 /nfs/dbraw/zinc/97/11/37/369971137.db2.gz LESSTJVVPYSNSB-NWDGAFQWSA-N 0 3 278.356 2.087 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCCO ZINC000193284124 369917064 /nfs/dbraw/zinc/91/70/64/369917064.db2.gz NGLIIBKSRKRFCL-UHFFFAOYSA-N 0 3 258.705 2.110 20 5 CEBDHN CC(C)[C@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023142 369986331 /nfs/dbraw/zinc/98/63/31/369986331.db2.gz GXDVIDJUVPTOJS-CHWSQXEVSA-N 0 3 294.351 2.065 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000194827766 370077920 /nfs/dbraw/zinc/07/79/20/370077920.db2.gz WNDJOTLIISYNCX-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000195222074 370115881 /nfs/dbraw/zinc/11/58/81/370115881.db2.gz AXNQFXBXPDNYBX-GFCCVEGCSA-N 0 3 250.298 2.063 20 5 CEBDHN CN(c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000354079860 370208883 /nfs/dbraw/zinc/20/88/83/370208883.db2.gz MHHYHXYFDGBYMG-GFCCVEGCSA-N 0 3 261.325 2.268 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@H](C)C1 ZINC000223071414 370259983 /nfs/dbraw/zinc/25/99/83/370259983.db2.gz DLKSLNADTLEGGV-CMPLNLGQSA-N 0 3 280.324 2.261 20 5 CEBDHN CC[C@](C)(CCO)NCc1csc([N+](=O)[O-])c1 ZINC000230222322 370447032 /nfs/dbraw/zinc/44/70/32/370447032.db2.gz VHROTDBAKFMBFX-LLVKDONJSA-N 0 3 258.343 2.297 20 5 CEBDHN C[C@H](NCCc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000231030320 370474053 /nfs/dbraw/zinc/47/40/53/370474053.db2.gz NQUADENCJIVBHF-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246796282 371012547 /nfs/dbraw/zinc/01/25/47/371012547.db2.gz CWSMXOBMZDXFFD-GXSJLCMTSA-N 0 3 297.380 2.115 20 5 CEBDHN CC[C@@H](NCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358343721 371024197 /nfs/dbraw/zinc/02/41/97/371024197.db2.gz UAEXNWOMJHLTLF-CQSZACIVSA-N 0 3 263.341 2.341 20 5 CEBDHN COc1cccc(N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000358654265 371157998 /nfs/dbraw/zinc/15/79/98/371157998.db2.gz SRQNRYJFBOADHD-MNOVXSKESA-N 0 3 279.340 2.498 20 5 CEBDHN CO[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251923822 371424568 /nfs/dbraw/zinc/42/45/68/371424568.db2.gz SOLHSNLHMUHQKE-IUODEOHRSA-N 0 3 294.351 2.330 20 5 CEBDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000252728500 371474065 /nfs/dbraw/zinc/47/40/65/371474065.db2.gz BQBKKATWVPFLLW-ADWYPQAOSA-N 0 3 284.381 2.403 20 5 CEBDHN CCc1cnccc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000361135120 371671072 /nfs/dbraw/zinc/67/10/72/371671072.db2.gz KLOGLBXWTLPARX-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN CC1(C)[C@H](O)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361080788 371641242 /nfs/dbraw/zinc/64/12/42/371641242.db2.gz MBYWSRNMNGSCCY-HZRUHFOJSA-N 0 3 276.336 2.453 20 5 CEBDHN Cc1c([C@@H](C)NC[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802132 372228577 /nfs/dbraw/zinc/22/85/77/372228577.db2.gz BIPHFWYWUMDDBN-MWLCHTKSSA-N 0 3 252.314 2.182 20 5 CEBDHN CC(C)C[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269241855 372395401 /nfs/dbraw/zinc/39/54/01/372395401.db2.gz NSEBFENRTMKYEY-LBPRGKRZSA-N 0 3 299.758 2.238 20 5 CEBDHN COc1cc(C[NH2+]C[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000344409283 217184132 /nfs/dbraw/zinc/18/41/32/217184132.db2.gz LTXPAEYFMUAIFS-JTQLQIEISA-N 0 3 280.324 2.445 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000270085203 372659529 /nfs/dbraw/zinc/65/95/29/372659529.db2.gz JPIBZGMVEDQPLM-DOMZBBRYSA-N 0 3 294.351 2.066 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000270099033 372664085 /nfs/dbraw/zinc/66/40/85/372664085.db2.gz LBWFPRDFFGBLLK-TZMCWYRMSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000271161380 373154085 /nfs/dbraw/zinc/15/40/85/373154085.db2.gz ANOFDEDLTVIHRA-VMPITWQZSA-N 0 3 264.325 2.312 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C1CCCC1 ZINC000370057405 373569302 /nfs/dbraw/zinc/56/93/02/373569302.db2.gz WXZPEKANZUEGFU-LBPRGKRZSA-N 0 3 278.356 2.483 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C1CCCC1 ZINC000370057404 373569377 /nfs/dbraw/zinc/56/93/77/373569377.db2.gz WXZPEKANZUEGFU-GFCCVEGCSA-N 0 3 278.356 2.483 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000268942064 220226231 /nfs/dbraw/zinc/22/62/31/220226231.db2.gz PRVZUWOTFRDIRO-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CO[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000371730841 373961511 /nfs/dbraw/zinc/96/15/11/373961511.db2.gz AIDOYFWGHYNAAN-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000277966566 374695484 /nfs/dbraw/zinc/69/54/84/374695484.db2.gz SJSGRZMPSLMHLL-RNCFNFMXSA-N 0 3 268.288 2.249 20 5 CEBDHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000376789793 374733872 /nfs/dbraw/zinc/73/38/72/374733872.db2.gz MKUPUXTYHWGQRM-UHFFFAOYSA-N 0 3 297.314 2.030 20 5 CEBDHN COC(=O)C(C)(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000279858504 375013338 /nfs/dbraw/zinc/01/33/38/375013338.db2.gz IUCICAVCLQBNEW-UHFFFAOYSA-N 0 3 280.324 2.274 20 5 CEBDHN Cc1ccc(CN2CCNC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414770163 375958978 /nfs/dbraw/zinc/95/89/78/375958978.db2.gz OLAWTUIBADFEQW-AWEZNQCLSA-N 0 3 281.331 2.037 20 5 CEBDHN C[C@@H](CN(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000286853156 376085016 /nfs/dbraw/zinc/08/50/16/376085016.db2.gz BJELMAVVPWGCEN-VIFPVBQESA-N 0 3 291.307 2.021 20 5 CEBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000263702143 190074044 /nfs/dbraw/zinc/07/40/44/190074044.db2.gz IRPFAQSDSGJSBS-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1cc(CN2CCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305844988 376517851 /nfs/dbraw/zinc/51/78/51/376517851.db2.gz SGJAOCUDUMZAHQ-WCQYABFASA-N 0 3 294.351 2.339 20 5 CEBDHN CO[C@@H](C)[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000289756103 376483297 /nfs/dbraw/zinc/48/32/97/376483297.db2.gz IPSPPBXWVCPALG-MNOVXSKESA-N 0 3 252.314 2.416 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCN(C)C1CC1 ZINC000290427241 376773791 /nfs/dbraw/zinc/77/37/91/376773791.db2.gz LBXRLWBLNZXSPH-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@H](C[C@@H]1COCCN1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019219 376936806 /nfs/dbraw/zinc/93/68/06/376936806.db2.gz UTCWBKZOZLFFBF-FRRDWIJNSA-N 0 3 293.367 2.012 20 5 CEBDHN C[C@@H](O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000264689060 190128881 /nfs/dbraw/zinc/12/88/81/190128881.db2.gz DBYCEMZPDKTJJH-GFCCVEGCSA-N 0 3 294.351 2.066 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H](C)C1 ZINC000563421688 377219014 /nfs/dbraw/zinc/21/90/14/377219014.db2.gz PWSWGWOGUNYWHE-MNOVXSKESA-N 0 3 279.340 2.498 20 5 CEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000293196582 377467670 /nfs/dbraw/zinc/46/76/70/377467670.db2.gz XLFXHURWDLCDRU-AWEZNQCLSA-N 0 3 264.325 2.418 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCNCC1 ZINC000332269504 377555039 /nfs/dbraw/zinc/55/50/39/377555039.db2.gz GJJSBGFMTROXTP-UHFFFAOYSA-N 0 3 292.339 2.039 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265480164 190185277 /nfs/dbraw/zinc/18/52/77/190185277.db2.gz HBRYRPWZIRVDAL-JTQLQIEISA-N 0 3 298.774 2.421 20 5 CEBDHN C[C@@H](NCCc1cn(C)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000313268205 249391762 /nfs/dbraw/zinc/39/17/62/249391762.db2.gz VMLTXNJZHUVUDF-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)CNC(C)C)cc1[N+](=O)[O-] ZINC000565251383 377626105 /nfs/dbraw/zinc/62/61/05/377626105.db2.gz QVRVVZGSJOYEQW-NSHDSACASA-N 0 3 279.340 2.078 20 5 CEBDHN CC[C@@H](O)[C@H](CC)NCc1cccc([N+](=O)[O-])c1 ZINC000313123532 249385498 /nfs/dbraw/zinc/38/54/98/249385498.db2.gz WIRZTCLUJCGJCO-QWHCGFSZSA-N 0 3 252.314 2.234 20 5 CEBDHN Cc1nocc1CNCCc1ccccc1[N+](=O)[O-] ZINC000293692881 377705174 /nfs/dbraw/zinc/70/51/74/377705174.db2.gz WMLVLLOZONTRDF-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN C[C@H](NCCOCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293867890 377796422 /nfs/dbraw/zinc/79/64/22/377796422.db2.gz UUWGZTZDCGLPFN-JTQLQIEISA-N 0 3 279.340 2.254 20 5 CEBDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000295258745 378074061 /nfs/dbraw/zinc/07/40/61/378074061.db2.gz FWOWULJLWYLFKK-SMDDNHRTSA-N 0 3 293.367 2.358 20 5 CEBDHN COCC[C@]1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000447087550 378090924 /nfs/dbraw/zinc/09/09/24/378090924.db2.gz PAGUNUIFVDOHCA-HNNXBMFYSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000295913039 378352671 /nfs/dbraw/zinc/35/26/71/378352671.db2.gz JIEBKJBBFXCHCU-ZMLRMANQSA-N 0 3 250.298 2.077 20 5 CEBDHN COC[C@]1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776062 378645855 /nfs/dbraw/zinc/64/58/55/378645855.db2.gz PYHSUSMDIWRUOE-OAHLLOKOSA-N 0 3 294.351 2.332 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCCC1 ZINC000299558607 379044222 /nfs/dbraw/zinc/04/42/22/379044222.db2.gz ABKWGSXEDAZEHQ-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](CO)C1 ZINC000347360883 218204525 /nfs/dbraw/zinc/20/45/25/218204525.db2.gz PATAYSNHRQORIM-VDBIKXPHSA-N 0 3 276.336 2.312 20 5 CEBDHN CCOC1CC(N(C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000347455800 218240810 /nfs/dbraw/zinc/24/08/10/218240810.db2.gz SHYMXEDSCIROLF-UHFFFAOYSA-N 0 3 294.351 2.473 20 5 CEBDHN COC[C@](C)(O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952362 379326933 /nfs/dbraw/zinc/32/69/33/379326933.db2.gz SYQHJGKWXCTYQI-IUODEOHRSA-N 0 3 296.367 2.341 20 5 CEBDHN COC[C@@H](C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000527366566 379753845 /nfs/dbraw/zinc/75/38/45/379753845.db2.gz XBKKMIHUXOYRMP-NSHDSACASA-N 0 3 264.325 2.235 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000547363438 380434686 /nfs/dbraw/zinc/43/46/86/380434686.db2.gz QEMRXQWBFOPDQS-GXTWGEPZSA-N 0 3 278.352 2.496 20 5 CEBDHN CCc1nncn1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000547386646 380435726 /nfs/dbraw/zinc/43/57/26/380435726.db2.gz FTTQZILVFZZACL-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN CC(C)(NC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000492332829 380521348 /nfs/dbraw/zinc/52/13/48/380521348.db2.gz IHMQDLCTDGDYAU-LLVKDONJSA-N 0 3 264.325 2.456 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@H](CO)C2)cc1 ZINC000374037661 220294295 /nfs/dbraw/zinc/29/42/95/220294295.db2.gz LSFQGRLFBONTKK-ZDUSSCGKSA-N 0 3 264.325 2.189 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCCO ZINC000281618560 195311110 /nfs/dbraw/zinc/31/11/10/195311110.db2.gz HJDNUCCWQWSUHP-NSHDSACASA-N 0 3 252.314 2.278 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000263941400 131365894 /nfs/dbraw/zinc/36/58/94/131365894.db2.gz ZWDUPZBUIWAWPU-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CN(C)CC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000308612310 394529002 /nfs/dbraw/zinc/52/90/02/394529002.db2.gz FDGIDGJDZXXIBQ-UHFFFAOYSA-N 0 3 257.359 2.086 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)CN1CCCC1 ZINC000308668902 394530748 /nfs/dbraw/zinc/53/07/48/394530748.db2.gz UNYHRYBMRWDSIR-UHFFFAOYSA-N 0 3 295.387 2.406 20 5 CEBDHN CC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000421874991 394624024 /nfs/dbraw/zinc/62/40/24/394624024.db2.gz JKNYLKMGGVEFAV-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331101069 394627730 /nfs/dbraw/zinc/62/77/30/394627730.db2.gz DDEKEQPQZKGUMG-VWYCJHECSA-N 0 3 266.345 2.243 20 5 CEBDHN CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000265433608 394648175 /nfs/dbraw/zinc/64/81/75/394648175.db2.gz JACXXXYEOCADAM-CQSZACIVSA-N 0 3 293.367 2.331 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@@H](C)[C@H]1C ZINC000357041635 394690040 /nfs/dbraw/zinc/69/00/40/394690040.db2.gz PEUFHTWYQWPOGE-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000272765862 394777335 /nfs/dbraw/zinc/77/73/35/394777335.db2.gz DGANFCNWMAPAFE-NSHDSACASA-N 0 3 252.314 2.452 20 5 CEBDHN C[C@H](Cn1cccn1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374860 394956641 /nfs/dbraw/zinc/95/66/41/394956641.db2.gz WDVSLCXLQJTLCU-MNOVXSKESA-N 0 3 289.339 2.113 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@]3(CCOC3)C2)c1 ZINC000153616708 395012390 /nfs/dbraw/zinc/01/23/90/395012390.db2.gz VFBLOKXDZXSQOI-HNNXBMFYSA-N 0 3 292.335 2.086 20 5 CEBDHN CN(C)C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000416306517 395051073 /nfs/dbraw/zinc/05/10/73/395051073.db2.gz GIJXOPKULNXXFY-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CN1C[C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425288777 395056381 /nfs/dbraw/zinc/05/63/81/395056381.db2.gz UTIHOVMFSFQEID-JOYOIKCWSA-N 0 3 296.758 2.174 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000375039510 395089997 /nfs/dbraw/zinc/08/99/97/395089997.db2.gz NFWAOMAPYYWFMF-HZMBPMFUSA-N 0 3 279.315 2.264 20 5 CEBDHN CC(=O)c1cc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000419006873 395245857 /nfs/dbraw/zinc/24/58/57/395245857.db2.gz ITGMPEUQAODTEJ-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000294916002 395282056 /nfs/dbraw/zinc/28/20/56/395282056.db2.gz BERLPXKWVSHYRI-NRUUGDAUSA-N 0 3 250.298 2.250 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCN3C[C@@H]2C)n1 ZINC000408172156 395292830 /nfs/dbraw/zinc/29/28/30/395292830.db2.gz SJYYCRSIZQEYSQ-STQMWFEESA-N 0 3 290.367 2.280 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3CCN(C)C[C@@H]32)n1 ZINC000408172669 395293344 /nfs/dbraw/zinc/29/33/44/395293344.db2.gz ZCDPSGSYAVUSRD-STQMWFEESA-N 0 3 290.367 2.137 20 5 CEBDHN C[C@H](O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192866953 395396027 /nfs/dbraw/zinc/39/60/27/395396027.db2.gz SZENQXQVTKEJJC-IINYFYTJSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1ccc(CN(C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000191158368 395351612 /nfs/dbraw/zinc/35/16/12/395351612.db2.gz ZVCFPNVODVUSEQ-UHFFFAOYSA-N 0 3 264.325 2.106 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000355363963 395422958 /nfs/dbraw/zinc/42/29/58/395422958.db2.gz DGNCEVJPYMNJHH-GQCTYLIASA-N 0 3 262.309 2.063 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC1(O)CCC1 ZINC000355365789 395423336 /nfs/dbraw/zinc/42/33/36/395423336.db2.gz KUNAQXGGIJSUSW-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN CC1(C)CCCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000446075067 395483174 /nfs/dbraw/zinc/48/31/74/395483174.db2.gz VQAIWDRTOUUALK-UHFFFAOYSA-N 0 3 293.367 2.269 20 5 CEBDHN CC[C@@H](NC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468812 153323449 /nfs/dbraw/zinc/32/34/49/153323449.db2.gz ATYJMTWGPCOYNE-MNOVXSKESA-N 0 3 274.267 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(N)=O)CC1 ZINC000182628731 292295835 /nfs/dbraw/zinc/29/58/35/292295835.db2.gz ASXWZTGFVQMJKQ-NSHDSACASA-N 0 3 291.351 2.162 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCC3)CC2)c1 ZINC000367583971 156210016 /nfs/dbraw/zinc/21/00/16/156210016.db2.gz GSVUIDAEFGPHKT-UHFFFAOYSA-N 0 3 264.329 2.057 20 5 CEBDHN COCC1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000539523194 298249690 /nfs/dbraw/zinc/24/96/90/298249690.db2.gz ZMWQBYBZJMIHEW-GQCTYLIASA-N 0 3 262.309 2.377 20 5 CEBDHN COCC1(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539649689 298251209 /nfs/dbraw/zinc/25/12/09/298251209.db2.gz FIKWZTNCLMCRST-JTQLQIEISA-N 0 3 250.298 2.424 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)C1CC1 ZINC000035142407 172008746 /nfs/dbraw/zinc/00/87/46/172008746.db2.gz NZIGZGFVLKTJRZ-SECBINFHSA-N 0 3 250.298 2.492 20 5 CEBDHN O=[N+]([O-])c1cc(CNC2(CCO)CCCC2)cs1 ZINC000285669338 196360808 /nfs/dbraw/zinc/36/08/08/196360808.db2.gz ZQCJCXLTEJBINQ-UHFFFAOYSA-N 0 3 270.354 2.441 20 5 CEBDHN CCN1CCC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040502794 174298770 /nfs/dbraw/zinc/29/87/70/174298770.db2.gz FTWQFLCVEBOGAW-CQSZACIVSA-N 0 3 277.368 2.477 20 5 CEBDHN C[C@H](N[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672577 174370895 /nfs/dbraw/zinc/37/08/95/174370895.db2.gz JVUCEDRWVJHFQB-AAEUAGOBSA-N 0 3 263.341 2.340 20 5 CEBDHN CC(C)[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746914 299020775 /nfs/dbraw/zinc/02/07/75/299020775.db2.gz BSEULLNOKGAGME-JSGCOSHPSA-N 0 3 264.325 2.189 20 5 CEBDHN CON1CCC(N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453610737 263281375 /nfs/dbraw/zinc/28/13/75/263281375.db2.gz YLMMXVZXOLFOKB-UHFFFAOYSA-N 0 3 279.340 2.052 20 5 CEBDHN CN(C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000397800497 270355209 /nfs/dbraw/zinc/35/52/09/270355209.db2.gz LGZMWMVDEMLMAG-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN C[C@H]1C[C@@H](CO)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645448 270360084 /nfs/dbraw/zinc/36/00/84/270360084.db2.gz ZGNCQBKINFEHTK-WCQYABFASA-N 0 3 264.325 2.045 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193141 271362364 /nfs/dbraw/zinc/36/23/64/271362364.db2.gz FKMHPDMQZWICND-HNNXBMFYSA-N 0 3 294.351 2.340 20 5 CEBDHN COCCN1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269928506 274026656 /nfs/dbraw/zinc/02/66/56/274026656.db2.gz MRCLAGWBQVBNLK-UHFFFAOYSA-N 0 3 293.367 2.062 20 5 CEBDHN C[C@@H](CN(C)C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235119253 274212567 /nfs/dbraw/zinc/21/25/67/274212567.db2.gz ADXYQUOMGRVKKF-ZETCQYMHSA-N 0 3 292.261 2.371 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971908 276471106 /nfs/dbraw/zinc/47/11/06/276471106.db2.gz DQGZKZQORLFWEL-NJZAAPMLSA-N 0 3 294.351 2.439 20 5 CEBDHN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCCC[C@H]1C ZINC000048559510 278287425 /nfs/dbraw/zinc/28/74/25/278287425.db2.gz QEYYACHUZIGROW-MNOVXSKESA-N 0 3 281.360 2.003 20 5 CEBDHN C[C@H](C[S@@](C)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280421 279374585 /nfs/dbraw/zinc/37/45/85/279374585.db2.gz XGLVGDKKHRWUMV-QVYZXLCWSA-N 0 3 296.392 2.329 20 5 CEBDHN C[C@@H](CO)[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077420999 279681276 /nfs/dbraw/zinc/68/12/76/279681276.db2.gz PVUWDFWOMUMULR-IUCAKERBSA-N 0 3 272.732 2.355 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000134627010 280027421 /nfs/dbraw/zinc/02/74/21/280027421.db2.gz YTOAPCZQJBDZAI-FRRDWIJNSA-N 0 3 276.336 2.491 20 5 CEBDHN CC(C)NC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134822399 280031188 /nfs/dbraw/zinc/03/11/88/280031188.db2.gz LVZALSSVZSEWCX-NSHDSACASA-N 0 3 279.340 2.160 20 5 CEBDHN Cc1cc(C(=O)N(CCN(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000151905883 280320853 /nfs/dbraw/zinc/32/08/53/280320853.db2.gz CEHGNBITLGJTOZ-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000249059080 280381797 /nfs/dbraw/zinc/38/17/97/280381797.db2.gz HLCNMVXNSVKCBS-SMDDNHRTSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C2CC2)c1 ZINC000274603515 281007623 /nfs/dbraw/zinc/00/76/23/281007623.db2.gz UNJDNYZHCQNKCJ-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](C)(C(N)=O)C1 ZINC000361558734 281022740 /nfs/dbraw/zinc/02/27/40/281022740.db2.gz YJTJMOPVJJXQIC-NHYWBVRUSA-N 0 3 291.351 2.162 20 5 CEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CC[C@H]2O)o1 ZINC000424205301 281135198 /nfs/dbraw/zinc/13/51/98/281135198.db2.gz UYMYANHWCNFIFY-TZMCWYRMSA-N 0 3 288.303 2.468 20 5 CEBDHN CCOc1ccc([C@H](C)NCCOC)cc1[N+](=O)[O-] ZINC000152550167 289092627 /nfs/dbraw/zinc/09/26/27/289092627.db2.gz RHQYZJBDPOYVGI-JTQLQIEISA-N 0 3 268.313 2.291 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391401 290134563 /nfs/dbraw/zinc/13/45/63/290134563.db2.gz UVTOYIVAKJNKNZ-WCQYABFASA-N 0 3 291.351 2.080 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(C3CC3)cc2)c1 ZINC000459442500 290149648 /nfs/dbraw/zinc/14/96/48/290149648.db2.gz MBOFZBWUJQAPKV-UHFFFAOYSA-N 0 3 286.335 2.459 20 5 CEBDHN Cc1ccc(CNC2(CO)CCSCC2)cc1[N+](=O)[O-] ZINC000459721086 290216591 /nfs/dbraw/zinc/21/65/91/290216591.db2.gz GZMTYYWSLLTUMA-UHFFFAOYSA-N 0 3 296.392 2.251 20 5 CEBDHN CC(C)[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1C ZINC000487939335 290367978 /nfs/dbraw/zinc/36/79/78/290367978.db2.gz AJUHRLKJKRLKNI-LBPRGKRZSA-N 0 3 283.397 2.428 20 5 CEBDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000541597177 298281739 /nfs/dbraw/zinc/28/17/39/298281739.db2.gz NPTRSMDKQZXUOZ-JTQLQIEISA-N 0 3 289.335 2.454 20 5 CEBDHN C[C@H](CC(C)(C)O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296504589 298324699 /nfs/dbraw/zinc/32/46/99/298324699.db2.gz PGLUEVOXGQNJBU-ZJUUUORDSA-N 0 3 281.356 2.377 20 5 CEBDHN Cc1ccnc(N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000294901045 302272340 /nfs/dbraw/zinc/27/23/40/302272340.db2.gz IESQBDKPXXDWMW-NSHDSACASA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[C@H]1O ZINC000571514064 314094397 /nfs/dbraw/zinc/09/43/97/314094397.db2.gz XEIMUJDFZPKXQH-ZLKJLUDKSA-N 0 3 264.325 2.467 20 5 CEBDHN CC[C@@H]1CN(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574149569 314190279 /nfs/dbraw/zinc/19/02/79/314190279.db2.gz JFYZTJKGOLKTRG-SNVBAGLBSA-N 0 3 289.339 2.002 20 5 CEBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842353 314316585 /nfs/dbraw/zinc/31/65/85/314316585.db2.gz GNYMMAYLSHHUCO-GXFFZTMASA-N 0 3 294.330 2.192 20 5 CEBDHN CCOc1cc(CN2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000577009225 314332468 /nfs/dbraw/zinc/33/24/68/314332468.db2.gz XFDZZXSUTPXSGP-HNNXBMFYSA-N 0 3 294.351 2.340 20 5 CEBDHN CC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](C)O ZINC000577389107 314372236 /nfs/dbraw/zinc/37/22/36/314372236.db2.gz VUNMTCRLGOIBND-TVYUQYBPSA-N 0 3 264.325 2.331 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@@](C)(O)C1 ZINC000577485743 314381693 /nfs/dbraw/zinc/38/16/93/314381693.db2.gz YXVVOECNEPCORB-GYSYKLTISA-N 0 3 264.325 2.467 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000582608511 322487942 /nfs/dbraw/zinc/48/79/42/322487942.db2.gz ISESHLIUDUMKNC-FZMZJTMJSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1ccc(CN[C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418131055 534090226 /nfs/dbraw/zinc/09/02/26/534090226.db2.gz HIMIIQREUGBXFK-LBPRGKRZSA-N 0 3 299.321 2.332 20 5 CEBDHN CC[C@@H](N[C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280535 522935879 /nfs/dbraw/zinc/93/58/79/522935879.db2.gz QWWYPBBVKYGGTC-FTNGCUSPSA-N 0 3 284.381 2.403 20 5 CEBDHN Cc1c(CN[C@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000149573506 525730147 /nfs/dbraw/zinc/73/01/47/525730147.db2.gz GQGJQDMUQMBRDS-JQWIXIFHSA-N 0 3 250.298 2.170 20 5 CEBDHN CCN(CCC1CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000355034136 528425278 /nfs/dbraw/zinc/42/52/78/528425278.db2.gz KRLWTIMYDVHPRG-UHFFFAOYSA-N 0 3 291.351 2.316 20 5 CEBDHN C[C@@H](N[C@@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047938 575147418 /nfs/dbraw/zinc/14/74/18/575147418.db2.gz UHUFRZDVGDFWCP-SKDRFNHKSA-N 0 3 250.298 2.016 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813099746 623016942 /nfs/dbraw/zinc/01/69/42/623016942.db2.gz BTJXKQFPELJMMW-GXFFZTMASA-N 0 3 263.293 2.315 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1ccccc1)[N+](=O)[O-] ZINC000813103159 623019560 /nfs/dbraw/zinc/01/95/60/623019560.db2.gz YNAYRRZATPISSP-QWRGUYRKSA-N 0 3 251.282 2.074 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(F)cc1F ZINC000813104161 623022575 /nfs/dbraw/zinc/02/25/75/623022575.db2.gz XFLLPCCWHBYKFY-SSDOTTSWSA-N 0 3 259.208 2.095 20 5 CEBDHN CC(COC(=O)[C@H]1CSc2ccccc21)[N+](=O)[O-] ZINC000813108154 623040106 /nfs/dbraw/zinc/04/01/06/623040106.db2.gz BJMNWPLMPWXFIN-WPRPVWTQSA-N 0 3 267.306 2.084 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813109749 623041892 /nfs/dbraw/zinc/04/18/92/623041892.db2.gz VXZLVQTXVPRYHV-SECBINFHSA-N 0 3 269.272 2.312 20 5 CEBDHN CC(COC(=O)c1ccccc1OC1CC1)[N+](=O)[O-] ZINC000813113131 623061315 /nfs/dbraw/zinc/06/13/15/623061315.db2.gz BKZWOKSHQSTGAQ-VIFPVBQESA-N 0 3 265.265 2.050 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN1CCCCC1 ZINC000891792462 623973383 /nfs/dbraw/zinc/97/33/83/623973383.db2.gz IJQTYYYNTWNGLM-NSHDSACASA-N 0 3 294.355 2.285 20 5 CEBDHN Cc1nc(C2CC2)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893044469 627964516 /nfs/dbraw/zinc/96/45/16/627964516.db2.gz JLIUHNVPMVZBOZ-MRVPVSSYSA-N 0 3 264.281 2.089 20 5 CEBDHN CN1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000893939161 629054703 /nfs/dbraw/zinc/05/47/03/629054703.db2.gz IACOTHTVLKHLHX-ZANVPECISA-N 0 3 281.743 2.389 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC[C@@H]1C ZINC000795102003 629441848 /nfs/dbraw/zinc/44/18/48/629441848.db2.gz OIVIUDMZBCZFGO-JTQLQIEISA-N 0 3 281.360 2.016 20 5 CEBDHN CN1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c2cnccc21 ZINC000894878939 629713978 /nfs/dbraw/zinc/71/39/78/629713978.db2.gz NSCKJJLYHGZSKX-TXEJJXNPSA-N 0 3 298.346 2.426 20 5 CEBDHN CC(COC(=O)c1cnc2c(F)cccc2c1)[N+](=O)[O-] ZINC000797281012 630202422 /nfs/dbraw/zinc/20/24/22/630202422.db2.gz OXGHSDCXOAXZCQ-QMMMGPOBSA-N 0 3 278.239 2.196 20 5 CEBDHN CC1=CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000797999140 630798798 /nfs/dbraw/zinc/79/87/98/630798798.db2.gz QQWHFWVUQDXNOR-CQSZACIVSA-N 0 3 262.309 2.280 20 5 CEBDHN CC1(C)CCN(CCNc2ncccc2[N+](=O)[O-])C1 ZINC000897248769 631015360 /nfs/dbraw/zinc/01/53/60/631015360.db2.gz BEXXJOLIBBIZMG-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1C[C@H](CO)C1 ZINC000897355257 631169859 /nfs/dbraw/zinc/16/98/59/631169859.db2.gz KOTDVSIIFTWJBR-JLIMDTESSA-N 0 3 270.716 2.109 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C2CC2)c(Cl)c1 ZINC000898203241 632084258 /nfs/dbraw/zinc/08/42/58/632084258.db2.gz GYPCKAGGFGUMJA-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1ccc([C@@H](C)NCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085882 632454840 /nfs/dbraw/zinc/45/48/40/632454840.db2.gz SIEKWQNNPAYTGV-TZMCWYRMSA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@@H]1CCCN1CCNc1ncc([N+](=O)[O-])cc1F ZINC000840268844 632586363 /nfs/dbraw/zinc/58/63/63/632586363.db2.gz IHBMCAXCEPZJLL-SECBINFHSA-N 0 3 268.292 2.025 20 5 CEBDHN CC(COC(=O)[C@H]1SCCc2ccccc21)[N+](=O)[O-] ZINC000813099691 632620277 /nfs/dbraw/zinc/62/02/77/632620277.db2.gz ANHGGSZKNAFIHB-CABZTGNLSA-N 0 3 281.333 2.225 20 5 CEBDHN Cc1ccnc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813100177 632620599 /nfs/dbraw/zinc/62/05/99/632620599.db2.gz OONAQLHDFBSXDH-JTQLQIEISA-N 0 3 274.276 2.365 20 5 CEBDHN CC(COC(=O)c1cc(F)c(Cl)cc1F)[N+](=O)[O-] ZINC000813103184 632622036 /nfs/dbraw/zinc/62/20/36/632622036.db2.gz YUDHRFRSENZRNX-RXMQYKEDSA-N 0 3 279.626 2.440 20 5 CEBDHN CC(COC(=O)c1cc(Cl)ccc1F)[N+](=O)[O-] ZINC000813103946 632622297 /nfs/dbraw/zinc/62/22/97/632622297.db2.gz VCTXQMXSVPGHPM-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN CC(COC(=O)/C=C/SCc1ccco1)[N+](=O)[O-] ZINC000813103598 632622698 /nfs/dbraw/zinc/62/26/98/632622698.db2.gz RDZTVVGOWHXSRD-DNQSNQRASA-N 0 3 271.294 2.235 20 5 CEBDHN Cc1cc(Cl)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104266 632622918 /nfs/dbraw/zinc/62/29/18/632622918.db2.gz LECDNEDWBCCKCN-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813105505 632623965 /nfs/dbraw/zinc/62/39/65/632623965.db2.gz NKAPZPWKGHNXOW-VIFPVBQESA-N 0 3 296.279 2.081 20 5 CEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OC(C)C ZINC000813107714 632624294 /nfs/dbraw/zinc/62/42/94/632624294.db2.gz UTKRWXOOSQCABR-JTQLQIEISA-N 0 3 297.307 2.304 20 5 CEBDHN Cc1cc(Br)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109645 632626221 /nfs/dbraw/zinc/62/62/21/632626221.db2.gz NMGMELPRWDSSCG-LURJTMIESA-N 0 3 292.085 2.173 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000813113770 632628271 /nfs/dbraw/zinc/62/82/71/632628271.db2.gz VCGHYRGDFCYUOZ-TTZKWOQHSA-N 0 3 294.263 2.207 20 5 CEBDHN Cc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114169 632628537 /nfs/dbraw/zinc/62/85/37/632628537.db2.gz ZOENYSNCYPQBLG-LLVKDONJSA-N 0 3 265.309 2.481 20 5 CEBDHN C[C@@H](Cc1ccccc1Br)NCC[N+](=O)[O-] ZINC000905169235 635867615 /nfs/dbraw/zinc/86/76/15/635867615.db2.gz ONCCEMNVVAKYSI-VIFPVBQESA-N 0 3 287.157 2.246 20 5 CEBDHN CC(COC(=O)c1ccc(OC(F)F)c(F)c1)[N+](=O)[O-] ZINC000816091463 633115652 /nfs/dbraw/zinc/11/56/52/633115652.db2.gz YBYYOXKKXQACDP-ZCFIWIBFSA-N 0 3 293.197 2.249 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092780 634975008 /nfs/dbraw/zinc/97/50/08/634975008.db2.gz LWVWPNOKMBPGGH-CMPLNLGQSA-N 0 3 280.324 2.433 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccc(Br)cc2)CC1 ZINC000905408536 636260585 /nfs/dbraw/zinc/26/05/85/636260585.db2.gz OVMFLNWUXIOZSM-UHFFFAOYSA-N 0 3 299.168 2.347 20 5 CEBDHN CC(C)C[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000042372420 637816785 /nfs/dbraw/zinc/81/67/85/637816785.db2.gz KPPHWYVMKHGZIB-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN Cc1ccc(CNC[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000230206876 639746537 /nfs/dbraw/zinc/74/65/37/639746537.db2.gz NIABJHQEUYMIGU-LBPRGKRZSA-N 0 3 280.324 2.144 20 5 CEBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000845668919 641043173 /nfs/dbraw/zinc/04/31/73/641043173.db2.gz QIUMTOUHAKJNPG-JTQLQIEISA-N 0 3 296.298 2.375 20 5 CEBDHN C[C@@H](CN1CCCC1)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000845670843 641044256 /nfs/dbraw/zinc/04/42/56/641044256.db2.gz FQOOHVFHXLNRAG-NSHDSACASA-N 0 3 278.308 2.236 20 5 CEBDHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000851036558 642889940 /nfs/dbraw/zinc/88/99/40/642889940.db2.gz KJBBYGRHJOGONW-KGYLQXTDSA-N 0 3 263.293 2.307 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877634315 650825236 /nfs/dbraw/zinc/82/52/36/650825236.db2.gz MPPQANGUVZLLAQ-TXEJJXNPSA-N 0 3 292.335 2.253 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1F ZINC000852345544 643401489 /nfs/dbraw/zinc/40/14/89/643401489.db2.gz FMQGSKSULUGWPF-FRRDWIJNSA-N 0 3 294.326 2.327 20 5 CEBDHN Cc1ccc(NCCNCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000922932972 643458328 /nfs/dbraw/zinc/45/83/28/643458328.db2.gz GVOFUTREEZEVEB-UHFFFAOYSA-N 0 3 286.335 2.500 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCO[C@H]1CCOC1 ZINC000922934580 643462728 /nfs/dbraw/zinc/46/27/28/643462728.db2.gz LXGSADFEOKDRSK-ZDUSSCGKSA-N 0 3 294.351 2.107 20 5 CEBDHN COC(=O)[C@]12C[C@H]1C[C@H](NCc1ccccc1[N+](=O)[O-])C2 ZINC000877723335 650871786 /nfs/dbraw/zinc/87/17/86/650871786.db2.gz ZMQDQVNFVUPEQJ-XUJVJEKNSA-N 0 3 290.319 2.026 20 5 CEBDHN C[C@@H]1C[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100867 644325290 /nfs/dbraw/zinc/32/52/90/644325290.db2.gz JJYIPGJNGIPVGB-CHWSQXEVSA-N 0 3 275.352 2.373 20 5 CEBDHN COC(=O)C[C@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754517406 644384400 /nfs/dbraw/zinc/38/44/00/644384400.db2.gz CWWMIXGNBRRMOM-LBPRGKRZSA-N 0 3 278.308 2.026 20 5 CEBDHN CC[S@@](=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943984 645824647 /nfs/dbraw/zinc/82/46/47/645824647.db2.gz NLXGNYXOSBVYAE-JEOXALJRSA-N 0 3 284.381 2.322 20 5 CEBDHN CC[S@](=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943861 645824932 /nfs/dbraw/zinc/82/49/32/645824932.db2.gz NEXOKFXITKSDDD-WYRIXSBYSA-N 0 3 284.381 2.322 20 5 CEBDHN CC(COC(=O)c1ccc(-c2csnn2)cc1)[N+](=O)[O-] ZINC000860777823 645902814 /nfs/dbraw/zinc/90/28/14/645902814.db2.gz WSPZHIJIQMSKIH-MRVPVSSYSA-N 0 3 293.304 2.027 20 5 CEBDHN Cc1ccccc1C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777182 645902880 /nfs/dbraw/zinc/90/28/80/645902880.db2.gz MBOCMFWTFXJREC-NEPJUHHUSA-N 0 3 265.309 2.382 20 5 CEBDHN CC(C)N1CCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000930276544 647854997 /nfs/dbraw/zinc/85/49/97/647854997.db2.gz PUJLMQAOZNACBM-CQSZACIVSA-N 0 3 291.351 2.084 20 5 CEBDHN CO[C@]1(C)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554830 648542455 /nfs/dbraw/zinc/54/24/55/648542455.db2.gz DRWUKTNSDLCMCB-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN CCN1CCC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881746980 651871794 /nfs/dbraw/zinc/87/17/94/651871794.db2.gz MZYMWDFRRCFBNH-VIFPVBQESA-N 0 3 268.292 2.025 20 5 CEBDHN CC[C@H](NCC[S@@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130911615 652354703 /nfs/dbraw/zinc/35/47/03/652354703.db2.gz SQLVDEYLOLMIAS-ORAYPTAESA-N 0 3 284.381 2.404 20 5 CEBDHN O=[N+]([O-])c1cccc(N2CCN(C3CCCC3)CC2)n1 ZINC001165030714 721853893 /nfs/dbraw/zinc/85/38/93/721853893.db2.gz ZQXDXOTVQAUOQX-UHFFFAOYSA-N 0 3 276.340 2.054 20 5 CEBDHN CN1CCC(Oc2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC001233596652 807428096 /nfs/dbraw/zinc/42/80/96/807428096.db2.gz DVRFEKNGHAVGOZ-UHFFFAOYSA-N 0 3 272.251 2.346 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCc1ccns1 ZINC000710008620 809977978 /nfs/dbraw/zinc/97/79/78/809977978.db2.gz GAPWCKFCNQEEOM-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN COc1cccc(F)c1CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976196 811304807 /nfs/dbraw/zinc/30/48/07/811304807.db2.gz ZHSMIIRFQPXBRV-GHMZBOCLSA-N 0 3 282.315 2.369 20 5 CEBDHN NCc1c(F)cccc1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967554 811318477 /nfs/dbraw/zinc/31/84/77/811318477.db2.gz QRJBNVZGDNSBKC-UWVGGRQHSA-N 0 3 267.304 2.142 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOc3ccccc3C2)C1 ZINC001169030365 811344817 /nfs/dbraw/zinc/34/48/17/811344817.db2.gz ZBWJDVHEYUOBOD-OCCSQVGLSA-N 0 3 276.336 2.326 20 5 CEBDHN NCc1ccn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172897590 815539508 /nfs/dbraw/zinc/53/95/08/815539508.db2.gz AQDZZFSEIGXHPZ-CQSZACIVSA-N 0 3 286.335 2.370 20 5 CEBDHN CN1CC(CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC001159222185 813303912 /nfs/dbraw/zinc/30/39/12/813303912.db2.gz JXPKOZWDZMZLMR-UHFFFAOYSA-N 0 3 272.308 2.117 20 5 CEBDHN C[C@H]1COCC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170816439 813441056 /nfs/dbraw/zinc/44/10/56/813441056.db2.gz BXEKTKQLWGUTPP-JOYOIKCWSA-N 0 3 277.324 2.035 20 5 CEBDHN CCN1CC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712597354 814756343 /nfs/dbraw/zinc/75/63/43/814756343.db2.gz XHCSMEDFPDKERB-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN CCOC(=O)CCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714045235 814884260 /nfs/dbraw/zinc/88/42/60/814884260.db2.gz LDAXXWMYLXQHFE-UHFFFAOYSA-N 0 3 280.324 2.288 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601292118 346813988 /nfs/dbraw/zinc/81/39/88/346813988.db2.gz SEGWFVYHJWLQFA-WZRBSPASSA-N 0 3 294.351 2.415 20 5 CEBDHN CCC[C@H](N[C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601304510 346816289 /nfs/dbraw/zinc/81/62/89/346816289.db2.gz QVFANHAOEIONOL-RRFJBIMHSA-N 0 3 294.351 2.175 20 5 CEBDHN C[C@H](NC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000036319357 361841139 /nfs/dbraw/zinc/84/11/39/361841139.db2.gz REUKJLRDFTWKII-JTQLQIEISA-N 0 3 250.298 2.424 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000125594903 187192444 /nfs/dbraw/zinc/19/24/44/187192444.db2.gz VAEFEDYREJPVIC-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN CC(C)N1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000044025145 343467760 /nfs/dbraw/zinc/46/77/60/343467760.db2.gz PWUJBHGWAROTJL-UHFFFAOYSA-N 0 3 295.339 2.133 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2COC[C@@H]2C1 ZINC000601972622 346947057 /nfs/dbraw/zinc/94/70/57/346947057.db2.gz HNXIDOXXNPPFIR-SDDRHHMPSA-N 0 3 262.309 2.234 20 5 CEBDHN O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000060567965 343660668 /nfs/dbraw/zinc/66/06/68/343660668.db2.gz MWTGLIIVQSKJQP-VHSXEESVSA-N 0 3 295.364 2.013 20 5 CEBDHN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](C)O ZINC000083171019 344075444 /nfs/dbraw/zinc/07/54/44/344075444.db2.gz HZMLYLWVUHXCIQ-JTQLQIEISA-N 0 3 293.323 2.327 20 5 CEBDHN CC1(C)CNCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000132815444 344365852 /nfs/dbraw/zinc/36/58/52/344365852.db2.gz DWZSFDZHDSPKHY-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCCC[C@@H]1CO ZINC000157055788 344444952 /nfs/dbraw/zinc/44/49/52/344444952.db2.gz AELQICKNUBKMJQ-CYBMUJFWSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ccc(CNC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000053045315 362478802 /nfs/dbraw/zinc/47/88/02/362478802.db2.gz PSAPMLQRNNXPPJ-UHFFFAOYSA-N 0 3 264.325 2.298 20 5 CEBDHN C[C@H](C[C@H]1CCCC(=O)N1)NCc1ccccc1[N+](=O)[O-] ZINC000602515988 347063886 /nfs/dbraw/zinc/06/38/86/347063886.db2.gz FSFYKAXZFJIAAV-DGCLKSJQSA-N 0 3 291.351 2.132 20 5 CEBDHN Cc1c[nH]nc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589319792 345077422 /nfs/dbraw/zinc/07/74/22/345077422.db2.gz XEISCTVTFGPXOF-UHFFFAOYSA-N 0 3 299.334 2.440 20 5 CEBDHN CC[C@@H](O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000127359800 187299872 /nfs/dbraw/zinc/29/98/72/187299872.db2.gz PFEAREXUJYRNGZ-LLVKDONJSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1C[C@@H](O)C1 ZINC000591473609 345260175 /nfs/dbraw/zinc/26/01/75/345260175.db2.gz IZLABVSGZHLTKR-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](CO)CCF ZINC000593685096 345520741 /nfs/dbraw/zinc/52/07/41/345520741.db2.gz FFYGJNQTJOSMIK-SVTZGKHISA-N 0 3 282.315 2.308 20 5 CEBDHN C[C@@H](NCC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722808 345527707 /nfs/dbraw/zinc/52/77/07/345527707.db2.gz ZAYXZMVFEFBBNY-IUODEOHRSA-N 0 3 294.351 2.177 20 5 CEBDHN CC[C@@H](NC/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595070765 345739639 /nfs/dbraw/zinc/73/96/39/345739639.db2.gz NJUUCQXLIKPBJI-DHCBQETCSA-N 0 3 250.298 2.184 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C[C@@H](O)C12CCC2 ZINC000595089864 345740951 /nfs/dbraw/zinc/74/09/51/345740951.db2.gz PVBNKSQUAOPDFR-AEGPPILISA-N 0 3 288.347 2.475 20 5 CEBDHN CC[C@@H](N[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595103941 345742691 /nfs/dbraw/zinc/74/26/91/345742691.db2.gz PGOJRBYVJFWTHE-RAIGVLPGSA-N 0 3 250.298 2.159 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cnc3n2CCC3)cc1 ZINC000594921729 345702634 /nfs/dbraw/zinc/70/26/34/345702634.db2.gz RZTSZQGSROUXPE-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN COC[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000595295814 345756945 /nfs/dbraw/zinc/75/69/45/345756945.db2.gz SPGLQLANQVAOER-OAHLLOKOSA-N 0 3 296.367 2.467 20 5 CEBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594968959 345719736 /nfs/dbraw/zinc/71/97/36/345719736.db2.gz XZMRPGDFKVMDDW-IZDJOXEWSA-N 0 3 296.392 2.374 20 5 CEBDHN CC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006931 345725405 /nfs/dbraw/zinc/72/54/05/345725405.db2.gz MXSWBEDTMFFOFT-NXEZZACHSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCOC1 ZINC000595018084 345727918 /nfs/dbraw/zinc/72/79/18/345727918.db2.gz PTZNTINSAQKYJU-MNOVXSKESA-N 0 3 280.324 2.291 20 5 CEBDHN CC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039657 345732906 /nfs/dbraw/zinc/73/29/06/345732906.db2.gz UVFJZUGWBFJZHN-KOLCDFICSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[C@@H](C)O ZINC000595044933 345734117 /nfs/dbraw/zinc/73/41/17/345734117.db2.gz ALSOEMNLWKOBLK-MNOVXSKESA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000595633060 345833126 /nfs/dbraw/zinc/83/31/26/345833126.db2.gz KKEFVGBBXUSXLP-VNHYZAJKSA-N 0 3 276.336 2.188 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(COC2)C1 ZINC000595835687 345892481 /nfs/dbraw/zinc/89/24/81/345892481.db2.gz VWOODUBBKQJSJM-NSHDSACASA-N 0 3 262.309 2.378 20 5 CEBDHN Cc1c(CN2C[C@@H](C)C(O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000595750155 345865772 /nfs/dbraw/zinc/86/57/72/345865772.db2.gz PICNAMYPJGELME-GHMZBOCLSA-N 0 3 278.352 2.352 20 5 CEBDHN Cc1c(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595750156 345865898 /nfs/dbraw/zinc/86/58/98/345865898.db2.gz PICNAMYPJGELME-HBYGRHMLSA-N 0 3 278.352 2.352 20 5 CEBDHN C[C@@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757459 345868490 /nfs/dbraw/zinc/86/84/90/345868490.db2.gz JLVXYLFQFWFNJD-TZMCWYRMSA-N 0 3 262.309 2.063 20 5 CEBDHN COc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595757996 345869619 /nfs/dbraw/zinc/86/96/19/345869619.db2.gz LSHBRTNVSHLSGF-IUODEOHRSA-N 0 3 292.335 2.072 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000595808973 345880917 /nfs/dbraw/zinc/88/09/17/345880917.db2.gz PXEZTOJNCJRQCC-GHMZBOCLSA-N 0 3 262.309 2.445 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595872647 345903326 /nfs/dbraw/zinc/90/33/26/345903326.db2.gz KIXYMAZKDPLJLY-RISCZKNCSA-N 0 3 264.325 2.045 20 5 CEBDHN CC[NH+]1CCC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596140387 345949939 /nfs/dbraw/zinc/94/99/39/345949939.db2.gz HKLGGLLKJOEJRN-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN O=[N+]([O-])c1cncc(Cl)c1NCC12CCCN1CCC2 ZINC000596216015 345971822 /nfs/dbraw/zinc/97/18/22/345971822.db2.gz GNVAQRIZMYTKKA-UHFFFAOYSA-N 0 3 296.758 2.105 20 5 CEBDHN Cc1nn(C)c(N[C@@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596486900 346036142 /nfs/dbraw/zinc/03/61/42/346036142.db2.gz BKNFPKSCKFGHPB-NSHDSACASA-N 0 3 295.387 2.169 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597219170 346151968 /nfs/dbraw/zinc/15/19/68/346151968.db2.gz ZVWXAZJHFXDODF-RWBPYIHSSA-N 0 3 290.319 2.149 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000597236176 346157252 /nfs/dbraw/zinc/15/72/52/346157252.db2.gz PCZROVKOVUVQNR-DOMZBBRYSA-N 0 3 278.352 2.354 20 5 CEBDHN CC[C@@H](CO)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142081 199369035 /nfs/dbraw/zinc/36/90/35/199369035.db2.gz QAVVIBSJNBYWDY-LBPRGKRZSA-N 0 3 252.314 2.106 20 5 CEBDHN CC[C@H](CO)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142079 199369566 /nfs/dbraw/zinc/36/95/66/199369566.db2.gz QAVVIBSJNBYWDY-GFCCVEGCSA-N 0 3 252.314 2.106 20 5 CEBDHN CO[C@H]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599015509 346446238 /nfs/dbraw/zinc/44/62/38/346446238.db2.gz GYFKJPKZUDHYSQ-WVSHTKLVSA-N 0 3 268.288 2.249 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCc3nccc(N)c3C2)n1 ZINC000598944216 346436022 /nfs/dbraw/zinc/43/60/22/346436022.db2.gz ZUZCRLUXIWHBMN-UHFFFAOYSA-N 0 3 299.334 2.147 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCN1CC(F)F ZINC000598988383 346442606 /nfs/dbraw/zinc/44/26/06/346442606.db2.gz QWKDARHJQJXHPS-GFCCVEGCSA-N 0 3 299.321 2.414 20 5 CEBDHN C[C@H](NCCN(C)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599090999 346458569 /nfs/dbraw/zinc/45/85/69/346458569.db2.gz VODKCBPWIJYLJI-JTQLQIEISA-N 0 3 287.310 2.442 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCN(CCCF)CC2)cc1 ZINC000599666671 346558475 /nfs/dbraw/zinc/55/84/75/346558475.db2.gz AVDBDDZYXYEZFV-UHFFFAOYSA-N 0 3 295.358 2.115 20 5 CEBDHN C[C@]12CCCC[C@H]1CN2CCn1cc([N+](=O)[O-])cn1 ZINC000599670888 346559184 /nfs/dbraw/zinc/55/91/84/346559184.db2.gz KYZJFLKZFOHXFI-AAEUAGOBSA-N 0 3 264.329 2.056 20 5 CEBDHN CC[C@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000601188488 346781306 /nfs/dbraw/zinc/78/13/06/346781306.db2.gz HLUCPNXUSBLJIN-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN CC[C@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602809349 347208409 /nfs/dbraw/zinc/20/84/09/347208409.db2.gz BGQNDWRKKLHDLW-JQWIXIFHSA-N 0 3 266.345 2.387 20 5 CEBDHN C[C@@H]1CCC[C@H](NCc2cn(C)nc2[N+](=O)[O-])[C@H]1C ZINC000602809317 347208508 /nfs/dbraw/zinc/20/85/08/347208508.db2.gz ATCIQBCTDUTDSN-SCVCMEIPSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCC2)CC1 ZINC000602828574 347215886 /nfs/dbraw/zinc/21/58/86/347215886.db2.gz OGWVVIOIUSGODS-UHFFFAOYSA-N 0 3 278.356 2.366 20 5 CEBDHN C[C@](CO)(NCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000602963536 347258348 /nfs/dbraw/zinc/25/83/48/347258348.db2.gz XQVUCIHFQXIDQM-OAHLLOKOSA-N 0 3 276.336 2.358 20 5 CEBDHN CC[C@@](C)(N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186564 347303316 /nfs/dbraw/zinc/30/33/16/347303316.db2.gz SLOXJVWTBRNJRQ-QMTHXVAHSA-N 0 3 289.339 2.380 20 5 CEBDHN CC[C@@H](N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218947 347311837 /nfs/dbraw/zinc/31/18/37/347311837.db2.gz OGJMYPVVEUEPDS-GXSJLCMTSA-N 0 3 275.312 2.205 20 5 CEBDHN Cc1cc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])s1 ZINC000603419375 347365691 /nfs/dbraw/zinc/36/56/91/347365691.db2.gz NBFBALPXYUOKDW-MRVPVSSYSA-N 0 3 273.383 2.082 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)c(Cl)c1 ZINC000603419320 347365879 /nfs/dbraw/zinc/36/58/79/347365879.db2.gz LPHKZTFCXYIZEI-QMMMGPOBSA-N 0 3 287.772 2.365 20 5 CEBDHN COC[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000610605204 347695572 /nfs/dbraw/zinc/69/55/72/347695572.db2.gz PXFIEMPCJAAKPJ-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccccc1C=CCN1CCc2cn[nH]c2C1 ZINC000611273687 347761942 /nfs/dbraw/zinc/76/19/42/347761942.db2.gz QPHLCBSBYJWKJX-HYXAFXHYSA-N 0 3 284.319 2.389 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H](O)C1CC1 ZINC000611206786 347751108 /nfs/dbraw/zinc/75/11/08/347751108.db2.gz IFYHIGCSDROMCR-IINYFYTJSA-N 0 3 264.325 2.359 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000086683367 179320134 /nfs/dbraw/zinc/32/01/34/179320134.db2.gz LUDPLHBVPSEMHQ-CYBMUJFWSA-N 0 3 252.314 2.355 20 5 CEBDHN Cc1c(CN[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000103958598 185868483 /nfs/dbraw/zinc/86/84/83/185868483.db2.gz WWFDUDOAXQSVOK-GFCCVEGCSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351943330 219257064 /nfs/dbraw/zinc/25/70/64/219257064.db2.gz GBPPCIBVZZVIGU-OLZOCXBDSA-N 0 3 277.368 2.162 20 5 CEBDHN COC(=O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832920 362889184 /nfs/dbraw/zinc/88/91/84/362889184.db2.gz WRKWNQUBHIBKKW-CYBMUJFWSA-N 0 3 292.335 2.022 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273383047 192134630 /nfs/dbraw/zinc/13/46/30/192134630.db2.gz CGQFBTVMUVXENE-GFCCVEGCSA-N 0 3 264.325 2.372 20 5 CEBDHN CCN(CCCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000273425063 192145937 /nfs/dbraw/zinc/14/59/37/192145937.db2.gz KADIHXIZWLDTFN-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN CCOc1cc(CN(C)C[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000617208023 348649694 /nfs/dbraw/zinc/64/96/94/348649694.db2.gz CUENJKBKYQEKRR-CQSZACIVSA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000357388361 233061594 /nfs/dbraw/zinc/06/15/94/233061594.db2.gz INLBGAUYWZOBNU-VXGBXAGGSA-N 0 3 291.351 2.116 20 5 CEBDHN CC(C)[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000092395328 180376970 /nfs/dbraw/zinc/37/69/70/180376970.db2.gz ZSENMPZQVUDSJH-LLVKDONJSA-N 0 3 272.732 2.355 20 5 CEBDHN COc1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048949 186347810 /nfs/dbraw/zinc/34/78/10/186347810.db2.gz SKXDZFOIRJXILH-LLVKDONJSA-N 0 3 277.324 2.252 20 5 CEBDHN CC[C@@H](NC[C@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123177125 187075637 /nfs/dbraw/zinc/07/56/37/187075637.db2.gz CITZOJRSOVBZHX-HUUCEWRRSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000155149561 188186775 /nfs/dbraw/zinc/18/67/75/188186775.db2.gz LRRHTBLXLVWZOD-KOLCDFICSA-N 0 3 268.288 2.249 20 5 CEBDHN CCN(CCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133248861 366207677 /nfs/dbraw/zinc/20/76/77/366207677.db2.gz GSQCHNLKVLZOIG-UHFFFAOYSA-N 0 3 272.732 2.453 20 5 CEBDHN COCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451572604 283038546 /nfs/dbraw/zinc/03/85/46/283038546.db2.gz QRAWRMLTDFROAS-CYBMUJFWSA-N 0 3 264.325 2.421 20 5 CEBDHN COC1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271799258 191333444 /nfs/dbraw/zinc/33/34/44/191333444.db2.gz WFOHZCJGTPROER-CQSZACIVSA-N 0 3 294.351 2.129 20 5 CEBDHN COCCOC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000075948977 363498906 /nfs/dbraw/zinc/49/89/06/363498906.db2.gz QEAXDOFTNIAJJY-CQSZACIVSA-N 0 3 294.351 2.080 20 5 CEBDHN C[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000216395991 540402604 /nfs/dbraw/zinc/40/26/04/540402604.db2.gz UAIPSRUPIHFVGC-TZMCWYRMSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135469032 366443316 /nfs/dbraw/zinc/44/33/16/366443316.db2.gz FHIINLMUKPDNPJ-DCAQKATOSA-N 0 3 252.314 2.262 20 5 CEBDHN CC[C@@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469195 366443813 /nfs/dbraw/zinc/44/38/13/366443813.db2.gz RRGOZTQRBFMJRR-PWSUYJOCSA-N 0 3 252.314 2.406 20 5 CEBDHN O=[N+]([O-])c1ccc2nc(NCCN3CC=CCC3)ccc2c1 ZINC000338713337 366484155 /nfs/dbraw/zinc/48/41/55/366484155.db2.gz QXCYLYBTAGVQDV-UHFFFAOYSA-N 0 3 298.346 2.239 20 5 CEBDHN COc1cc(N2C[C@@H](C)N(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338783964 366520815 /nfs/dbraw/zinc/52/08/15/366520815.db2.gz IWPKHYOMHYJYOY-GHMZBOCLSA-N 0 3 279.340 2.132 20 5 CEBDHN CCN(C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148518783 366582656 /nfs/dbraw/zinc/58/26/56/366582656.db2.gz NGGVLYLLLZXSMO-UHFFFAOYSA-N 0 3 258.709 2.007 20 5 CEBDHN C[C@@H](NCCSCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000151236137 366631605 /nfs/dbraw/zinc/63/16/05/366631605.db2.gz RTISLCQNHYVWHO-LLVKDONJSA-N 0 3 284.381 2.361 20 5 CEBDHN CCOC[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081520195 363726020 /nfs/dbraw/zinc/72/60/20/363726020.db2.gz PPJQHVNRAJKNPL-LBPRGKRZSA-N 0 3 264.325 2.453 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC1(O)CCOCC1 ZINC000178809573 189147723 /nfs/dbraw/zinc/14/77/23/189147723.db2.gz IUVSGIRHTSNTJO-GFCCVEGCSA-N 0 3 294.351 2.129 20 5 CEBDHN CCCCN1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340149277 366783507 /nfs/dbraw/zinc/78/35/07/366783507.db2.gz MTKXIWHHTZBUES-CYBMUJFWSA-N 0 3 292.383 2.478 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000237344677 370713896 /nfs/dbraw/zinc/71/38/96/370713896.db2.gz RIEQKILXVVNLMA-YPMHNXCESA-N 0 3 291.351 2.223 20 5 CEBDHN CC[C@@H](CCO)CNCc1csc([N+](=O)[O-])c1 ZINC000094949831 364315207 /nfs/dbraw/zinc/31/52/07/364315207.db2.gz SAWJBUNBZSXIIE-VIFPVBQESA-N 0 3 258.343 2.155 20 5 CEBDHN CS[C@H](CO)[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303064 299357275 /nfs/dbraw/zinc/35/72/75/299357275.db2.gz XYXDWFKLAIPEIM-LJWDBELGSA-N 0 3 296.392 2.284 20 5 CEBDHN CC[C@@H](Cn1cncn1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524507 366920836 /nfs/dbraw/zinc/92/08/36/366920836.db2.gz ISLSVTCLPABRQX-YPMHNXCESA-N 0 3 289.339 2.316 20 5 CEBDHN Cc1cc(N(C)CCN(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000340804698 367035567 /nfs/dbraw/zinc/03/55/67/367035567.db2.gz TXEVTMQHFGTMRS-UHFFFAOYSA-N 0 3 288.351 2.449 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cc[nH]n3)c2c1 ZINC000583522513 367061756 /nfs/dbraw/zinc/06/17/56/367061756.db2.gz KPUHPGBBERFOJJ-UHFFFAOYSA-N 0 3 285.307 2.132 20 5 CEBDHN C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C ZINC000341207512 367220871 /nfs/dbraw/zinc/22/08/71/367220871.db2.gz TWKZOVBKVAMQFQ-JQWIXIFHSA-N 0 3 292.339 2.199 20 5 CEBDHN C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660330 299368503 /nfs/dbraw/zinc/36/85/03/299368503.db2.gz VNOAEMVSHWPMPI-CYZMBNFOSA-N 0 3 291.351 2.290 20 5 CEBDHN C[C@H](CN(C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168638596 367357390 /nfs/dbraw/zinc/35/73/90/367357390.db2.gz NKGBYYITPMPSHO-MNOVXSKESA-N 0 3 251.330 2.196 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCO1 ZINC000342611354 367449750 /nfs/dbraw/zinc/44/97/50/367449750.db2.gz XYXYGGYBSIGEQX-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000245951215 370893374 /nfs/dbraw/zinc/89/33/74/370893374.db2.gz SPFFYSATAKRKDK-WDEREUQCSA-N 0 3 291.351 2.172 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000173454641 367912273 /nfs/dbraw/zinc/91/22/73/367912273.db2.gz GPORZQHZMATDOK-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN CCOC(=O)C[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000182644581 368574960 /nfs/dbraw/zinc/57/49/60/368574960.db2.gz ZPTSJQIATJSJAB-LLVKDONJSA-N 0 3 280.324 2.368 20 5 CEBDHN CN(CCn1cnc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000185686799 368843929 /nfs/dbraw/zinc/84/39/29/368843929.db2.gz OGCGGVRBTIRGSS-UHFFFAOYSA-N 0 3 278.287 2.062 20 5 CEBDHN CC(C)C[C@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000185324135 368786560 /nfs/dbraw/zinc/78/65/60/368786560.db2.gz RYGOAJPBAXFBEU-CQSZACIVSA-N 0 3 266.341 2.434 20 5 CEBDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000348543026 369080429 /nfs/dbraw/zinc/08/04/29/369080429.db2.gz FCXKKBRMFLHYIR-HNNXBMFYSA-N 0 3 277.368 2.367 20 5 CEBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000348729003 369134544 /nfs/dbraw/zinc/13/45/44/369134544.db2.gz QFIJPHRRPWWWAP-UHFFFAOYSA-N 0 3 296.346 2.460 20 5 CEBDHN C/C=C\C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000349793893 369403243 /nfs/dbraw/zinc/40/32/43/369403243.db2.gz YAAUKICCFFCQLO-DHCBQETCSA-N 0 3 264.325 2.320 20 5 CEBDHN CC(C)OCC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883647 369436897 /nfs/dbraw/zinc/43/68/97/369436897.db2.gz OTGQSYCVSLVQOI-STQMWFEESA-N 0 3 296.367 2.421 20 5 CEBDHN CO[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189296616 369491457 /nfs/dbraw/zinc/49/14/57/369491457.db2.gz LLRPSOPMFQNOKM-WFASDCNBSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1c(-c2noc([C@H]3CCN(C)C3)n2)cccc1[N+](=O)[O-] ZINC000351145271 369612364 /nfs/dbraw/zinc/61/23/64/369612364.db2.gz JMQPAKUYKYPFRP-JTQLQIEISA-N 0 3 288.307 2.372 20 5 CEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000352987257 369970627 /nfs/dbraw/zinc/97/06/27/369970627.db2.gz LESSTJVVPYSNSB-VXGBXAGGSA-N 0 3 278.356 2.087 20 5 CEBDHN C[C@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194360481 370030135 /nfs/dbraw/zinc/03/01/35/370030135.db2.gz NPQZZQFGHRRDRX-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN COc1ccc(CNCCOCC2CC2)cc1[N+](=O)[O-] ZINC000224532387 370280345 /nfs/dbraw/zinc/28/03/45/370280345.db2.gz UWEVFQYWWTUVOS-UHFFFAOYSA-N 0 3 280.324 2.120 20 5 CEBDHN COc1ccc(CNC[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000227374441 370369636 /nfs/dbraw/zinc/36/96/36/370369636.db2.gz UDVVDJNDKNQSSM-LBPRGKRZSA-N 0 3 296.367 2.490 20 5 CEBDHN CCN(CCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000227550974 370373570 /nfs/dbraw/zinc/37/35/70/370373570.db2.gz FSEUHDZOJJSEJP-UHFFFAOYSA-N 0 3 269.370 2.230 20 5 CEBDHN CCC[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000226251995 370331767 /nfs/dbraw/zinc/33/17/67/370331767.db2.gz XLASMBIUMWRFKF-CYBMUJFWSA-N 0 3 252.314 2.236 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000230690262 370464211 /nfs/dbraw/zinc/46/42/11/370464211.db2.gz FEBWHIKZAQHTRJ-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCC[C@@H]1C ZINC000360961106 371564598 /nfs/dbraw/zinc/56/45/98/371564598.db2.gz OREYXNQKCJPGTH-NSHDSACASA-N 0 3 295.387 2.406 20 5 CEBDHN Cc1ncc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000344599100 217243671 /nfs/dbraw/zinc/24/36/71/217243671.db2.gz FUMHLFFLXABDSH-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCC=CO3)CC2)n1 ZINC000369583279 373460924 /nfs/dbraw/zinc/46/09/24/373460924.db2.gz AQZXNMXPGDSJEL-ZDUSSCGKSA-N 0 3 292.339 2.121 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC(C)(C)O ZINC000274794655 374053176 /nfs/dbraw/zinc/05/31/76/374053176.db2.gz ZLNKKMMPVPNRLC-UHFFFAOYSA-N 0 3 252.314 2.154 20 5 CEBDHN COC(=O)C1(CN[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275067658 374144303 /nfs/dbraw/zinc/14/43/03/374144303.db2.gz GKVQKOQBNDBVBZ-SNVBAGLBSA-N 0 3 278.308 2.199 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](C3CC3)C2)c1 ZINC000372854383 374212849 /nfs/dbraw/zinc/21/28/49/374212849.db2.gz CSUFSJUNPISFHD-DZGCQCFKSA-N 0 3 276.336 2.360 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H](CO)C2)cc1 ZINC000374047100 374471894 /nfs/dbraw/zinc/47/18/94/374471894.db2.gz AJSOJZAPTKSEJT-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCC[C@H](CO)C1 ZINC000374051455 374474166 /nfs/dbraw/zinc/47/41/66/374474166.db2.gz RKCKSLQRDRGKJF-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374412063 374566256 /nfs/dbraw/zinc/56/62/56/374566256.db2.gz PPGXYOVQXACGCC-GXTWGEPZSA-N 0 3 276.336 2.453 20 5 CEBDHN CO[C@H]([C@@H](C)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253976 375287395 /nfs/dbraw/zinc/28/73/95/375287395.db2.gz YNWPREJIFYHTKF-QMTHXVAHSA-N 0 3 264.325 2.498 20 5 CEBDHN CC(C)N1CCC(N(C)c2ncc([N+](=O)[O-])s2)CC1 ZINC000282120630 375407716 /nfs/dbraw/zinc/40/77/16/375407716.db2.gz KNIFFANNBBCIQI-UHFFFAOYSA-N 0 3 284.385 2.360 20 5 CEBDHN CN(C)[C@]1(CNc2cc(N)ccc2[N+](=O)[O-])CCSC1 ZINC000282171894 375420045 /nfs/dbraw/zinc/42/00/45/375420045.db2.gz IENXKLMDOPAZRH-ZDUSSCGKSA-N 0 3 296.396 2.026 20 5 CEBDHN CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282443549 375486789 /nfs/dbraw/zinc/48/67/89/375486789.db2.gz RZVMVOCMDKNQSS-TZMCWYRMSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1nccn1CCCNCc1ccccc1[N+](=O)[O-] ZINC000263642525 190071368 /nfs/dbraw/zinc/07/13/68/190071368.db2.gz AIAGGYDBXJQKEL-UHFFFAOYSA-N 0 3 274.324 2.280 20 5 CEBDHN Cc1cc(N2CCN[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420237218 376646295 /nfs/dbraw/zinc/64/62/95/376646295.db2.gz KZDVZGUJFOOHLS-NSHDSACASA-N 0 3 286.335 2.250 20 5 CEBDHN C[C@H](C[C@H]1COCCN1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019218 376936939 /nfs/dbraw/zinc/93/69/39/376936939.db2.gz UTCWBKZOZLFFBF-AGIUHOORSA-N 0 3 293.367 2.012 20 5 CEBDHN COc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330577039 377193308 /nfs/dbraw/zinc/19/33/08/377193308.db2.gz GTLZHNPTJLZGNY-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1ccc(CNCCc2nccnc2C)cc1[N+](=O)[O-] ZINC000293029792 377398610 /nfs/dbraw/zinc/39/86/10/377398610.db2.gz PQPKIUWPJDUWPE-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC000430195664 377527630 /nfs/dbraw/zinc/52/76/30/377527630.db2.gz OWVPYIVTALANGO-MQMHXKEQSA-N 0 3 294.351 2.339 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293530590 377611401 /nfs/dbraw/zinc/61/14/01/377611401.db2.gz WYCBIUKTZBHVTO-TXEJJXNPSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@H](N[C@@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294319992 377978736 /nfs/dbraw/zinc/97/87/36/377978736.db2.gz OHPKBNZXUADGNG-GXFFZTMASA-N 0 3 293.367 2.379 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000443519184 378058615 /nfs/dbraw/zinc/05/86/15/378058615.db2.gz NXQKCCQVSKMWSU-UWVGGRQHSA-N 0 3 284.385 2.360 20 5 CEBDHN Cc1cccc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450598440 378492855 /nfs/dbraw/zinc/49/28/55/378492855.db2.gz QNOPBLUPHYBAKO-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000450780232 378576291 /nfs/dbraw/zinc/57/62/91/378576291.db2.gz PRZXQULEIJFWME-YGRLFVJLSA-N 0 3 279.315 2.183 20 5 CEBDHN C[C@](O)(CNCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000266136087 190233386 /nfs/dbraw/zinc/23/33/86/190233386.db2.gz FMJMGQKKWRFDAR-AWEZNQCLSA-N 0 3 276.292 2.185 20 5 CEBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N(C)C ZINC000298637027 378786184 /nfs/dbraw/zinc/78/61/84/378786184.db2.gz YNUVTRUVGPZLAN-SECBINFHSA-N 0 3 291.307 2.021 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](O)C1 ZINC000347353726 218201807 /nfs/dbraw/zinc/20/18/07/218201807.db2.gz GUJJQKLOGHHHCJ-LDCOFTPGSA-N 0 3 276.336 2.455 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(C)C)C2)c1 ZINC000266402038 190254640 /nfs/dbraw/zinc/25/46/40/190254640.db2.gz PNCPGXQCIOJFET-LLVKDONJSA-N 0 3 279.340 2.498 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000266764670 190279241 /nfs/dbraw/zinc/27/92/41/190279241.db2.gz WOEYGENULHJHOA-NEPJUHHUSA-N 0 3 291.351 2.276 20 5 CEBDHN CCC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000304239157 379534389 /nfs/dbraw/zinc/53/43/89/379534389.db2.gz LGXUDMKKNDYUPO-ZDUSSCGKSA-N 0 3 252.314 2.236 20 5 CEBDHN CCCN1CCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000522243316 379566806 /nfs/dbraw/zinc/56/68/06/379566806.db2.gz PIWYRLRLRNFYRI-AWEZNQCLSA-N 0 3 291.351 2.085 20 5 CEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457083383 379657310 /nfs/dbraw/zinc/65/73/10/379657310.db2.gz JZVQZQYJOTWMIU-AWEZNQCLSA-N 0 3 291.351 2.150 20 5 CEBDHN COC[C@@H](C)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526124410 379706740 /nfs/dbraw/zinc/70/67/40/379706740.db2.gz BHNMDURBHYGNHN-NSHDSACASA-N 0 3 264.325 2.235 20 5 CEBDHN C[C@@H]1C[C@H]1N1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735312 380125677 /nfs/dbraw/zinc/12/56/77/380125677.db2.gz ORKVXUPHKQGXNC-OUCADQQQSA-N 0 3 290.367 2.156 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)C(C)(C)C1 ZINC000550659454 380626935 /nfs/dbraw/zinc/62/69/35/380626935.db2.gz RKPMXYTUSAGUFV-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1N1CCN2CCC[C@H]2C1 ZINC000302815885 285119105 /nfs/dbraw/zinc/11/91/05/285119105.db2.gz KYGGOVNRHMUUJT-NSHDSACASA-N 0 3 265.288 2.018 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCOC1)CCC2 ZINC000193045432 285145283 /nfs/dbraw/zinc/14/52/83/285145283.db2.gz HYHSZIYAOMVNDU-BXUZGUMPSA-N 0 3 262.309 2.351 20 5 CEBDHN COC(=O)[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412103595 533117854 /nfs/dbraw/zinc/11/78/54/533117854.db2.gz LJHNZHUJMTXGNU-HNNXBMFYSA-N 0 3 292.335 2.370 20 5 CEBDHN C[C@@H](O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756295 533624105 /nfs/dbraw/zinc/62/41/05/533624105.db2.gz IQCRGMJAQPYRPC-SNVBAGLBSA-N 0 3 252.314 2.190 20 5 CEBDHN CN(CCN(C)C1CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000302247903 394475160 /nfs/dbraw/zinc/47/51/60/394475160.db2.gz LJOPOOLYOQHZAD-UHFFFAOYSA-N 0 3 284.747 2.174 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413056535 394476112 /nfs/dbraw/zinc/47/61/12/394476112.db2.gz CVSCJOGCPDNWGQ-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN Cc1c(CN2CCC[C@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180761 394498462 /nfs/dbraw/zinc/49/84/62/394498462.db2.gz NOAXQSQZZGDTFA-JSGCOSHPSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000421704793 394570125 /nfs/dbraw/zinc/57/01/25/394570125.db2.gz PUEWYXLCHZMSEV-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCCN1C ZINC000421708314 394572036 /nfs/dbraw/zinc/57/20/36/394572036.db2.gz ZULJRIIGPWATMQ-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000422632911 394722224 /nfs/dbraw/zinc/72/22/24/394722224.db2.gz NKWPKPRXEUOEBN-VXGBXAGGSA-N 0 3 291.351 2.034 20 5 CEBDHN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000273722338 394789411 /nfs/dbraw/zinc/78/94/11/394789411.db2.gz GVQCSZAMNYXWHC-KBPBESRZSA-N 0 3 299.334 2.242 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](C)C1 ZINC000362073419 394843357 /nfs/dbraw/zinc/84/33/57/394843357.db2.gz WJQHOJJZAJVCBB-IJLUTSLNSA-N 0 3 264.325 2.216 20 5 CEBDHN CN(C)CC1(NCc2csc([N+](=O)[O-])c2)CCC1 ZINC000282055826 394903632 /nfs/dbraw/zinc/90/36/32/394903632.db2.gz AZLVMWPCWZWSIA-UHFFFAOYSA-N 0 3 269.370 2.230 20 5 CEBDHN C[C@H]1CSC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000285859126 394974374 /nfs/dbraw/zinc/97/43/74/394974374.db2.gz ILQFZTHRRDOBSD-GXSJLCMTSA-N 0 3 252.339 2.436 20 5 CEBDHN Cc1cc(N[C@H]2CCCN(C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000343535537 395041724 /nfs/dbraw/zinc/04/17/24/395041724.db2.gz QEXGGNVYHBRMNM-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN COCC(C)(C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000291644816 395149068 /nfs/dbraw/zinc/14/90/68/395149068.db2.gz BYXWDGDZUZLMMF-UHFFFAOYSA-N 0 3 298.339 2.071 20 5 CEBDHN CO[C@H](C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519619717 395199037 /nfs/dbraw/zinc/19/90/37/395199037.db2.gz VMQONWSJRHBBRX-BXKDBHETSA-N 0 3 250.298 2.207 20 5 CEBDHN CC[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CC1(C)C ZINC000419315498 395255157 /nfs/dbraw/zinc/25/51/57/395255157.db2.gz JXJBZOYUKRSRIN-VHSXEESVSA-N 0 3 266.345 2.243 20 5 CEBDHN CC[C@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000294016195 395262756 /nfs/dbraw/zinc/26/27/56/395262756.db2.gz YQFSYUBAQVERBQ-GFCCVEGCSA-N 0 3 252.314 2.106 20 5 CEBDHN CC(C)(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192850880 395393736 /nfs/dbraw/zinc/39/37/36/395393736.db2.gz AYQIIQUJRLRUKU-ZDUSSCGKSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCNC[C@](C)(F)C1 ZINC000420336876 395334861 /nfs/dbraw/zinc/33/48/61/395334861.db2.gz QIKBPVVWHMKLAE-FZMZJTMJSA-N 0 3 281.331 2.289 20 5 CEBDHN COc1ccc(CN[C@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955270 395344558 /nfs/dbraw/zinc/34/45/58/395344558.db2.gz SHYUFXCCIKNLAF-NWDGAFQWSA-N 0 3 280.324 2.261 20 5 CEBDHN CCC[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569259230 395575634 /nfs/dbraw/zinc/57/56/34/395575634.db2.gz WRSJWSWFBWKROD-MFKMUULPSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(C)CCC(=O)N1 ZINC000574401900 395629288 /nfs/dbraw/zinc/62/92/88/395629288.db2.gz AOZNWLJODNBVMF-XHDPSFHLSA-N 0 3 291.351 2.223 20 5 CEBDHN CCN1CCC[C@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000574652458 395634591 /nfs/dbraw/zinc/63/45/91/395634591.db2.gz YWWJLOJHGRZOOV-NSHDSACASA-N 0 3 279.340 2.500 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC2(CO)Cc3ccccc3C2)c1 ZINC000369331467 156459122 /nfs/dbraw/zinc/45/91/22/156459122.db2.gz WZGDEESVIMDJEI-UHFFFAOYSA-N 0 3 298.342 2.214 20 5 CEBDHN COc1ccc(CN(C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000171827503 162389293 /nfs/dbraw/zinc/38/92/93/162389293.db2.gz YOPHMKHNQGMOFW-UHFFFAOYSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@@H](CO)[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000167060675 165036887 /nfs/dbraw/zinc/03/68/87/165036887.db2.gz CIKAZPHXJKXUMP-DTWKUNHWSA-N 0 3 272.732 2.355 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CCC1OCCCO1 ZINC000285195823 196219172 /nfs/dbraw/zinc/21/91/72/196219172.db2.gz CRJRZGDEERQNHB-UHFFFAOYSA-N 0 3 294.351 2.222 20 5 CEBDHN COc1ccc(CN[C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735716 172388339 /nfs/dbraw/zinc/38/83/39/172388339.db2.gz YJXXPKQJTUYEIV-MFKMUULPSA-N 0 3 280.324 2.261 20 5 CEBDHN CCC[C@H](NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060720 174071867 /nfs/dbraw/zinc/07/18/67/174071867.db2.gz YBYAZTCATBCVLI-CABCVRRESA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000040676165 174374012 /nfs/dbraw/zinc/37/40/12/174374012.db2.gz KXIRTZPRFVGVDW-NSHDSACASA-N 0 3 293.367 2.030 20 5 CEBDHN COCCOCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044693925 175234474 /nfs/dbraw/zinc/23/44/74/175234474.db2.gz DMYDRGIVMXGESS-GFCCVEGCSA-N 0 3 282.340 2.217 20 5 CEBDHN CCOC[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000044723754 175237266 /nfs/dbraw/zinc/23/72/66/175237266.db2.gz FTJWZGOLRPUKSA-JTQLQIEISA-N 0 3 252.314 2.418 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000071300833 176113656 /nfs/dbraw/zinc/11/36/56/176113656.db2.gz QXUZLEXESUQWFP-NOZJJQNGSA-N 0 3 250.298 2.016 20 5 CEBDHN C[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000077423388 177265938 /nfs/dbraw/zinc/26/59/38/177265938.db2.gz OVAIGVBVIPSSSQ-RKDXNWHRSA-N 0 3 272.732 2.355 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@]3(CCSC3)C2)n1 ZINC000451983072 263018618 /nfs/dbraw/zinc/01/86/18/263018618.db2.gz UNHJKKZCLMYFAY-ZDUSSCGKSA-N 0 3 296.396 2.010 20 5 CEBDHN CC[C@@H](N[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586525 264530176 /nfs/dbraw/zinc/53/01/76/264530176.db2.gz BJJLADXUMHNBAS-GXTWGEPZSA-N 0 3 291.351 2.256 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C(C)(C)C ZINC000430193670 271361869 /nfs/dbraw/zinc/36/18/69/271361869.db2.gz ADUNOHBRNDPTAM-CYBMUJFWSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1nccnc1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000292936515 274862613 /nfs/dbraw/zinc/86/26/13/274862613.db2.gz HMIOMFZTRBVWTB-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCn1cccn1)CCC2 ZINC000192973265 275038328 /nfs/dbraw/zinc/03/83/28/275038328.db2.gz SWAOGOQCQWRYPQ-OAHLLOKOSA-N 0 3 286.335 2.459 20 5 CEBDHN CN1CC[C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000375048485 277146610 /nfs/dbraw/zinc/14/66/10/277146610.db2.gz ILXKXVRRVSTXQM-RNCFNFMXSA-N 0 3 297.305 2.403 20 5 CEBDHN COc1cccc(N2CCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000185102885 278015938 /nfs/dbraw/zinc/01/59/38/278015938.db2.gz OEBFBSBKMNSCCV-UHFFFAOYSA-N 0 3 293.367 2.381 20 5 CEBDHN Cc1cnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286322453 279016991 /nfs/dbraw/zinc/01/69/91/279016991.db2.gz KYUBIYNTGRGUHD-QWHCGFSZSA-N 0 3 290.367 2.361 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971911 279798069 /nfs/dbraw/zinc/79/80/69/279798069.db2.gz DQGZKZQORLFWEL-UXIGCNINSA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCN(C)C2CC2)n1 ZINC000351569414 280398421 /nfs/dbraw/zinc/39/84/21/280398421.db2.gz USKHIOAAQCKKNO-UHFFFAOYSA-N 0 3 278.356 2.137 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000264466175 280664698 /nfs/dbraw/zinc/66/46/98/280664698.db2.gz LUQWYOUPLHNGPI-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000173482220 281008514 /nfs/dbraw/zinc/00/85/14/281008514.db2.gz MSNPULWALLADAK-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN COC(=O)CC1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000424274823 281141606 /nfs/dbraw/zinc/14/16/06/281141606.db2.gz AGFKWQLSFXQDAT-UHFFFAOYSA-N 0 3 278.308 2.026 20 5 CEBDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000252730457 289503792 /nfs/dbraw/zinc/50/37/92/289503792.db2.gz LLISDLAQLODBQN-BFKGZMGPSA-N 0 3 284.381 2.403 20 5 CEBDHN CC[C@@H](C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532291714 298139107 /nfs/dbraw/zinc/13/91/07/298139107.db2.gz SYOXGXMAWOVHEG-GFCCVEGCSA-N 0 3 278.356 2.158 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)Cc1ccco1 ZINC000537316660 298208917 /nfs/dbraw/zinc/20/89/17/298208917.db2.gz BKIUSNHXAFUFHL-GFCCVEGCSA-N 0 3 290.319 2.129 20 5 CEBDHN O=C(CCNC1CC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566556350 299002259 /nfs/dbraw/zinc/00/22/59/299002259.db2.gz LTNQEZLIOZJCMN-UHFFFAOYSA-N 0 3 299.277 2.311 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000543791963 313466494 /nfs/dbraw/zinc/46/64/94/313466494.db2.gz PVDURMJTSQGZRL-CYBMUJFWSA-N 0 3 290.367 2.281 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC1CC1 ZINC000562971368 313705472 /nfs/dbraw/zinc/70/54/72/313705472.db2.gz RDBRNLZPYSSSLT-UHFFFAOYSA-N 0 3 291.351 2.084 20 5 CEBDHN CCO[C@@H]1C[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000571368708 314085331 /nfs/dbraw/zinc/08/53/31/314085331.db2.gz XTUHJKPFQXQZEG-DOFRETIQSA-N 0 3 262.309 2.375 20 5 CEBDHN C[C@@H]1C[C@H](CNCc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414513130 533872115 /nfs/dbraw/zinc/87/21/15/533872115.db2.gz JSAITIZYFMJQRX-NTZNESFSSA-N 0 3 264.325 2.498 20 5 CEBDHN COc1cc(CN[C@@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000355058839 533895135 /nfs/dbraw/zinc/89/51/35/533895135.db2.gz PBAQNGNQFIVQCW-LBPRGKRZSA-N 0 3 282.340 2.100 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000133857649 534211859 /nfs/dbraw/zinc/21/18/59/534211859.db2.gz SCYJORMLNFLHEV-QWRGUYRKSA-N 0 3 280.324 2.397 20 5 CEBDHN CCOCC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736667 520064361 /nfs/dbraw/zinc/06/43/61/520064361.db2.gz LLNCDYGTCMSALR-SMDDNHRTSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1c([C@H](C)NCC(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000183637345 525915207 /nfs/dbraw/zinc/91/52/07/525915207.db2.gz BUWVSKKEPGRWIJ-JTQLQIEISA-N 0 3 279.340 2.065 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)Cc1ccccc1 ZINC000063218442 527401399 /nfs/dbraw/zinc/40/13/99/527401399.db2.gz KGUBJMDECUPQKM-OAHLLOKOSA-N 0 3 286.331 2.288 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CCC(C)C)c1[N+](=O)[O-] ZINC000892425863 625365111 /nfs/dbraw/zinc/36/51/11/625365111.db2.gz BOVDBPDWVIFFSH-UHFFFAOYSA-N 0 3 268.313 2.445 20 5 CEBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(OC)cc1 ZINC000813099905 623017255 /nfs/dbraw/zinc/01/72/55/623017255.db2.gz GXPZBVRTHNTOGZ-MFKMUULPSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)[C@H]1CCCc2sccc21)[N+](=O)[O-] ZINC000813106686 623025786 /nfs/dbraw/zinc/02/57/86/623025786.db2.gz GFSGCOKRBXGQMY-WPRPVWTQSA-N 0 3 269.322 2.376 20 5 CEBDHN CC(COC(=O)c1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813113908 623067280 /nfs/dbraw/zinc/06/72/80/623067280.db2.gz VZHJUEQJVMLUAB-VIFPVBQESA-N 0 3 262.265 2.000 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCCCO ZINC000236499678 625653975 /nfs/dbraw/zinc/65/39/75/625653975.db2.gz LHKSZYSFAMGPKI-UHFFFAOYSA-N 0 3 258.705 2.110 20 5 CEBDHN COc1c(O)ccc(CN[C@H](C)CSC)c1[N+](=O)[O-] ZINC000893005233 627939394 /nfs/dbraw/zinc/93/93/94/627939394.db2.gz RIKOFDODHFWWDB-MRVPVSSYSA-N 0 3 286.353 2.150 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCS2)c1[N+](=O)[O-] ZINC000893110017 628010578 /nfs/dbraw/zinc/01/05/78/628010578.db2.gz FEFZGVRPOUURQI-JTQLQIEISA-N 0 3 298.364 2.294 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CCCCF)c1[N+](=O)[O-] ZINC000894563417 629533598 /nfs/dbraw/zinc/53/35/98/629533598.db2.gz HMBRXSXCBKJVQR-UHFFFAOYSA-N 0 3 272.276 2.148 20 5 CEBDHN COc1cc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737758 630327093 /nfs/dbraw/zinc/32/70/93/630327093.db2.gz YHZVTOUWEPZJDJ-NXEZZACHSA-N 0 3 295.339 2.117 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895995471 630433926 /nfs/dbraw/zinc/43/39/26/630433926.db2.gz QWFWPKNEQKDJRG-SNVBAGLBSA-N 0 3 278.308 2.365 20 5 CEBDHN COC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801539514 631285353 /nfs/dbraw/zinc/28/53/53/631285353.db2.gz HYPJHKFLXMXIRY-GFCCVEGCSA-N 0 3 296.298 2.165 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000041678266 632443337 /nfs/dbraw/zinc/44/33/37/632443337.db2.gz CKGGFXREXKMQRM-UHFFFAOYSA-N 0 3 297.330 2.148 20 5 CEBDHN CC(COC(=O)c1ccc(-c2cnco2)cc1)[N+](=O)[O-] ZINC000813102312 632621476 /nfs/dbraw/zinc/62/14/76/632621476.db2.gz PNERRQJUOQXDDE-SECBINFHSA-N 0 3 276.248 2.164 20 5 CEBDHN CC(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000813103069 632622151 /nfs/dbraw/zinc/62/21/51/632622151.db2.gz MSFNVDNMTDDQHD-SECBINFHSA-N 0 3 252.270 2.027 20 5 CEBDHN Cc1cccc(Cl)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104974 632622476 /nfs/dbraw/zinc/62/24/76/632622476.db2.gz ILXAZKXXVSANBB-VIFPVBQESA-N 0 3 271.700 2.399 20 5 CEBDHN CC(COC(=O)c1ccc([C@@H]2CCCOC2)cc1)[N+](=O)[O-] ZINC000813109719 632626407 /nfs/dbraw/zinc/62/64/07/632626407.db2.gz OFUYTGKKBDQWSN-SMDDNHRTSA-N 0 3 293.319 2.403 20 5 CEBDHN CC(COC(=O)c1ccc(OCC2CC2)cc1)[N+](=O)[O-] ZINC000813110839 632626836 /nfs/dbraw/zinc/62/68/36/632626836.db2.gz KLNLAWMPLIUVSP-JTQLQIEISA-N 0 3 279.292 2.297 20 5 CEBDHN CC(COC(=O)CC1CC(OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813111807 632627897 /nfs/dbraw/zinc/62/78/97/632627897.db2.gz XQDUBVZZYYXHPE-KPPDAEKUSA-N 0 3 273.329 2.179 20 5 CEBDHN Cc1oc2ccccc2c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114194 632628492 /nfs/dbraw/zinc/62/84/92/632628492.db2.gz NETPOUYIWQPLGX-VIFPVBQESA-N 0 3 277.276 2.492 20 5 CEBDHN CC(COC(=O)Cc1ccc(OC(F)F)cc1)[N+](=O)[O-] ZINC000813115626 632629441 /nfs/dbraw/zinc/62/94/41/632629441.db2.gz WSHZGLXGZXQQLS-MRVPVSSYSA-N 0 3 289.234 2.039 20 5 CEBDHN CC(COC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)[N+](=O)[O-] ZINC000813115505 632629587 /nfs/dbraw/zinc/62/95/87/632629587.db2.gz UDANQVJWDUYJPR-GJMOJQLCSA-N 0 3 269.219 2.173 20 5 CEBDHN CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000815183414 632977554 /nfs/dbraw/zinc/97/75/54/632977554.db2.gz VXOILBSSJWLITC-VIFPVBQESA-N 0 3 272.732 2.451 20 5 CEBDHN COc1cc([C@H](C)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056189 634948240 /nfs/dbraw/zinc/94/82/40/634948240.db2.gz RIOYOQFVTLXCHI-GXFFZTMASA-N 0 3 280.324 2.433 20 5 CEBDHN CC[C@H](C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182930 638599546 /nfs/dbraw/zinc/59/95/46/638599546.db2.gz LQDXTXMXCPGTGR-GWCFXTLKSA-N 0 3 291.351 2.247 20 5 CEBDHN CO[C@@H](CNCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000877026283 650536706 /nfs/dbraw/zinc/53/67/06/650536706.db2.gz BNEUNEPTOKNDJA-NSHDSACASA-N 0 3 292.257 2.304 20 5 CEBDHN CN1CCC[C@@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000917347716 640877999 /nfs/dbraw/zinc/87/79/99/640877999.db2.gz WGOXLMUEMONHFH-SNVBAGLBSA-N 0 3 253.327 2.176 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC1CSC1 ZINC000877635235 650826766 /nfs/dbraw/zinc/82/67/66/650826766.db2.gz JVZCRKWUFFMKAR-HWKANZROSA-N 0 3 250.323 2.313 20 5 CEBDHN CCO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858501917 645182202 /nfs/dbraw/zinc/18/22/02/645182202.db2.gz FCMZWIYVVFCEER-FZQKWOKYSA-N 0 3 279.340 2.395 20 5 CEBDHN COC[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521267 645293388 /nfs/dbraw/zinc/29/33/88/645293388.db2.gz LHBIOXXOLSTZDL-QMMMGPOBSA-N 0 3 258.705 2.373 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CC1 ZINC000763064803 645498774 /nfs/dbraw/zinc/49/87/74/645498774.db2.gz DPVFEWRFRWKVPG-AWEZNQCLSA-N 0 3 294.351 2.243 20 5 CEBDHN CC1=CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776594193 647076938 /nfs/dbraw/zinc/07/69/38/647076938.db2.gz YGWKSJNYFRNHRL-CQSZACIVSA-N 0 3 262.309 2.280 20 5 CEBDHN CO[C@@H](C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000785988865 647975862 /nfs/dbraw/zinc/97/58/62/647975862.db2.gz PZDKGKSGSSDTKN-QMMMGPOBSA-N 0 3 258.705 2.373 20 5 CEBDHN COc1cc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000870376453 648788650 /nfs/dbraw/zinc/78/86/50/648788650.db2.gz JUMLAZIQOXTCEB-SECBINFHSA-N 0 3 267.281 2.134 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CC(N)=O ZINC000872043681 649252624 /nfs/dbraw/zinc/25/26/24/649252624.db2.gz KJMULVUASBUPQK-RKDXNWHRSA-N 0 3 297.380 2.231 20 5 CEBDHN COC(=O)C[C@](C)(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000879438060 651304341 /nfs/dbraw/zinc/30/43/41/651304341.db2.gz DZQSEMZRNSEYCN-HNNXBMFYSA-N 0 3 292.335 2.416 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@H](C)N)nn1 ZINC000881365174 651698908 /nfs/dbraw/zinc/69/89/08/651698908.db2.gz NWVCQGOFXOMWPX-UWVGGRQHSA-N 0 3 275.312 2.124 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881803056 651887649 /nfs/dbraw/zinc/88/76/49/651887649.db2.gz YFJKRYNQEQZWLT-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN CCN1CC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356954 652441036 /nfs/dbraw/zinc/44/10/36/652441036.db2.gz ZIMFQRPXIIOVDS-WCQYABFASA-N 0 3 293.367 2.348 20 5 CEBDHN CC(C)=C(F)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125592129 803131480 /nfs/dbraw/zinc/13/14/80/803131480.db2.gz AKKPFBMKBBRUIR-UHFFFAOYSA-N 0 3 295.314 2.064 20 5 CEBDHN CCN1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000892424518 803484197 /nfs/dbraw/zinc/48/41/97/803484197.db2.gz DPFCSVKFRVRGNH-UHFFFAOYSA-N 0 3 294.311 2.035 20 5 CEBDHN C[C@@H](NCCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177072 815022903 /nfs/dbraw/zinc/02/29/03/815022903.db2.gz XKPMIMCAKNQVAL-GFCCVEGCSA-N 0 3 291.351 2.258 20 5 CEBDHN CC1(C)C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)O1 ZINC001168457066 807600698 /nfs/dbraw/zinc/60/06/98/807600698.db2.gz TZJNEFZBIQXDNS-LLVKDONJSA-N 0 3 277.324 2.177 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1NC1(c3cccnn3)CC1)CNC2 ZINC001168516041 807915184 /nfs/dbraw/zinc/91/51/84/807915184.db2.gz RRAIWJJSVCDSCC-UHFFFAOYSA-N 0 3 297.318 2.089 20 5 CEBDHN CC(C)OCCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168681373 808958868 /nfs/dbraw/zinc/95/88/68/808958868.db2.gz YPPJUXFIOURZMZ-UHFFFAOYSA-N 0 3 279.340 2.425 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cn(C)cn1 ZINC000709933160 809976064 /nfs/dbraw/zinc/97/60/64/809976064.db2.gz LKWMRYUTMRCIAZ-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1cc(-n2cnc(CN)c2)nc2ccc([N+](=O)[O-])cc12 ZINC001154906202 810772886 /nfs/dbraw/zinc/77/28/86/810772886.db2.gz DLQBYEXRXXITPU-UHFFFAOYSA-N 0 3 283.291 2.096 20 5 CEBDHN O=C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCC[C@H]12 ZINC001169007585 811332865 /nfs/dbraw/zinc/33/28/65/811332865.db2.gz OIBNIIQAQUOFNJ-CRWXNKLISA-N 0 3 280.368 2.265 20 5 CEBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169009731 811334686 /nfs/dbraw/zinc/33/46/86/811334686.db2.gz XSCWZMXBSNXZOY-RNCFNFMXSA-N 0 3 298.289 2.183 20 5 CEBDHN COc1ccc(C[C@H](C)NCc2cnco2)c([N+](=O)[O-])c1 ZINC001170308271 812392649 /nfs/dbraw/zinc/39/26/49/812392649.db2.gz MKHGXCSNUKKWPL-JTQLQIEISA-N 0 3 291.307 2.312 20 5 CEBDHN C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001158348891 812667778 /nfs/dbraw/zinc/66/77/78/812667778.db2.gz MVBNPAIZUUWQDH-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)CC1 ZINC001173229369 815631216 /nfs/dbraw/zinc/63/12/16/815631216.db2.gz TVVHKPRHASZTBQ-CYBMUJFWSA-N 0 3 289.379 2.306 20 5 CEBDHN COC[C@H]1CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232505 815632987 /nfs/dbraw/zinc/63/29/87/815632987.db2.gz BUXFNGDLZUDCTL-SMDDNHRTSA-N 0 3 264.325 2.247 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601292117 346814029 /nfs/dbraw/zinc/81/40/29/346814029.db2.gz SEGWFVYHJWLQFA-GMXVVIOVSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125230342 187175580 /nfs/dbraw/zinc/17/55/80/187175580.db2.gz JWBRSHATNCCOIN-SMDDNHRTSA-N 0 3 264.325 2.188 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000125252023 187176433 /nfs/dbraw/zinc/17/64/33/187176433.db2.gz VJLQIYHMRCGOPK-QPJJXVBHSA-N 0 3 286.335 2.437 20 5 CEBDHN CC[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430962 178439634 /nfs/dbraw/zinc/43/96/34/178439634.db2.gz CJNOELQXXMBHDK-JTQLQIEISA-N 0 3 258.705 2.109 20 5 CEBDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334954 187233510 /nfs/dbraw/zinc/23/35/10/187233510.db2.gz NUKBKQBXDRKPLK-DGCLKSJQSA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1[N+](=O)[O-] ZINC000126616482 187251063 /nfs/dbraw/zinc/25/10/63/187251063.db2.gz SXROVKXOCJTJQP-PBWFPOADSA-N 0 3 276.336 2.391 20 5 CEBDHN CC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027270904 343392286 /nfs/dbraw/zinc/39/22/86/343392286.db2.gz VXVUFYBMOZJZIO-ZDUSSCGKSA-N 0 3 291.351 2.458 20 5 CEBDHN CC(C)C[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766530 343430632 /nfs/dbraw/zinc/43/06/32/343430632.db2.gz APXYSQTXUNTTLE-ZWNOBZJWSA-N 0 3 279.340 2.145 20 5 CEBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047145551 343512124 /nfs/dbraw/zinc/51/21/24/343512124.db2.gz QOVOJACOPXFNGB-LBPRGKRZSA-N 0 3 291.351 2.057 20 5 CEBDHN CCOc1cc(CN2C[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601974603 346947917 /nfs/dbraw/zinc/94/79/17/346947917.db2.gz TXRHRJXLYSFJIS-BETUJISGSA-N 0 3 292.335 2.072 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000295049946 199319122 /nfs/dbraw/zinc/31/91/22/199319122.db2.gz NISXYGLPJXGGSK-WDEREUQCSA-N 0 3 274.267 2.089 20 5 CEBDHN CN(C)CCn1cc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC000057854557 343639207 /nfs/dbraw/zinc/63/92/07/343639207.db2.gz ZJQGCFUPTWSGBF-UHFFFAOYSA-N 0 3 275.312 2.097 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCC1(O)CCC1 ZINC000411689773 529933979 /nfs/dbraw/zinc/93/39/79/529933979.db2.gz GFBYNJCJAITXOL-UHFFFAOYSA-N 0 3 278.352 2.374 20 5 CEBDHN C[C@H](NCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075036 362331901 /nfs/dbraw/zinc/33/19/01/362331901.db2.gz KZUSTOROGPRAGV-NSHDSACASA-N 0 3 260.297 2.142 20 5 CEBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000089603276 344126153 /nfs/dbraw/zinc/12/61/53/344126153.db2.gz NRQPLBCWMOLRLX-HNNXBMFYSA-N 0 3 291.351 2.260 20 5 CEBDHN CN(C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000090998384 344147814 /nfs/dbraw/zinc/14/78/14/344147814.db2.gz YFJOXDKGOSUABF-UHFFFAOYSA-N 0 3 275.255 2.170 20 5 CEBDHN CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1cccnc1 ZINC000093223609 344216903 /nfs/dbraw/zinc/21/69/03/344216903.db2.gz DVASYQHYXCXMDP-UHFFFAOYSA-N 0 3 289.339 2.097 20 5 CEBDHN C[C@@H]1CCC[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438860 347033929 /nfs/dbraw/zinc/03/39/29/347033929.db2.gz BNQLWCANKALZIV-ZYHUDNBSSA-N 0 3 266.345 2.339 20 5 CEBDHN CCN[C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468123 347044765 /nfs/dbraw/zinc/04/47/65/347044765.db2.gz UGNSTZIXBLFCJI-MNOVXSKESA-N 0 3 279.340 2.078 20 5 CEBDHN C[C@@H](CO)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000121267295 344301652 /nfs/dbraw/zinc/30/16/52/344301652.db2.gz ZIRQJUOMPKKTTA-LLVKDONJSA-N 0 3 264.325 2.188 20 5 CEBDHN O=[N+]([O-])c1cc(CNC2(CO)CCCCC2)cs1 ZINC000053096690 362480831 /nfs/dbraw/zinc/48/08/31/362480831.db2.gz WRYBFTOHQAZYTF-UHFFFAOYSA-N 0 3 270.354 2.441 20 5 CEBDHN CC1(C)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279676056 344673213 /nfs/dbraw/zinc/67/32/13/344673213.db2.gz DWXCAIZGFKKQQL-CQSZACIVSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H]1C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514601 347063617 /nfs/dbraw/zinc/06/36/17/347063617.db2.gz LGSGEMYPDBLKSF-RKDXNWHRSA-N 0 3 261.281 2.482 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(Cc3ccccc3)C2)nc1 ZINC000273216516 192076988 /nfs/dbraw/zinc/07/69/88/192076988.db2.gz URZFAMPXTOBWLX-CYBMUJFWSA-N 0 3 299.334 2.071 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000602569241 347081690 /nfs/dbraw/zinc/08/16/90/347081690.db2.gz PRKCTIQSSQXIBI-SJORKVTESA-N 0 3 298.342 2.385 20 5 CEBDHN CC[C@@H](NC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776077 282362796 /nfs/dbraw/zinc/36/27/96/282362796.db2.gz OCNNNPYLQGXYMN-BMGYJQCNSA-N 0 3 291.351 2.112 20 5 CEBDHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305709 344872080 /nfs/dbraw/zinc/87/20/80/344872080.db2.gz KDHWMTGIGNGTCF-OUAUKWLOSA-N 0 3 250.298 2.423 20 5 CEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273241100 192084252 /nfs/dbraw/zinc/08/42/52/192084252.db2.gz YTBLSTJQWNTQEJ-ZDUSSCGKSA-N 0 3 287.323 2.100 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](O)C1CC1 ZINC000589196422 345070749 /nfs/dbraw/zinc/07/07/49/345070749.db2.gz AOCJKQZYXMSJNQ-CQSZACIVSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1c(CN2CC[C@@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590012833 345109919 /nfs/dbraw/zinc/10/99/19/345109919.db2.gz ZLIZBBQDBSBFLH-HIFRSBDPSA-N 0 3 275.352 2.039 20 5 CEBDHN CC1(C)CN(c2nccc3c2cccc3[N+](=O)[O-])CCN1 ZINC000591444551 345256412 /nfs/dbraw/zinc/25/64/12/345256412.db2.gz PQSJZNZVDDTOLB-UHFFFAOYSA-N 0 3 286.335 2.331 20 5 CEBDHN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c2ncccc12 ZINC000591435520 345253082 /nfs/dbraw/zinc/25/30/82/345253082.db2.gz DONXSUPBVJUFKX-TXEJJXNPSA-N 0 3 298.346 2.474 20 5 CEBDHN Cc1cc(NC2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000591593480 345267488 /nfs/dbraw/zinc/26/74/88/345267488.db2.gz JEGILBNXYWSJCU-UHFFFAOYSA-N 0 3 255.343 2.471 20 5 CEBDHN C[C@@H](NCC[C@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182728 345450362 /nfs/dbraw/zinc/45/03/62/345450362.db2.gz BIBFARNGGUDFIX-IUODEOHRSA-N 0 3 294.351 2.177 20 5 CEBDHN CN(C)CCN(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593466595 345492440 /nfs/dbraw/zinc/49/24/40/345492440.db2.gz YZTXPGMDFOUENN-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cccc3c2CCC3)c1 ZINC000593605095 345512030 /nfs/dbraw/zinc/51/20/30/345512030.db2.gz GRPGXOKDVULSKS-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN COCC1(CNCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594514561 345641494 /nfs/dbraw/zinc/64/14/94/345641494.db2.gz LFDUDUWMMDJQBF-UHFFFAOYSA-N 0 3 264.325 2.419 20 5 CEBDHN CC(C)N(CCc1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000595295687 345756738 /nfs/dbraw/zinc/75/67/38/345756738.db2.gz PCTBWGZHOARUPV-UHFFFAOYSA-N 0 3 289.339 2.166 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCN(C)CC1 ZINC000595003149 345724839 /nfs/dbraw/zinc/72/48/39/345724839.db2.gz FGNRDAYHSYVDDR-NSHDSACASA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CO)CC1CC1 ZINC000595036770 345732103 /nfs/dbraw/zinc/73/21/03/345732103.db2.gz VZPBREAOQLOXOQ-CMPLNLGQSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000595064682 345738247 /nfs/dbraw/zinc/73/82/47/345738247.db2.gz AFEBXJBICZPYSZ-WDEREUQCSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456515 345787695 /nfs/dbraw/zinc/78/76/95/345787695.db2.gz YZPLZQRVHLSCAX-ZANVPECISA-N 0 3 268.288 2.391 20 5 CEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595597494 345821951 /nfs/dbraw/zinc/82/19/51/345821951.db2.gz RSHGOCZRXBFIQU-UHFFFAOYSA-N 0 3 290.323 2.219 20 5 CEBDHN COc1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595828999 345888489 /nfs/dbraw/zinc/88/84/89/345888489.db2.gz GCMCGLRZODHZSE-STQMWFEESA-N 0 3 292.335 2.072 20 5 CEBDHN COc1cc(CN2CC[C@@H]3COC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595828996 345888752 /nfs/dbraw/zinc/88/87/52/345888752.db2.gz GCMCGLRZODHZSE-CHWSQXEVSA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595873246 345902868 /nfs/dbraw/zinc/90/28/68/345902868.db2.gz KWGCBLJJGUSPHA-RISCZKNCSA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1c(CN2C[C@@H](C)[C@@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875174 345904100 /nfs/dbraw/zinc/90/41/00/345904100.db2.gz PYVDYYQHMFDQOK-IAQYHMDHSA-N 0 3 278.352 2.354 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CC3CC2(c2ccccc2)C3)c1 ZINC000595907097 345911169 /nfs/dbraw/zinc/91/11/69/345911169.db2.gz GIZLCIQHIYILLQ-UHFFFAOYSA-N 0 3 298.346 2.412 20 5 CEBDHN CC12CC(C1)CN2CCOc1cccc([N+](=O)[O-])c1 ZINC000595914460 345912114 /nfs/dbraw/zinc/91/21/14/345912114.db2.gz AMMWIPJEDQSRBG-UHFFFAOYSA-N 0 3 262.309 2.458 20 5 CEBDHN CC[C@H](CO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602582193 347088413 /nfs/dbraw/zinc/08/84/13/347088413.db2.gz PHQKGIDQIFJMJT-SNVBAGLBSA-N 0 3 292.257 2.474 20 5 CEBDHN C[NH+](C)CC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596171108 345958753 /nfs/dbraw/zinc/95/87/53/345958753.db2.gz GLAYVTZDHLLJOH-UHFFFAOYSA-N 0 3 294.355 2.228 20 5 CEBDHN Cc1cc(NC[C@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000596091952 345937686 /nfs/dbraw/zinc/93/76/86/345937686.db2.gz QJINUYKGAORVDN-SECBINFHSA-N 0 3 255.343 2.471 20 5 CEBDHN CCN1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596118951 345943940 /nfs/dbraw/zinc/94/39/40/345943940.db2.gz HLBWATRIHZCYRB-UHFFFAOYSA-N 0 3 269.370 2.497 20 5 CEBDHN O=c1[n-]ccc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596257943 345982920 /nfs/dbraw/zinc/98/29/20/345982920.db2.gz DBJDIDAFGSCVEQ-UHFFFAOYSA-N 0 3 292.339 2.124 20 5 CEBDHN Cc1cc(NC[C@@H]2CCN2C(C)(C)C)ncc1[N+](=O)[O-] ZINC000596309293 345995964 /nfs/dbraw/zinc/99/59/64/345995964.db2.gz XRDJKMQMPJSYIB-NSHDSACASA-N 0 3 278.356 2.005 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000597231106 346155804 /nfs/dbraw/zinc/15/58/04/346155804.db2.gz NNYLBEHMMNYRHU-ZIAGYGMSSA-N 0 3 276.336 2.372 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000598342495 346331877 /nfs/dbraw/zinc/33/18/77/346331877.db2.gz NWYPFXQJADBLNF-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCNC/C=C\c1ccccc1[N+](=O)[O-])CC(F)F ZINC000599022179 346447616 /nfs/dbraw/zinc/44/76/16/346447616.db2.gz IOQRJZFOYLWAOU-XQRVVYSFSA-N 0 3 299.321 2.395 20 5 CEBDHN CO[C@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093164 346459279 /nfs/dbraw/zinc/45/92/79/346459279.db2.gz PMUUTLQSOASCMV-GAFUQQFSSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000599110491 346461145 /nfs/dbraw/zinc/46/11/45/346461145.db2.gz UMFHURXCPQGKMJ-OCAPTIKFSA-N 0 3 255.343 2.151 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000599622433 346547284 /nfs/dbraw/zinc/54/72/84/346547284.db2.gz DDCGENSZXHUWOU-DYNIEEOBSA-N 0 3 264.325 2.496 20 5 CEBDHN C/C=C\C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690708 346568627 /nfs/dbraw/zinc/56/86/27/346568627.db2.gz PJZMUESAOFRQPD-ZRMMWKCHSA-N 0 3 278.356 2.470 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600695463 346673370 /nfs/dbraw/zinc/67/33/70/346673370.db2.gz NCFJMMVFONQDMB-VIFPVBQESA-N 0 3 297.742 2.072 20 5 CEBDHN C[C@@H](NC[C@@](C)(O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000336812416 365851659 /nfs/dbraw/zinc/85/16/59/365851659.db2.gz AFRYOVYJMILNAX-QMTHXVAHSA-N 0 3 264.325 2.406 20 5 CEBDHN CC[C@H](C)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149335 346770118 /nfs/dbraw/zinc/77/01/18/346770118.db2.gz LKIIVONGMIBVAG-SMDDNHRTSA-N 0 3 266.341 2.438 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000129370994 365853024 /nfs/dbraw/zinc/85/30/24/365853024.db2.gz RCCOJJGNZJPZJL-MNOVXSKESA-N 0 3 276.340 2.335 20 5 CEBDHN O=[N+]([O-])c1ccc2nccc(N[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000601109681 346755712 /nfs/dbraw/zinc/75/57/12/346755712.db2.gz WUMKOBHXSHQXQL-LLVKDONJSA-N 0 3 298.346 2.214 20 5 CEBDHN C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000602635648 347116416 /nfs/dbraw/zinc/11/64/16/347116416.db2.gz AULVEXLDAJDTQW-IUCAKERBSA-N 0 3 292.364 2.455 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C)[C@H]1C ZINC000602787520 347198219 /nfs/dbraw/zinc/19/82/19/347198219.db2.gz ZCVDMDDYDWPRBJ-WDEREUQCSA-N 0 3 266.345 2.220 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000602744078 347182820 /nfs/dbraw/zinc/18/28/20/347182820.db2.gz OERLUWAGXPMUOU-KWQFWETISA-N 0 3 292.257 2.039 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCC[C@@H]2O)cs1 ZINC000085978265 179208629 /nfs/dbraw/zinc/20/86/29/179208629.db2.gz OHECHIXXRFLPFW-MNOVXSKESA-N 0 3 270.354 2.297 20 5 CEBDHN COc1ccc(CNC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000085985268 179211203 /nfs/dbraw/zinc/21/12/03/179211203.db2.gz NGBUOXQQGUFQKD-TZMCWYRMSA-N 0 3 294.351 2.244 20 5 CEBDHN CC[C@](C)(N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217827 347311794 /nfs/dbraw/zinc/31/17/94/347311794.db2.gz KNCZLSZEVSGOBL-HZMBPMFUSA-N 0 3 289.339 2.380 20 5 CEBDHN O=[N+]([O-])c1ncccc1N1CCN(C2CCCC2)CC1 ZINC000603848703 347391952 /nfs/dbraw/zinc/39/19/52/347391952.db2.gz XMSFYFXWQOSVKF-UHFFFAOYSA-N 0 3 276.340 2.054 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CCO)CC2)cc1 ZINC000609312194 347634244 /nfs/dbraw/zinc/63/42/44/347634244.db2.gz LQPIEDXGYPQCRI-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN C[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])CN1C1CC1 ZINC000610656621 347698854 /nfs/dbraw/zinc/69/88/54/347698854.db2.gz WYBFJHHMGKYILO-ZJUUUORDSA-N 0 3 262.313 2.027 20 5 CEBDHN CC(C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000087018381 179381292 /nfs/dbraw/zinc/38/12/92/179381292.db2.gz KXBNMDJQMVKFAK-UHFFFAOYSA-N 0 3 258.705 2.109 20 5 CEBDHN COc1cc(NCC2=CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000273993273 192392423 /nfs/dbraw/zinc/39/24/23/192392423.db2.gz RUHJWSBLNLDNEC-UHFFFAOYSA-N 0 3 295.314 2.416 20 5 CEBDHN CC1(C)CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000619705904 349225619 /nfs/dbraw/zinc/22/56/19/349225619.db2.gz BWJASBKJWFJUCX-UHFFFAOYSA-N 0 3 277.324 2.265 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000619567063 349199866 /nfs/dbraw/zinc/19/98/66/349199866.db2.gz MKMVFPBEOBDDRA-LLVKDONJSA-N 0 3 297.380 2.213 20 5 CEBDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000089513203 179807678 /nfs/dbraw/zinc/80/76/78/179807678.db2.gz ZHOJTJMEKNZZSF-LBPRGKRZSA-N 0 3 293.367 2.331 20 5 CEBDHN Cc1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000223908506 539736703 /nfs/dbraw/zinc/73/67/03/539736703.db2.gz QRLJSJOBATWARI-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN CCC[C@H](NC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847941 180044120 /nfs/dbraw/zinc/04/41/20/180044120.db2.gz XHZBROFGIDSXBJ-GJZGRUSLSA-N 0 3 294.351 2.177 20 5 CEBDHN CC(C)C(=O)NCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090880822 180052613 /nfs/dbraw/zinc/05/26/13/180052613.db2.gz CZPGZDWZDPMRNI-LBPRGKRZSA-N 0 3 293.367 2.408 20 5 CEBDHN C[C@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071889 233329292 /nfs/dbraw/zinc/32/92/92/233329292.db2.gz HAEHHVABVCVDIE-AAEUAGOBSA-N 0 3 264.325 2.188 20 5 CEBDHN CCc1nn(C)c(N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000091560448 180191670 /nfs/dbraw/zinc/19/16/70/180191670.db2.gz CQGSGEKSRFLDMY-LLVKDONJSA-N 0 3 295.387 2.177 20 5 CEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106879542 186145982 /nfs/dbraw/zinc/14/59/82/186145982.db2.gz ATSQAHQHZOYFEH-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCc1cscn1 ZINC000111626107 186434088 /nfs/dbraw/zinc/43/40/88/186434088.db2.gz MXGXVUFVRBYTLF-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CC(C)(NCC[C@@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000292111946 198167734 /nfs/dbraw/zinc/16/77/34/198167734.db2.gz JCYNNPFHBYKVEU-LLVKDONJSA-N 0 3 292.335 2.373 20 5 CEBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591829 191230892 /nfs/dbraw/zinc/23/08/92/191230892.db2.gz GPVCFIOGVNPMSN-QMTHXVAHSA-N 0 3 261.325 2.489 20 5 CEBDHN CCCCN(CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154207093 188128971 /nfs/dbraw/zinc/12/89/71/188128971.db2.gz KJXSBAMVMYBGDJ-OAHLLOKOSA-N 0 3 296.367 2.377 20 5 CEBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000074136974 363298866 /nfs/dbraw/zinc/29/88/66/363298866.db2.gz YIQQVKXKUGEPFH-AWEZNQCLSA-N 0 3 293.367 2.301 20 5 CEBDHN C[C@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168131164 188646065 /nfs/dbraw/zinc/64/60/65/188646065.db2.gz DLDZRWNRHOAWAN-BDAKNGLRSA-N 0 3 272.732 2.355 20 5 CEBDHN CCOC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541417 219501453 /nfs/dbraw/zinc/50/14/53/219501453.db2.gz XMSUEMFVIOIFGI-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451634580 283059075 /nfs/dbraw/zinc/05/90/75/283059075.db2.gz RUYXKVPKPSOQFL-CORIIIEPSA-N 0 3 275.352 2.292 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCn2cccn2)cs1 ZINC000134477282 366327899 /nfs/dbraw/zinc/32/78/99/366327899.db2.gz RDQLWEKUGFUXDJ-UHFFFAOYSA-N 0 3 266.326 2.033 20 5 CEBDHN Cc1ccc([C@H](C)NCCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000135104179 366396277 /nfs/dbraw/zinc/39/62/77/366396277.db2.gz BGHIPURNSZPAAA-LBPRGKRZSA-N 0 3 293.367 2.469 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000294915981 199245770 /nfs/dbraw/zinc/24/57/70/199245770.db2.gz BERLPXKWVSHYRI-GBIKHYSHSA-N 0 3 250.298 2.250 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2C[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000417407963 237114591 /nfs/dbraw/zinc/11/45/91/237114591.db2.gz UALWJRGEKJMTKF-COPLHBTASA-N 0 3 264.325 2.467 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(O)CCC1 ZINC000579140511 366600873 /nfs/dbraw/zinc/60/08/73/366600873.db2.gz HCGNIAMSBZXWOU-LBPRGKRZSA-N 0 3 262.309 2.087 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](O)C3)o2)c1 ZINC000179950843 189229308 /nfs/dbraw/zinc/22/93/08/189229308.db2.gz FOMGTUDZHUYRQI-CYBMUJFWSA-N 0 3 288.303 2.421 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@@H](CO)C1 ZINC000342242175 216275443 /nfs/dbraw/zinc/27/54/43/216275443.db2.gz IKAXINHISUYOQM-QWHCGFSZSA-N 0 3 278.352 2.483 20 5 CEBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000342364285 216327233 /nfs/dbraw/zinc/32/72/33/216327233.db2.gz VZCFOGAJKQVDCR-MFKMUULPSA-N 0 3 292.339 2.199 20 5 CEBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCCC3)C2)c1 ZINC000282244277 283667046 /nfs/dbraw/zinc/66/70/46/283667046.db2.gz QMCNGRFYYRHZKL-ZDUSSCGKSA-N 0 3 290.367 2.242 20 5 CEBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183382676 189357567 /nfs/dbraw/zinc/35/75/67/189357567.db2.gz SJMIBQRGWHQNDD-HNNXBMFYSA-N 0 3 292.335 2.288 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCc1ccccn1 ZINC000020049622 361575473 /nfs/dbraw/zinc/57/54/73/361575473.db2.gz JLPXICANTHVGFO-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000184783221 189395522 /nfs/dbraw/zinc/39/55/22/189395522.db2.gz UGWWLTIUKQUKCJ-UHFFFAOYSA-N 0 3 294.311 2.033 20 5 CEBDHN CN(C)[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000301974539 201282587 /nfs/dbraw/zinc/28/25/87/201282587.db2.gz AYEIQNSKSOIVGL-SECBINFHSA-N 0 3 255.343 2.187 20 5 CEBDHN CCCCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302135881 201357434 /nfs/dbraw/zinc/35/74/34/201357434.db2.gz AZGLTBAXRJTJDY-LBPRGKRZSA-N 0 3 293.371 2.451 20 5 CEBDHN C[C@H](CCCO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000094943894 364310725 /nfs/dbraw/zinc/31/07/25/364310725.db2.gz IKCFLRMBQNPJIY-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000113199064 364874225 /nfs/dbraw/zinc/87/42/25/364874225.db2.gz JILGCNARXCREJZ-NSHDSACASA-N 0 3 295.339 2.182 20 5 CEBDHN C[C@@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000120171553 365382777 /nfs/dbraw/zinc/38/27/77/365382777.db2.gz LAEAXPJJSZBCAX-YVARQFDVSA-N 0 3 262.309 2.377 20 5 CEBDHN COC(=O)CC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343099961 216657231 /nfs/dbraw/zinc/65/72/31/216657231.db2.gz ADGMHLDSGDEHNI-UHFFFAOYSA-N 0 3 292.335 2.370 20 5 CEBDHN Cc1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000341336643 367290689 /nfs/dbraw/zinc/29/06/89/367290689.db2.gz DWAVWHQHLURYJS-ALCCZGGFSA-N 0 3 286.335 2.440 20 5 CEBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170764259 367407167 /nfs/dbraw/zinc/40/71/67/367407167.db2.gz QXDRRRIVYOLZKJ-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1nc(N[C@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343588294 367902288 /nfs/dbraw/zinc/90/22/88/367902288.db2.gz FWKZEOIIKIBOPP-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN CC[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242206 368001185 /nfs/dbraw/zinc/00/11/85/368001185.db2.gz YTUMFWSWHPYKFL-ZDUSSCGKSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)(C)OC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000174432056 368022606 /nfs/dbraw/zinc/02/26/06/368022606.db2.gz FBVFOLJHNRMTHC-UHFFFAOYSA-N 0 3 280.324 2.416 20 5 CEBDHN CO[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189280740 369488454 /nfs/dbraw/zinc/48/84/54/369488454.db2.gz SOLHSNLHMUHQKE-WFASDCNBSA-N 0 3 294.351 2.330 20 5 CEBDHN COC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417508 369722631 /nfs/dbraw/zinc/72/26/31/369722631.db2.gz QDPOWFODVDROOJ-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000352484949 369752811 /nfs/dbraw/zinc/75/28/11/369752811.db2.gz VPUVILQFGXQYTB-NSHDSACASA-N 0 3 264.325 2.360 20 5 CEBDHN COC(=O)[C@H]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000193501250 369949301 /nfs/dbraw/zinc/94/93/01/369949301.db2.gz RBZYHPLQXLIEFL-NWDGAFQWSA-N 0 3 278.308 2.026 20 5 CEBDHN C[C@H]1CCCCN1CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386479 369936169 /nfs/dbraw/zinc/93/61/69/369936169.db2.gz CJRJGKWFDXQESM-NSHDSACASA-N 0 3 278.356 2.463 20 5 CEBDHN C[C@H](NCCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000219192659 370221295 /nfs/dbraw/zinc/22/12/95/370221295.db2.gz SWXLKEMZFFTDIB-LBPRGKRZSA-N 0 3 295.408 2.294 20 5 CEBDHN C[C@H](NCCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000223476671 370266808 /nfs/dbraw/zinc/26/68/08/370266808.db2.gz VRCAYHMDXOOMCN-LBPRGKRZSA-N 0 3 295.408 2.294 20 5 CEBDHN COc1ccc(CNC[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000227374449 370369979 /nfs/dbraw/zinc/36/99/79/370369979.db2.gz UDVVDJNDKNQSSM-GFCCVEGCSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1c(CN[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000231351232 370478299 /nfs/dbraw/zinc/47/82/99/370478299.db2.gz JSIAZZIYMHPDJD-NSHDSACASA-N 0 3 252.339 2.498 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252890336 371488346 /nfs/dbraw/zinc/48/83/46/371488346.db2.gz HIPOQPPVUHSXRU-NWDGAFQWSA-N 0 3 295.314 2.009 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCCN(C)[C@@H]1C ZINC000359560767 371470386 /nfs/dbraw/zinc/47/03/86/371470386.db2.gz ACMFMPMANFBFFW-GHMZBOCLSA-N 0 3 281.360 2.014 20 5 CEBDHN COc1cc(CNCCCCF)c([N+](=O)[O-])cc1OC ZINC000361080779 371640860 /nfs/dbraw/zinc/64/08/60/371640860.db2.gz MAEJNZCXAAJPGX-UHFFFAOYSA-N 0 3 286.303 2.451 20 5 CEBDHN C[C@@H](NC[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269000886 372311173 /nfs/dbraw/zinc/31/11/73/372311173.db2.gz UUYHONINBHYZDC-MFKMUULPSA-N 0 3 282.365 2.113 20 5 CEBDHN C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327131 217150922 /nfs/dbraw/zinc/15/09/22/217150922.db2.gz JIEGHMWVPWCXHK-IINYFYTJSA-N 0 3 281.331 2.306 20 5 CEBDHN COc1ccc(CNC[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344386818 217178147 /nfs/dbraw/zinc/17/81/47/217178147.db2.gz SKBLCTOONYMMMU-CQSZACIVSA-N 0 3 280.324 2.120 20 5 CEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@H]3CCC=CO3)C2)c1 ZINC000365337984 372830709 /nfs/dbraw/zinc/83/07/09/372830709.db2.gz RNSPJXJUVQBBHE-TZMCWYRMSA-N 0 3 292.339 2.121 20 5 CEBDHN COc1cc(C[NH2+]CC2(C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000344694121 217278773 /nfs/dbraw/zinc/27/87/73/217278773.db2.gz AUSHBTJIUIGJTE-UHFFFAOYSA-N 0 3 266.297 2.199 20 5 CEBDHN CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270949238 373029249 /nfs/dbraw/zinc/02/92/49/373029249.db2.gz SOMTVJQHFHTTLL-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN CCCCN(CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000270984837 373047045 /nfs/dbraw/zinc/04/70/45/373047045.db2.gz FOWYECSXEKXUDS-UHFFFAOYSA-N 0 3 266.341 2.498 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[S@](C)=O ZINC000344849996 217332858 /nfs/dbraw/zinc/33/28/58/217332858.db2.gz HABNPLQMQPCLJF-DBBZSVRUSA-N 0 3 296.392 2.356 20 5 CEBDHN C[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272113091 373310949 /nfs/dbraw/zinc/31/09/49/373310949.db2.gz NZMNNEKMDKMTRY-NSHDSACASA-N 0 3 291.351 2.114 20 5 CEBDHN C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000345055345 217398327 /nfs/dbraw/zinc/39/83/27/217398327.db2.gz YQKGEWCTNXFIKS-LOWVWBTDSA-N 0 3 262.309 2.182 20 5 CEBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000275191065 374181019 /nfs/dbraw/zinc/18/10/19/374181019.db2.gz OWQYUHBUYQNQOH-JTQLQIEISA-N 0 3 276.296 2.048 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334104526 206014047 /nfs/dbraw/zinc/01/40/47/206014047.db2.gz VZYNADZTFFGBRG-RYUDHWBXSA-N 0 3 291.351 2.116 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000373985394 374461663 /nfs/dbraw/zinc/46/16/63/374461663.db2.gz XLTPTVSUTWEMBX-ZFWWWQNUSA-N 0 3 292.335 2.261 20 5 CEBDHN NC(=O)c1ccc(CN2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377544660 374879985 /nfs/dbraw/zinc/87/99/85/374879985.db2.gz OWJYZOUVWPSVFV-CYBMUJFWSA-N 0 3 289.335 2.068 20 5 CEBDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1c([N+](=O)[O-])ncn1C ZINC000408310341 375449516 /nfs/dbraw/zinc/44/95/16/375449516.db2.gz RKZNIFKJGNMHQN-IJLUTSLNSA-N 0 3 278.356 2.481 20 5 CEBDHN C[C@H](NC[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158075 375819627 /nfs/dbraw/zinc/81/96/27/375819627.db2.gz PQZVDAXCMWVWSV-GXSJLCMTSA-N 0 3 265.313 2.007 20 5 CEBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287166889 376163834 /nfs/dbraw/zinc/16/38/34/376163834.db2.gz GUSFFISDQKDDRM-UHFFFAOYSA-N 0 3 295.339 2.136 20 5 CEBDHN C[C@@H](CO)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312669 376186333 /nfs/dbraw/zinc/18/63/33/376186333.db2.gz OBLBBPPQUKHIDH-IINYFYTJSA-N 0 3 264.325 2.333 20 5 CEBDHN COc1ncccc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000289749323 376481512 /nfs/dbraw/zinc/48/15/12/376481512.db2.gz IDPIOIMGJJOBHC-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CN1CCC[C@]2(CCN(c3ccc(N)cc3[N+](=O)[O-])C2)C1 ZINC000292678667 377262041 /nfs/dbraw/zinc/26/20/41/377262041.db2.gz DNIZYAQUKJVVEL-HNNXBMFYSA-N 0 3 290.367 2.099 20 5 CEBDHN Cc1nccnc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000292867579 377322461 /nfs/dbraw/zinc/32/24/61/377322461.db2.gz BDRMKZFSZYNMMQ-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN CC[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293282330 377503263 /nfs/dbraw/zinc/50/32/63/377503263.db2.gz CUVVBGGTXVMAJH-JSGCOSHPSA-N 0 3 264.325 2.333 20 5 CEBDHN CN(C)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000564904549 377499828 /nfs/dbraw/zinc/49/98/28/377499828.db2.gz NJUBXXZPQGVXNB-UHFFFAOYSA-N 0 3 290.367 2.375 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000332225584 377546269 /nfs/dbraw/zinc/54/62/69/377546269.db2.gz KKEFVGBBXUSXLP-YDHLFZDLSA-N 0 3 276.336 2.188 20 5 CEBDHN CC[C@H](CO)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293898512 377814016 /nfs/dbraw/zinc/81/40/16/377814016.db2.gz HCCOUGAJPNJARS-SNVBAGLBSA-N 0 3 272.732 2.451 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(CC[C@H]1CCOC1)CC2 ZINC000438116678 377888438 /nfs/dbraw/zinc/88/84/38/377888438.db2.gz NOTNGDNPQLKACI-LBPRGKRZSA-N 0 3 276.336 2.380 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000294170666 377926827 /nfs/dbraw/zinc/92/68/27/377926827.db2.gz WJWXWOHQJSAQTK-CYBMUJFWSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000296223154 378458550 /nfs/dbraw/zinc/45/85/50/378458550.db2.gz CAIGJVYKQYLYAO-CKYFFXLPSA-N 0 3 250.298 2.250 20 5 CEBDHN C[C@H](Nc1ccc([N+](=O)[O-])nc1)C1=CCN(C)CC1 ZINC000450439025 378418359 /nfs/dbraw/zinc/41/83/59/378418359.db2.gz WQAAPQMYLFENDS-JTQLQIEISA-N 0 3 262.313 2.052 20 5 CEBDHN Cc1ccc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450602153 378494553 /nfs/dbraw/zinc/49/45/53/378494553.db2.gz ZXYRCAPWLAQHQG-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1c(CN[C@H](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000453209538 378828900 /nfs/dbraw/zinc/82/89/00/378828900.db2.gz LPKGYPLYFQKSIC-LLVKDONJSA-N 0 3 286.335 2.414 20 5 CEBDHN CCN1C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337657 378866647 /nfs/dbraw/zinc/86/66/47/378866647.db2.gz ZRIGWMVVYAPXHX-NEPJUHHUSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1c(NC(=O)NC[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000299262360 378946852 /nfs/dbraw/zinc/94/68/52/378946852.db2.gz VWALNXGUPATICP-NSHDSACASA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000278656751 194088173 /nfs/dbraw/zinc/08/81/73/194088173.db2.gz JYIPJOCHQQFMIU-MRVPVSSYSA-N 0 3 260.297 2.359 20 5 CEBDHN Cc1c(CN2CCN(C)CC2(C)C)cccc1[N+](=O)[O-] ZINC000347595615 218284396 /nfs/dbraw/zinc/28/43/96/218284396.db2.gz GWGWWUCKWRUGKZ-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@H]1CSC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000302564041 379397753 /nfs/dbraw/zinc/39/77/53/379397753.db2.gz NDRPJLRXNVETBF-CABZTGNLSA-N 0 3 252.339 2.436 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772990 190279585 /nfs/dbraw/zinc/27/95/85/190279585.db2.gz KEFOSBNSPSCILS-IAQYHMDHSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@H](NC[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772993 190279882 /nfs/dbraw/zinc/27/98/82/190279882.db2.gz KEFOSBNSPSCILS-XHDPSFHLSA-N 0 3 294.351 2.033 20 5 CEBDHN CCC[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000304239156 379534135 /nfs/dbraw/zinc/53/41/35/379534135.db2.gz LGXUDMKKNDYUPO-CYBMUJFWSA-N 0 3 252.314 2.236 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)C(C)C ZINC000304071206 379520690 /nfs/dbraw/zinc/52/06/90/379520690.db2.gz VLHWEOQZOGHEFZ-OAHLLOKOSA-N 0 3 296.367 2.490 20 5 CEBDHN CN(C)CCN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000267000587 190296243 /nfs/dbraw/zinc/29/62/43/190296243.db2.gz FLGRVHBHPKCGPN-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN CCc1ccc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457211295 379715231 /nfs/dbraw/zinc/71/52/31/379715231.db2.gz REBPCBLKSNLENU-UHFFFAOYSA-N 0 3 293.367 2.227 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C)cc([N+](=O)[O-])c1 ZINC000268220547 190387655 /nfs/dbraw/zinc/38/76/55/190387655.db2.gz WQOAXVFSMBPUBI-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN Cn1ccnc1CNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000554723511 380791932 /nfs/dbraw/zinc/79/19/32/380791932.db2.gz HQJLOBVJLJSIEV-UHFFFAOYSA-N 0 3 299.334 2.142 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[C@H](C)O ZINC000350454861 219022888 /nfs/dbraw/zinc/02/28/88/219022888.db2.gz GBJSIKDKBSGRNG-MNOVXSKESA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000408464377 285172756 /nfs/dbraw/zinc/17/27/56/285172756.db2.gz FDCFMEHUDQSQRT-LLVKDONJSA-N 0 3 294.330 2.194 20 5 CEBDHN C[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000094798143 184866500 /nfs/dbraw/zinc/86/65/00/184866500.db2.gz DLGWYSTWRRQSRV-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN CCC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000226249539 130821800 /nfs/dbraw/zinc/82/18/00/130821800.db2.gz UAQTWWPOFMHRPO-ZDUSSCGKSA-N 0 3 252.314 2.236 20 5 CEBDHN Cc1sc(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000263920673 131361212 /nfs/dbraw/zinc/36/12/12/131361212.db2.gz ORCQUSOWYKITBT-SNVBAGLBSA-N 0 3 297.380 2.131 20 5 CEBDHN CN(C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413026186 394466775 /nfs/dbraw/zinc/46/67/75/394466775.db2.gz TWYJGCVIAVXBMZ-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCCC2(O)CCC2)c1 ZINC000421374592 394516033 /nfs/dbraw/zinc/51/60/33/394516033.db2.gz OAPHUYHOWYFYIS-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN CCCN1C[C@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000421355480 394508889 /nfs/dbraw/zinc/50/88/89/394508889.db2.gz UMKROGBFZQEMFN-JTQLQIEISA-N 0 3 297.380 2.004 20 5 CEBDHN CC1(C)CCCN1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413328038 394527404 /nfs/dbraw/zinc/52/74/04/394527404.db2.gz WSUQEOQBFWEPSG-UHFFFAOYSA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(O)C1 ZINC000267294435 394675851 /nfs/dbraw/zinc/67/58/51/394675851.db2.gz AQOWPBIAMKUSRA-GWCFXTLKSA-N 0 3 250.298 2.113 20 5 CEBDHN COC[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719690 394834131 /nfs/dbraw/zinc/83/41/31/394834131.db2.gz MCIMRLUEBFQNFB-DZGCQCFKSA-N 0 3 294.351 2.223 20 5 CEBDHN COC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278881246 394837996 /nfs/dbraw/zinc/83/79/96/394837996.db2.gz SOEVOKJTNYNEIT-BYCMXARLSA-N 0 3 294.351 2.439 20 5 CEBDHN COCCN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000364368917 394893869 /nfs/dbraw/zinc/89/38/69/394893869.db2.gz SLGQZFDHRIFASZ-UHFFFAOYSA-N 0 3 291.351 2.221 20 5 CEBDHN Cc1c(CN2CCCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000374035044 395070927 /nfs/dbraw/zinc/07/09/27/395070927.db2.gz BQGODCZALMFAKP-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN CN1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375048487 395090008 /nfs/dbraw/zinc/09/00/08/395090008.db2.gz ILXKXVRRVSTXQM-TVQRCGJNSA-N 0 3 297.305 2.403 20 5 CEBDHN CN1CC[C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000375048488 395090395 /nfs/dbraw/zinc/09/03/95/395090395.db2.gz ILXKXVRRVSTXQM-ZANVPECISA-N 0 3 297.305 2.403 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000292869996 395208048 /nfs/dbraw/zinc/20/80/48/395208048.db2.gz SXSVMVWNQGEFFN-HNNXBMFYSA-N 0 3 290.367 2.220 20 5 CEBDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678359 395281994 /nfs/dbraw/zinc/28/19/94/395281994.db2.gz SHXZWVQWSUDYRK-GXFFZTMASA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H]1C[C@@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358230 395298616 /nfs/dbraw/zinc/29/86/16/395298616.db2.gz DQLGFKROSCVHBZ-RYUDHWBXSA-N 0 3 291.351 2.163 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C(C)C)C1 ZINC000192535281 395386561 /nfs/dbraw/zinc/38/65/61/395386561.db2.gz HDWUAALLDZSHTJ-NSHDSACASA-N 0 3 281.360 2.014 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@@H]1CCCN1C ZINC000420629160 395393022 /nfs/dbraw/zinc/39/30/22/395393022.db2.gz CAMJAKFIBCEEGD-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN COc1ccc(CN[C@@H]2CC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955255 395344856 /nfs/dbraw/zinc/34/48/56/395344856.db2.gz SHYUFXCCIKNLAF-VXGBXAGGSA-N 0 3 280.324 2.261 20 5 CEBDHN CC(C)O[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000565654217 395479465 /nfs/dbraw/zinc/47/94/65/395479465.db2.gz JBVZPNILVJPAJJ-OAHLLOKOSA-N 0 3 294.351 2.473 20 5 CEBDHN C[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000221345465 153312813 /nfs/dbraw/zinc/31/28/13/153312813.db2.gz SKVARISTZUAVEB-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000230316619 153391628 /nfs/dbraw/zinc/39/16/28/153391628.db2.gz BTDIJVXDQGROHS-KBPBESRZSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@](C)(C(N)=O)C1 ZINC000361558729 292295513 /nfs/dbraw/zinc/29/55/13/292295513.db2.gz YJTJMOPVJJXQIC-ABAIWWIYSA-N 0 3 291.351 2.162 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](O)CC1 ZINC000354748451 154349053 /nfs/dbraw/zinc/34/90/53/154349053.db2.gz QICPKDPRTFPVDM-JHAQOBCDSA-N 0 3 276.336 2.455 20 5 CEBDHN CO[C@@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430906 155010083 /nfs/dbraw/zinc/01/00/83/155010083.db2.gz SVRSMIWLJHJCIT-SWLSCSKDSA-N 0 3 294.351 2.359 20 5 CEBDHN CO[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363677220 156039569 /nfs/dbraw/zinc/03/95/69/156039569.db2.gz RAYLCZJPWCKXNL-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN CC(C)[C@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000368681812 156384823 /nfs/dbraw/zinc/38/48/23/156384823.db2.gz BFBFPCCVYUAKJH-OAHLLOKOSA-N 0 3 278.352 2.435 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC1CC(N2CCCCC2)C1 ZINC000376013933 157175204 /nfs/dbraw/zinc/17/52/04/157175204.db2.gz KPDSOYSJEYRINB-UHFFFAOYSA-N 0 3 276.340 2.419 20 5 CEBDHN COc1ccc(CNCC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000160139756 162323629 /nfs/dbraw/zinc/32/36/29/162323629.db2.gz WVCXCWJKQLCEQK-UHFFFAOYSA-N 0 3 294.351 2.246 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000020208250 171071923 /nfs/dbraw/zinc/07/19/23/171071923.db2.gz MJYFAOYSQQNFOA-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1nccn1CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285351870 196257772 /nfs/dbraw/zinc/25/77/72/196257772.db2.gz PPTHNBSKENVXFM-UHFFFAOYSA-N 0 3 288.351 2.274 20 5 CEBDHN C[C@H]1COCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000285471929 196294248 /nfs/dbraw/zinc/29/42/48/196294248.db2.gz KOGNKYSBLSVCIA-ONGXEEELSA-N 0 3 270.354 2.419 20 5 CEBDHN CCC[C@@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471737 196295044 /nfs/dbraw/zinc/29/50/44/196295044.db2.gz HOENNODEJBGWLC-LSDHHAIUSA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000070479438 175951881 /nfs/dbraw/zinc/95/18/81/175951881.db2.gz IVOWSWUIEJPJPK-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cc2ccccc2)cc1 ZINC000076519758 177032052 /nfs/dbraw/zinc/03/20/52/177032052.db2.gz CFZZAFUBSHLXED-INIZCTEOSA-N 0 3 286.331 2.288 20 5 CEBDHN C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000517757573 260216314 /nfs/dbraw/zinc/21/63/14/260216314.db2.gz TWMBSKZEBCPWTR-BREBYQMCSA-N 0 3 262.309 2.349 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2ccncc2)cc1 ZINC000038079407 270225819 /nfs/dbraw/zinc/22/58/19/270225819.db2.gz ZOPLQYGPZIQGEL-UHFFFAOYSA-N 0 3 273.292 2.158 20 5 CEBDHN CC[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000322548080 270335044 /nfs/dbraw/zinc/33/50/44/270335044.db2.gz UYGTZDSFRRCBKG-ZDUSSCGKSA-N 0 3 252.314 2.500 20 5 CEBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000397796297 270355076 /nfs/dbraw/zinc/35/50/76/270355076.db2.gz UBRUURXIASZLAN-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CC[C@H]3O)o2)c1 ZINC000424194044 271030196 /nfs/dbraw/zinc/03/01/96/271030196.db2.gz AGUMTEFRMNCESK-ZIAGYGMSSA-N 0 3 288.303 2.468 20 5 CEBDHN CCC1(CC)[C@@H](NCc2c([N+](=O)[O-])ncn2C)C[C@@H]1OC ZINC000429292610 271319685 /nfs/dbraw/zinc/31/96/85/271319685.db2.gz XJAXRPRZUAQUCR-RYUDHWBXSA-N 0 3 296.371 2.012 20 5 CEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000131785182 274255611 /nfs/dbraw/zinc/25/56/11/274255611.db2.gz TYGHHZPXJZZGGX-MXWKQRLJSA-N 0 3 252.314 2.262 20 5 CEBDHN CCN(CCNC(=O)c1cc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000173503944 276130103 /nfs/dbraw/zinc/13/01/03/276130103.db2.gz FRSNHGFSYIHUPJ-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272178143 277147158 /nfs/dbraw/zinc/14/71/58/277147158.db2.gz JTBBWMCDPAUKKP-YGRLFVJLSA-N 0 3 279.315 2.264 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000364308488 277147220 /nfs/dbraw/zinc/14/72/20/277147220.db2.gz OSZBRTMARFCWST-RISCZKNCSA-N 0 3 261.325 2.125 20 5 CEBDHN C[C@@H](CO)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312668 278290634 /nfs/dbraw/zinc/29/06/34/278290634.db2.gz OBLBBPPQUKHIDH-HZMBPMFUSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000262848343 279037099 /nfs/dbraw/zinc/03/70/99/279037099.db2.gz YYKYOXHTFSLKBQ-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCC[C@@H]1CCO ZINC000429762423 281253024 /nfs/dbraw/zinc/25/30/24/281253024.db2.gz PUBLHPWGQAEREC-MFKMUULPSA-N 0 3 282.315 2.375 20 5 CEBDHN CN(C)C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000268178388 289211781 /nfs/dbraw/zinc/21/17/81/289211781.db2.gz MYCLKMLOANPXEB-LLVKDONJSA-N 0 3 267.304 2.264 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000459784565 290238651 /nfs/dbraw/zinc/23/86/51/290238651.db2.gz XLCOEYMDRRUMAU-OLZOCXBDSA-N 0 3 280.324 2.261 20 5 CEBDHN CC(C)[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566746918 299021213 /nfs/dbraw/zinc/02/12/13/299021213.db2.gz BSEULLNOKGAGME-OCCSQVGLSA-N 0 3 264.325 2.189 20 5 CEBDHN CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000062351241 521021602 /nfs/dbraw/zinc/02/16/02/521021602.db2.gz KUEMYSAUQKDUOS-AWEZNQCLSA-N 0 3 264.325 2.360 20 5 CEBDHN CC[C@@H](C)[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051687 522295293 /nfs/dbraw/zinc/29/52/93/522295293.db2.gz XZRDDKDRWVWSOP-NXEZZACHSA-N 0 3 279.340 2.218 20 5 CEBDHN CC[C@@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443398 522573865 /nfs/dbraw/zinc/57/38/65/522573865.db2.gz QPMCADGSFPPRAN-JTQLQIEISA-N 0 3 258.705 2.109 20 5 CEBDHN CN1CC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443681 523968272 /nfs/dbraw/zinc/96/82/72/523968272.db2.gz IRZLTDNHHKIBJB-LLVKDONJSA-N 0 3 269.732 2.042 20 5 CEBDHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)N1 ZINC000053712343 525067347 /nfs/dbraw/zinc/06/73/47/525067347.db2.gz WEPUKIJJXQFAGC-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCCCC[C@@H]32)n1 ZINC000366099614 527407298 /nfs/dbraw/zinc/40/72/98/527407298.db2.gz UPATXTPUWIPKSP-NEPJUHHUSA-N 0 3 264.329 2.056 20 5 CEBDHN CN(CCc1ccccc1F)CCn1cc([N+](=O)[O-])cn1 ZINC000746671410 575162482 /nfs/dbraw/zinc/16/24/82/575162482.db2.gz LMEWTEJSCMYPFJ-UHFFFAOYSA-N 0 3 292.314 2.105 20 5 CEBDHN CC(COC(=O)Cc1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000813104253 623022361 /nfs/dbraw/zinc/02/23/61/623022361.db2.gz KWHCXTNINNECDA-QMMMGPOBSA-N 0 3 291.225 2.456 20 5 CEBDHN CC(COC(=O)c1cc(C2CCCCC2)[nH]n1)[N+](=O)[O-] ZINC000813104940 623023916 /nfs/dbraw/zinc/02/39/16/623023916.db2.gz TWFJOWUMXBMBMS-VIFPVBQESA-N 0 3 281.312 2.279 20 5 CEBDHN CC(COC(=O)Cc1cccc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813111320 623046867 /nfs/dbraw/zinc/04/68/67/623046867.db2.gz REYHDWLFKDXPRB-MRVPVSSYSA-N 0 3 291.225 2.456 20 5 CEBDHN C[C@H](CCO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000090740047 623508246 /nfs/dbraw/zinc/50/82/46/623508246.db2.gz GNDKTAJSKSFKLC-SECBINFHSA-N 0 3 272.732 2.356 20 5 CEBDHN COc1c(O)ccc(CNC[C@H](C)SC)c1[N+](=O)[O-] ZINC000893180435 628095305 /nfs/dbraw/zinc/09/53/05/628095305.db2.gz GJWQZHAOEHCQFV-QMMMGPOBSA-N 0 3 286.353 2.150 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@H](C)SC)c1[N+](=O)[O-] ZINC000893180435 628095306 /nfs/dbraw/zinc/09/53/06/628095306.db2.gz GJWQZHAOEHCQFV-QMMMGPOBSA-N 0 3 286.353 2.150 20 5 CEBDHN CC(C)Oc1nc(N[C@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895736536 630326645 /nfs/dbraw/zinc/32/66/45/630326645.db2.gz KLNSZKIOUBXIJX-MNOVXSKESA-N 0 3 294.355 2.282 20 5 CEBDHN CN1CC[C@@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000895769064 630337752 /nfs/dbraw/zinc/33/77/52/630337752.db2.gz MOXBNNSEKPCQLN-LLVKDONJSA-N 0 3 272.308 2.259 20 5 CEBDHN CC(COC(=O)[C@@H](C)[C@H]1OCCc2sccc21)[N+](=O)[O-] ZINC000797277580 631109650 /nfs/dbraw/zinc/10/96/50/631109650.db2.gz CXRLKYGASDRWFE-HOTUBEGUSA-N 0 3 299.348 2.206 20 5 CEBDHN Cc1c([C@H](C)NCCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084002 632451997 /nfs/dbraw/zinc/45/19/97/632451997.db2.gz JTSNQKFVAJBMJF-QWHCGFSZSA-N 0 3 294.351 2.359 20 5 CEBDHN CC[C@@H]1CCCC[C@@H]1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813099959 632620702 /nfs/dbraw/zinc/62/07/02/632620702.db2.gz IIDVEXHMOYQCIR-TUAOUCFPSA-N 0 3 273.329 2.180 20 5 CEBDHN CC(COC(=O)c1cc2occc2s1)[N+](=O)[O-] ZINC000813104392 632622840 /nfs/dbraw/zinc/62/28/40/632622840.db2.gz ZUXYMRMPXCPPRR-ZCFIWIBFSA-N 0 3 255.251 2.316 20 5 CEBDHN COc1cc(Cl)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105027 632623004 /nfs/dbraw/zinc/62/30/04/632623004.db2.gz UEYJAABBIFSARO-SSDOTTSWSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(C)c1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813105425 632623534 /nfs/dbraw/zinc/62/35/34/632623534.db2.gz MCQUPRJFUBYRMJ-VIFPVBQESA-N 0 3 252.270 2.027 20 5 CEBDHN CC(COC(=O)c1coc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813106190 632623783 /nfs/dbraw/zinc/62/37/83/632623783.db2.gz ADDFWLIMHLUOQA-SECBINFHSA-N 0 3 276.248 2.164 20 5 CEBDHN CC(COC(=O)COc1ccc2ccccc2c1)[N+](=O)[O-] ZINC000813106958 632624872 /nfs/dbraw/zinc/62/48/72/632624872.db2.gz IXGZYHKUDUEXNC-NSHDSACASA-N 0 3 289.287 2.427 20 5 CEBDHN COc1nc(C(=O)OCC(C)[N+](=O)[O-])cc2ccccc21 ZINC000813106659 632624959 /nfs/dbraw/zinc/62/49/59/632624959.db2.gz GCUYPUQERRQOEX-VIFPVBQESA-N 0 3 290.275 2.065 20 5 CEBDHN CC(COC(=O)CCc1ccc(F)cc1F)[N+](=O)[O-] ZINC000813108011 632625367 /nfs/dbraw/zinc/62/53/67/632625367.db2.gz TUAOCXFSSXFGBB-QMMMGPOBSA-N 0 3 273.235 2.106 20 5 CEBDHN Cc1c(Cl)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109834 632626603 /nfs/dbraw/zinc/62/66/03/632626603.db2.gz PMPGJYOPHLESPZ-ZETCQYMHSA-N 0 3 257.673 2.470 20 5 CEBDHN COc1ccc(CCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112105 632627547 /nfs/dbraw/zinc/62/75/47/632627547.db2.gz ZPVCONSTLMQSPA-NSHDSACASA-N 0 3 281.308 2.226 20 5 CEBDHN CC(COC(=O)CCCc1cccs1)[N+](=O)[O-] ZINC000813114423 632628531 /nfs/dbraw/zinc/62/85/31/632628531.db2.gz RKQLEXVPRUEHHY-VIFPVBQESA-N 0 3 257.311 2.279 20 5 CEBDHN Cc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114736 632629017 /nfs/dbraw/zinc/62/90/17/632629017.db2.gz VZHOTCCXCCTUDE-RYUDHWBXSA-N 0 3 265.309 2.382 20 5 CEBDHN COC[C@H](C)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056004 634948203 /nfs/dbraw/zinc/94/82/03/634948203.db2.gz OVRHCDWHENMROL-UWVGGRQHSA-N 0 3 268.313 2.289 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]2C2CC2)c1 ZINC000834383641 637807538 /nfs/dbraw/zinc/80/75/38/637807538.db2.gz UZYAXJWCZMVARS-ZIAGYGMSSA-N 0 3 262.309 2.113 20 5 CEBDHN CC(=O)CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881988 641117321 /nfs/dbraw/zinc/11/73/21/641117321.db2.gz NFAPNWCDLGWRLZ-HZMBPMFUSA-N 0 3 297.282 2.444 20 5 CEBDHN CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877022 641118117 /nfs/dbraw/zinc/11/81/17/641118117.db2.gz DEAVPTBBMJDBFG-PRHODGIISA-N 0 3 255.245 2.485 20 5 CEBDHN CC(C)O[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000922611168 643160720 /nfs/dbraw/zinc/16/07/20/643160720.db2.gz HWBPUQLMEOHYCC-OAHLLOKOSA-N 0 3 294.351 2.269 20 5 CEBDHN CC12CC(C1)CN2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852786151 643550478 /nfs/dbraw/zinc/55/04/78/643550478.db2.gz KWLFYAJTOHWGED-AWAWDMARSA-N 0 3 262.309 2.113 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN(C2CC2)C2CC2)c1 ZINC000859627190 645544692 /nfs/dbraw/zinc/54/46/92/645544692.db2.gz JQBFIVXUBLWVCV-CQSZACIVSA-N 0 3 262.309 2.255 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](C(F)F)C2)cc1 ZINC000776600655 647078068 /nfs/dbraw/zinc/07/80/68/647078068.db2.gz CSQPGXNHKMBWNZ-CMPLNLGQSA-N 0 3 286.278 2.215 20 5 CEBDHN COC1(C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776605572 647078703 /nfs/dbraw/zinc/07/87/03/647078703.db2.gz MTRWOJOJVUGUPH-CQSZACIVSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(COC(=O)[C@@H](C)CC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000870376463 648789121 /nfs/dbraw/zinc/78/91/21/648789121.db2.gz KCLVOVKTLARVSF-VHSXEESVSA-N 0 3 297.282 2.243 20 5 CEBDHN CC(COC(=O)c1ccc(C2CCOCC2)cc1)[N+](=O)[O-] ZINC000870377628 648789869 /nfs/dbraw/zinc/78/98/69/648789869.db2.gz RKECYPVHVZTSOR-NSHDSACASA-N 0 3 293.319 2.403 20 5 CEBDHN C[C@@H](N[C@@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024601 649244131 /nfs/dbraw/zinc/24/41/31/649244131.db2.gz UHVDNEMZPPKSCD-GHMZBOCLSA-N 0 3 281.331 2.479 20 5 CEBDHN COCCOC[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000873062612 649547351 /nfs/dbraw/zinc/54/73/51/649547351.db2.gz UZAFVCJLPRAMJG-NSHDSACASA-N 0 3 282.340 2.044 20 5 CEBDHN CO[C@H]1COCC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429189 651439161 /nfs/dbraw/zinc/43/91/61/651439161.db2.gz UYVLEZYCBCIDRN-GJZGRUSLSA-N 0 3 294.351 2.139 20 5 CEBDHN CC[C@@H](NCC[S@@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130911843 652354344 /nfs/dbraw/zinc/35/43/44/652354344.db2.gz SQLVDEYLOLMIAS-BFUOFWGJSA-N 0 3 284.381 2.404 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](CO)CC(F)F ZINC000883104119 652364435 /nfs/dbraw/zinc/36/44/35/652364435.db2.gz PQWIHPYVLFEKMR-SNVBAGLBSA-N 0 3 288.294 2.317 20 5 CEBDHN O=C(NCCN1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000160405664 806869869 /nfs/dbraw/zinc/86/98/69/806869869.db2.gz FALLPCSZWTUGKZ-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN Cn1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001119306271 815086991 /nfs/dbraw/zinc/08/69/91/815086991.db2.gz NKEJYFGENQMCQN-NWDGAFQWSA-N 0 3 278.356 2.340 20 5 CEBDHN Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCN(C(C)C)C1 ZINC001233555495 807420108 /nfs/dbraw/zinc/42/01/08/807420108.db2.gz HVHGESJOXWQXRZ-NSHDSACASA-N 0 3 265.313 2.160 20 5 CEBDHN Cc1cccc(C2(N[C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970750 811320635 /nfs/dbraw/zinc/32/06/35/811320635.db2.gz IYSOECQQPDVUQO-HIFRSBDPSA-N 0 3 290.363 2.256 20 5 CEBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999751 811329272 /nfs/dbraw/zinc/32/92/72/811329272.db2.gz VBKCLLPFJHFXLE-MWLCHTKSSA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3occc3C2)C1 ZINC001169039957 811349682 /nfs/dbraw/zinc/34/96/82/811349682.db2.gz WHICRCIKVSXCRL-ZYHUDNBSSA-N 0 3 250.298 2.083 20 5 CEBDHN Cc1c(C)c(N2C[C@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266469 812062150 /nfs/dbraw/zinc/06/21/50/812062150.db2.gz SRSUYFYEFVADEH-TZMCWYRMSA-N 0 3 290.367 2.137 20 5 CEBDHN COC[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000714471574 814906609 /nfs/dbraw/zinc/90/66/09/814906609.db2.gz PUWKMXQWCAEOGU-JGZJWPJOSA-N 0 3 268.288 2.249 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]12CCOC2 ZINC001173233371 815632098 /nfs/dbraw/zinc/63/20/98/815632098.db2.gz VZAHLRRYSDHCTD-DOMZBBRYSA-N 0 3 276.336 2.391 20 5 CEBDHN CC(C)c1ccc(CNCCn2cncn2)cc1[N+](=O)[O-] ZINC001177774520 816611656 /nfs/dbraw/zinc/61/16/56/816611656.db2.gz NAIMLWBNTCPNHY-UHFFFAOYSA-N 0 3 289.339 2.100 20 5 CEBDHN COCCOCCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079415609 343979797 /nfs/dbraw/zinc/97/97/97/343979797.db2.gz JYWDPUUXWVOFJB-GFCCVEGCSA-N 0 3 282.340 2.251 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2COC[C@H]2C2CC2)c1 ZINC000725270120 539215131 /nfs/dbraw/zinc/21/51/31/539215131.db2.gz XTRIRKDTVKOOAI-KBPBESRZSA-N 0 3 262.309 2.109 20 5 CEBDHN Cc1c(C(=O)NC[C@@H](C)N2CCCC2)cccc1[N+](=O)[O-] ZINC000042504474 343451862 /nfs/dbraw/zinc/45/18/62/343451862.db2.gz OWQGDUNHBJWJBV-LLVKDONJSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000057706277 343635544 /nfs/dbraw/zinc/63/55/44/343635544.db2.gz RQILUWPDDRQZAE-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000068341435 343761688 /nfs/dbraw/zinc/76/16/88/343761688.db2.gz RSQZVXHKBRWFSL-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H](N(C)Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295086616 199337314 /nfs/dbraw/zinc/33/73/14/199337314.db2.gz DUYPUCMQMXJESG-JTQLQIEISA-N 0 3 252.314 2.186 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN2CCCC2)c1 ZINC000088719440 344113642 /nfs/dbraw/zinc/11/36/42/344113642.db2.gz ZTLSISSXZIFWTE-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN COCCN1CCC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088720973 344113687 /nfs/dbraw/zinc/11/36/87/344113687.db2.gz LQIZDJOALGZDIY-CYBMUJFWSA-N 0 3 293.367 2.426 20 5 CEBDHN C[C@H](NC[C@@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057176 344135223 /nfs/dbraw/zinc/13/52/23/344135223.db2.gz SQEMDSDVBWQJEQ-XHDPSFHLSA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1ccc(CN(C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144074 344215275 /nfs/dbraw/zinc/21/52/75/344215275.db2.gz ZQLNKMRHECJKRV-LBPRGKRZSA-N 0 3 266.341 2.494 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(CC2CC2)C1 ZINC000092652084 344197627 /nfs/dbraw/zinc/19/76/27/344197627.db2.gz HXBGQEJAJZCIHC-LBPRGKRZSA-N 0 3 276.340 2.194 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000092672350 344199263 /nfs/dbraw/zinc/19/92/63/344199263.db2.gz TYEQQQIPUIUPEE-MNOVXSKESA-N 0 3 276.340 2.335 20 5 CEBDHN Cc1c(CN[C@@H]2C[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000128541481 344337325 /nfs/dbraw/zinc/33/73/25/344337325.db2.gz VXYOEGPDXSHMDP-CHWSQXEVSA-N 0 3 264.325 2.152 20 5 CEBDHN Cc1c(CN(C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000134845129 344378213 /nfs/dbraw/zinc/37/82/13/344378213.db2.gz SIMNTTQWOPOZJF-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc2nc(N3CCN4CCC3CC4)ccc2c1 ZINC000137398061 344388064 /nfs/dbraw/zinc/38/80/64/344388064.db2.gz QIFOGAIQFMRDSW-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN O=[N+]([O-])c1ncccc1NCCN1CCCCCC1 ZINC000159326551 344454670 /nfs/dbraw/zinc/45/46/70/344454670.db2.gz SSQKDXBHURLPCW-UHFFFAOYSA-N 0 3 264.329 2.278 20 5 CEBDHN CC[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229935057 344569342 /nfs/dbraw/zinc/56/93/42/344569342.db2.gz JAPVTUHZQZUFIK-LLVKDONJSA-N 0 3 295.730 2.298 20 5 CEBDHN CC(C)(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602549990 347073330 /nfs/dbraw/zinc/07/33/30/347073330.db2.gz HAOJJHZZVDOLLU-UHFFFAOYSA-N 0 3 292.257 2.474 20 5 CEBDHN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877336 345103742 /nfs/dbraw/zinc/10/37/42/345103742.db2.gz WQAPYESQHJSXJN-LBPRGKRZSA-N 0 3 290.367 2.300 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053185 345112058 /nfs/dbraw/zinc/11/20/58/345112058.db2.gz POJQXGJCRXTDSO-FYBPAHAJSA-N 0 3 288.347 2.168 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000590657809 345156338 /nfs/dbraw/zinc/15/63/38/345156338.db2.gz NULACFQUGORIQZ-KGLIPLIRSA-N 0 3 292.335 2.335 20 5 CEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160947 345227049 /nfs/dbraw/zinc/22/70/49/345227049.db2.gz MVDCCNUCAIRBQX-ZYHUDNBSSA-N 0 3 294.330 2.192 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CNCCC1(F)F ZINC000591673417 345273084 /nfs/dbraw/zinc/27/30/84/345273084.db2.gz VEGYKMKKWPHMEL-JTQLQIEISA-N 0 3 299.277 2.087 20 5 CEBDHN C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)N(C)C ZINC000591895831 345294394 /nfs/dbraw/zinc/29/43/94/345294394.db2.gz DMWNCBHSMWVEIL-SNVBAGLBSA-N 0 3 278.356 2.231 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N)nc1 ZINC000592432701 345352586 /nfs/dbraw/zinc/35/25/86/345352586.db2.gz OCHHHWOOMDPBAG-UHFFFAOYSA-N 0 3 286.335 2.077 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H](C)N1C ZINC000127445805 187306403 /nfs/dbraw/zinc/30/64/03/187306403.db2.gz VSIGEUBNUADSOU-PHIMTYICSA-N 0 3 281.331 2.258 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(CO)CCC1 ZINC000594500386 345639052 /nfs/dbraw/zinc/63/90/52/345639052.db2.gz LPOHRKTYCAVAFA-ZDUSSCGKSA-N 0 3 276.336 2.334 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595106152 345742821 /nfs/dbraw/zinc/74/28/21/345742821.db2.gz JXCXFVKZBWGQPN-BNOWGMLFSA-N 0 3 262.309 2.349 20 5 CEBDHN CC[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925121 345704434 /nfs/dbraw/zinc/70/44/34/345704434.db2.gz KSMAVCJOBREPCV-YPMHNXCESA-N 0 3 250.298 2.252 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926853 345705171 /nfs/dbraw/zinc/70/51/71/345705171.db2.gz WATAIKZQVSVQLX-RDBQEKCUSA-N 0 3 292.335 2.443 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936849 345709207 /nfs/dbraw/zinc/70/92/07/345709207.db2.gz WXWCXTRZODJRRM-LYIQGSDWSA-N 0 3 292.335 2.443 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CCO ZINC000595009885 345726349 /nfs/dbraw/zinc/72/63/49/345726349.db2.gz UEMSYFLYYCQPMV-VHSXEESVSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C(C)(C)O ZINC000595024188 345729651 /nfs/dbraw/zinc/72/96/51/345729651.db2.gz YIFALTTYNCWNPE-UWVGGRQHSA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CO)CCC1 ZINC000595034535 345732133 /nfs/dbraw/zinc/73/21/33/345732133.db2.gz XJPBZOBCWOWBMN-LLVKDONJSA-N 0 3 294.351 2.417 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595061581 345737418 /nfs/dbraw/zinc/73/74/18/345737418.db2.gz RVHIQFKQRZNNFX-CORIIIEPSA-N 0 3 294.351 2.297 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595508756 345798962 /nfs/dbraw/zinc/79/89/62/345798962.db2.gz BGOHJQJDWWJBEE-NEPJUHHUSA-N 0 3 296.298 2.165 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595835779 345892466 /nfs/dbraw/zinc/89/24/66/345892466.db2.gz VLEUBNRAFGUJMN-AAEUAGOBSA-N 0 3 292.335 2.072 20 5 CEBDHN Cc1c(CN[C@@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776403 345874047 /nfs/dbraw/zinc/87/40/47/345874047.db2.gz AWXYJZRJIRFBIX-KGLIPLIRSA-N 0 3 276.336 2.296 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000595809607 345880905 /nfs/dbraw/zinc/88/09/05/345880905.db2.gz HZGOAHBAHMECRC-ZYHUDNBSSA-N 0 3 262.309 2.445 20 5 CEBDHN CCC[N@H+](CC)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237467 345976875 /nfs/dbraw/zinc/97/68/75/345976875.db2.gz YGEGMSSBGNWMNP-SNVBAGLBSA-N 0 3 282.344 2.228 20 5 CEBDHN CCC[N@@H+](CC)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237467 345976878 /nfs/dbraw/zinc/97/68/78/345976878.db2.gz YGEGMSSBGNWMNP-SNVBAGLBSA-N 0 3 282.344 2.228 20 5 CEBDHN COC[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000295121714 199357225 /nfs/dbraw/zinc/35/72/25/199357225.db2.gz NIRHVJKZBDDOPN-CQSZACIVSA-N 0 3 264.325 2.453 20 5 CEBDHN COC1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000181079169 232398730 /nfs/dbraw/zinc/39/87/30/232398730.db2.gz PQQHLBDTEGLXBQ-UHFFFAOYSA-N 0 3 256.327 2.315 20 5 CEBDHN COc1cc(C[NH2+][C@H](C)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000295131904 199361726 /nfs/dbraw/zinc/36/17/26/199361726.db2.gz YELIYMVYZPRSCP-MRVPVSSYSA-N 0 3 266.297 2.197 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(F)F ZINC000295130723 199362212 /nfs/dbraw/zinc/36/22/12/199362212.db2.gz YAPSPAWBPYHJOE-RYUDHWBXSA-N 0 3 288.294 2.397 20 5 CEBDHN CCCN[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142448 199369039 /nfs/dbraw/zinc/36/90/39/199369039.db2.gz IWVISXULLGQRMO-JTQLQIEISA-N 0 3 265.313 2.230 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000598343043 346332123 /nfs/dbraw/zinc/33/21/23/346332123.db2.gz POGCFBYKTVUWQG-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN COC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000062161080 362713425 /nfs/dbraw/zinc/71/34/25/362713425.db2.gz YIUQSHOIJVIUAP-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN COc1cc(C[NH2+]CC2CC(C)C2)c([N+](=O)[O-])cc1[O-] ZINC000598648386 346393088 /nfs/dbraw/zinc/39/30/88/346393088.db2.gz OEVBJGITEYMHAB-UHFFFAOYSA-N 0 3 280.324 2.445 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCCC2)cn1 ZINC000599164728 346470750 /nfs/dbraw/zinc/47/07/50/346470750.db2.gz KZVPEJJPCWYMHH-CYBMUJFWSA-N 0 3 276.340 2.419 20 5 CEBDHN Cc1ccc(CNCC[C@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129345310 365849483 /nfs/dbraw/zinc/84/94/83/365849483.db2.gz ODAUPDBISQNRGI-WLRWDXFRSA-N 0 3 284.381 2.150 20 5 CEBDHN O=[N+]([O-])c1ccc(CCO)c(-c2ccc3c(c2)CCNC3)c1 ZINC000600793333 346691448 /nfs/dbraw/zinc/69/14/48/346691448.db2.gz NKEYOOJENZWEHE-UHFFFAOYSA-N 0 3 298.342 2.442 20 5 CEBDHN CC[C@H]1CN(C)CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000601188194 346781288 /nfs/dbraw/zinc/78/12/88/346781288.db2.gz CYMZQTMCGKWFLF-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN CS[C@@H]1CCCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794503 347201601 /nfs/dbraw/zinc/20/16/01/347201601.db2.gz CPIYTQCECCNAPN-GFCCVEGCSA-N 0 3 298.412 2.317 20 5 CEBDHN CCS[C@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602819005 347212926 /nfs/dbraw/zinc/21/29/26/347212926.db2.gz PKLCDQXXUGPENZ-NEPJUHHUSA-N 0 3 298.412 2.482 20 5 CEBDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813976 347210687 /nfs/dbraw/zinc/21/06/87/347210687.db2.gz AYUUVLXCUWWVKP-MXWKQRLJSA-N 0 3 266.345 2.195 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C2CC2)C1 ZINC000602833342 347217607 /nfs/dbraw/zinc/21/76/07/347217607.db2.gz OZECIQFAITVSBK-CYBMUJFWSA-N 0 3 278.356 2.222 20 5 CEBDHN Cc1ccc([C@H](C)NCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000085982723 179210293 /nfs/dbraw/zinc/21/02/93/179210293.db2.gz LVZOJIBSFUFKFV-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN CN(CC(=O)NCc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000608886367 347623279 /nfs/dbraw/zinc/62/32/79/347623279.db2.gz ASHDENVYYWLXDY-UHFFFAOYSA-N 0 3 293.367 2.189 20 5 CEBDHN O=C(CCN1C[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585528 347694424 /nfs/dbraw/zinc/69/44/24/347694424.db2.gz RXSYHIDMXCIJKF-AAEUAGOBSA-N 0 3 289.335 2.408 20 5 CEBDHN O=C(CCN1C[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762500 347712355 /nfs/dbraw/zinc/71/23/55/347712355.db2.gz QGGLPLHEKMLZMA-RISCZKNCSA-N 0 3 289.335 2.408 20 5 CEBDHN CS[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000611370865 347770527 /nfs/dbraw/zinc/77/05/27/347770527.db2.gz ZUQQJHQGQDERJA-VHSXEESVSA-N 0 3 287.410 2.138 20 5 CEBDHN C[C@@H]1COCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610990631 347727305 /nfs/dbraw/zinc/72/73/05/347727305.db2.gz DKZDLSHWKWKVBO-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@H](F)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872614 219233012 /nfs/dbraw/zinc/23/30/12/219233012.db2.gz FCSYHBWEWLHABR-WDEREUQCSA-N 0 3 282.319 2.224 20 5 CEBDHN CC[C@@](C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087028143 179381914 /nfs/dbraw/zinc/38/19/14/179381914.db2.gz NMXUJZKTXJSAAM-GFCCVEGCSA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1c(CN2CCC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412069614 233329775 /nfs/dbraw/zinc/32/97/75/233329775.db2.gz FVAOVTCWTNWAMS-JSGCOSHPSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H]1[C@H](CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000412087502 233335034 /nfs/dbraw/zinc/33/50/34/233335034.db2.gz OZIPSENTVWDVDX-AAEUAGOBSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1cc(CN2CCC[C@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000339747453 215322814 /nfs/dbraw/zinc/32/28/14/215322814.db2.gz JZDHOEADUCWIGL-LBPRGKRZSA-N 0 3 294.351 2.198 20 5 CEBDHN COc1ccc(CN[C@H](C)CSC)cc1[N+](=O)[O-] ZINC000130726030 365984891 /nfs/dbraw/zinc/98/48/91/365984891.db2.gz VDWGMERKRHVEAF-SECBINFHSA-N 0 3 270.354 2.445 20 5 CEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000123443934 187092145 /nfs/dbraw/zinc/09/21/45/187092145.db2.gz UBBILADABXMWBH-VHSXEESVSA-N 0 3 297.380 2.211 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072697437 363158164 /nfs/dbraw/zinc/15/81/64/363158164.db2.gz DVVWSGPFOPLWHV-PHIMTYICSA-N 0 3 291.351 2.457 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530149 191194739 /nfs/dbraw/zinc/19/47/39/191194739.db2.gz RWPBVVFEJGTMMC-WDEREUQCSA-N 0 3 279.340 2.078 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530137 191195074 /nfs/dbraw/zinc/19/50/74/191195074.db2.gz RWPBVVFEJGTMMC-GHMZBOCLSA-N 0 3 279.340 2.078 20 5 CEBDHN CN(C)[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134795850 187773543 /nfs/dbraw/zinc/77/35/43/187773543.db2.gz DSCYGTNOMACSKL-NSHDSACASA-N 0 3 297.742 2.024 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158431609 290346753 /nfs/dbraw/zinc/34/67/53/290346753.db2.gz RDGAEBCSTONYSM-SNVBAGLBSA-N 0 3 279.340 2.018 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000153918104 188111904 /nfs/dbraw/zinc/11/19/04/188111904.db2.gz KLGKDNRMSRZKBH-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CCCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000074073637 363290992 /nfs/dbraw/zinc/29/09/92/363290992.db2.gz ZWULAAMOCWCIED-UHFFFAOYSA-N 0 3 291.351 2.153 20 5 CEBDHN CC(C)[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000134549150 366337301 /nfs/dbraw/zinc/33/73/01/366337301.db2.gz PBWVZZDLBFCZJE-CYBMUJFWSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)CO ZINC000134980220 366380908 /nfs/dbraw/zinc/38/09/08/366380908.db2.gz VFGUXTDJEXRYPI-RKDXNWHRSA-N 0 3 272.732 2.355 20 5 CEBDHN CCCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCCO1 ZINC000176235740 283269075 /nfs/dbraw/zinc/26/90/75/283269075.db2.gz JSBUSZXIJWBRPX-ZDUSSCGKSA-N 0 3 296.371 2.072 20 5 CEBDHN Cc1ccc(CN(C)CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000294851627 199213001 /nfs/dbraw/zinc/21/30/01/199213001.db2.gz SCDRYRSSHKYXHD-UHFFFAOYSA-N 0 3 266.341 2.354 20 5 CEBDHN Cc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1[N+](=O)[O-] ZINC000136128759 366497306 /nfs/dbraw/zinc/49/73/06/366497306.db2.gz AEWSNDAYTJTCEU-AWEZNQCLSA-N 0 3 277.324 2.374 20 5 CEBDHN Cc1cc(F)c(NC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000296798892 200000756 /nfs/dbraw/zinc/00/07/56/200000756.db2.gz QQCOYKZBFZJNCE-VIFPVBQESA-N 0 3 298.318 2.114 20 5 CEBDHN CN(CCc1cn[nH]c1)CCc1ccccc1[N+](=O)[O-] ZINC000297334751 200151846 /nfs/dbraw/zinc/15/18/46/200151846.db2.gz DBSLENHABADYJF-UHFFFAOYSA-N 0 3 274.324 2.035 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000139805448 366558731 /nfs/dbraw/zinc/55/87/31/366558731.db2.gz RUAVCPAAVYCUOM-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000080899391 363688742 /nfs/dbraw/zinc/68/87/42/363688742.db2.gz YJGLLDAYFDFRKD-GFCCVEGCSA-N 0 3 272.732 2.499 20 5 CEBDHN CC(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000298301039 200388372 /nfs/dbraw/zinc/38/83/72/200388372.db2.gz MCRBPRUQVMSLPT-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1[C@H](C)CCC[C@H]1C ZINC000341938191 216159398 /nfs/dbraw/zinc/15/93/98/216159398.db2.gz TWODFABXCIXCNU-CHWSQXEVSA-N 0 3 292.383 2.395 20 5 CEBDHN CC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000178021313 189086278 /nfs/dbraw/zinc/08/62/78/189086278.db2.gz PKALYQJBKDONBJ-GXFFZTMASA-N 0 3 279.340 2.112 20 5 CEBDHN COCC[C@@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373477 189111282 /nfs/dbraw/zinc/11/12/82/189111282.db2.gz KDTYSVXLENEKSK-SWLSCSKDSA-N 0 3 296.367 2.341 20 5 CEBDHN CC[C@@H](NC[C@@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380057 189111953 /nfs/dbraw/zinc/11/19/53/189111953.db2.gz FMEIXHXGTWGATP-CABCVRRESA-N 0 3 296.367 2.423 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2CCO)c(F)c1 ZINC000275057921 192896844 /nfs/dbraw/zinc/89/68/44/192896844.db2.gz NZOJMAATBUMUMO-IINYFYTJSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1ccc(CNC[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342236569 216272692 /nfs/dbraw/zinc/27/26/92/216272692.db2.gz VOQQMRPKFNVGRX-CYBMUJFWSA-N 0 3 266.341 2.257 20 5 CEBDHN CCN(C)C(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180431236 189254430 /nfs/dbraw/zinc/25/44/30/189254430.db2.gz QWGFCFWBQYHXIT-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN Cc1c(CN[C@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000180619709 189265586 /nfs/dbraw/zinc/26/55/86/189265586.db2.gz VNGRHECUTUJMBT-CYBMUJFWSA-N 0 3 266.341 2.400 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153912808 366744597 /nfs/dbraw/zinc/74/45/97/366744597.db2.gz XNLIAYUBWNRMFP-KOLCDFICSA-N 0 3 298.774 2.420 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018178754 361517365 /nfs/dbraw/zinc/51/73/65/361517365.db2.gz IFUCZFGWYWRKOU-ZDUSSCGKSA-N 0 3 292.339 2.201 20 5 CEBDHN CN(C)CCN1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301996364 201292458 /nfs/dbraw/zinc/29/24/58/201292458.db2.gz PTWHDSBLUFCDQS-UHFFFAOYSA-N 0 3 298.412 2.094 20 5 CEBDHN CCCCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000302135877 201358315 /nfs/dbraw/zinc/35/83/15/201358315.db2.gz AZGLTBAXRJTJDY-GFCCVEGCSA-N 0 3 293.371 2.451 20 5 CEBDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380316 364802928 /nfs/dbraw/zinc/80/29/28/364802928.db2.gz XOQXKNYERAOXMJ-NHYWBVRUSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1ccc(CN[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120249088 365395668 /nfs/dbraw/zinc/39/56/68/365395668.db2.gz NJVZMYGVOSMMIA-CYBMUJFWSA-N 0 3 250.298 2.172 20 5 CEBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161500321 367092131 /nfs/dbraw/zinc/09/21/31/367092131.db2.gz PSFBSMVYZNKPLY-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN COC(=O)[C@@H](C)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171299772 367517263 /nfs/dbraw/zinc/51/72/63/367517263.db2.gz RUZYFYGYBGPTIT-NSHDSACASA-N 0 3 292.335 2.368 20 5 CEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000171564594 367568602 /nfs/dbraw/zinc/56/86/02/367568602.db2.gz BEOBSKPMJRXNDA-UHFFFAOYSA-N 0 3 297.380 2.070 20 5 CEBDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434451 367911361 /nfs/dbraw/zinc/91/13/61/367911361.db2.gz VWXAZTKPCFETHT-GBIKHYSHSA-N 0 3 284.381 2.358 20 5 CEBDHN CC(C)COC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346044 367899052 /nfs/dbraw/zinc/89/90/52/367899052.db2.gz IBZPLINGSPAJEM-SWLSCSKDSA-N 0 3 296.367 2.279 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000174846214 368072353 /nfs/dbraw/zinc/07/23/53/368072353.db2.gz FYCXCYFBJCWFIK-PHIMTYICSA-N 0 3 252.318 2.054 20 5 CEBDHN COC(=O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000183364319 368624934 /nfs/dbraw/zinc/62/49/34/368624934.db2.gz QLERPOJPIIZFKN-CYBMUJFWSA-N 0 3 292.335 2.431 20 5 CEBDHN CC(C)[C@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000348574051 369094432 /nfs/dbraw/zinc/09/44/32/369094432.db2.gz ZSBQHNOQEOYHAA-MRXNPFEDSA-N 0 3 291.395 2.409 20 5 CEBDHN CCS[C@@H]1CCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000348482410 369059431 /nfs/dbraw/zinc/05/94/31/369059431.db2.gz VZGPVMCKISZANP-GXSJLCMTSA-N 0 3 284.385 2.092 20 5 CEBDHN Cc1cc(NCCN2CCCOCC2)ccc1[N+](=O)[O-] ZINC000188492304 369364881 /nfs/dbraw/zinc/36/48/81/369364881.db2.gz BRBHDHAQDIWTBP-UHFFFAOYSA-N 0 3 279.340 2.037 20 5 CEBDHN COc1cc(CN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352400190 369710710 /nfs/dbraw/zinc/71/07/10/369710710.db2.gz PRKKULHZVZHCDN-JTQLQIEISA-N 0 3 250.298 2.445 20 5 CEBDHN CSc1ccc(CNCCn2cc([N+](=O)[O-])cn2)s1 ZINC000352802516 369883677 /nfs/dbraw/zinc/88/36/77/369883677.db2.gz UDAMQIOCORPAIN-UHFFFAOYSA-N 0 3 298.393 2.365 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC2CCC(CO)CC2)c(F)c1 ZINC000352835106 369903635 /nfs/dbraw/zinc/90/36/35/369903635.db2.gz XIDZYTUUCJJQFK-UHFFFAOYSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1ccc([C@H](C)NCCCCO)cc1[N+](=O)[O-] ZINC000193277782 369915213 /nfs/dbraw/zinc/91/52/13/369915213.db2.gz QCGNSZPEFXVNBN-NSHDSACASA-N 0 3 252.314 2.326 20 5 CEBDHN C[C@@H](O)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000227952918 370389420 /nfs/dbraw/zinc/38/94/20/370389420.db2.gz NFIFQVFNEIGUSJ-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN CC[C@](C)(CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000230222915 370446502 /nfs/dbraw/zinc/44/65/02/370446502.db2.gz LMYTVVGCENMULN-CQSZACIVSA-N 0 3 282.340 2.244 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@]1(C)CCO[C@H]1C ZINC000234889312 370546911 /nfs/dbraw/zinc/54/69/11/370546911.db2.gz JYBJRLKIBFCKEN-IINYFYTJSA-N 0 3 280.324 2.261 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000247028624 371050118 /nfs/dbraw/zinc/05/01/18/371050118.db2.gz UVWUQKRKSUHTLB-MNOVXSKESA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000247265617 371085151 /nfs/dbraw/zinc/08/51/51/371085151.db2.gz FHBCYDHFTUONLD-WCQYABFASA-N 0 3 291.351 2.007 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249955195 371371989 /nfs/dbraw/zinc/37/19/89/371371989.db2.gz JDJHQJLWPFAEHG-BFHYXJOUSA-N 0 3 262.309 2.252 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(C)[C@@H]1C ZINC000359560769 371470464 /nfs/dbraw/zinc/47/04/64/371470464.db2.gz ACMFMPMANFBFFW-MNOVXSKESA-N 0 3 281.360 2.014 20 5 CEBDHN CCC[C@H](N[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796054 372226953 /nfs/dbraw/zinc/22/69/53/372226953.db2.gz BRXHUUZRGRTHEY-JSGCOSHPSA-N 0 3 291.351 2.256 20 5 CEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCN1 ZINC000269130696 372351233 /nfs/dbraw/zinc/35/12/33/372351233.db2.gz VDYNZJOOCZKPQY-GFCCVEGCSA-N 0 3 297.742 2.007 20 5 CEBDHN C[C@H](O)C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000269784453 372564126 /nfs/dbraw/zinc/56/41/26/372564126.db2.gz HNWKQUIRXDAJOA-QWHCGFSZSA-N 0 3 294.351 2.209 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000270220014 372707311 /nfs/dbraw/zinc/70/73/11/372707311.db2.gz YYRKVCQYDWVDIP-SWLSCSKDSA-N 0 3 294.351 2.066 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCOC1 ZINC000344811664 217319574 /nfs/dbraw/zinc/31/95/74/217319574.db2.gz MKYKACUTAUZNEU-LWMSPQMPSA-N 0 3 262.309 2.377 20 5 CEBDHN COCCCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369011988 373315331 /nfs/dbraw/zinc/31/53/31/373315331.db2.gz WAWABOFBEZGOKY-ZDUSSCGKSA-N 0 3 296.371 2.245 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCCCC[C@@H]32)c1 ZINC000369454421 373421510 /nfs/dbraw/zinc/42/15/10/373421510.db2.gz ZZPMUAMFLQXUMQ-JSGCOSHPSA-N 0 3 278.356 2.446 20 5 CEBDHN CN1CC=C(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000274040660 373792483 /nfs/dbraw/zinc/79/24/83/373792483.db2.gz XRRSMZMFLLMDAN-UHFFFAOYSA-N 0 3 265.288 2.408 20 5 CEBDHN Cc1ncc2c(n1)CC[C@H](NCc1cccc([N+](=O)[O-])c1)C2 ZINC000373941639 374453623 /nfs/dbraw/zinc/45/36/23/374453623.db2.gz SKIZSWFHMYGGJK-AWEZNQCLSA-N 0 3 298.346 2.340 20 5 CEBDHN CC(C)OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282546091 375515074 /nfs/dbraw/zinc/51/50/74/375515074.db2.gz WPUWNZJGUDQPHZ-UHFFFAOYSA-N 0 3 266.341 2.494 20 5 CEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230875 375880138 /nfs/dbraw/zinc/88/01/38/375880138.db2.gz DQWYDONKXQDSFZ-NEPJUHHUSA-N 0 3 276.340 2.053 20 5 CEBDHN CCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286487988 375971510 /nfs/dbraw/zinc/97/15/10/375971510.db2.gz LPRXDNHNJKBIJG-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCCC2)cc1 ZINC000289624363 376424514 /nfs/dbraw/zinc/42/45/14/376424514.db2.gz SZMBGPKKEMUJNB-CQSZACIVSA-N 0 3 264.325 2.236 20 5 CEBDHN COc1cc(CN(C[C@@H](C)O)C(C)C)ccc1[N+](=O)[O-] ZINC000305863224 376523263 /nfs/dbraw/zinc/52/32/63/376523263.db2.gz YVEHXEYKNHRPTF-LLVKDONJSA-N 0 3 282.340 2.195 20 5 CEBDHN COc1ccc(CNCC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000264314905 190103308 /nfs/dbraw/zinc/10/33/08/190103308.db2.gz DXVRNEIXTJXHAA-SNVBAGLBSA-N 0 3 268.313 2.118 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C)C1 ZINC000331135122 377296043 /nfs/dbraw/zinc/29/60/43/377296043.db2.gz IAHQLYFMVBUTQE-UHIISALHSA-N 0 3 264.325 2.359 20 5 CEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293210656 377473839 /nfs/dbraw/zinc/47/38/39/377473839.db2.gz YFGYVLAZCHXECH-CYBMUJFWSA-N 0 3 250.298 2.109 20 5 CEBDHN COc1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000565241962 377621091 /nfs/dbraw/zinc/62/10/91/377621091.db2.gz AWFWAOVVQWHPCL-GNXNZQSNSA-N 0 3 262.309 2.492 20 5 CEBDHN Cc1c(CN[C@@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000313111848 249383841 /nfs/dbraw/zinc/38/38/41/249383841.db2.gz FRHJGHWLIDIHJA-CYBMUJFWSA-N 0 3 264.325 2.418 20 5 CEBDHN CC[C@@H](O)[C@@H](CC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313192829 249388901 /nfs/dbraw/zinc/38/89/01/249388901.db2.gz OWFNAMVECJSSBW-DGCLKSJQSA-N 0 3 282.340 2.243 20 5 CEBDHN CO[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768069 377748988 /nfs/dbraw/zinc/74/89/88/377748988.db2.gz RWIZKODKGMDDIG-YMTOWFKASA-N 0 3 279.340 2.253 20 5 CEBDHN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000265974402 190220169 /nfs/dbraw/zinc/22/01/69/190220169.db2.gz CMLVCXMSPNKHRN-LLVKDONJSA-N 0 3 294.311 2.033 20 5 CEBDHN C[C@H](CNc1ncc([N+](=O)[O-])s1)N1CCCC[C@@H]1C ZINC000443515066 378058249 /nfs/dbraw/zinc/05/82/49/378058249.db2.gz JDUGIPDOIHKPJX-VHSXEESVSA-N 0 3 284.385 2.148 20 5 CEBDHN CCC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000295293350 378089129 /nfs/dbraw/zinc/08/91/29/378089129.db2.gz JLWQJPUOHIGAAC-CQSZACIVSA-N 0 3 266.341 2.230 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000295325528 378106743 /nfs/dbraw/zinc/10/67/43/378106743.db2.gz ZFZZFXJFTBSPAC-GHMZBOCLSA-N 0 3 291.351 2.221 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000449780827 378230308 /nfs/dbraw/zinc/23/03/08/378230308.db2.gz VYFANUKHNMBZFZ-HZMBPMFUSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000296043021 378400127 /nfs/dbraw/zinc/40/01/27/378400127.db2.gz UMQBJRUOUZNATJ-MXWKQRLJSA-N 0 3 250.298 2.077 20 5 CEBDHN C[C@H](NCC[C@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296712264 378627117 /nfs/dbraw/zinc/62/71/17/378627117.db2.gz MBAXYAZNRDSNLB-JQWIXIFHSA-N 0 3 278.308 2.199 20 5 CEBDHN Cc1cnc(N(C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222630 190241332 /nfs/dbraw/zinc/24/13/32/190241332.db2.gz QVABGUYHDDLUKW-RYUDHWBXSA-N 0 3 278.356 2.217 20 5 CEBDHN Cc1cnc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222626 190241720 /nfs/dbraw/zinc/24/17/20/190241720.db2.gz QVABGUYHDDLUKW-NWDGAFQWSA-N 0 3 278.356 2.217 20 5 CEBDHN C[C@@H](NC[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000453394625 378885144 /nfs/dbraw/zinc/88/51/44/378885144.db2.gz WJQBFVZGGMQDRO-SCDSUCTJSA-N 0 3 264.325 2.406 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCN1C ZINC000299237579 378938229 /nfs/dbraw/zinc/93/82/29/378938229.db2.gz ICADEIZYGIAYME-LBPRGKRZSA-N 0 3 292.339 2.119 20 5 CEBDHN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000453597963 378916483 /nfs/dbraw/zinc/91/64/83/378916483.db2.gz OVDYEMPXCBDAFL-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C1CC(O)C1 ZINC000347376575 218211342 /nfs/dbraw/zinc/21/13/42/218211342.db2.gz OITXLDPMPOHZFH-WDZFZDKYSA-N 0 3 276.336 2.453 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@](C)(O)C1 ZINC000347363562 218206636 /nfs/dbraw/zinc/20/66/36/218206636.db2.gz RWGGDCMEXJUPAV-PINLSGDHSA-N 0 3 276.336 2.455 20 5 CEBDHN CCCN1CCC(N(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000299719836 379117617 /nfs/dbraw/zinc/11/76/17/379117617.db2.gz ZAQWTSJLRAOJAD-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN C[C@H](Cn1cccn1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670567 379237313 /nfs/dbraw/zinc/23/73/13/379237313.db2.gz PWPSHXKPQKEVES-BXUZGUMPSA-N 0 3 286.335 2.457 20 5 CEBDHN Cc1cnc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267105121 190304061 /nfs/dbraw/zinc/30/40/61/190304061.db2.gz PXSJQFFUOZOSJE-ZDUSSCGKSA-N 0 3 296.396 2.147 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000267152020 190307352 /nfs/dbraw/zinc/30/73/52/190307352.db2.gz MRVONXFINOPZID-RYUDHWBXSA-N 0 3 264.325 2.360 20 5 CEBDHN Cc1c(CN2CCC[C@@H](C)[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000305177247 379673457 /nfs/dbraw/zinc/67/34/57/379673457.db2.gz LZWSKRKHTHBEKR-ABAIWWIYSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1CN(C)C ZINC000267448965 190331004 /nfs/dbraw/zinc/33/10/04/190331004.db2.gz DVJDFAPJMLNHFD-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)(CO)C(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000347781005 218354823 /nfs/dbraw/zinc/35/48/23/218354823.db2.gz PTYDMNWGZCBVTJ-UHFFFAOYSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1N1CCCN(C2CC2)CC1 ZINC000171831653 285075918 /nfs/dbraw/zinc/07/59/18/285075918.db2.gz IUXJMHUMTUBONM-UHFFFAOYSA-N 0 3 279.315 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]3COC[C@H]32)cc1 ZINC000367104714 285110607 /nfs/dbraw/zinc/11/06/07/285110607.db2.gz ASNNUYAGZWADLQ-DZGCQCFKSA-N 0 3 276.336 2.248 20 5 CEBDHN Cc1sc(C(=O)NC2(CN(C)C)CCC2)cc1[N+](=O)[O-] ZINC000281171585 195135148 /nfs/dbraw/zinc/13/51/48/195135148.db2.gz XUTMDHUJQBPKOX-UHFFFAOYSA-N 0 3 297.380 2.179 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCN(CC2CCCC2)CC1 ZINC000295950438 285165995 /nfs/dbraw/zinc/16/59/95/285165995.db2.gz HKJXDAZRBOTOGX-UHFFFAOYSA-N 0 3 290.367 2.302 20 5 CEBDHN COC(=O)C1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000237121665 131005927 /nfs/dbraw/zinc/00/59/27/131005927.db2.gz NDKBGGNKWXIDDM-UHFFFAOYSA-N 0 3 292.335 2.416 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@@H](CO)C1 ZINC000421361612 394510493 /nfs/dbraw/zinc/51/04/93/394510493.db2.gz LDYQXHFKHRFPTE-DGCLKSJQSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421699025 394567444 /nfs/dbraw/zinc/56/74/44/394567444.db2.gz ABOLHADQEFAXQL-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000267076437 394672991 /nfs/dbraw/zinc/67/29/91/394672991.db2.gz RPOHRDLEOYLYJY-CQSZACIVSA-N 0 3 273.336 2.354 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC1(C)C ZINC000349973497 395177642 /nfs/dbraw/zinc/17/76/42/395177642.db2.gz VCPSNYPFFBNTLI-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@@H](NCC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397974138 395231486 /nfs/dbraw/zinc/23/14/86/395231486.db2.gz IRDZGESEPAYLSC-LLVKDONJSA-N 0 3 263.341 2.340 20 5 CEBDHN CN1CC[C@@]2(CCN(c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000292300860 395191311 /nfs/dbraw/zinc/19/13/11/395191311.db2.gz NQPCMNHDAYLGQM-CQSZACIVSA-N 0 3 279.315 2.266 20 5 CEBDHN CO[C@@H](C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519619719 395199051 /nfs/dbraw/zinc/19/90/51/395199051.db2.gz VMQONWSJRHBBRX-JOYOIKCWSA-N 0 3 250.298 2.207 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000355374398 395427715 /nfs/dbraw/zinc/42/77/15/395427715.db2.gz YRSJSFYJJKLNTE-QPJJXVBHSA-N 0 3 276.336 2.455 20 5 CEBDHN C[C@H]1C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850178 395500498 /nfs/dbraw/zinc/50/04/98/395500498.db2.gz WLPHZYAIJUGZTQ-IUCAKERBSA-N 0 3 260.297 2.217 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250296 395598626 /nfs/dbraw/zinc/59/86/26/395598626.db2.gz DHGHIDZGTDNUAR-OLZOCXBDSA-N 0 3 294.351 2.196 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCCC[C@@H]1C ZINC000192498256 153208746 /nfs/dbraw/zinc/20/87/46/153208746.db2.gz BCQLRCMVNUZZGZ-NSHDSACASA-N 0 3 295.387 2.406 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230316615 153391550 /nfs/dbraw/zinc/39/15/50/153391550.db2.gz BTDIJVXDQGROHS-KGLIPLIRSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](CO)C1 ZINC000272284330 292295449 /nfs/dbraw/zinc/29/54/49/292295449.db2.gz GBYIJKSYMFOOKQ-NEPJUHHUSA-N 0 3 264.325 2.278 20 5 CEBDHN CO[C@@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430903 155012806 /nfs/dbraw/zinc/01/28/06/155012806.db2.gz SVRSMIWLJHJCIT-IUODEOHRSA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@@H]1COCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376502740 157237261 /nfs/dbraw/zinc/23/72/61/157237261.db2.gz YLRDAIVOXYQAAQ-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000020208239 171072313 /nfs/dbraw/zinc/07/23/13/171072313.db2.gz OUDYDBYAOYHTHH-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000285753997 196387372 /nfs/dbraw/zinc/38/73/72/196387372.db2.gz VTCKYQMVRPEAEF-DTWKUNHWSA-N 0 3 286.278 2.388 20 5 CEBDHN C[C@@H](NC[C@@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038088238 174101676 /nfs/dbraw/zinc/10/16/76/174101676.db2.gz FYPCTTMXPZPWAJ-GHMZBOCLSA-N 0 3 251.330 2.196 20 5 CEBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000040444326 174264342 /nfs/dbraw/zinc/26/43/42/174264342.db2.gz VNVFAVWUZYECFR-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040464245 174273636 /nfs/dbraw/zinc/27/36/36/174273636.db2.gz ZBSWASFBOZQIHR-JOYOIKCWSA-N 0 3 279.340 2.145 20 5 CEBDHN C[C@@H]1CCCCN1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044533132 175197522 /nfs/dbraw/zinc/19/75/22/175197522.db2.gz JHJYICHLNIHDHC-SNVBAGLBSA-N 0 3 297.380 2.261 20 5 CEBDHN CCCNC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045072388 175302217 /nfs/dbraw/zinc/30/22/17/175302217.db2.gz PDDWAPKHCOBYAK-GFCCVEGCSA-N 0 3 293.367 2.470 20 5 CEBDHN C[C@H](O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000078781810 177388003 /nfs/dbraw/zinc/38/80/03/177388003.db2.gz DLPKKGUPIGMLFS-QMMMGPOBSA-N 0 3 258.705 2.109 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[C@@H](C)O ZINC000430211748 271363479 /nfs/dbraw/zinc/36/34/79/271363479.db2.gz YPLPFMJCUAVPMD-YPMHNXCESA-N 0 3 294.351 2.339 20 5 CEBDHN CNC(=O)[C@]1(C)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345449 277255188 /nfs/dbraw/zinc/25/51/88/277255188.db2.gz ZLQFHRNQHRJDSQ-IAQYHMDHSA-N 0 3 291.351 2.114 20 5 CEBDHN COC(=O)CCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037416840 277316430 /nfs/dbraw/zinc/31/64/30/277316430.db2.gz ZFSXZSQYDDIRHI-JTQLQIEISA-N 0 3 266.297 2.199 20 5 CEBDHN CCC[C@H](NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530418 281063687 /nfs/dbraw/zinc/06/36/87/281063687.db2.gz WRLQNCDUZGHOJK-CABCVRRESA-N 0 3 293.367 2.014 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000433172689 281372328 /nfs/dbraw/zinc/37/23/28/281372328.db2.gz DFHYUMICDIBXRL-BXKDBHETSA-N 0 3 268.288 2.249 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCn1cccn1 ZINC000536875919 298206877 /nfs/dbraw/zinc/20/68/77/298206877.db2.gz KNZQFGUDWMRNIR-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159159 298263323 /nfs/dbraw/zinc/26/33/23/298263323.db2.gz XTBVZENXUUPBCC-WCQYABFASA-N 0 3 291.351 2.175 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCOC1 ZINC000563735767 298797395 /nfs/dbraw/zinc/79/73/95/298797395.db2.gz WAHZIYPTMYFQLR-GXFFZTMASA-N 0 3 262.309 2.351 20 5 CEBDHN Cc1ccnc(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301308041 302271431 /nfs/dbraw/zinc/27/14/31/302271431.db2.gz WGRTZIHUIAMVPF-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CC(C)CC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000575916648 314225252 /nfs/dbraw/zinc/22/52/52/314225252.db2.gz UJMBAGMFVVWGBW-AWEZNQCLSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1cc(N2CCNC[C@@](C)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000575974426 314228340 /nfs/dbraw/zinc/22/83/40/314228340.db2.gz DSNQFOVIMHGWBA-CYBMUJFWSA-N 0 3 285.294 2.180 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(CCO)CC1 ZINC000576291721 314261717 /nfs/dbraw/zinc/26/17/17/314261717.db2.gz QCYHMLNBEMGDKN-CYBMUJFWSA-N 0 3 276.336 2.334 20 5 CEBDHN CSCC[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668478 314505929 /nfs/dbraw/zinc/50/59/29/314505929.db2.gz DRNXINWKSIDXTK-GWCFXTLKSA-N 0 3 296.392 2.286 20 5 CEBDHN CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000581443441 322397651 /nfs/dbraw/zinc/39/76/51/322397651.db2.gz ZJJHDSUYYZCVMM-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCC[C@H]2C2(O)CC2)c1 ZINC000560590364 327328900 /nfs/dbraw/zinc/32/89/00/327328900.db2.gz OMHHWVQAPQUTFZ-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN CCOCC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736645 520064982 /nfs/dbraw/zinc/06/49/82/520064982.db2.gz LLNCDYGTCMSALR-BXUZGUMPSA-N 0 3 282.340 2.033 20 5 CEBDHN CSC[C@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438605 533790246 /nfs/dbraw/zinc/79/02/46/533790246.db2.gz HUMCPHFIXLCROS-JQWIXIFHSA-N 0 3 284.381 2.359 20 5 CEBDHN CC(C)[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452969 519813221 /nfs/dbraw/zinc/81/32/21/519813221.db2.gz OTZGRQZLDATXJE-SMDDNHRTSA-N 0 3 291.351 2.334 20 5 CEBDHN Cc1ccc(CN[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051998930 524608420 /nfs/dbraw/zinc/60/84/20/524608420.db2.gz HJKGSBHOZYWTAD-JSGCOSHPSA-N 0 3 264.325 2.296 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000754080069 574522778 /nfs/dbraw/zinc/52/27/78/574522778.db2.gz PWLISXLDVOYNPF-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1ccc(C(=O)NCCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000742238922 575012881 /nfs/dbraw/zinc/01/28/81/575012881.db2.gz IREXJDIRJFIJIB-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1C[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])CCN1C ZINC000742411887 575020376 /nfs/dbraw/zinc/02/03/76/575020376.db2.gz JUMOYQQPJHNXJV-GHMZBOCLSA-N 0 3 289.339 2.137 20 5 CEBDHN Cc1nn(CN2C[C@H](C)[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751923801 575301345 /nfs/dbraw/zinc/30/13/45/575301345.db2.gz BLRQXCVRNSWQDK-AOOOYVTPSA-N 0 3 289.339 2.193 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)[N+](=O)[O-] ZINC000813103735 623020594 /nfs/dbraw/zinc/02/05/94/623020594.db2.gz GQVFUXCMBDVYAT-HDBBIHSSSA-N 0 3 285.246 2.277 20 5 CEBDHN Cc1cc(Cl)ccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104354 623022387 /nfs/dbraw/zinc/02/23/87/623022387.db2.gz YVRDPIFLNYNGQD-SECBINFHSA-N 0 3 287.699 2.236 20 5 CEBDHN Cc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813114431 623079463 /nfs/dbraw/zinc/07/94/63/623079463.db2.gz RRHDMNYEVAXELQ-LBPRGKRZSA-N 0 3 293.319 2.475 20 5 CEBDHN CO[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000799343138 631016864 /nfs/dbraw/zinc/01/68/64/631016864.db2.gz AVSQVJXHCCWLRY-GLQYFDAESA-N 0 3 294.351 2.128 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H](O)C1CC1 ZINC000898207006 632087527 /nfs/dbraw/zinc/08/75/27/632087527.db2.gz YFNAAHOCWWYZHL-AWEZNQCLSA-N 0 3 294.351 2.244 20 5 CEBDHN CC(COC(=O)c1cnc(-c2ccccn2)s1)[N+](=O)[O-] ZINC000813101779 632621137 /nfs/dbraw/zinc/62/11/37/632621137.db2.gz IRDXGPHFPBXEFL-QMMMGPOBSA-N 0 3 293.304 2.027 20 5 CEBDHN CC(COC(=O)/C=C/c1ccc2ccccc2n1)[N+](=O)[O-] ZINC000813103039 632621732 /nfs/dbraw/zinc/62/17/32/632621732.db2.gz MCAYWWRDDOSMLB-ANYFNZRUSA-N 0 3 286.287 2.456 20 5 CEBDHN CC(COC(=O)Cc1cccc(Cl)c1F)[N+](=O)[O-] ZINC000813102724 632621941 /nfs/dbraw/zinc/62/19/41/632621941.db2.gz JOVMSRUKMXZJAF-SSDOTTSWSA-N 0 3 275.663 2.230 20 5 CEBDHN COc1ccc2occ(C(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000813105302 632623469 /nfs/dbraw/zinc/62/34/69/632623469.db2.gz XMPGLPYBSZXQFB-QMMMGPOBSA-N 0 3 279.248 2.263 20 5 CEBDHN CCOc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106071 632623497 /nfs/dbraw/zinc/62/34/97/632623497.db2.gz XQZCLNLIVFEAJV-NSHDSACASA-N 0 3 281.308 2.226 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107456 632624568 /nfs/dbraw/zinc/62/45/68/632624568.db2.gz NRVCCKPFXINJKK-UWVGGRQHSA-N 0 3 269.272 2.213 20 5 CEBDHN CC(COC(=O)CCc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813107339 632624630 /nfs/dbraw/zinc/62/46/30/632624630.db2.gz MBUMNLUWTIASFE-SECBINFHSA-N 0 3 271.700 2.481 20 5 CEBDHN CC(COC(=O)C1CC(OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813108735 632625474 /nfs/dbraw/zinc/62/54/74/632625474.db2.gz AEXIRXCMIIPSNR-XGNXJENSSA-N 0 3 293.319 2.190 20 5 CEBDHN Cc1ccc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108260 632625906 /nfs/dbraw/zinc/62/59/06/632625906.db2.gz XBBFXXSYWMIKPB-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN Cc1ccc(SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110379 632626165 /nfs/dbraw/zinc/62/61/65/632626165.db2.gz ZEJZUKIMIOWLKZ-JTQLQIEISA-N 0 3 269.322 2.296 20 5 CEBDHN CC(COC(=O)c1ccc(OC(F)F)cc1)[N+](=O)[O-] ZINC000813110087 632626249 /nfs/dbraw/zinc/62/62/49/632626249.db2.gz SASVJRYIBYABFL-ZETCQYMHSA-N 0 3 275.207 2.110 20 5 CEBDHN COc1ccccc1C[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112584 632627244 /nfs/dbraw/zinc/62/72/44/632627244.db2.gz IUBHMFHXOMYSKN-RYUDHWBXSA-N 0 3 295.335 2.472 20 5 CEBDHN CC(COC(=O)Cc1ccc(-n2cccc2)cc1)[N+](=O)[O-] ZINC000813114092 632628161 /nfs/dbraw/zinc/62/81/61/632628161.db2.gz MDCNUKDXXNCLET-LBPRGKRZSA-N 0 3 288.303 2.228 20 5 CEBDHN CC(COC(=O)c1cccc(OC(F)F)c1)[N+](=O)[O-] ZINC000813112746 632628181 /nfs/dbraw/zinc/62/81/81/632628181.db2.gz KHDKBYDBLICGEK-ZETCQYMHSA-N 0 3 275.207 2.110 20 5 CEBDHN Cc1ccc(Cl)c(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114463 632628285 /nfs/dbraw/zinc/62/82/85/632628285.db2.gz BXEQJTFOZRCRHW-SECBINFHSA-N 0 3 287.699 2.236 20 5 CEBDHN CC(COC(=O)c1ccccc1N1CCCCC1)[N+](=O)[O-] ZINC000813113009 632628557 /nfs/dbraw/zinc/62/85/57/632628557.db2.gz NRPKQZDTTBNPBF-LBPRGKRZSA-N 0 3 292.335 2.499 20 5 CEBDHN CC(COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[N+](=O)[O-] ZINC000813115503 632629273 /nfs/dbraw/zinc/62/92/73/632629273.db2.gz UDANQVJWDUYJPR-BWZBUEFSSA-N 0 3 269.219 2.173 20 5 CEBDHN COc1ccc(/C=C(\C)C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813114700 632629425 /nfs/dbraw/zinc/62/94/25/632629425.db2.gz VJFJYFVUXHZCPN-OLKPEBQYSA-N 0 3 297.282 2.446 20 5 CEBDHN CC(COC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[N+](=O)[O-] ZINC000813115506 632629476 /nfs/dbraw/zinc/62/94/76/632629476.db2.gz UDANQVJWDUYJPR-PRJMDXOYSA-N 0 3 269.219 2.173 20 5 CEBDHN CC(COC(=O)CCCc1cc(F)ccc1F)[N+](=O)[O-] ZINC000813115554 632629653 /nfs/dbraw/zinc/62/96/53/632629653.db2.gz VBHBHBGWMBXDLV-VIFPVBQESA-N 0 3 287.262 2.496 20 5 CEBDHN Cc1c(CNC[C@H](O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000819259033 634120189 /nfs/dbraw/zinc/12/01/89/634120189.db2.gz DQFYJVHVQJUMQH-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN COc1cc([C@@H](C)NCCn2cccn2)cc([N+](=O)[O-])c1 ZINC000903116089 634979016 /nfs/dbraw/zinc/97/90/16/634979016.db2.gz KBAMBNVTAAJHNN-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000905250459 636173962 /nfs/dbraw/zinc/17/39/62/636173962.db2.gz ZURKSRQAPPKGRJ-UMSPYCQHSA-N 0 3 254.717 2.452 20 5 CEBDHN COC(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000831539031 637365320 /nfs/dbraw/zinc/36/53/20/637365320.db2.gz LOSDMAGSTFKHKU-ZDUSSCGKSA-N 0 3 294.351 2.393 20 5 CEBDHN C/C=C/COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835456202 638263344 /nfs/dbraw/zinc/26/33/44/638263344.db2.gz SVQWZVLQTFCYMJ-PCAWENJQSA-N 0 3 293.319 2.392 20 5 CEBDHN Cc1occc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000840895201 639575118 /nfs/dbraw/zinc/57/51/18/639575118.db2.gz YKYBZNFZLVLAQA-AWEZNQCLSA-N 0 3 276.292 2.319 20 5 CEBDHN C[C@H](NC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210373 639746556 /nfs/dbraw/zinc/74/65/56/639746556.db2.gz BJENWCKURXPKER-GXFFZTMASA-N 0 3 280.324 2.397 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NCC1(N(C)C)CC1 ZINC000842046706 639930422 /nfs/dbraw/zinc/93/04/22/639930422.db2.gz DINPDOWFBXBELY-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@]1(F)c1ccccc1)[N+](=O)[O-] ZINC000842364412 640030007 /nfs/dbraw/zinc/03/00/07/640030007.db2.gz WMYDYTAJUDKSGJ-CDMKHQONSA-N 0 3 267.256 2.080 20 5 CEBDHN CC(C)(CCc1noc([C@@H]2CC[C@H](C3CC3)N2)n1)[N+](=O)[O-] ZINC000844920566 640866642 /nfs/dbraw/zinc/86/66/42/640866642.db2.gz SUFARSNDQOLBBC-MNOVXSKESA-N 0 3 294.355 2.261 20 5 CEBDHN CC(COC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)[N+](=O)[O-] ZINC000851036763 642890126 /nfs/dbraw/zinc/89/01/26/642890126.db2.gz MSVBSVYVGUHJPP-WYUUTHIRSA-N 0 3 255.314 2.411 20 5 CEBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494312 643314791 /nfs/dbraw/zinc/31/47/91/643314791.db2.gz DKHRMCPAQXRAPI-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN C[C@@H](NC[C@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740241 645573274 /nfs/dbraw/zinc/57/32/74/645573274.db2.gz YVDFMJAFZCBRNV-ZWNOBZJWSA-N 0 3 290.319 2.341 20 5 CEBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849349 645816725 /nfs/dbraw/zinc/81/67/25/645816725.db2.gz PAOZLWFXPYXVLP-CABZTGNLSA-N 0 3 293.348 2.436 20 5 CEBDHN C[C@@H]1SCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776582784 647074587 /nfs/dbraw/zinc/07/45/87/647074587.db2.gz BYSOPZHPKWSKGH-MJVIPROJSA-N 0 3 296.392 2.454 20 5 CEBDHN CC(COC(=O)[C@H](C)CC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000870376461 648788698 /nfs/dbraw/zinc/78/86/98/648788698.db2.gz KCLVOVKTLARVSF-NXEZZACHSA-N 0 3 297.282 2.243 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](O)C1 ZINC000872079136 649265772 /nfs/dbraw/zinc/26/57/72/649265772.db2.gz VFHCADLSHVXROP-ATZCPNFKSA-N 0 3 282.365 2.491 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000872218789 649319603 /nfs/dbraw/zinc/31/96/03/649319603.db2.gz NSWBOMBQKABWQZ-MJBXVCDLSA-N 0 3 282.315 2.499 20 5 CEBDHN CC[C@@H](NCc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880471251 651446857 /nfs/dbraw/zinc/44/68/57/651446857.db2.gz YDRNHMKVFHPBBL-WDEREUQCSA-N 0 3 283.328 2.186 20 5 CEBDHN CC(C)CC[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000883187891 652393527 /nfs/dbraw/zinc/39/35/27/652393527.db2.gz YUSXGOBFODTPDW-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN COC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883200303 652398027 /nfs/dbraw/zinc/39/80/27/652398027.db2.gz FYMKSIFIMCBTDS-UONOGXRCSA-N 0 3 294.351 2.126 20 5 CEBDHN CC[C@H](C[C@@H](C)O)NCc1csc([N+](=O)[O-])c1 ZINC000716858965 815147488 /nfs/dbraw/zinc/14/74/88/815147488.db2.gz ASJUSFNQEWPMIA-PSASIEDQSA-N 0 3 258.343 2.295 20 5 CEBDHN CC[C@@H]1COC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833083 807865149 /nfs/dbraw/zinc/86/51/49/807865149.db2.gz FIZMFOPWNANOGP-VXGBXAGGSA-N 0 3 280.324 2.118 20 5 CEBDHN CCCC(=O)N(CC)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001273236426 810532828 /nfs/dbraw/zinc/53/28/28/810532828.db2.gz BHUJERRODNAJJA-UHFFFAOYSA-N 0 3 293.367 2.333 20 5 CEBDHN C[C@]1(F)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169011987 811333759 /nfs/dbraw/zinc/33/37/59/811333759.db2.gz OKGRCPACKHZNKJ-KKOKHZNYSA-N 0 3 262.300 2.204 20 5 CEBDHN C[C@@H](N)c1ccn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001169230001 811442451 /nfs/dbraw/zinc/44/24/51/811442451.db2.gz NMWVGCZANYUGGX-SECBINFHSA-N 0 3 287.323 2.074 20 5 CEBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1ccc([C@H](C)N)n1 ZINC001169232417 811446005 /nfs/dbraw/zinc/44/60/05/811446005.db2.gz FACYGTSLFCBXBC-VIFPVBQESA-N 0 3 276.296 2.117 20 5 CEBDHN C/C=C(\C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156344556 811584515 /nfs/dbraw/zinc/58/45/15/811584515.db2.gz ZXXXOXQBHOGYPL-KGVSQERTSA-N 0 3 291.351 2.157 20 5 CEBDHN O=[N+]([O-])c1ccc2ccc(N3CCN4CC[C@H]4C3)nc2c1 ZINC001158422676 812695482 /nfs/dbraw/zinc/69/54/82/812695482.db2.gz DYJKDQSDIMIYST-ZDUSSCGKSA-N 0 3 284.319 2.037 20 5 CEBDHN Cc1cc(CN)nn1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215100 815623936 /nfs/dbraw/zinc/62/39/36/815623936.db2.gz SBNKGCZFHDXFEG-JTQLQIEISA-N 0 3 274.324 2.362 20 5 CEBDHN CCN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226644 815630646 /nfs/dbraw/zinc/63/06/46/815630646.db2.gz NDTFELUMZAZWJN-ZDUSSCGKSA-N 0 3 277.368 2.163 20 5 CEBDHN Cc1ccc(N[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000036964534 816379521 /nfs/dbraw/zinc/37/95/21/816379521.db2.gz HKUHDTGJPGVLOL-CYBMUJFWSA-N 0 3 261.325 2.409 20 5 CEBDHN C[C@@H](NCC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298733 346815353 /nfs/dbraw/zinc/81/53/53/346815353.db2.gz KDLSQEDKVKPFJO-LDYMZIIASA-N 0 3 274.267 2.262 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCc2cccnc2)cs1 ZINC000037718245 361924632 /nfs/dbraw/zinc/92/46/32/361924632.db2.gz CPHXKMIBAPJISG-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CC(C)C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000040774779 361997178 /nfs/dbraw/zinc/99/71/78/361997178.db2.gz SZUOZKLQTAUVOZ-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN Cc1cc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000449313310 282183998 /nfs/dbraw/zinc/18/39/98/282183998.db2.gz OSLHZHNHEHAZIP-LLVKDONJSA-N 0 3 288.351 2.358 20 5 CEBDHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047119927 343511903 /nfs/dbraw/zinc/51/19/03/343511903.db2.gz BEAHGBIKBZJIFO-UHFFFAOYSA-N 0 3 291.351 2.057 20 5 CEBDHN CCN(CC)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049091986 343534568 /nfs/dbraw/zinc/53/45/68/343534568.db2.gz LDYLKPBJCYAECJ-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN Cc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000046854291 343504779 /nfs/dbraw/zinc/50/47/79/343504779.db2.gz XOZUKAVDGZFJAY-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN Cc1nn(C)c(NC[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000052160106 343557259 /nfs/dbraw/zinc/55/72/59/343557259.db2.gz KWXJSSFPOPAECO-QWRGUYRKSA-N 0 3 295.387 2.169 20 5 CEBDHN COC[C@@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000295043634 199317089 /nfs/dbraw/zinc/31/70/89/199317089.db2.gz FCJZIZSHZZMKPA-AWEZNQCLSA-N 0 3 264.325 2.453 20 5 CEBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056987269 343622877 /nfs/dbraw/zinc/62/28/77/343622877.db2.gz MKYNWPMDSNAMHO-WDEREUQCSA-N 0 3 295.339 2.038 20 5 CEBDHN C[C@H](CC(C)(C)O)NCc1ccccc1[N+](=O)[O-] ZINC000295057538 199322976 /nfs/dbraw/zinc/32/29/76/199322976.db2.gz OAQGEXWSLZMGTA-SNVBAGLBSA-N 0 3 252.314 2.234 20 5 CEBDHN C[C@@H](N(C)Cc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295086617 199337475 /nfs/dbraw/zinc/33/74/75/199337475.db2.gz DUYPUCMQMXJESG-SNVBAGLBSA-N 0 3 252.314 2.186 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC(c3nc[nH]n3)CC2)c1 ZINC000083444669 344077157 /nfs/dbraw/zinc/07/71/57/344077157.db2.gz QYFIGIUUNAFMHQ-UHFFFAOYSA-N 0 3 287.323 2.093 20 5 CEBDHN CCN(C)CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000091461466 344164317 /nfs/dbraw/zinc/16/43/17/344164317.db2.gz QBNHYPNDGXGZJP-UHFFFAOYSA-N 0 3 271.292 2.106 20 5 CEBDHN C[C@@H](NCC1(CO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090663569 344142527 /nfs/dbraw/zinc/14/25/27/344142527.db2.gz ZJGRTZXKJISIKY-GFCCVEGCSA-N 0 3 294.351 2.035 20 5 CEBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602441872 347034769 /nfs/dbraw/zinc/03/47/69/347034769.db2.gz ZIRDKQUJZXLMOT-UHFFFAOYSA-N 0 3 252.318 2.093 20 5 CEBDHN CC(C)CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602441533 347034944 /nfs/dbraw/zinc/03/49/44/347034944.db2.gz OPYGUQVVBSTTDE-CYBMUJFWSA-N 0 3 291.351 2.247 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106228 344213883 /nfs/dbraw/zinc/21/38/83/344213883.db2.gz HRRLUAMHFLXZDI-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229964881 344569729 /nfs/dbraw/zinc/56/97/29/344569729.db2.gz GSWFFLXJKUCLOQ-LBPRGKRZSA-N 0 3 275.312 2.035 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)C1CCC1 ZINC000449739293 282347845 /nfs/dbraw/zinc/34/78/45/282347845.db2.gz JWTYTFWZTQDGKD-AWEZNQCLSA-N 0 3 264.325 2.154 20 5 CEBDHN CC(C)[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313842011 344743463 /nfs/dbraw/zinc/74/34/63/344743463.db2.gz QJIXCZATBBAXPC-ZDUSSCGKSA-N 0 3 293.302 2.030 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2C2(O)CC2)cc1 ZINC000584705554 344978127 /nfs/dbraw/zinc/97/81/27/344978127.db2.gz KCXHLBOETOLJIG-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN C[C@@H]1CN2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744290 344982805 /nfs/dbraw/zinc/98/28/05/344982805.db2.gz UTUPPIFWPRDIGJ-DGCLKSJQSA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000273938122 192370137 /nfs/dbraw/zinc/37/01/37/192370137.db2.gz CVTHTQZSTYHQLH-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000591147467 345225010 /nfs/dbraw/zinc/22/50/10/345225010.db2.gz CODBXWCVKFJCTK-GXFFZTMASA-N 0 3 296.346 2.295 20 5 CEBDHN Cc1c([C@H](C)NC[C@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243925 345233836 /nfs/dbraw/zinc/23/38/36/345233836.db2.gz XMNDYJSINDKEFD-NWDGAFQWSA-N 0 3 291.351 2.080 20 5 CEBDHN Cc1c(CN(C)[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593110265 345441204 /nfs/dbraw/zinc/44/12/04/345441204.db2.gz SXENAPQWGOWRFW-JTQLQIEISA-N 0 3 252.314 2.106 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCN1CCCCC1 ZINC000593515242 345501599 /nfs/dbraw/zinc/50/15/99/345501599.db2.gz DHHIBHRCLWNFBT-UHFFFAOYSA-N 0 3 295.387 2.042 20 5 CEBDHN CC(=O)c1ccc(N2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000057838789 362596401 /nfs/dbraw/zinc/59/64/01/362596401.db2.gz RADODTDHOPJBNZ-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN C[C@@H](COCC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000593681878 345520061 /nfs/dbraw/zinc/52/00/61/345520061.db2.gz KUKQLOCCRWJQEI-NSHDSACASA-N 0 3 264.325 2.500 20 5 CEBDHN Cc1c([C@@H](C)N[C@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718721 345526575 /nfs/dbraw/zinc/52/65/75/345526575.db2.gz PYVFTRRUUQZVBE-MNOVXSKESA-N 0 3 270.304 2.274 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719503 345527249 /nfs/dbraw/zinc/52/72/49/345527249.db2.gz YZSQTJYVHXNJAB-PWSUYJOCSA-N 0 3 270.304 2.274 20 5 CEBDHN CCC[C@@H](NC[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594514456 345641185 /nfs/dbraw/zinc/64/11/85/345641185.db2.gz YEOVTNGXYPERHZ-HUUCEWRRSA-N 0 3 296.367 2.423 20 5 CEBDHN COCC1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594516965 345642372 /nfs/dbraw/zinc/64/23/72/345642372.db2.gz ZSVFYBZAEOGAMB-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN CCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058888321 362642404 /nfs/dbraw/zinc/64/24/04/362642404.db2.gz KMTZZJGLEGFKKL-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000594954009 345715078 /nfs/dbraw/zinc/71/50/78/345715078.db2.gz VVRQQEFBSFMVKS-DZGCQCFKSA-N 0 3 294.351 2.044 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)CC1CC1 ZINC000594982770 345721438 /nfs/dbraw/zinc/72/14/38/345721438.db2.gz GNUSPFBAKPBEMW-ZDUSSCGKSA-N 0 3 278.352 2.401 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](CO)CC1CC1 ZINC000594982769 345721479 /nfs/dbraw/zinc/72/14/79/345721479.db2.gz GNUSPFBAKPBEMW-CYBMUJFWSA-N 0 3 278.352 2.401 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)CC2CC2)c(F)c1 ZINC000594983534 345721545 /nfs/dbraw/zinc/72/15/45/345721545.db2.gz OYEMNDSQFUPIMX-LLVKDONJSA-N 0 3 282.315 2.232 20 5 CEBDHN Cc1cncc(CCNCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594988326 345722531 /nfs/dbraw/zinc/72/25/31/345722531.db2.gz QDILZNZQAVKPRA-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2COC3(CCC3)C2)cc1 ZINC000595020353 345728734 /nfs/dbraw/zinc/72/87/34/345728734.db2.gz XAOZXNIDGGIOHE-LBPRGKRZSA-N 0 3 292.335 2.275 20 5 CEBDHN O=[N+]([O-])c1cccc(CCN[C@@H]2CCCn3nccc32)c1 ZINC000595033197 345731554 /nfs/dbraw/zinc/73/15/54/345731554.db2.gz BQIRUXDEYXHZST-CQSZACIVSA-N 0 3 286.335 2.459 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)OC ZINC000595043734 345733514 /nfs/dbraw/zinc/73/35/14/345733514.db2.gz ZRADTIDXMZGSMD-UWVGGRQHSA-N 0 3 268.313 2.289 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)C1CCC1 ZINC000595050725 345734978 /nfs/dbraw/zinc/73/49/78/345734978.db2.gz JSHQNHHMALWOJA-IINYFYTJSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595835781 345892549 /nfs/dbraw/zinc/89/25/49/345892549.db2.gz VLEUBNRAFGUJMN-DGCLKSJQSA-N 0 3 292.335 2.072 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000596307404 345995489 /nfs/dbraw/zinc/99/54/89/345995489.db2.gz MFZMREOXIIZVQG-LLVKDONJSA-N 0 3 264.329 2.275 20 5 CEBDHN CC(C)(C)N1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000596327054 346000894 /nfs/dbraw/zinc/00/08/94/346000894.db2.gz MZVWYHXHQCHZSM-SNVBAGLBSA-N 0 3 264.329 2.275 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C(C)(C)C)C1 ZINC000596336132 346002713 /nfs/dbraw/zinc/00/27/13/346002713.db2.gz MVBOBUUGZOKIQX-LLVKDONJSA-N 0 3 295.387 2.404 20 5 CEBDHN CCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596517564 346044502 /nfs/dbraw/zinc/04/45/02/346044502.db2.gz OTFOPCTVWBGASL-SECBINFHSA-N 0 3 268.292 2.025 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H](CO)C2)cs1 ZINC000336788461 365808966 /nfs/dbraw/zinc/80/89/66/365808966.db2.gz PITSIMCXCOQXKJ-GXSJLCMTSA-N 0 3 270.354 2.297 20 5 CEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597925825 346254332 /nfs/dbraw/zinc/25/43/32/346254332.db2.gz RYTKDTFGUQTYEJ-GFCCVEGCSA-N 0 3 291.351 2.197 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000061040869 362674184 /nfs/dbraw/zinc/67/41/84/362674184.db2.gz QPUOOLDUCUHKSU-UHFFFAOYSA-N 0 3 275.352 2.265 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000598342056 346331863 /nfs/dbraw/zinc/33/18/63/346331863.db2.gz CRFDXJOYYOHNAC-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000062010098 362701776 /nfs/dbraw/zinc/70/17/76/362701776.db2.gz XQUJYRZCIKJIBN-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000598677250 346399352 /nfs/dbraw/zinc/39/93/52/346399352.db2.gz NVGIYWQKZILHGJ-SMDDNHRTSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598677246 346399478 /nfs/dbraw/zinc/39/94/78/346399478.db2.gz NVGIYWQKZILHGJ-BXUZGUMPSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000600207206 346623500 /nfs/dbraw/zinc/62/35/00/346623500.db2.gz KOOZWFNAVUIRLT-GOEBONIOSA-N 0 3 290.363 2.498 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(=O)[nH]c1 ZINC000602649047 347123048 /nfs/dbraw/zinc/12/30/48/347123048.db2.gz GRQAEBUDYNYTPI-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1cccs1 ZINC000602780043 347195521 /nfs/dbraw/zinc/19/55/21/347195521.db2.gz DRDDLJNFHZJJLT-UHFFFAOYSA-N 0 3 294.380 2.336 20 5 CEBDHN C[C@@H]1C[C@@H]1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733894 347177665 /nfs/dbraw/zinc/17/76/65/347177665.db2.gz XHBLFHBDZAPRDB-JTNHKYCSSA-N 0 3 264.325 2.048 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000602752774 347186053 /nfs/dbraw/zinc/18/60/53/347186053.db2.gz UJMSLOVXUOKAEL-HNNXBMFYSA-N 0 3 275.352 2.121 20 5 CEBDHN CC[C@](C)(N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186562 347303326 /nfs/dbraw/zinc/30/33/26/347303326.db2.gz SLOXJVWTBRNJRQ-HZMBPMFUSA-N 0 3 289.339 2.380 20 5 CEBDHN CC(C)(C)[C@H](N)c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603205480 347309455 /nfs/dbraw/zinc/30/94/55/347309455.db2.gz CUDHCDRQOQJZNX-LLVKDONJSA-N 0 3 295.368 2.342 20 5 CEBDHN CCCCN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534411 362833287 /nfs/dbraw/zinc/83/32/87/362833287.db2.gz YVZPTJXDSMHWIH-UHFFFAOYSA-N 0 3 282.340 2.068 20 5 CEBDHN CC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610831063 347717201 /nfs/dbraw/zinc/71/72/01/347717201.db2.gz HDIWFMRZRNPBIV-NSHDSACASA-N 0 3 277.324 2.312 20 5 CEBDHN CS[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000611370866 347770353 /nfs/dbraw/zinc/77/03/53/347770353.db2.gz ZUQQJHQGQDERJA-ZJUUUORDSA-N 0 3 287.410 2.138 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611091922 347739053 /nfs/dbraw/zinc/73/90/53/347739053.db2.gz CWHUZJSRKYVTBG-LBPRGKRZSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H](O)C1CC1 ZINC000611207263 347751938 /nfs/dbraw/zinc/75/19/38/347751938.db2.gz UTFYSCWGDZTCIW-QMTHXVAHSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](CO)CC2)c(F)c1 ZINC000611498300 347786567 /nfs/dbraw/zinc/78/65/67/347786567.db2.gz XIDZYTUUCJJQFK-KLPPZKSPSA-N 0 3 282.315 2.375 20 5 CEBDHN CC(C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087027622 179381839 /nfs/dbraw/zinc/38/18/39/179381839.db2.gz UQXVQWVIMYSFFY-UHFFFAOYSA-N 0 3 258.705 2.109 20 5 CEBDHN CC[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1C ZINC000087027915 179381903 /nfs/dbraw/zinc/38/19/03/179381903.db2.gz AXUXVXBPUGMCEO-CYBMUJFWSA-N 0 3 252.314 2.154 20 5 CEBDHN Cc1ccc([C@H](C)NCC(C)(C)O)cc1[N+](=O)[O-] ZINC000087009748 179378436 /nfs/dbraw/zinc/37/84/36/179378436.db2.gz ITLFXFDXXNREOX-JTQLQIEISA-N 0 3 252.314 2.325 20 5 CEBDHN COc1cc(CN(C)CC2CC2)ccc1[N+](=O)[O-] ZINC000351970925 219271568 /nfs/dbraw/zinc/27/15/68/219271568.db2.gz MCMRDWQOMHRPOH-UHFFFAOYSA-N 0 3 250.298 2.445 20 5 CEBDHN CSC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825237 539731235 /nfs/dbraw/zinc/73/12/35/539731235.db2.gz AHYOZPFHQURLRZ-MFKMUULPSA-N 0 3 284.381 2.359 20 5 CEBDHN CC[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551201 180002460 /nfs/dbraw/zinc/00/24/60/180002460.db2.gz XICIHHAMAOTMNK-OAHLLOKOSA-N 0 3 293.367 2.269 20 5 CEBDHN C[C@@H](NCC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000091437130 180155247 /nfs/dbraw/zinc/15/52/47/180155247.db2.gz VWNHWMWFXYEZRH-SNVBAGLBSA-N 0 3 250.298 2.282 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000105328139 186052576 /nfs/dbraw/zinc/05/25/76/186052576.db2.gz ZHZOECDUGDPTHZ-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccc(OC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000271367425 191100357 /nfs/dbraw/zinc/10/03/57/191100357.db2.gz ORSXJZWUNWGMMI-ZDUSSCGKSA-N 0 3 292.335 2.227 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)CC ZINC000106449004 186117485 /nfs/dbraw/zinc/11/74/85/186117485.db2.gz CCNDYMMKFJMZCL-AWEZNQCLSA-N 0 3 282.340 2.244 20 5 CEBDHN CCC(O)(CC)CNCc1ccc([N+](=O)[O-])cc1 ZINC000111158850 186362494 /nfs/dbraw/zinc/36/24/94/186362494.db2.gz QAMUOJPUELMNER-UHFFFAOYSA-N 0 3 252.314 2.236 20 5 CEBDHN Cc1ccnc(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000070496194 363091629 /nfs/dbraw/zinc/09/16/29/363091629.db2.gz BKJDWBPTERZWNS-LLVKDONJSA-N 0 3 264.329 2.052 20 5 CEBDHN Cc1cn[nH]c1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000291697460 198061369 /nfs/dbraw/zinc/06/13/69/198061369.db2.gz YRYMVFLVIYIYIL-UHFFFAOYSA-N 0 3 274.324 2.301 20 5 CEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000122909626 187058916 /nfs/dbraw/zinc/05/89/16/187058916.db2.gz RTPZKLCHXLNZHA-NEPJUHHUSA-N 0 3 291.351 2.150 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000123866996 187112431 /nfs/dbraw/zinc/11/24/31/187112431.db2.gz MQWJYMZRWZIPHX-UHFFFAOYSA-N 0 3 279.340 2.009 20 5 CEBDHN Cc1c([C@H](C)NCCNC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000155431746 188205973 /nfs/dbraw/zinc/20/59/73/188205973.db2.gz FQAOHORQGIQTBX-NSHDSACASA-N 0 3 291.351 2.080 20 5 CEBDHN C[S@](=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865536 366408678 /nfs/dbraw/zinc/40/86/78/366408678.db2.gz FAMHXAAAYHTZTK-YUNKPMOVSA-N 0 3 294.376 2.083 20 5 CEBDHN CCC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463173 366441864 /nfs/dbraw/zinc/44/18/64/366441864.db2.gz QGBPIXAGUOLSJH-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](NCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000135461261 366442471 /nfs/dbraw/zinc/44/24/71/366442471.db2.gz SMSSPGUNVIYROR-JTQLQIEISA-N 0 3 250.298 2.160 20 5 CEBDHN C[C@@]1(O)C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000418118143 237292271 /nfs/dbraw/zinc/29/22/71/237292271.db2.gz SLBCNEAARNZZJE-WFEYYVJBSA-N 0 3 262.309 2.111 20 5 CEBDHN CN(CCNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000148521076 366583097 /nfs/dbraw/zinc/58/30/97/366583097.db2.gz PDJPFPCOFAYKKU-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN Cc1nn(C)c(NC[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000339002147 366609133 /nfs/dbraw/zinc/60/91/33/366609133.db2.gz IDXPJBNBGZWVJE-MNOVXSKESA-N 0 3 295.387 2.312 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000177054236 189025088 /nfs/dbraw/zinc/02/50/88/189025088.db2.gz CWSMXOBMZDXFFD-KOLCDFICSA-N 0 3 297.380 2.115 20 5 CEBDHN O=[N+]([O-])c1ccc2ncnc(NCCN3CCCC3)c2c1 ZINC000081589893 363733020 /nfs/dbraw/zinc/73/30/20/363733020.db2.gz PAHNLTFRCMQIGS-UHFFFAOYSA-N 0 3 287.323 2.046 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000152040575 366682960 /nfs/dbraw/zinc/68/29/60/366682960.db2.gz JCFITYOYJRVLMB-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@](C)(CO)C(C)C ZINC000353091833 219859342 /nfs/dbraw/zinc/85/93/42/219859342.db2.gz IQJRFCXKPKMGON-CQSZACIVSA-N 0 3 266.341 2.400 20 5 CEBDHN C[C@H](NCC[C@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446559 189255801 /nfs/dbraw/zinc/25/58/01/189255801.db2.gz OBICHUPJTQZZFM-QWRGUYRKSA-N 0 3 278.308 2.199 20 5 CEBDHN CCCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301686369 201137529 /nfs/dbraw/zinc/13/75/29/201137529.db2.gz XCPIVTIEQAOODC-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN C[C@H](NCC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000090517759 364060591 /nfs/dbraw/zinc/06/05/91/364060591.db2.gz BQBKKATWVPFLLW-ZHYXMNDGSA-N 0 3 284.381 2.403 20 5 CEBDHN CCOc1cc(NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000092623045 364089523 /nfs/dbraw/zinc/08/95/23/364089523.db2.gz BINFJVAINFJLLT-GFCCVEGCSA-N 0 3 279.340 2.500 20 5 CEBDHN CC[C@H](C)[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000112379448 364803014 /nfs/dbraw/zinc/80/30/14/364803014.db2.gz WINXGDGIGCXMPU-FZMZJTMJSA-N 0 3 266.341 2.482 20 5 CEBDHN COC[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112985454 364863072 /nfs/dbraw/zinc/86/30/72/364863072.db2.gz DHRSXDAMUVYXNW-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000115443956 365005456 /nfs/dbraw/zinc/00/54/56/365005456.db2.gz QIRQIJZYLZAGGS-LBPRGKRZSA-N 0 3 291.351 2.009 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H]2CC[C@H](CO)O2)cccc1[N+](=O)[O-] ZINC000340418201 366878926 /nfs/dbraw/zinc/87/89/26/366878926.db2.gz UCQUBAZFAHGJFV-RWMBFGLXSA-N 0 3 294.351 2.094 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000120736593 365468105 /nfs/dbraw/zinc/46/81/05/365468105.db2.gz NBNGMBGDEJZNCC-ZJUUUORDSA-N 0 3 297.380 2.069 20 5 CEBDHN CCC[C@@H](N)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120797295 365477301 /nfs/dbraw/zinc/47/73/01/365477301.db2.gz ZJUQJEDSURWMRW-CHWSQXEVSA-N 0 3 279.340 2.290 20 5 CEBDHN CCCN1CCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000342559015 367421177 /nfs/dbraw/zinc/42/11/77/367421177.db2.gz FAPFSEIICQCNEH-AWEZNQCLSA-N 0 3 291.351 2.085 20 5 CEBDHN O=C(NCCN1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172505516 367764467 /nfs/dbraw/zinc/76/44/67/367764467.db2.gz SAILHCPCOUDWEP-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1O ZINC000245900852 370884357 /nfs/dbraw/zinc/88/43/57/370884357.db2.gz PZLDMEGLQJHHOJ-UONOGXRCSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343451049 367822207 /nfs/dbraw/zinc/82/22/07/367822207.db2.gz NTUONWMZYJCZRP-FZMZJTMJSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1nc(N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343588296 367901935 /nfs/dbraw/zinc/90/19/35/367901935.db2.gz FWKZEOIIKIBOPP-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN COc1cc(CNCC(C)(C)OC)c([N+](=O)[O-])cc1OC ZINC000174596064 368044839 /nfs/dbraw/zinc/04/48/39/368044839.db2.gz JGPHUBIJFZRMDU-UHFFFAOYSA-N 0 3 298.339 2.127 20 5 CEBDHN Cc1cc(C(=O)N(C)CCN(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000186740792 369032297 /nfs/dbraw/zinc/03/22/97/369032297.db2.gz CRYVNCUGZLSWCF-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348543104 369079959 /nfs/dbraw/zinc/07/99/59/369079959.db2.gz FSXLXOAMSBEAPH-JSGCOSHPSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1sc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000276075211 193206582 /nfs/dbraw/zinc/20/65/82/193206582.db2.gz WPIZUTVERORLBE-UHFFFAOYSA-N 0 3 297.380 2.179 20 5 CEBDHN CN1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000349737543 369382736 /nfs/dbraw/zinc/38/27/36/369382736.db2.gz HZVURYMVUSDKNF-JTQLQIEISA-N 0 3 274.280 2.064 20 5 CEBDHN COCCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349804685 369405677 /nfs/dbraw/zinc/40/56/77/369405677.db2.gz QNRBDDCEPLXACS-ALCCZGGFSA-N 0 3 250.298 2.186 20 5 CEBDHN Cn1cncc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000352447333 369735800 /nfs/dbraw/zinc/73/58/00/369735800.db2.gz KNJRIBDIMPAKJP-XQRVVYSFSA-N 0 3 272.308 2.131 20 5 CEBDHN CC(C)[C@@](C)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000352896485 369939702 /nfs/dbraw/zinc/93/97/02/369939702.db2.gz XRPXCICUNIQYSR-CYBMUJFWSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@H]1COCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000353034688 369993850 /nfs/dbraw/zinc/99/38/50/369993850.db2.gz AVYJUURFECNEOW-WDEREUQCSA-N 0 3 282.315 2.496 20 5 CEBDHN CCC(CC)[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000225815347 370321236 /nfs/dbraw/zinc/32/12/36/370321236.db2.gz LYDFAOCMCYDHKP-CQSZACIVSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCOCC2CC2)cc1 ZINC000224529160 370279345 /nfs/dbraw/zinc/27/93/45/370279345.db2.gz IVMBMRPZUHBFLJ-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN C[C@H](O)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227953087 370388928 /nfs/dbraw/zinc/38/89/28/370388928.db2.gz TYIVLCUITJUKGG-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000354352935 370328381 /nfs/dbraw/zinc/32/83/81/370328381.db2.gz KCZIRUQLBMTKHL-RYUDHWBXSA-N 0 3 278.356 2.299 20 5 CEBDHN C[C@@H](CO)CCCNCc1csc([N+](=O)[O-])c1 ZINC000230159974 370442922 /nfs/dbraw/zinc/44/29/22/370442922.db2.gz ALLZBTKPQSJEHF-SECBINFHSA-N 0 3 258.343 2.155 20 5 CEBDHN CO[C@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884742 370497115 /nfs/dbraw/zinc/49/71/15/370497115.db2.gz ULFZLAURGYDQFL-WDEREUQCSA-N 0 3 252.314 2.416 20 5 CEBDHN CSCC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321134 371013562 /nfs/dbraw/zinc/01/35/62/371013562.db2.gz QQPAKLOURNRPBF-CMPLNLGQSA-N 0 3 284.381 2.359 20 5 CEBDHN CCOc1ccc([C@H](C)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000358346568 371026541 /nfs/dbraw/zinc/02/65/41/371026541.db2.gz RONZWEMEUSGPIF-LBPRGKRZSA-N 0 3 293.367 2.350 20 5 CEBDHN COC(=O)[C@H](C)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742141 284250622 /nfs/dbraw/zinc/25/06/22/284250622.db2.gz NXZHZWBGGJJTSN-MNOVXSKESA-N 0 3 280.324 2.397 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000250137208 371379139 /nfs/dbraw/zinc/37/91/39/371379139.db2.gz YIIWNQFWUKZHAE-YWPYICTPSA-N 0 3 292.335 2.261 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000361239659 371733260 /nfs/dbraw/zinc/73/32/60/371733260.db2.gz WUSPXAWWZJNPGU-CYBMUJFWSA-N 0 3 250.298 2.206 20 5 CEBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361650943 372002613 /nfs/dbraw/zinc/00/26/13/372002613.db2.gz CFKVSXQMGWTBQP-UDGJJRABSA-N 0 3 276.336 2.168 20 5 CEBDHN Cc1ccnc(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265158656 372016250 /nfs/dbraw/zinc/01/62/50/372016250.db2.gz DIOMNHFBZATAJK-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN C[C@@H]1C[C@H](CO)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174523 217084870 /nfs/dbraw/zinc/08/48/70/217084870.db2.gz QQRBKHIALACVOM-TZMCWYRMSA-N 0 3 278.352 2.230 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174522 217085740 /nfs/dbraw/zinc/08/57/40/217085740.db2.gz QQRBKHIALACVOM-OCCSQVGLSA-N 0 3 278.352 2.230 20 5 CEBDHN CCN1C[C@@H](C)[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344205623 217098037 /nfs/dbraw/zinc/09/80/37/217098037.db2.gz DGGJBFOLHZOAQQ-RISCZKNCSA-N 0 3 293.367 2.033 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](C)C1 ZINC000362091609 372215531 /nfs/dbraw/zinc/21/55/31/372215531.db2.gz WHRBPZIUFGEMKD-NQBHXWOUSA-N 0 3 264.325 2.216 20 5 CEBDHN CC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268740634 372204371 /nfs/dbraw/zinc/20/43/71/372204371.db2.gz XWJUVNCNUYMUSN-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729990 372550327 /nfs/dbraw/zinc/55/03/27/372550327.db2.gz XMMMYLUMMSJDNP-RISCZKNCSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1ccc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000269922647 372599898 /nfs/dbraw/zinc/59/98/98/372599898.db2.gz LGQWZWWRULFTNF-UHFFFAOYSA-N 0 3 293.367 2.162 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCc1cn[nH]c1 ZINC000289842367 197503378 /nfs/dbraw/zinc/50/33/78/197503378.db2.gz NIXVPEFRLYUVGA-UHFFFAOYSA-N 0 3 280.715 2.304 20 5 CEBDHN CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000271009978 373063006 /nfs/dbraw/zinc/06/30/06/373063006.db2.gz HQTMRVIRWGCSEJ-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN COC[C@@H](CNC/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000344798161 217313499 /nfs/dbraw/zinc/31/34/99/217313499.db2.gz RIOWJNAEQKEPPG-CUXKMMBLSA-N 0 3 294.351 2.249 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374412065 374567177 /nfs/dbraw/zinc/56/71/77/374567177.db2.gz PPGXYOVQXACGCC-OCCSQVGLSA-N 0 3 276.336 2.453 20 5 CEBDHN CCOC1CC(O)(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000278464953 374825997 /nfs/dbraw/zinc/82/59/97/374825997.db2.gz NACRVSPUAQZMSU-VCANKDNSSA-N 0 3 294.351 2.175 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)CC2CCC2)cs1 ZINC000279776777 374982400 /nfs/dbraw/zinc/98/24/00/374982400.db2.gz KYLYIVPDWWUTBJ-LLVKDONJSA-N 0 3 270.354 2.297 20 5 CEBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000387496372 321878890 /nfs/dbraw/zinc/87/88/90/321878890.db2.gz XBCQCDPMUQAYOU-JQWIXIFHSA-N 0 3 252.314 2.152 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCCN1C(C)C ZINC000412998248 375773770 /nfs/dbraw/zinc/77/37/70/375773770.db2.gz YDJRXPRHAWZOQB-LBPRGKRZSA-N 0 3 266.345 2.363 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCC2(O)CCC2)cs1 ZINC000284090261 375806763 /nfs/dbraw/zinc/80/67/63/375806763.db2.gz ROPUKUJLIALDGP-UHFFFAOYSA-N 0 3 256.327 2.051 20 5 CEBDHN C[C@]1(F)CNCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414770809 375959686 /nfs/dbraw/zinc/95/96/86/375959686.db2.gz PLKYYVCSHQVGFL-DRDHIDPGSA-N 0 3 293.342 2.241 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[C@H]1O ZINC000286532481 375985892 /nfs/dbraw/zinc/98/58/92/375985892.db2.gz NVLPYEXNHHIVKH-CHWSQXEVSA-N 0 3 268.288 2.079 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CO)C1 ZINC000263793824 190079151 /nfs/dbraw/zinc/07/91/51/190079151.db2.gz RGMWLOONWBUIEH-NEPJUHHUSA-N 0 3 264.325 2.360 20 5 CEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)C ZINC000289921064 376559048 /nfs/dbraw/zinc/55/90/48/376559048.db2.gz VSPRCFYZFBKJLL-JTQLQIEISA-N 0 3 294.355 2.229 20 5 CEBDHN C[C@@H](O)[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423430 190108949 /nfs/dbraw/zinc/10/89/49/190108949.db2.gz MVNUBCTWJBQNBM-DOMZBBRYSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000423278449 377205092 /nfs/dbraw/zinc/20/50/92/377205092.db2.gz PZJDPWXVOSHVJG-IINYFYTJSA-N 0 3 291.351 2.208 20 5 CEBDHN C[C@@H]1CC[C@@H](NCc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331101068 377280705 /nfs/dbraw/zinc/28/07/05/377280705.db2.gz DDEKEQPQZKGUMG-OUAUKWLOSA-N 0 3 266.345 2.243 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@H](C)C1 ZINC000331135121 377295806 /nfs/dbraw/zinc/29/58/06/377295806.db2.gz IAHQLYFMVBUTQE-SUNKGSAMSA-N 0 3 264.325 2.359 20 5 CEBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)O ZINC000293013016 377393618 /nfs/dbraw/zinc/39/36/18/377393618.db2.gz ODVRZEXEAOOEMN-ZDUSSCGKSA-N 0 3 282.340 2.243 20 5 CEBDHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292926739 377353836 /nfs/dbraw/zinc/35/38/36/377353836.db2.gz GRAGYPMQYLFNHS-CYBMUJFWSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1nccnc1CCNCc1ccccc1[N+](=O)[O-] ZINC000293235030 377484787 /nfs/dbraw/zinc/48/47/87/377484787.db2.gz ZKQZHFCEUCZACV-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293401665 377552387 /nfs/dbraw/zinc/55/23/87/377552387.db2.gz LPDFHGDENXYIDS-MNOVXSKESA-N 0 3 250.298 2.314 20 5 CEBDHN CSC[C@](C)(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000265664177 190197858 /nfs/dbraw/zinc/19/78/58/190197858.db2.gz DGPKTRKOQCGQCB-HZRUHFOJSA-N 0 3 296.392 2.312 20 5 CEBDHN CC(C)O[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000565537900 377670786 /nfs/dbraw/zinc/67/07/86/377670786.db2.gz MRNKNHQQQOEMDY-CYBMUJFWSA-N 0 3 294.351 2.473 20 5 CEBDHN COC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659499 378002771 /nfs/dbraw/zinc/00/27/71/378002771.db2.gz HFRRIRCMJNFQGN-RNCFNFMXSA-N 0 3 279.340 2.253 20 5 CEBDHN C[C@H](O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450458791 378429493 /nfs/dbraw/zinc/42/94/93/378429493.db2.gz JHFVNRWBHCPZCO-LBPRGKRZSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000450791596 378581717 /nfs/dbraw/zinc/58/17/17/378581717.db2.gz MGWKSSWRRLMDFH-RISCZKNCSA-N 0 3 261.325 2.044 20 5 CEBDHN CN1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000298725954 378813922 /nfs/dbraw/zinc/81/39/22/378813922.db2.gz UCBOZSHNUKOKEZ-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454371995 379000697 /nfs/dbraw/zinc/00/06/97/379000697.db2.gz ZGXWTAGEZYIRFS-UHFFFAOYSA-N 0 3 298.318 2.196 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H](O)C2(CC2)C1 ZINC000347371262 218209601 /nfs/dbraw/zinc/20/96/01/218209601.db2.gz JQNYWFGQYZQJMR-BLMSOEDDSA-N 0 3 288.347 2.455 20 5 CEBDHN COc1ccc(CN2CCC[C@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000305254409 379699225 /nfs/dbraw/zinc/69/92/25/379699225.db2.gz MXPPQROGCVPKBS-AWEZNQCLSA-N 0 3 294.351 2.339 20 5 CEBDHN COc1ccc(CNCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525800449 379671050 /nfs/dbraw/zinc/67/10/50/379671050.db2.gz HRFXMKWBURQQIM-LBPRGKRZSA-N 0 3 293.367 2.035 20 5 CEBDHN C[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034059 190371703 /nfs/dbraw/zinc/37/17/03/190371703.db2.gz LVOQOUPLPRDJQT-GHMZBOCLSA-N 0 3 277.324 2.312 20 5 CEBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489415888 380188016 /nfs/dbraw/zinc/18/80/16/380188016.db2.gz RTWFWDPBRSOPOP-FZMZJTMJSA-N 0 3 294.351 2.065 20 5 CEBDHN Cc1cc(N2CC[C@@H](OCCN(C)C)C2)ccc1[N+](=O)[O-] ZINC000538937477 380247314 /nfs/dbraw/zinc/24/73/14/380247314.db2.gz XRLFHQKJVWGOAR-CQSZACIVSA-N 0 3 293.367 2.060 20 5 CEBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279086345 194277959 /nfs/dbraw/zinc/27/79/59/194277959.db2.gz ORUOTVPOCZMUMS-ZFWWWQNUSA-N 0 3 294.351 2.187 20 5 CEBDHN CO[C@]1(C)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000279337222 194390316 /nfs/dbraw/zinc/39/03/16/194390316.db2.gz PHEXZDSRIWGLQP-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000264645673 285166481 /nfs/dbraw/zinc/16/64/81/285166481.db2.gz WGXNTRSJSUYTSO-GFCCVEGCSA-N 0 3 276.340 2.054 20 5 CEBDHN CN1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288632148 197132605 /nfs/dbraw/zinc/13/26/05/197132605.db2.gz YNVISAAVOAITOF-MRVPVSSYSA-N 0 3 293.352 2.106 20 5 CEBDHN C[C@H](CCCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094942059 184898784 /nfs/dbraw/zinc/89/87/84/184898784.db2.gz KPRNKAUPBLXSPJ-MNOVXSKESA-N 0 3 252.314 2.406 20 5 CEBDHN CC(C)N1CCCC[C@@H]1Cn1nccc1[N+](=O)[O-] ZINC000412988709 394452916 /nfs/dbraw/zinc/45/29/16/394452916.db2.gz DWEJOJWMTHQTQY-LLVKDONJSA-N 0 3 252.318 2.054 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCC2(O)CCC2)cs1 ZINC000421378303 394517293 /nfs/dbraw/zinc/51/72/93/394517293.db2.gz SOKKSWRVYGLPJW-UHFFFAOYSA-N 0 3 270.354 2.441 20 5 CEBDHN COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000265821113 394654240 /nfs/dbraw/zinc/65/42/40/394654240.db2.gz RVLCIJMJOKHMLX-LBPRGKRZSA-N 0 3 250.298 2.063 20 5 CEBDHN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331264421 394629581 /nfs/dbraw/zinc/62/95/81/394629581.db2.gz GMPIXKYLOVMLSO-OCCSQVGLSA-N 0 3 294.351 2.066 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000115434753 394755146 /nfs/dbraw/zinc/75/51/46/394755146.db2.gz RXELBNAYMMNTRE-LBPRGKRZSA-N 0 3 291.351 2.009 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)n1 ZINC000120797598 394784485 /nfs/dbraw/zinc/78/44/85/394784485.db2.gz HHVHTUVYGUBFBG-UHFFFAOYSA-N 0 3 276.340 2.337 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cnccc1N ZINC000423009853 394880388 /nfs/dbraw/zinc/88/03/88/394880388.db2.gz FDSUVEJSSHRBBY-LLVKDONJSA-N 0 3 286.335 2.296 20 5 CEBDHN COC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278881248 394838075 /nfs/dbraw/zinc/83/80/75/394838075.db2.gz SOEVOKJTNYNEIT-CQDKDKBSSA-N 0 3 294.351 2.439 20 5 CEBDHN COCC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000291638401 395147877 /nfs/dbraw/zinc/14/78/77/395147877.db2.gz BFLYOAPAQIRSPE-UHFFFAOYSA-N 0 3 294.351 2.128 20 5 CEBDHN C[C@@H](CCO)CCNCc1ccccc1[N+](=O)[O-] ZINC000397619616 395224114 /nfs/dbraw/zinc/22/41/14/395224114.db2.gz GFFCXYPMRSMTKX-LLVKDONJSA-N 0 3 252.314 2.093 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000192128737 395373655 /nfs/dbraw/zinc/37/36/55/395373655.db2.gz HXWHBSGUUOPJIR-CMPLNLGQSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420637844 395396833 /nfs/dbraw/zinc/39/68/33/395396833.db2.gz PBFHWPWEDUTOSM-LBPRGKRZSA-N 0 3 278.356 2.137 20 5 CEBDHN Cc1nc(NCCN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000443959562 395407202 /nfs/dbraw/zinc/40/72/02/395407202.db2.gz HZYIBAYAJCRXTF-UHFFFAOYSA-N 0 3 292.383 2.254 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355340763 395414881 /nfs/dbraw/zinc/41/48/81/395414881.db2.gz WXWZAWMXLDTUGU-GHMZBOCLSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1ccc(CN(C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000355372307 395426256 /nfs/dbraw/zinc/42/62/56/395426256.db2.gz VJAHPQGGIIIVOL-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000355374395 395427645 /nfs/dbraw/zinc/42/76/45/395427645.db2.gz YRSJSFYJJKLNTE-DAXSKMNVSA-N 0 3 276.336 2.455 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC12CCCC2 ZINC000451457834 395620093 /nfs/dbraw/zinc/62/00/93/395620093.db2.gz NTMXPPTWGOOCTK-LLVKDONJSA-N 0 3 264.329 2.141 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H](C)O ZINC000449544289 395554181 /nfs/dbraw/zinc/55/41/81/395554181.db2.gz QEMPRTRHRVEFKE-ZWNOBZJWSA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)cs1 ZINC000190340604 153124436 /nfs/dbraw/zinc/12/44/36/153124436.db2.gz CQVDRMCBSPPOBN-MXWKQRLJSA-N 0 3 268.338 2.313 20 5 CEBDHN COc1ccc(CNCC2(C)CC2)cc1[N+](=O)[O-] ZINC000224185097 153321971 /nfs/dbraw/zinc/32/19/71/153321971.db2.gz AWIGCZAHINPNNR-UHFFFAOYSA-N 0 3 250.298 2.493 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CCCCC[C@H]21 ZINC000367123357 156137510 /nfs/dbraw/zinc/13/75/10/156137510.db2.gz QGIYYXVOBCLXOF-GXTWGEPZSA-N 0 3 291.351 2.021 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168540440 162365703 /nfs/dbraw/zinc/36/57/03/162365703.db2.gz FQIDZTPKKKVUQU-RMDKCXRXSA-N 0 3 284.381 2.321 20 5 CEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000174008000 165090152 /nfs/dbraw/zinc/09/01/52/165090152.db2.gz ZZZLYVUSRPRQLO-TXEJJXNPSA-N 0 3 291.351 2.084 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(C2)CCCCC3)c1 ZINC000174875819 165119135 /nfs/dbraw/zinc/11/91/35/165119135.db2.gz FSVRRIAGFDNGJS-UHFFFAOYSA-N 0 3 278.356 2.448 20 5 CEBDHN CCC[C@H](NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188653 171053258 /nfs/dbraw/zinc/05/32/58/171053258.db2.gz UBVRZAUTIGBKRT-ZDUSSCGKSA-N 0 3 252.314 2.408 20 5 CEBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000020208228 171071913 /nfs/dbraw/zinc/07/19/13/171071913.db2.gz OUDYDBYAOYHTHH-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCCO1 ZINC000035247560 172078643 /nfs/dbraw/zinc/07/86/43/172078643.db2.gz NMWPTKWMYLGNSW-GWCFXTLKSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1c(CN(C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000078727925 177377438 /nfs/dbraw/zinc/37/74/38/177377438.db2.gz RJSOJXHDCUMRHE-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078738588 177379425 /nfs/dbraw/zinc/37/94/25/177379425.db2.gz SYMSUJXQUCKLCX-UHFFFAOYSA-N 0 3 252.314 2.188 20 5 CEBDHN COc1ccc(OCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000193997643 270291238 /nfs/dbraw/zinc/29/12/38/270291238.db2.gz HZHUMDKJWRKKQS-UHFFFAOYSA-N 0 3 280.324 2.468 20 5 CEBDHN Cc1c([C@H](C)NCCCCO)cccc1[N+](=O)[O-] ZINC000194227122 270294524 /nfs/dbraw/zinc/29/45/24/270294524.db2.gz WCIZSTDABIOCEZ-NSHDSACASA-N 0 3 252.314 2.326 20 5 CEBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000395267848 270346223 /nfs/dbraw/zinc/34/62/23/270346223.db2.gz JWDXESNHXOVMOJ-CWSCBRNRSA-N 0 3 252.314 2.405 20 5 CEBDHN Cc1c([C@H](C)N[C@@H]2CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000424318155 271044510 /nfs/dbraw/zinc/04/45/10/271044510.db2.gz PELMOVUAADGHRI-UFGOTCBOSA-N 0 3 250.298 2.077 20 5 CEBDHN COCCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000172175348 274018811 /nfs/dbraw/zinc/01/88/11/274018811.db2.gz GLGKJUSTHGWIBP-UHFFFAOYSA-N 0 3 252.314 2.453 20 5 CEBDHN C[C@@H](CCO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882655 274210251 /nfs/dbraw/zinc/21/02/51/274210251.db2.gz DAXYOUAAQQMCTI-IINYFYTJSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294912 274273454 /nfs/dbraw/zinc/27/34/54/274273454.db2.gz DETRGZVNCYKBAZ-YGRLFVJLSA-N 0 3 264.325 2.333 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295086364 276437935 /nfs/dbraw/zinc/43/79/35/276437935.db2.gz RAUGVKPBBLQIEF-MNOVXSKESA-N 0 3 274.267 2.089 20 5 CEBDHN Cc1ccnc(N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286472914 278986329 /nfs/dbraw/zinc/98/63/29/278986329.db2.gz VZELDZGSCHDHDR-QWHCGFSZSA-N 0 3 290.367 2.361 20 5 CEBDHN C[C@@H](N[C@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455979 281238028 /nfs/dbraw/zinc/23/80/28/281238028.db2.gz SOFAUCDPWXXVEG-SCZZXKLOSA-N 0 3 274.267 2.262 20 5 CEBDHN C[C@@H]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576144 281247194 /nfs/dbraw/zinc/24/71/94/281247194.db2.gz BMJKRQLZXGMAQD-ZWNOBZJWSA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCn1ccnc1 ZINC000155690307 289180338 /nfs/dbraw/zinc/18/03/38/289180338.db2.gz ZRCNSDKQUGDCHS-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN COCCOCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532467838 298145247 /nfs/dbraw/zinc/14/52/47/298145247.db2.gz KGLLVRRXCUSDCH-LBPRGKRZSA-N 0 3 282.340 2.217 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)C(C)C ZINC000536862412 298206350 /nfs/dbraw/zinc/20/63/50/298206350.db2.gz HOJRAQKWENTJMC-LBPRGKRZSA-N 0 3 293.367 2.326 20 5 CEBDHN C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000541597178 298281949 /nfs/dbraw/zinc/28/19/49/298281949.db2.gz NPTRSMDKQZXUOZ-SNVBAGLBSA-N 0 3 289.335 2.454 20 5 CEBDHN C[C@H](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000090517760 298439950 /nfs/dbraw/zinc/43/99/50/298439950.db2.gz BQBKKATWVPFLLW-RMDKCXRXSA-N 0 3 284.381 2.403 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CCN(C)C[C@@H]32)n1 ZINC000408172667 301204855 /nfs/dbraw/zinc/20/48/55/301204855.db2.gz ZCDPSGSYAVUSRD-OLZOCXBDSA-N 0 3 290.367 2.137 20 5 CEBDHN C/C=C\C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000349856380 312900814 /nfs/dbraw/zinc/90/08/14/312900814.db2.gz RZOSOWWOXLIAKX-DLGQBQFBSA-N 0 3 250.298 2.012 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000507162904 313044603 /nfs/dbraw/zinc/04/46/03/313044603.db2.gz WYCQAWXAFAHFLL-UHFFFAOYSA-N 0 3 250.298 2.206 20 5 CEBDHN CC(C)OC[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554552922 313636818 /nfs/dbraw/zinc/63/68/18/313636818.db2.gz JJXUHJCEZWQEAW-LBPRGKRZSA-N 0 3 282.340 2.377 20 5 CEBDHN CC(C)(CO)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000385940170 321866399 /nfs/dbraw/zinc/86/63/99/321866399.db2.gz VZUOZQAXQMEWDI-UHFFFAOYSA-N 0 3 270.304 2.232 20 5 CEBDHN CCNC(=O)C(C)(C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183213862 521733118 /nfs/dbraw/zinc/73/31/18/521733118.db2.gz SAGVEFVYGCGHBF-NSHDSACASA-N 0 3 293.367 2.408 20 5 CEBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000067701444 522859666 /nfs/dbraw/zinc/85/96/66/522859666.db2.gz HRAMRLSONRHEOC-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000061379527 523617564 /nfs/dbraw/zinc/61/75/64/523617564.db2.gz LJPHNOJLHJKCEX-UHFFFAOYSA-N 0 3 287.747 2.238 20 5 CEBDHN CCCCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357900002 528571340 /nfs/dbraw/zinc/57/13/40/528571340.db2.gz AKAWMMANQXMHNE-UHFFFAOYSA-N 0 3 296.371 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CCO)C1CC1 ZINC000741259321 574979634 /nfs/dbraw/zinc/97/96/34/574979634.db2.gz WBXAODWPUXCJJV-LBPRGKRZSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1cccc(C(=O)NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742238217 575012853 /nfs/dbraw/zinc/01/28/53/575012853.db2.gz XNEIQBJJZMTLLB-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1C[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])CCN1C ZINC000742411891 575020635 /nfs/dbraw/zinc/02/06/35/575020635.db2.gz JUMOYQQPJHNXJV-WDEREUQCSA-N 0 3 289.339 2.137 20 5 CEBDHN Cc1cccc(CSCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115141 623079855 /nfs/dbraw/zinc/07/98/55/623079855.db2.gz LCNZMZLTKSWUKH-LLVKDONJSA-N 0 3 283.349 2.437 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194234 624309074 /nfs/dbraw/zinc/30/90/74/624309074.db2.gz BBEBIYISAFRADS-BXKDBHETSA-N 0 3 293.348 2.436 20 5 CEBDHN Cc1c(CNCCOCC(F)F)cccc1[N+](=O)[O-] ZINC000235755052 625734613 /nfs/dbraw/zinc/73/46/13/625734613.db2.gz XJMZAPFOQCJQQP-UHFFFAOYSA-N 0 3 274.267 2.275 20 5 CEBDHN Cc1cc(C)c(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000893046925 627968175 /nfs/dbraw/zinc/96/81/75/627968175.db2.gz HTHYKJOVPVLNNT-QMMMGPOBSA-N 0 3 257.311 2.116 20 5 CEBDHN Cc1nc(N2CCN(C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000895100629 629896345 /nfs/dbraw/zinc/89/63/45/629896345.db2.gz CUNYGLHYYZJHHB-ZDUSSCGKSA-N 0 3 292.383 2.465 20 5 CEBDHN CC(C)O[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000797282014 630201805 /nfs/dbraw/zinc/20/18/05/630201805.db2.gz RVZWWMGSFPHOOQ-DGCLKSJQSA-N 0 3 281.308 2.361 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2C2CCOCC2)s1 ZINC000896517811 630587370 /nfs/dbraw/zinc/58/73/70/630587370.db2.gz JVPATUAZDHCUPW-NSHDSACASA-N 0 3 297.380 2.322 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)CN1C ZINC000801526767 631283047 /nfs/dbraw/zinc/28/30/47/631283047.db2.gz XBVIKJGPUVXMBU-GHMZBOCLSA-N 0 3 281.331 2.258 20 5 CEBDHN CCN(CC)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813103526 632621514 /nfs/dbraw/zinc/62/15/14/632621514.db2.gz CYFVOKQUMMKIMA-GXTWGEPZSA-N 0 3 294.351 2.278 20 5 CEBDHN CC(COC(=O)Cc1coc2cc(F)ccc12)[N+](=O)[O-] ZINC000813102888 632621853 /nfs/dbraw/zinc/62/18/53/632621853.db2.gz KZPLECKXLCWFDQ-MRVPVSSYSA-N 0 3 281.239 2.323 20 5 CEBDHN CSc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103568 632622065 /nfs/dbraw/zinc/62/20/65/632622065.db2.gz QPEZOHXVDUBVGH-LURJTMIESA-N 0 3 261.324 2.292 20 5 CEBDHN CC(COC(=O)c1cc(F)c(Cl)cc1F)[N+](=O)[O-] ZINC000813103187 632622158 /nfs/dbraw/zinc/62/21/58/632622158.db2.gz YUDHRFRSENZRNX-YFKPBYRVSA-N 0 3 279.626 2.440 20 5 CEBDHN CC(COC(=O)C1(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813102038 632622172 /nfs/dbraw/zinc/62/21/72/632622172.db2.gz ADPDZGRCPSGPHO-LLVKDONJSA-N 0 3 263.293 2.218 20 5 CEBDHN CC(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N+](=O)[O-] ZINC000813105956 632623831 /nfs/dbraw/zinc/62/38/31/632623831.db2.gz WJNAEEVOMVUAEV-ZETCQYMHSA-N 0 3 294.219 2.163 20 5 CEBDHN COc1ccccc1[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106751 632624227 /nfs/dbraw/zinc/62/42/27/632624227.db2.gz HJUMIAWGLLHDPU-MNOVXSKESA-N 0 3 281.308 2.397 20 5 CEBDHN Cc1nc(C(C)C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107812 632624452 /nfs/dbraw/zinc/62/44/52/632624452.db2.gz XAABKQAHDVVLGK-ZETCQYMHSA-N 0 3 272.326 2.397 20 5 CEBDHN CC(COC(=O)CCc1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813106629 632625016 /nfs/dbraw/zinc/62/50/16/632625016.db2.gz FWGATQOOGOBMGU-LLVKDONJSA-N 0 3 290.319 2.319 20 5 CEBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813108728 632625389 /nfs/dbraw/zinc/62/53/89/632625389.db2.gz LFBGEFKNKFMXKF-ZETCQYMHSA-N 0 3 258.299 2.089 20 5 CEBDHN Cc1cc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813108064 632625910 /nfs/dbraw/zinc/62/59/10/632625910.db2.gz UUCGGWMXDPDJQM-LBPRGKRZSA-N 0 3 265.309 2.363 20 5 CEBDHN CC(COC(=O)[C@]1(C)CCCc2ccccc21)[N+](=O)[O-] ZINC000813108121 632626005 /nfs/dbraw/zinc/62/60/05/632626005.db2.gz AOTWIBHXAKVWJS-IAQYHMDHSA-N 0 3 277.320 2.489 20 5 CEBDHN Cc1cc(Br)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109646 632626504 /nfs/dbraw/zinc/62/65/04/632626504.db2.gz NMGMELPRWDSSCG-ZCFIWIBFSA-N 0 3 292.085 2.173 20 5 CEBDHN CC(COC(=O)c1cccc2ncccc21)[N+](=O)[O-] ZINC000813109582 632626782 /nfs/dbraw/zinc/62/67/82/632626782.db2.gz MPVRLFPOVOCLQI-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN COc1ccccc1C[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112582 632627739 /nfs/dbraw/zinc/62/77/39/632627739.db2.gz IUBHMFHXOMYSKN-NEPJUHHUSA-N 0 3 295.335 2.472 20 5 CEBDHN CC(COC(=O)c1csc2c1CCCC2)[N+](=O)[O-] ZINC000813113641 632628071 /nfs/dbraw/zinc/62/80/71/632628071.db2.gz HILLSTBODILNEQ-QMMMGPOBSA-N 0 3 269.322 2.449 20 5 CEBDHN CC(COC(=O)/C=C\c1cccc(F)c1)[N+](=O)[O-] ZINC000813113438 632628115 /nfs/dbraw/zinc/62/81/15/632628115.db2.gz PXHLIVITJOUYOA-UDIARPCQSA-N 0 3 253.229 2.047 20 5 CEBDHN COCc1c2ccccc2oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113012 632628404 /nfs/dbraw/zinc/62/84/04/632628404.db2.gz NWLKPTZOWSVDKG-SECBINFHSA-N 0 3 293.275 2.401 20 5 CEBDHN COc1ccc(/C=C(\C)C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813114701 632629566 /nfs/dbraw/zinc/62/95/66/632629566.db2.gz VJFJYFVUXHZCPN-ZKXNXJMVSA-N 0 3 297.282 2.446 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCO[C@H]2CCCCO2)cc1 ZINC000813332571 632670513 /nfs/dbraw/zinc/67/05/13/632670513.db2.gz CKGLSEHWNLDOGZ-AWEZNQCLSA-N 0 3 280.324 2.228 20 5 CEBDHN Cc1occc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818969811 634021865 /nfs/dbraw/zinc/02/18/65/634021865.db2.gz IUWKTDNHXVRYIW-CQSZACIVSA-N 0 3 276.292 2.319 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2CO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194332 635005372 /nfs/dbraw/zinc/00/53/72/635005372.db2.gz MZWVTNMSCVICKH-JBLDHEPKSA-N 0 3 280.324 2.431 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccc(Cl)cc2)CC1 ZINC000905087714 635801551 /nfs/dbraw/zinc/80/15/51/635801551.db2.gz GSPZJXZGABRTTO-UHFFFAOYSA-N 0 3 254.717 2.238 20 5 CEBDHN CSc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835453697 638262344 /nfs/dbraw/zinc/26/23/44/638262344.db2.gz GHZOJDUUQPKWMZ-MRVPVSSYSA-N 0 3 255.295 2.231 20 5 CEBDHN C[C@@H](O)CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000227721314 639602557 /nfs/dbraw/zinc/60/25/57/639602557.db2.gz FSIPUUPEYSFICU-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN CCOc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000842363986 640030565 /nfs/dbraw/zinc/03/05/65/640030565.db2.gz QSGPNJATPCHLLN-VXGBXAGGSA-N 0 3 295.335 2.472 20 5 CEBDHN CC(C)(CCc1noc([C@H]2CC[C@H](C3CC3)N2)n1)[N+](=O)[O-] ZINC000844920565 640866399 /nfs/dbraw/zinc/86/63/99/640866399.db2.gz SUFARSNDQOLBBC-GHMZBOCLSA-N 0 3 294.355 2.261 20 5 CEBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000156494559 643314554 /nfs/dbraw/zinc/31/45/54/643314554.db2.gz DKHRMCPAQXRAPI-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000857028908 644792397 /nfs/dbraw/zinc/79/23/97/644792397.db2.gz GRYPFGTWLMXGLM-JGAIRUGNSA-N 0 3 255.295 2.360 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)c1ccco1 ZINC000757817588 644848743 /nfs/dbraw/zinc/84/87/43/644848743.db2.gz HVMBQPBJQUAGDX-CYBMUJFWSA-N 0 3 276.292 2.319 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2cn[nH]c21 ZINC000857856596 644983522 /nfs/dbraw/zinc/98/35/22/644983522.db2.gz AWYAWIXMPNFGNS-LBPRGKRZSA-N 0 3 272.308 2.485 20 5 CEBDHN Cc1ccccc1C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777183 645902569 /nfs/dbraw/zinc/90/25/69/645902569.db2.gz MBOCMFWTFXJREC-NWDGAFQWSA-N 0 3 265.309 2.382 20 5 CEBDHN Cc1c(CNC(=O)C2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000791018195 648472530 /nfs/dbraw/zinc/47/25/30/648472530.db2.gz OOXSWTAEOLLITC-UHFFFAOYSA-N 0 3 291.351 2.004 20 5 CEBDHN C[C@@H](NC[C@H]1CCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026487 649245221 /nfs/dbraw/zinc/24/52/21/649245221.db2.gz FJHLHZYHSMHEBH-GHMZBOCLSA-N 0 3 281.331 2.479 20 5 CEBDHN C[C@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872128311 649286133 /nfs/dbraw/zinc/28/61/33/649286133.db2.gz KDHWMTGIGNGTCF-DCAQKATOSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1nc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268470937 721853167 /nfs/dbraw/zinc/85/31/67/721853167.db2.gz JLJKOPOHTDGOLT-UHFFFAOYSA-N 0 3 290.367 2.363 20 5 CEBDHN CC(C)(O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000721877942 806464990 /nfs/dbraw/zinc/46/49/90/806464990.db2.gz HTQIBWFUJSIVLQ-GFCCVEGCSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707130636 809880172 /nfs/dbraw/zinc/88/01/72/809880172.db2.gz KZMSPYNWGVARKF-ZDUSSCGKSA-N 0 3 282.315 2.469 20 5 CEBDHN C[C@@H](N)c1ccn(-c2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001169232722 811447348 /nfs/dbraw/zinc/44/73/48/811447348.db2.gz JAGAHRWWTZIHFX-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN CCOc1cc([N+](=O)[O-])ccc1-n1ccc([C@@H](C)N)n1 ZINC001169233443 811447632 /nfs/dbraw/zinc/44/76/32/811447632.db2.gz QMKZIMJPWQJPQJ-SECBINFHSA-N 0 3 276.296 2.199 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[N+](=O)[O-] ZINC001122950708 815458187 /nfs/dbraw/zinc/45/81/87/815458187.db2.gz MVBUUDCSKWMQKU-BKDNQFJXSA-N 0 3 285.246 2.277 20 5 CEBDHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000712543065 814765086 /nfs/dbraw/zinc/76/50/86/814765086.db2.gz NEVSEKCJRTWTOS-NSHDSACASA-N 0 3 265.313 2.110 20 5 CEBDHN CCC1(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173217910 815624795 /nfs/dbraw/zinc/62/47/95/815624795.db2.gz NGQQXLBBMPMQDU-LLVKDONJSA-N 0 3 264.325 2.294 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN)nc1 ZINC001173222636 815627700 /nfs/dbraw/zinc/62/77/00/815627700.db2.gz YIAISBNFUPYILJ-LLVKDONJSA-N 0 3 286.335 2.492 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](F)C(C)(C)O ZINC001173227606 815631704 /nfs/dbraw/zinc/63/17/04/815631704.db2.gz HFRVWKAYTWKOSO-GXFFZTMASA-N 0 3 284.331 2.224 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCC[C@@H]1O ZINC000601305114 346816208 /nfs/dbraw/zinc/81/62/08/346816208.db2.gz SRVKNTNYCCSOMR-DYEKYZERSA-N 0 3 262.309 2.085 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCC2OCCO2)C2CC2)cc1 ZINC000125284558 187177640 /nfs/dbraw/zinc/17/76/40/187177640.db2.gz ZQXPDEQQTCEUHY-UHFFFAOYSA-N 0 3 292.335 2.322 20 5 CEBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080250003 344004469 /nfs/dbraw/zinc/00/44/69/344004469.db2.gz ILSLECHPEFXOQC-UHFFFAOYSA-N 0 3 279.340 2.118 20 5 CEBDHN CC1CCN(CCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000040771690 361997437 /nfs/dbraw/zinc/99/74/37/361997437.db2.gz MHRDXKQLOOLHOS-UHFFFAOYSA-N 0 3 277.368 2.416 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2COC[C@H]2C2CC2)c1 ZINC000725270124 539215058 /nfs/dbraw/zinc/21/50/58/539215058.db2.gz XTRIRKDTVKOOAI-UONOGXRCSA-N 0 3 262.309 2.109 20 5 CEBDHN CC[C@@H](C)NC(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676110 343438136 /nfs/dbraw/zinc/43/81/36/343438136.db2.gz OCDFQLYHCGJMEM-NEPJUHHUSA-N 0 3 293.367 2.030 20 5 CEBDHN C[C@H]1CCCN(CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047146829 343512067 /nfs/dbraw/zinc/51/20/67/343512067.db2.gz PXLBVRDEVGOYNV-LBPRGKRZSA-N 0 3 291.351 2.057 20 5 CEBDHN Cc1cccc(C(=O)NC[C@@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000046408459 343499006 /nfs/dbraw/zinc/49/90/06/343499006.db2.gz IZWCTWDIYLBQNP-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2COC[C@@H]2C1 ZINC000601977610 346948029 /nfs/dbraw/zinc/94/80/29/346948029.db2.gz VLIWWAJOUDBFAJ-DRYSKOCLSA-N 0 3 274.320 2.186 20 5 CEBDHN C[C@@H](CCCCO)NCc1csc([N+](=O)[O-])c1 ZINC000295071411 199330281 /nfs/dbraw/zinc/33/02/81/199330281.db2.gz PFRICJVJFNMFAE-VIFPVBQESA-N 0 3 258.343 2.297 20 5 CEBDHN Cc1ccc(CN2CCC[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC000093106227 344214277 /nfs/dbraw/zinc/21/42/77/344214277.db2.gz HRRLUAMHFLXZDI-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092649513 344197565 /nfs/dbraw/zinc/19/75/65/344197565.db2.gz UCDXRLBEHPAYBV-AWEZNQCLSA-N 0 3 293.367 2.426 20 5 CEBDHN CCN[C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602452784 347039570 /nfs/dbraw/zinc/03/95/70/347039570.db2.gz IWKFIZQEEAQLND-GFCCVEGCSA-N 0 3 293.367 2.032 20 5 CEBDHN CC(C)(O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145852580 344409553 /nfs/dbraw/zinc/40/95/53/344409553.db2.gz BOWVGZMQELWCOX-ZDUSSCGKSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](O)C1CC1 ZINC000160810630 344462074 /nfs/dbraw/zinc/46/20/74/344462074.db2.gz UTFYSCWGDZTCIW-YGRLFVJLSA-N 0 3 264.325 2.359 20 5 CEBDHN CCOC(=O)CCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000050067707 362398447 /nfs/dbraw/zinc/39/84/47/362398447.db2.gz LABWXTOMYPPCMQ-UHFFFAOYSA-N 0 3 280.324 2.288 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCSC ZINC000236845511 344597790 /nfs/dbraw/zinc/59/77/90/344597790.db2.gz ZLOZALBODMUKRU-UHFFFAOYSA-N 0 3 270.354 2.446 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1OC ZINC000050373618 362417028 /nfs/dbraw/zinc/41/70/28/362417028.db2.gz UQOZTHIXOFJGKO-TZMCWYRMSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000051998927 362458993 /nfs/dbraw/zinc/45/89/93/362458993.db2.gz HJKGSBHOZYWTAD-OCCSQVGLSA-N 0 3 264.325 2.296 20 5 CEBDHN C[C@@H](CO)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602520496 347065347 /nfs/dbraw/zinc/06/53/47/347065347.db2.gz GUFJBOKIFYACHE-MRVPVSSYSA-N 0 3 292.257 2.332 20 5 CEBDHN COC(=O)[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280793263 344674636 /nfs/dbraw/zinc/67/46/36/344674636.db2.gz RFUXINSUBHMDPZ-NQBHXWOUSA-N 0 3 292.335 2.397 20 5 CEBDHN CO[C@@H](CNCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602517180 347064189 /nfs/dbraw/zinc/06/41/89/347064189.db2.gz XDVVNRJODSJNMH-HNNXBMFYSA-N 0 3 294.351 2.126 20 5 CEBDHN CCC1(CC)[C@H](NCc2cn(C)nc2[N+](=O)[O-])C[C@@H]1OC ZINC000602573225 347083498 /nfs/dbraw/zinc/08/34/98/347083498.db2.gz ZGBLJITXTUIODD-NEPJUHHUSA-N 0 3 296.371 2.012 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000589197016 345071165 /nfs/dbraw/zinc/07/11/65/345071165.db2.gz SZVIROAWSXYJIN-ZDTYVGOBSA-N 0 3 276.336 2.311 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC[C@](C)(F)C2)c1 ZINC000591442172 345255828 /nfs/dbraw/zinc/25/58/28/345255828.db2.gz LOARYVMINGKQSN-ZDUSSCGKSA-N 0 3 267.304 2.041 20 5 CEBDHN CC(=O)c1ccc(N2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000057838792 362596433 /nfs/dbraw/zinc/59/64/33/362596433.db2.gz RADODTDHOPJBNZ-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN C[C@@H](CCO)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593694996 345523581 /nfs/dbraw/zinc/52/35/81/345523581.db2.gz VRUMMEZCQWTWCN-HWPRWLFBSA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@]1(O)CCOC1 ZINC000593721153 345527275 /nfs/dbraw/zinc/52/72/75/345527275.db2.gz ODEWYJWEPCWSFY-WFASDCNBSA-N 0 3 294.351 2.095 20 5 CEBDHN COC[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492690 345637565 /nfs/dbraw/zinc/63/75/65/345637565.db2.gz YCXLFVCFMKOCGY-CABZTGNLSA-N 0 3 250.298 2.207 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595102762 345742969 /nfs/dbraw/zinc/74/29/69/345742969.db2.gz JIEBKJBBFXCHCU-YUSALJHKSA-N 0 3 250.298 2.077 20 5 CEBDHN CC[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925118 345704065 /nfs/dbraw/zinc/70/40/65/345704065.db2.gz KSMAVCJOBREPCV-AAEUAGOBSA-N 0 3 250.298 2.252 20 5 CEBDHN CCO[C@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000594970334 345719591 /nfs/dbraw/zinc/71/95/91/345719591.db2.gz YOYJCRCSSUEUQM-HAQNSBGRSA-N 0 3 280.324 2.261 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCO1 ZINC000595005297 345724555 /nfs/dbraw/zinc/72/45/55/345724555.db2.gz BMVRKZZRVFGXGA-PWSUYJOCSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)C(C)C ZINC000595008773 345725436 /nfs/dbraw/zinc/72/54/36/345725436.db2.gz QQCPZDMYTQXRGP-GWCFXTLKSA-N 0 3 282.340 2.271 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[C@@H](C)O ZINC000595033697 345731433 /nfs/dbraw/zinc/73/14/33/345731433.db2.gz RZKPKSZDYPGNAM-MXWKQRLJSA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CO)CC1CC1 ZINC000595036773 345732178 /nfs/dbraw/zinc/73/21/78/345732178.db2.gz VZPBREAOQLOXOQ-ZYHUDNBSSA-N 0 3 294.351 2.415 20 5 CEBDHN CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000595410672 345775800 /nfs/dbraw/zinc/77/58/00/345775800.db2.gz XEWUATIOOCIDJV-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN CC[C@H](NCc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000595421992 345778418 /nfs/dbraw/zinc/77/84/18/345778418.db2.gz DELKAEOZVYYBGY-NSHDSACASA-N 0 3 283.328 2.186 20 5 CEBDHN CC(C)C[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596066934 345931788 /nfs/dbraw/zinc/93/17/88/345931788.db2.gz HRFAEQSBJHFIBV-UHFFFAOYSA-N 0 3 294.355 2.228 20 5 CEBDHN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000596453882 346028035 /nfs/dbraw/zinc/02/80/35/346028035.db2.gz PYIBGEJRTFNUGC-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000596501801 346040148 /nfs/dbraw/zinc/04/01/48/346040148.db2.gz OYJWTUHFQIHXTC-CYBMUJFWSA-N 0 3 292.339 2.057 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000598343338 346332003 /nfs/dbraw/zinc/33/20/03/346332003.db2.gz VBAWUBORDBVGOE-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1ccc(CN[C@]23C[C@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598986849 346441851 /nfs/dbraw/zinc/44/18/51/346441851.db2.gz FGBYQYDIOGVEJK-XHDPSFHLSA-N 0 3 292.335 2.261 20 5 CEBDHN CO[C@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599093136 346459218 /nfs/dbraw/zinc/45/92/18/346459218.db2.gz OVAXYOGHYJLKPC-GAFUQQFSSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1C[C@@H](O)C1 ZINC000599671903 346559112 /nfs/dbraw/zinc/55/91/12/346559112.db2.gz KOWMJVQDMAZTDF-SDDRHHMPSA-N 0 3 264.325 2.359 20 5 CEBDHN CN(C)C/C=C/C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000493352618 290794151 /nfs/dbraw/zinc/79/41/51/290794151.db2.gz NEJBKZPKCLZRQW-JXMROGBWSA-N 0 3 291.351 2.064 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2cccc([C@@H]3CNCCO3)c2)cn1 ZINC000600787976 346690947 /nfs/dbraw/zinc/69/09/47/346690947.db2.gz BHKVHAWCWOKCLR-AWEZNQCLSA-N 0 3 285.303 2.318 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C(F)F)c(Cl)c1 ZINC000601146754 346768982 /nfs/dbraw/zinc/76/89/82/346768982.db2.gz AKGCKMJIAGQELE-JTQLQIEISA-N 0 3 294.685 2.354 20 5 CEBDHN CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000601187881 346781320 /nfs/dbraw/zinc/78/13/20/346781320.db2.gz YTZHIDFLMMAWDJ-UHFFFAOYSA-N 0 3 289.339 2.002 20 5 CEBDHN CC(C)[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602629767 347112186 /nfs/dbraw/zinc/11/21/86/347112186.db2.gz RIIHHGJFAPNBPF-NSHDSACASA-N 0 3 266.345 2.196 20 5 CEBDHN CC[C@@H](CO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602629623 347112439 /nfs/dbraw/zinc/11/24/39/347112439.db2.gz PHQKGIDQIFJMJT-JTQLQIEISA-N 0 3 292.257 2.474 20 5 CEBDHN CCC1([NH+](C)C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000601229491 346796166 /nfs/dbraw/zinc/79/61/66/346796166.db2.gz RJHHULZCNQBPNF-UHFFFAOYSA-N 0 3 294.355 2.006 20 5 CEBDHN Cn1cc(CN2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602701078 347156899 /nfs/dbraw/zinc/15/68/99/347156899.db2.gz ZSEFHLKVSHXNGU-LBPRGKRZSA-N 0 3 278.356 2.340 20 5 CEBDHN COC(=O)[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602722677 347170613 /nfs/dbraw/zinc/17/06/13/347170613.db2.gz BFMFOVDLQOIZFP-NHYWBVRUSA-N 0 3 292.335 2.226 20 5 CEBDHN CO[C@H]1C[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602730535 347175368 /nfs/dbraw/zinc/17/53/68/347175368.db2.gz OUBUTLHJAVVRDL-JGZJWPJOSA-N 0 3 291.307 2.251 20 5 CEBDHN CCC(C)(C)[C@@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602881703 347237029 /nfs/dbraw/zinc/23/70/29/347237029.db2.gz YUZPUVYBOHSLPH-SECBINFHSA-N 0 3 254.334 2.243 20 5 CEBDHN CC(C)[C@H](N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185821 347303337 /nfs/dbraw/zinc/30/33/37/347303337.db2.gz NZTKMMVXZZHPGD-YGRLFVJLSA-N 0 3 289.339 2.451 20 5 CEBDHN CC(C)[C@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203321 347308573 /nfs/dbraw/zinc/30/85/73/347308573.db2.gz NWLPXBIRWKJGLO-ZDUSSCGKSA-N 0 3 293.302 2.030 20 5 CEBDHN O=[N+]([O-])c1sccc1N1CCN(c2ccncc2)CC1 ZINC000604433433 347415291 /nfs/dbraw/zinc/41/52/91/347415291.db2.gz YVGGQIXVFPQFNR-UHFFFAOYSA-N 0 3 290.348 2.378 20 5 CEBDHN CC[C@@H](CNc1cccnc1[N+](=O)[O-])N1CCCC1 ZINC000603854265 347392503 /nfs/dbraw/zinc/39/25/03/347392503.db2.gz ZAGBXTXCJJXGNK-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN O=[N+]([O-])c1ncccc1N1CCC[C@@H](N2CCCC2)C1 ZINC000603865768 347393085 /nfs/dbraw/zinc/39/30/85/347393085.db2.gz PNLXAKFBGCAQTE-GFCCVEGCSA-N 0 3 276.340 2.054 20 5 CEBDHN COCC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000336837276 365908242 /nfs/dbraw/zinc/90/82/42/365908242.db2.gz LWZIGVLZBKVCEK-UHFFFAOYSA-N 0 3 282.340 2.366 20 5 CEBDHN Cc1cnc(N[C@@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000610283987 347669751 /nfs/dbraw/zinc/66/97/51/347669751.db2.gz MHDUKFNAVGRQCF-GFCCVEGCSA-N 0 3 276.340 2.194 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNC1CSC1 ZINC000611563893 347794869 /nfs/dbraw/zinc/79/48/69/347794869.db2.gz IFXMBNDFSBJSAR-UHFFFAOYSA-N 0 3 272.757 2.496 20 5 CEBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CN1 ZINC000086468328 179299676 /nfs/dbraw/zinc/29/96/76/179299676.db2.gz JYZMKSCTXNYKSP-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCCF)C2)nc1 ZINC000351872540 219233103 /nfs/dbraw/zinc/23/31/03/219233103.db2.gz DNKJLDRYKUJPEP-LLVKDONJSA-N 0 3 282.319 2.226 20 5 CEBDHN COc1ccc(CNC[C@@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000336895131 365939109 /nfs/dbraw/zinc/93/91/09/365939109.db2.gz MOJYZTUQNPBFGS-ABAIWWIYSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])s1 ZINC000613700007 348092699 /nfs/dbraw/zinc/09/26/99/348092699.db2.gz AAHWFLMBIQCWQV-UHFFFAOYSA-N 0 3 255.343 2.187 20 5 CEBDHN Cc1nc(NC2CC(N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000450493893 282636064 /nfs/dbraw/zinc/63/60/64/282636064.db2.gz HHZMBEBKWKIAST-UHFFFAOYSA-N 0 3 291.355 2.122 20 5 CEBDHN C[C@H](O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411756293 233278882 /nfs/dbraw/zinc/27/88/82/233278882.db2.gz IQCRGMJAQPYRPC-JTQLQIEISA-N 0 3 252.314 2.190 20 5 CEBDHN C[C@H](N[C@H](CO)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996090 233312617 /nfs/dbraw/zinc/31/26/17/233312617.db2.gz RIRKPWYDIGRTNG-OUCADQQQSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H](C)C1 ZINC000412046721 233323908 /nfs/dbraw/zinc/32/39/08/233323908.db2.gz RJYBNWXBKKBBFR-MISXGVKJSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1c(CN2CCC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000412069621 233330027 /nfs/dbraw/zinc/33/00/27/233330027.db2.gz FVAOVTCWTNWAMS-TZMCWYRMSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H]1[C@H](CO)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093432 233336445 /nfs/dbraw/zinc/33/64/45/233336445.db2.gz RTHWCYYMQRLSLG-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000104954364 186033882 /nfs/dbraw/zinc/03/38/82/186033882.db2.gz COQBZXDFRMOKRZ-UHFFFAOYSA-N 0 3 293.367 2.001 20 5 CEBDHN C[C@H](NCCc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000091957419 180292051 /nfs/dbraw/zinc/29/20/51/180292051.db2.gz FVOJYHGHQXJQFG-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091985683 180298896 /nfs/dbraw/zinc/29/88/96/180298896.db2.gz JLYMAKVMDDXTMR-NSHDSACASA-N 0 3 280.324 2.144 20 5 CEBDHN CN1CCC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352178933 219347749 /nfs/dbraw/zinc/34/77/49/219347749.db2.gz SOCUMEKMWWOKQB-UHFFFAOYSA-N 0 3 281.287 2.014 20 5 CEBDHN CCN(CCC(=O)OC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092380044 180372140 /nfs/dbraw/zinc/37/21/40/180372140.db2.gz ANESVCYLLRMYDR-UHFFFAOYSA-N 0 3 280.324 2.288 20 5 CEBDHN CC(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000092395321 180377018 /nfs/dbraw/zinc/37/70/18/180377018.db2.gz DGTRTCRGCSJSIT-GFCCVEGCSA-N 0 3 272.732 2.355 20 5 CEBDHN CO[C@@]1(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123192947 187077028 /nfs/dbraw/zinc/07/70/28/187077028.db2.gz SXTOKOMDMVRIAS-SWLSCSKDSA-N 0 3 294.351 2.359 20 5 CEBDHN CCOc1cc(CN(CC)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000292237368 198213612 /nfs/dbraw/zinc/21/36/12/198213612.db2.gz PZYFNKCHMSXCLQ-LLVKDONJSA-N 0 3 282.340 2.196 20 5 CEBDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000152549087 188028363 /nfs/dbraw/zinc/02/83/63/188028363.db2.gz VNAYQBQHMPCFIQ-DGCLKSJQSA-N 0 3 264.325 2.330 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889345 188109977 /nfs/dbraw/zinc/10/99/77/188109977.db2.gz GOQBRZOWIKUVHM-MNOVXSKESA-N 0 3 282.340 2.415 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C[C@@H]1C ZINC000292733096 198392803 /nfs/dbraw/zinc/39/28/03/198392803.db2.gz GNIJVGWRTDEUAA-FZMZJTMJSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132941444 366183046 /nfs/dbraw/zinc/18/30/46/366183046.db2.gz GSUGUNHJPYRUPL-XUJVJEKNSA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1c(CN2CC[C@@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452117402 283193141 /nfs/dbraw/zinc/19/31/41/283193141.db2.gz CXIZNQVBPXAKRX-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN CCOc1cccc(NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000134908066 366370911 /nfs/dbraw/zinc/37/09/11/366370911.db2.gz KPIJMNDBJVUMMX-SNVBAGLBSA-N 0 3 267.329 2.356 20 5 CEBDHN CCN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000134908717 366372471 /nfs/dbraw/zinc/37/24/71/366372471.db2.gz OXUNIFSTSCPRQK-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN CC(C)(CO)CCNCc1csc([N+](=O)[O-])c1 ZINC000294729521 199155693 /nfs/dbraw/zinc/15/56/93/199155693.db2.gz GGWGAXDXEPFVPN-UHFFFAOYSA-N 0 3 258.343 2.155 20 5 CEBDHN CCN(CCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000135425542 366437641 /nfs/dbraw/zinc/43/76/41/366437641.db2.gz SMOXKPGPQQSCIT-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468418 366444394 /nfs/dbraw/zinc/44/43/94/366444394.db2.gz MQXBIYOUKNYPRW-AXFHLTTASA-N 0 3 252.314 2.262 20 5 CEBDHN C[C@H]1CCCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577111 216018694 /nfs/dbraw/zinc/01/86/94/216018694.db2.gz BSZXMKYYOVCTIW-LBPRGKRZSA-N 0 3 279.340 2.021 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(CC(F)F)C1 ZINC000418133789 237316037 /nfs/dbraw/zinc/31/60/37/237316037.db2.gz LHRIJCNLWPVYRL-LBPRGKRZSA-N 0 3 299.321 2.332 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000262736298 291194301 /nfs/dbraw/zinc/19/43/01/291194301.db2.gz CPNWGTXWDLWNGO-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484727 366589279 /nfs/dbraw/zinc/58/92/79/366589279.db2.gz KYRCECLEBXAOLL-NHCYSSNCSA-N 0 3 250.298 2.423 20 5 CEBDHN COCCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178632390 189132374 /nfs/dbraw/zinc/13/23/74/189132374.db2.gz QGQIYSFMXAUWNB-GFCCVEGCSA-N 0 3 282.340 2.217 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018178753 361517083 /nfs/dbraw/zinc/51/70/83/361517083.db2.gz IFUCZFGWYWRKOU-CYBMUJFWSA-N 0 3 292.339 2.201 20 5 CEBDHN CN1CCC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771841 364293625 /nfs/dbraw/zinc/29/36/25/364293625.db2.gz PSCGSSSSJGLMJS-JTQLQIEISA-N 0 3 289.339 2.225 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN(CC3CC3)CC2)cc1F ZINC000094774533 364295164 /nfs/dbraw/zinc/29/51/64/364295164.db2.gz GTHFYJYIGJZQED-UHFFFAOYSA-N 0 3 293.342 2.262 20 5 CEBDHN C[C@H](Cc1cnccn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000340436747 366882126 /nfs/dbraw/zinc/88/21/26/366882126.db2.gz PFTZKDYNISGIGR-LLVKDONJSA-N 0 3 272.308 2.106 20 5 CEBDHN COc1ccc(CNC[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000275748889 193118496 /nfs/dbraw/zinc/11/84/96/193118496.db2.gz CUAJOYCPJQLHIK-GFCCVEGCSA-N 0 3 278.308 2.386 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccc([N+](=O)[O-])cn1 ZINC000341100072 367172353 /nfs/dbraw/zinc/17/23/53/367172353.db2.gz KUEREHKJLOIJFP-TXEJJXNPSA-N 0 3 278.356 2.087 20 5 CEBDHN C[C@H](CN(C)C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168638790 367356844 /nfs/dbraw/zinc/35/68/44/367356844.db2.gz NKGBYYITPMPSHO-GHMZBOCLSA-N 0 3 251.330 2.196 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[C@H](O)CC1 ZINC000275893264 193157470 /nfs/dbraw/zinc/15/74/70/193157470.db2.gz QPGFIUJGJNSUIN-MQMHXKEQSA-N 0 3 294.351 2.339 20 5 CEBDHN COCC[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421460 367909002 /nfs/dbraw/zinc/90/90/02/367909002.db2.gz QWXWHQVJFILBSM-SMDDNHRTSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccccc3)CCC2)n1 ZINC000176201041 368211523 /nfs/dbraw/zinc/21/15/23/368211523.db2.gz UKUCKUAATZKDCI-UHFFFAOYSA-N 0 3 286.335 2.460 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187317889 369137960 /nfs/dbraw/zinc/13/79/60/369137960.db2.gz VMEQZBTXINHNGU-MGPQQGTHSA-N 0 3 262.309 2.252 20 5 CEBDHN CO[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000348834866 369173529 /nfs/dbraw/zinc/17/35/29/369173529.db2.gz QZMTXNYTQOPPAM-NSHDSACASA-N 0 3 252.314 2.370 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H](C)CO ZINC000349274515 369286647 /nfs/dbraw/zinc/28/66/47/369286647.db2.gz GADPSYBCQKZTIL-VNKGSWCUSA-N 0 3 264.325 2.311 20 5 CEBDHN C[C@@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187991632 369270876 /nfs/dbraw/zinc/27/08/76/369270876.db2.gz VVWLSXJVJKYLMA-LLVKDONJSA-N 0 3 291.351 2.316 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000276098112 193213559 /nfs/dbraw/zinc/21/35/59/193213559.db2.gz YQQNRSCZWDAHSY-CQSZACIVSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[C@H](O)C2)c1 ZINC000188831121 369414945 /nfs/dbraw/zinc/41/49/45/369414945.db2.gz JXPJEISIJXNIRP-CABZTGNLSA-N 0 3 284.743 2.499 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@H](O)C1 ZINC000188850203 369419596 /nfs/dbraw/zinc/41/95/96/369419596.db2.gz SQDYMKBYJHFPAS-FZMZJTMJSA-N 0 3 294.351 2.244 20 5 CEBDHN CO[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189311780 369496096 /nfs/dbraw/zinc/49/60/96/369496096.db2.gz BZQLIMIQRMIUQC-WFASDCNBSA-N 0 3 278.352 2.494 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCOC1 ZINC000276355359 193297631 /nfs/dbraw/zinc/29/76/31/193297631.db2.gz XICSWKKPMWNCSM-NSHDSACASA-N 0 3 268.288 2.202 20 5 CEBDHN C[C@@H]1CC(O)C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191187187 369690135 /nfs/dbraw/zinc/69/01/35/369690135.db2.gz WWHKPKKRZMQBOP-ONXXMXGDSA-N 0 3 294.351 2.207 20 5 CEBDHN CC[C@H](CNc1c([N+](=O)[O-])c(C)nn1CC)N1CCCC1 ZINC000192495066 369820297 /nfs/dbraw/zinc/82/02/97/369820297.db2.gz SVWHIFAOFFCFKA-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCn1ccnc1)CCC2 ZINC000192604397 369833933 /nfs/dbraw/zinc/83/39/33/369833933.db2.gz FXGLOBIEUGANHS-OAHLLOKOSA-N 0 3 286.335 2.459 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000352561246 369785988 /nfs/dbraw/zinc/78/59/88/369785988.db2.gz GUKWZKWPWQWFNP-UHFFFAOYSA-N 0 3 264.325 2.106 20 5 CEBDHN COc1cc(CN(C)CC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000352781128 369876984 /nfs/dbraw/zinc/87/69/84/369876984.db2.gz XKQSVWZIDRNZPJ-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193384623 369936357 /nfs/dbraw/zinc/93/63/57/369936357.db2.gz IHDQXQYTVMIWDP-LLVKDONJSA-N 0 3 278.356 2.463 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000353122652 370026621 /nfs/dbraw/zinc/02/66/21/370026621.db2.gz VQINDJJRVKYDFI-SCZZXKLOSA-N 0 3 266.297 2.197 20 5 CEBDHN CS[C@H](CO)[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059798 370218211 /nfs/dbraw/zinc/21/82/11/370218211.db2.gz VWOIIBJESNFCEP-GXFFZTMASA-N 0 3 284.381 2.105 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@H](C)C1 ZINC000223071519 370261496 /nfs/dbraw/zinc/26/14/96/370261496.db2.gz DLKSLNADTLEGGV-ZYHUDNBSSA-N 0 3 280.324 2.261 20 5 CEBDHN CCC[C@@H](N[C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223958949 370275095 /nfs/dbraw/zinc/27/50/95/370275095.db2.gz AYXHLXCULMLOOG-UKRRQHHQSA-N 0 3 296.367 2.423 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000287303869 376201123 /nfs/dbraw/zinc/20/11/23/376201123.db2.gz JDZLUOWDZOPVIG-SNVBAGLBSA-N 0 3 270.304 2.327 20 5 CEBDHN C[C@@H](NCCc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000230898803 370468496 /nfs/dbraw/zinc/46/84/96/370468496.db2.gz LGJNKFUNZUXDFB-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC(C)(CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000231404028 370479627 /nfs/dbraw/zinc/47/96/27/370479627.db2.gz OALQHBRGDCKMKI-UHFFFAOYSA-N 0 3 252.314 2.093 20 5 CEBDHN Cc1c(CNC[C@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000231885773 370497746 /nfs/dbraw/zinc/49/77/46/370497746.db2.gz XIZARWVPNVVHEK-AWEZNQCLSA-N 0 3 296.367 2.026 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CCCSC2)cc1 ZINC000355539346 370593046 /nfs/dbraw/zinc/59/30/46/370593046.db2.gz ATZSUAAUNFJOGM-CQSZACIVSA-N 0 3 296.392 2.285 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000360996283 371588950 /nfs/dbraw/zinc/58/89/50/371588950.db2.gz RNOXFGBZOKLUPI-ZYHUDNBSSA-N 0 3 295.387 2.039 20 5 CEBDHN COc1cc(C[NH2+]CCCCF)c([N+](=O)[O-])cc1[O-] ZINC000361064515 371631251 /nfs/dbraw/zinc/63/12/51/371631251.db2.gz FANDHVZIYRDTOU-UHFFFAOYSA-N 0 3 272.276 2.148 20 5 CEBDHN CC1(C)[C@@H](O)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361080789 371640589 /nfs/dbraw/zinc/64/05/89/371640589.db2.gz MBYWSRNMNGSCCY-VSKVDJIOSA-N 0 3 276.336 2.453 20 5 CEBDHN Cc1ccnc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000265162327 372016215 /nfs/dbraw/zinc/01/62/15/372016215.db2.gz FFOUSRIZVCOJRE-UHFFFAOYSA-N 0 3 276.340 2.337 20 5 CEBDHN C[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327130 217152284 /nfs/dbraw/zinc/15/22/84/217152284.db2.gz JIEGHMWVPWCXHK-HZMBPMFUSA-N 0 3 281.331 2.306 20 5 CEBDHN CC(C)OCCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644445 372515874 /nfs/dbraw/zinc/51/58/74/372515874.db2.gz KHXIZAFYBUESNY-OAHLLOKOSA-N 0 3 296.367 2.375 20 5 CEBDHN CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1N(C)C ZINC000270651151 372884266 /nfs/dbraw/zinc/88/42/66/372884266.db2.gz LVIUXZFMGDGKRW-ZIAGYGMSSA-N 0 3 295.408 2.072 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCOC1 ZINC000344811666 217319675 /nfs/dbraw/zinc/31/96/75/217319675.db2.gz MKYKACUTAUZNEU-SVTZGKHISA-N 0 3 262.309 2.377 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[S@@](C)=O ZINC000344849999 217332153 /nfs/dbraw/zinc/33/21/53/217332153.db2.gz HABNPLQMQPCLJF-RGFVMQALSA-N 0 3 296.392 2.356 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCCCCC[C@H]32)n1 ZINC000369454106 373419496 /nfs/dbraw/zinc/41/94/96/373419496.db2.gz YAPASJIMRWHUTR-CHWSQXEVSA-N 0 3 278.356 2.446 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([C@H](C)O)C1 ZINC000272515625 373527128 /nfs/dbraw/zinc/52/71/28/373527128.db2.gz GTRMKUMYXLAOKE-NTZNESFSSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2CCO)c(F)c1 ZINC000275057920 374141907 /nfs/dbraw/zinc/14/19/07/374141907.db2.gz NZOJMAATBUMUMO-HZMBPMFUSA-N 0 3 282.315 2.375 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@](O)(C2CC2)C1 ZINC000373315174 374325935 /nfs/dbraw/zinc/32/59/35/374325935.db2.gz CELBJAIOVCAJNE-LLCTXKFZSA-N 0 3 288.347 2.455 20 5 CEBDHN CCOc1cc(CN(C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276954649 374357368 /nfs/dbraw/zinc/35/73/68/374357368.db2.gz USJBYJJZEWRLHZ-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN CCOc1cc(CN2CC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276964000 374361497 /nfs/dbraw/zinc/36/14/97/374361497.db2.gz VVLZTNPWQGWLBZ-DGCLKSJQSA-N 0 3 294.351 2.196 20 5 CEBDHN CC(C)(C)OCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373586346 374385927 /nfs/dbraw/zinc/38/59/27/374385927.db2.gz SFWSUETUZKLNPB-LBPRGKRZSA-N 0 3 296.371 2.243 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000277966573 374695300 /nfs/dbraw/zinc/69/53/00/374695300.db2.gz SJSGRZMPSLMHLL-ZANVPECISA-N 0 3 268.288 2.249 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282214335 375431547 /nfs/dbraw/zinc/43/15/47/375431547.db2.gz DMSMXZWMVHYAEW-OLZOCXBDSA-N 0 3 294.351 2.473 20 5 CEBDHN CN(c1ncc([N+](=O)[O-])s1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000286244357 375882901 /nfs/dbraw/zinc/88/29/01/375882901.db2.gz DMSUXBRKVDNQID-ULKQDVFKSA-N 0 3 282.369 2.113 20 5 CEBDHN C[C@@H]1CCSCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347477 375921480 /nfs/dbraw/zinc/92/14/80/375921480.db2.gz XQWMOKGMMXOVLB-RISCZKNCSA-N 0 3 296.392 2.456 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2CCO)cc1F ZINC000286383035 375934009 /nfs/dbraw/zinc/93/40/09/375934009.db2.gz ZEZMUPFGKRDPDA-AAEUAGOBSA-N 0 3 282.315 2.375 20 5 CEBDHN O=[N+]([O-])c1cc2c(ncnc2NCCN2CCCC2)s1 ZINC000286880577 376092152 /nfs/dbraw/zinc/09/21/52/376092152.db2.gz IKWGRLBVBMITQR-UHFFFAOYSA-N 0 3 293.352 2.107 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000289747002 376478771 /nfs/dbraw/zinc/47/87/71/376478771.db2.gz QJWGQHXBUGUYHO-IPKOWEFYSA-N 0 3 276.336 2.453 20 5 CEBDHN CC[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000558982389 376655759 /nfs/dbraw/zinc/65/57/59/376655759.db2.gz MINSTXPPPGGGJE-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN CCC[C@@H](NC[C@@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323435 376797650 /nfs/dbraw/zinc/79/76/50/376797650.db2.gz MHAHCBZYYAPQIY-HUUCEWRRSA-N 0 3 296.367 2.423 20 5 CEBDHN C[C@H](C[C@H]1COCCN1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000423019221 376937077 /nfs/dbraw/zinc/93/70/77/376937077.db2.gz UTCWBKZOZLFFBF-UPJWGTAASA-N 0 3 293.367 2.012 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CN(C)C)C1 ZINC000292942032 377363982 /nfs/dbraw/zinc/36/39/82/377363982.db2.gz BGSVXYINVCENHS-GFCCVEGCSA-N 0 3 291.351 2.185 20 5 CEBDHN C[C@H]1CCC[C@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000292924920 377355126 /nfs/dbraw/zinc/35/51/26/377355126.db2.gz GNKIDEZUMJPVEC-FZMZJTMJSA-N 0 3 264.325 2.236 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000293191425 377464987 /nfs/dbraw/zinc/46/49/87/377464987.db2.gz XEEBPZVZGSUFGW-GFCCVEGCSA-N 0 3 252.314 2.234 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCCCO)C2CC2)cc1 ZINC000265475483 190184759 /nfs/dbraw/zinc/18/47/59/190184759.db2.gz JEWIJPZGCNESOA-UHFFFAOYSA-N 0 3 264.325 2.332 20 5 CEBDHN CN1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432345881 377748815 /nfs/dbraw/zinc/74/88/15/377748815.db2.gz ILKJGLABUKIWPN-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CC[C@H](NC(=O)[C@H](C)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000295236733 378065246 /nfs/dbraw/zinc/06/52/46/378065246.db2.gz SITAGTZHWJUCDS-HZMBPMFUSA-N 0 3 291.351 2.303 20 5 CEBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CCC3)CC2)s1 ZINC000296026050 378395583 /nfs/dbraw/zinc/39/55/83/378395583.db2.gz OQXJEPQAYKYLBL-UHFFFAOYSA-N 0 3 282.369 2.480 20 5 CEBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000295960376 378370982 /nfs/dbraw/zinc/37/09/82/378370982.db2.gz JIXYCLALEATCPU-LLVKDONJSA-N 0 3 278.356 2.219 20 5 CEBDHN Cc1nc(NC[C@H](C)N2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296541892 378568249 /nfs/dbraw/zinc/56/82/49/378568249.db2.gz NYISJZJAXLRNER-MNOVXSKESA-N 0 3 293.371 2.226 20 5 CEBDHN Cc1ccc(CNC[C@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000266172387 190236967 /nfs/dbraw/zinc/23/69/67/190236967.db2.gz RQGPTTAXYPUHKY-HNNXBMFYSA-N 0 3 290.319 2.494 20 5 CEBDHN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000453594368 378916315 /nfs/dbraw/zinc/91/63/15/378916315.db2.gz IHFIPKYBMHYHHJ-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000278560956 194043927 /nfs/dbraw/zinc/04/39/27/194043927.db2.gz CKILNTYOENXGRH-HUUCEWRRSA-N 0 3 294.351 2.187 20 5 CEBDHN COC[C@@](C)(O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952364 379328264 /nfs/dbraw/zinc/32/82/64/379328264.db2.gz SYQHJGKWXCTYQI-WFASDCNBSA-N 0 3 296.367 2.341 20 5 CEBDHN CC[C@H](C)[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000304040789 379516407 /nfs/dbraw/zinc/51/64/07/379516407.db2.gz IPGIYHLMEZTSCR-SMDDNHRTSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1cnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889127 190360894 /nfs/dbraw/zinc/36/08/94/190360894.db2.gz RBYPPILHWSFJAU-WDEREUQCSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167090 190382985 /nfs/dbraw/zinc/38/29/85/190382985.db2.gz PTMRZLGBGBUCSE-MFKMUULPSA-N 0 3 261.325 2.489 20 5 CEBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735313 380125285 /nfs/dbraw/zinc/12/52/85/380125285.db2.gz ORKVXUPHKQGXNC-SCRDCRAPSA-N 0 3 290.367 2.156 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)c(F)c1 ZINC000350313170 219006017 /nfs/dbraw/zinc/00/60/17/219006017.db2.gz YANQXUCNANVNEY-LLVKDONJSA-N 0 3 290.298 2.104 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCCOC1)CC2 ZINC000408105007 285141980 /nfs/dbraw/zinc/14/19/80/285141980.db2.gz GSKIGUSEWNPMQK-LBPRGKRZSA-N 0 3 276.336 2.380 20 5 CEBDHN O=[N+]([O-])c1ccccc1N1CCCN(C2CC2)CC1 ZINC000057857784 285162749 /nfs/dbraw/zinc/16/27/49/285162749.db2.gz AECGWGVIBXGLHQ-UHFFFAOYSA-N 0 3 261.325 2.269 20 5 CEBDHN O=[N+]([O-])c1ccsc1N1CCN(c2ccncc2)CC1 ZINC000302005410 285169945 /nfs/dbraw/zinc/16/99/45/285169945.db2.gz UPOBBMSQDRAAKW-UHFFFAOYSA-N 0 3 290.348 2.378 20 5 CEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000227069849 130835010 /nfs/dbraw/zinc/83/50/10/130835010.db2.gz FOSKLOPUSMGQPL-BFHYXJOUSA-N 0 3 276.336 2.498 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CCO)C(C)C ZINC000231041049 130911794 /nfs/dbraw/zinc/91/17/94/130911794.db2.gz JVVRDNVXGHRULK-CYBMUJFWSA-N 0 3 282.340 2.100 20 5 CEBDHN CNC(=O)[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967749 394456794 /nfs/dbraw/zinc/45/67/94/394456794.db2.gz AJLRILOBLUHJKC-NEPJUHHUSA-N 0 3 291.351 2.032 20 5 CEBDHN COc1cc(NC2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000218839157 394457531 /nfs/dbraw/zinc/45/75/31/394457531.db2.gz ZEIGRSNFLYRORK-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000421742880 394580240 /nfs/dbraw/zinc/58/02/40/394580240.db2.gz UCNPNLJVGZSPAM-UHFFFAOYSA-N 0 3 291.351 2.037 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCC2)c2ncccc12 ZINC000356739305 394598800 /nfs/dbraw/zinc/59/88/00/394598800.db2.gz ITXGGVXWQFJEBC-UHFFFAOYSA-N 0 3 272.308 2.261 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000264473433 394640483 /nfs/dbraw/zinc/64/04/83/394640483.db2.gz RIJKDYYAAAOOFW-NSHDSACASA-N 0 3 252.314 2.186 20 5 CEBDHN Cc1cc(N[C@@H](C)C2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000272983171 394780122 /nfs/dbraw/zinc/78/01/22/394780122.db2.gz PHFCCQAIIZDGBC-NSHDSACASA-N 0 3 276.340 2.361 20 5 CEBDHN Cc1ccc([C@@H](C)NCC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311350 394915970 /nfs/dbraw/zinc/91/59/70/394915970.db2.gz MZNFXTGRUUFONX-GIPWTMENSA-N 0 3 296.392 2.465 20 5 CEBDHN CO[C@@H](C)CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000285572029 394959413 /nfs/dbraw/zinc/95/94/13/394959413.db2.gz HTDJOOXKOZCVLD-NSHDSACASA-N 0 3 252.314 2.104 20 5 CEBDHN CO[C@H](C)CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000285572028 394959430 /nfs/dbraw/zinc/95/94/30/394959430.db2.gz HTDJOOXKOZCVLD-LLVKDONJSA-N 0 3 252.314 2.104 20 5 CEBDHN CC(C)[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000174699463 395127219 /nfs/dbraw/zinc/12/72/19/395127219.db2.gz LEMMYYYLUOJELH-HNNXBMFYSA-N 0 3 277.368 2.367 20 5 CEBDHN CC(C)c1ccc(CN(C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000348839858 395152482 /nfs/dbraw/zinc/15/24/82/395152482.db2.gz YTMDNSWSUJMKGE-UHFFFAOYSA-N 0 3 279.340 2.025 20 5 CEBDHN COc1ccc(CNC[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000398224739 395231556 /nfs/dbraw/zinc/23/15/56/395231556.db2.gz PKPPRJFLJLOCHJ-ZYHUDNBSSA-N 0 3 280.324 2.261 20 5 CEBDHN CC(C)[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000352892792 395274572 /nfs/dbraw/zinc/27/45/72/395274572.db2.gz MEZRLIXEJWARGZ-CYBMUJFWSA-N 0 3 252.314 2.091 20 5 CEBDHN CCC(CC)(CC)NCc1c([N+](=O)[O-])ncn1C ZINC000440728751 395350291 /nfs/dbraw/zinc/35/02/91/395350291.db2.gz BFKQKHZEKWTCPU-UHFFFAOYSA-N 0 3 254.334 2.387 20 5 CEBDHN COc1cc(CN[C@@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000451241473 395597761 /nfs/dbraw/zinc/59/77/61/395597761.db2.gz KZCWAYROHQYSCI-CYBMUJFWSA-N 0 3 280.324 2.261 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258087 395600192 /nfs/dbraw/zinc/60/01/92/395600192.db2.gz AFBVNWHALSESAE-JSGCOSHPSA-N 0 3 294.351 2.196 20 5 CEBDHN C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncccc1[O-] ZINC000569155766 395573726 /nfs/dbraw/zinc/57/37/26/395573726.db2.gz KMNHAPGHTKYIIY-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ncccc1[O-] ZINC000569155766 395573728 /nfs/dbraw/zinc/57/37/28/395573728.db2.gz KMNHAPGHTKYIIY-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN C[C@H](N[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963610 400259298 /nfs/dbraw/zinc/25/92/98/400259298.db2.gz JUYDPKFPMAIZOC-QWRGUYRKSA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000269051833 292247897 /nfs/dbraw/zinc/24/78/97/292247897.db2.gz VXDQKSZQKKLZRK-NEPJUHHUSA-N 0 3 289.339 2.234 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316962 153389289 /nfs/dbraw/zinc/38/92/89/153389289.db2.gz MSRGEVWUYQATEE-KGLIPLIRSA-N 0 3 262.309 2.252 20 5 CEBDHN C[C@H]1COCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000366795118 156082702 /nfs/dbraw/zinc/08/27/02/156082702.db2.gz FPBCVXRNJUJBQI-GFCCVEGCSA-N 0 3 264.325 2.106 20 5 CEBDHN CCS[C@H]1CCCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176240370 165159202 /nfs/dbraw/zinc/15/92/02/165159202.db2.gz CXSVXSVQSFMICQ-LBPRGKRZSA-N 0 3 298.412 2.399 20 5 CEBDHN Cc1c([C@@H](C)NCCn2cccn2)cccc1[N+](=O)[O-] ZINC000180429150 165309684 /nfs/dbraw/zinc/30/96/84/165309684.db2.gz QYTKJOYNNMASGA-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000020208264 171072519 /nfs/dbraw/zinc/07/25/19/171072519.db2.gz NRMVTNUCGFPDFY-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN C/C=C/C[C@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026644 196181684 /nfs/dbraw/zinc/18/16/84/196181684.db2.gz HOTQNOMRMCNNKF-KJDJKKKBSA-N 0 3 279.340 2.155 20 5 CEBDHN CC(C)C(=O)NCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177062 173010456 /nfs/dbraw/zinc/01/04/56/173010456.db2.gz UZENUEZWKYPTNS-LLVKDONJSA-N 0 3 279.340 2.018 20 5 CEBDHN CCOC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000044723752 175237205 /nfs/dbraw/zinc/23/72/05/175237205.db2.gz FTJWZGOLRPUKSA-SNVBAGLBSA-N 0 3 252.314 2.418 20 5 CEBDHN C[C@@H](C1CC1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078723343 177376129 /nfs/dbraw/zinc/37/61/29/177376129.db2.gz RIZPTTMJFZEHSI-NSHDSACASA-N 0 3 291.351 2.288 20 5 CEBDHN C[C@@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739423 262384138 /nfs/dbraw/zinc/38/41/38/262384138.db2.gz WCZQJNGEWLJOMD-HBNTYKKESA-N 0 3 296.396 2.218 20 5 CEBDHN CCC1(CNCc2ccc([N+](=O)[O-])cc2F)COC1 ZINC000393987416 262459478 /nfs/dbraw/zinc/45/94/78/262459478.db2.gz JXIYECMYUHMBHY-UHFFFAOYSA-N 0 3 268.288 2.250 20 5 CEBDHN Cc1ccc(CN[C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428648652 271283928 /nfs/dbraw/zinc/28/39/28/271283928.db2.gz JLVUSYTVWZICBV-SNVBAGLBSA-N 0 3 274.267 2.009 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCOC1 ZINC000430202375 271361486 /nfs/dbraw/zinc/36/14/86/271361486.db2.gz CJBRITIRHGHSGF-LLVKDONJSA-N 0 3 280.324 2.072 20 5 CEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1N(C)C ZINC000271284853 274182550 /nfs/dbraw/zinc/18/25/50/274182550.db2.gz CYRVOVUGOOMFDL-ZIAGYGMSSA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@@H]1NCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262736297 279037109 /nfs/dbraw/zinc/03/71/09/279037109.db2.gz CPNWGTXWDLWNGO-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000351925660 288099873 /nfs/dbraw/zinc/09/98/73/288099873.db2.gz FFRFCOCXYNIQBV-NWDGAFQWSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000248858733 280369344 /nfs/dbraw/zinc/36/93/44/280369344.db2.gz WWHKPKKRZMQBOP-DABQJJPHSA-N 0 3 294.351 2.207 20 5 CEBDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464569 281048095 /nfs/dbraw/zinc/04/80/95/281048095.db2.gz BNRQJBSSFMPAPD-JOYOIKCWSA-N 0 3 285.294 2.243 20 5 CEBDHN C[C@H](N[C@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462442 281239046 /nfs/dbraw/zinc/23/90/46/281239046.db2.gz BGRHWAZNKFLRSZ-WPRPVWTQSA-N 0 3 274.267 2.262 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000194569547 281257593 /nfs/dbraw/zinc/25/75/93/281257593.db2.gz ILPWZHLGZMQSFQ-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1n[nH]c(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040675972 281769517 /nfs/dbraw/zinc/76/95/17/281769517.db2.gz DCIHGGAKHVPYJR-UHFFFAOYSA-N 0 3 274.324 2.267 20 5 CEBDHN CN(C)CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000157736921 289220757 /nfs/dbraw/zinc/22/07/57/289220757.db2.gz CHZLUGATYXOFRE-UHFFFAOYSA-N 0 3 270.354 2.268 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(O)CCSC1 ZINC000158211151 289229811 /nfs/dbraw/zinc/22/98/11/289229811.db2.gz MGKKZQXNZGJWKY-RISCZKNCSA-N 0 3 296.392 2.422 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391399 290134675 /nfs/dbraw/zinc/13/46/75/290134675.db2.gz UVTOYIVAKJNKNZ-DGCLKSJQSA-N 0 3 291.351 2.080 20 5 CEBDHN COC(C)(C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000531575852 298111482 /nfs/dbraw/zinc/11/14/82/298111482.db2.gz IYADONDRYHLKDR-UHFFFAOYSA-N 0 3 282.340 2.330 20 5 CEBDHN C[C@H](NC1(C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000543454073 298309969 /nfs/dbraw/zinc/30/99/69/298309969.db2.gz CNTGWBBXTIBVTA-JTQLQIEISA-N 0 3 289.335 2.454 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)CC(F)F ZINC000566476242 298992163 /nfs/dbraw/zinc/99/21/63/298992163.db2.gz VJGBJSLFLIMSQI-LDYMZIIASA-N 0 3 286.278 2.188 20 5 CEBDHN CN1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000534271054 313378424 /nfs/dbraw/zinc/37/84/24/313378424.db2.gz XKNVFLFPJQJHHU-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CCC(C)C ZINC000571994196 314116032 /nfs/dbraw/zinc/11/60/32/314116032.db2.gz MEXNKMWSMVRTEV-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000576111787 314243290 /nfs/dbraw/zinc/24/32/90/314243290.db2.gz LBPMTMCKCIESJR-BXUZGUMPSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)C1CCC1 ZINC000576886379 314320195 /nfs/dbraw/zinc/32/01/95/314320195.db2.gz KIUCKSMYSYETIQ-ZFWWWQNUSA-N 0 3 276.336 2.333 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000577469115 314380126 /nfs/dbraw/zinc/38/01/26/314380126.db2.gz HAAGLAHLFXACSB-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000577489147 314382968 /nfs/dbraw/zinc/38/29/68/314382968.db2.gz GSVHGSPADGLGJV-AOOOYVTPSA-N 0 3 265.288 2.065 20 5 CEBDHN C[S@@](=O)C1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865533 314422795 /nfs/dbraw/zinc/42/27/95/314422795.db2.gz FAMHXAAAYHTZTK-FKIZINRSSA-N 0 3 294.376 2.083 20 5 CEBDHN Cc1cc(NCc2cncn2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000357589154 534036935 /nfs/dbraw/zinc/03/69/35/534036935.db2.gz BTHAENITBVZBNS-UHFFFAOYSA-N 0 3 297.318 2.219 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000411937105 534094923 /nfs/dbraw/zinc/09/49/23/534094923.db2.gz LTXSSQBGYQSSNZ-AAEUAGOBSA-N 0 3 291.351 2.066 20 5 CEBDHN CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000052812542 521627051 /nfs/dbraw/zinc/62/70/51/521627051.db2.gz HNXWBCJPOLFWMH-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804541 525605404 /nfs/dbraw/zinc/60/54/04/525605404.db2.gz OUNXMGCQEOVKSK-BPNCWPANSA-N 0 3 291.351 2.290 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310333 525738968 /nfs/dbraw/zinc/73/89/68/525738968.db2.gz FQIDZTPKKKVUQU-QQKBFRNYSA-N 0 3 284.381 2.321 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000123929297 529105637 /nfs/dbraw/zinc/10/56/37/529105637.db2.gz NCXTVEGMZLCVGM-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313155842 535806427 /nfs/dbraw/zinc/80/64/27/535806427.db2.gz NSUBUTWXHWDRJT-ZJUUUORDSA-N 0 3 258.343 2.295 20 5 CEBDHN CCN(CCNc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000726183988 574424874 /nfs/dbraw/zinc/42/48/74/574424874.db2.gz PQTDEWHWIWJHTQ-UHFFFAOYSA-N 0 3 289.339 2.139 20 5 CEBDHN Cc1ccc(CN[C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000748820508 575197895 /nfs/dbraw/zinc/19/78/95/575197895.db2.gz NZMXYKYFPQTAMS-GFCCVEGCSA-N 0 3 286.335 2.414 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])CCN1C ZINC000742411889 575020643 /nfs/dbraw/zinc/02/06/43/575020643.db2.gz JUMOYQQPJHNXJV-MNOVXSKESA-N 0 3 289.339 2.137 20 5 CEBDHN Cc1c(C(=O)NCCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000742237539 575012929 /nfs/dbraw/zinc/01/29/29/575012929.db2.gz LQPIELIIYZBQNE-LLVKDONJSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](N[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048138 575147481 /nfs/dbraw/zinc/14/74/81/575147481.db2.gz WOJGZJRYJJAEBJ-NOZJJQNGSA-N 0 3 250.298 2.016 20 5 CEBDHN Cc1nn(CN2CC[C@H](C)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941372 575301765 /nfs/dbraw/zinc/30/17/65/575301765.db2.gz NJFVEIRZDLTJSU-GXSJLCMTSA-N 0 3 289.339 2.336 20 5 CEBDHN Cc1cc(Cl)ccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104355 623022904 /nfs/dbraw/zinc/02/29/04/623022904.db2.gz YVRDPIFLNYNGQD-VIFPVBQESA-N 0 3 287.699 2.236 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1ccccc1F)[N+](=O)[O-] ZINC000813108439 623040568 /nfs/dbraw/zinc/04/05/68/623040568.db2.gz YLYHFBOCRMTCOE-IUCAKERBSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(COC(=O)CCc1cccc(F)c1F)[N+](=O)[O-] ZINC000813108715 623041875 /nfs/dbraw/zinc/04/18/75/623041875.db2.gz AANJDPDGXKCUTO-MRVPVSSYSA-N 0 3 273.235 2.106 20 5 CEBDHN COc1c(O)ccc(CN2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000892068805 624292179 /nfs/dbraw/zinc/29/21/79/624292179.db2.gz TUDOWYKRWDUMFE-NXEZZACHSA-N 0 3 280.324 2.397 20 5 CEBDHN CC(=O)OC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621183 627317647 /nfs/dbraw/zinc/31/76/47/627317647.db2.gz HMEDHDLAFNRGTO-NXEZZACHSA-N 0 3 266.297 2.197 20 5 CEBDHN COc1c(O)ccc(CNC[C@@H](OC)C(C)C)c1[N+](=O)[O-] ZINC000893087430 627989771 /nfs/dbraw/zinc/98/97/71/627989771.db2.gz VPYMWHMPRKKOHS-GFCCVEGCSA-N 0 3 298.339 2.070 20 5 CEBDHN C[C@H](CCCO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000094943896 628883837 /nfs/dbraw/zinc/88/38/37/628883837.db2.gz JQYNYMZZRVANJQ-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928427499 629502968 /nfs/dbraw/zinc/50/29/68/629502968.db2.gz MZVWGZJRCWHHEP-NEPJUHHUSA-N 0 3 291.351 2.034 20 5 CEBDHN CC[C@@H]1CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647193 629641771 /nfs/dbraw/zinc/64/17/71/629641771.db2.gz BRFHKNIHRVAPSV-DGCLKSJQSA-N 0 3 250.298 2.113 20 5 CEBDHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804324175 631663971 /nfs/dbraw/zinc/66/39/71/631663971.db2.gz YPMXVBAAZJLLAD-SNVBAGLBSA-N 0 3 294.311 2.399 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](C)[C@H](O)C1 ZINC000897676315 631861668 /nfs/dbraw/zinc/86/16/68/631861668.db2.gz KSVVCBZGHAPWTC-IINYFYTJSA-N 0 3 264.325 2.024 20 5 CEBDHN Cn1cnc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000808451538 631964477 /nfs/dbraw/zinc/96/44/77/631964477.db2.gz RNADLBBQVWKHFG-UHFFFAOYSA-N 0 3 299.334 2.142 20 5 CEBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813101874 632620610 /nfs/dbraw/zinc/62/06/10/632620610.db2.gz KMLYHZMKDZGPLN-NSHDSACASA-N 0 3 251.282 2.054 20 5 CEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813102174 632621978 /nfs/dbraw/zinc/62/19/78/632621978.db2.gz CDOSGAPSQSDZFM-SSDOTTSWSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)Cc1coc(-c2cccs2)n1)[N+](=O)[O-] ZINC000813102701 632622161 /nfs/dbraw/zinc/62/21/61/632622161.db2.gz IZDIRRCUYSAQFP-MRVPVSSYSA-N 0 3 296.304 2.154 20 5 CEBDHN CC(COC(=O)c1cccc([C@@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813104095 632623010 /nfs/dbraw/zinc/62/30/10/632623010.db2.gz JVADDGOKYUDPTH-ZWNOBZJWSA-N 0 3 279.292 2.013 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cn1ccc2ccccc21)[N+](=O)[O-] ZINC000813105418 632623776 /nfs/dbraw/zinc/62/37/76/632623776.db2.gz ZFIWHRJRPJXCME-NWDGAFQWSA-N 0 3 290.319 2.486 20 5 CEBDHN Cc1cnn(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)c1 ZINC000813107266 632624336 /nfs/dbraw/zinc/62/43/36/632624336.db2.gz OCHAIIBPTCIXGO-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813108979 632625988 /nfs/dbraw/zinc/62/59/88/632625988.db2.gz NJCQJJGEWQENBX-SFYZADRCSA-N 0 3 251.229 2.020 20 5 CEBDHN Cc1nc(-c2ccccc2)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109566 632626786 /nfs/dbraw/zinc/62/67/86/632626786.db2.gz MDUKLVBFGNYVGI-SECBINFHSA-N 0 3 290.275 2.472 20 5 CEBDHN COc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCC2)cc1 ZINC000813111703 632627448 /nfs/dbraw/zinc/62/74/48/632627448.db2.gz KJLSQKUUYCUNSG-LLVKDONJSA-N 0 3 293.319 2.325 20 5 CEBDHN CC(COC(=O)CSc1ccc(F)cc1)[N+](=O)[O-] ZINC000813115746 632629121 /nfs/dbraw/zinc/62/91/21/632629121.db2.gz ZBKJFKLFZSWFOX-QMMMGPOBSA-N 0 3 273.285 2.126 20 5 CEBDHN COc1ccc(OCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115405 632629637 /nfs/dbraw/zinc/62/96/37/632629637.db2.gz RCLZZDXBYQPFHF-LLVKDONJSA-N 0 3 297.307 2.063 20 5 CEBDHN COc1cc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)cc([N+](=O)[O-])c1 ZINC000903190266 635013755 /nfs/dbraw/zinc/01/37/55/635013755.db2.gz RDEWFMLCJQQSKB-UDZFHETQSA-N 0 3 280.324 2.167 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827500757 636339130 /nfs/dbraw/zinc/33/91/30/636339130.db2.gz JKKQWFXZJYMPJR-AOOOYVTPSA-N 0 3 298.726 2.289 20 5 CEBDHN O=C(CCNC/C=C\Cl)Nc1ccccc1[N+](=O)[O-] ZINC000905707505 636398582 /nfs/dbraw/zinc/39/85/82/636398582.db2.gz KCUJVJBSYJSINM-CLTKARDFSA-N 0 3 283.715 2.266 20 5 CEBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000828987983 636746478 /nfs/dbraw/zinc/74/64/78/636746478.db2.gz OTRUUDPCAVXLCA-RNCFNFMXSA-N 0 3 281.743 2.389 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000831001400 637214423 /nfs/dbraw/zinc/21/44/23/637214423.db2.gz ROARQSVIDFRMMF-PWSUYJOCSA-N 0 3 296.298 2.165 20 5 CEBDHN CCOC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045687061 639462284 /nfs/dbraw/zinc/46/22/84/639462284.db2.gz FSGZKVCRYJOUOR-SNVBAGLBSA-N 0 3 266.297 2.199 20 5 CEBDHN CC[C@@H](N)c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000229937094 639724991 /nfs/dbraw/zinc/72/49/91/639724991.db2.gz QUZUIJARRQSFEW-SNVBAGLBSA-N 0 3 295.730 2.298 20 5 CEBDHN COc1cc(Cl)c(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000842363687 640030460 /nfs/dbraw/zinc/03/04/60/640030460.db2.gz NXUGNBYJALIIRT-ZCFIWIBFSA-N 0 3 291.662 2.310 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCC[C@H]1O ZINC000089168865 640143487 /nfs/dbraw/zinc/14/34/87/640143487.db2.gz FOPRTQLZFZKEEM-GXFFZTMASA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)[C@@H]1CSC[C@H]1c1ccccc1)[N+](=O)[O-] ZINC000845575903 641002494 /nfs/dbraw/zinc/00/24/94/641002494.db2.gz JAHGGCSAJZLIBW-KGYLQXTDSA-N 0 3 295.360 2.342 20 5 CEBDHN CCOCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873688 641117853 /nfs/dbraw/zinc/11/78/53/641117853.db2.gz VSDFELSOHXMILD-TVQRCGJNSA-N 0 3 285.271 2.112 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](O)[C@H](C)C1 ZINC000877433962 650719321 /nfs/dbraw/zinc/71/93/21/650719321.db2.gz KWQFPOSXLSZJNE-ABAIWWIYSA-N 0 3 278.352 2.414 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[C@H](CO)C1 ZINC000923003791 643508255 /nfs/dbraw/zinc/50/82/55/643508255.db2.gz KSDYEDVHXWOOKU-JLIMDTESSA-N 0 3 270.716 2.109 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(F)c1 ZINC000865697549 647429225 /nfs/dbraw/zinc/42/92/25/647429225.db2.gz ZETYQXOTPJBKIC-HHVGHTAVSA-N 0 3 292.310 2.247 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCOC2)cc1Cl ZINC000783647768 647743085 /nfs/dbraw/zinc/74/30/85/647743085.db2.gz XJRRBIXDOAZSAA-VIFPVBQESA-N 0 3 256.689 2.127 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H]2C)c1 ZINC000783918112 647777114 /nfs/dbraw/zinc/77/71/14/647777114.db2.gz OOUMEZHVKKAIOZ-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CC(COC(=O)[C@@H]1Cc2ccc(Cl)cc21)[N+](=O)[O-] ZINC000870378417 648790498 /nfs/dbraw/zinc/79/04/98/648790498.db2.gz WPAVJCHNPOZYPA-WRWORJQWSA-N 0 3 269.684 2.188 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[S@@](C)=O ZINC000873105351 649559211 /nfs/dbraw/zinc/55/92/11/649559211.db2.gz ZSKZZZKIVLSJAQ-GIGQVBGESA-N 0 3 284.381 2.068 20 5 CEBDHN CC[C@H](O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000127367696 651198965 /nfs/dbraw/zinc/19/89/65/651198965.db2.gz MOOPTGZVHAILDT-NSHDSACASA-N 0 3 272.732 2.499 20 5 CEBDHN CSC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000879098852 651243557 /nfs/dbraw/zinc/24/35/57/651243557.db2.gz JOKFJDFILFXHMW-CQSZACIVSA-N 0 3 296.392 2.456 20 5 CEBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000879684760 651339209 /nfs/dbraw/zinc/33/92/09/651339209.db2.gz NZRCTWHGHHTDOI-NSHDSACASA-N 0 3 290.323 2.058 20 5 CEBDHN CO[C@H]1COCC[C@@H]1N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435857 651440504 /nfs/dbraw/zinc/44/05/04/651440504.db2.gz WASZQTVTPKIMPR-ZFWWWQNUSA-N 0 3 294.351 2.139 20 5 CEBDHN CC(=O)c1c(NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000881849489 651900900 /nfs/dbraw/zinc/90/09/00/651900900.db2.gz PAIVOWLEUNLTPY-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN CC(=O)c1c(NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000882161969 651985988 /nfs/dbraw/zinc/98/59/88/651985988.db2.gz QJZWHIWUHONMFH-UHFFFAOYSA-N 0 3 289.335 2.471 20 5 CEBDHN CCN1CC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356952 652441162 /nfs/dbraw/zinc/44/11/62/652441162.db2.gz ZIMFQRPXIIOVDS-AAEUAGOBSA-N 0 3 293.367 2.348 20 5 CEBDHN CC[C@H](CCO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134388529 802834940 /nfs/dbraw/zinc/83/49/40/802834940.db2.gz HRUASIUZQAKDPN-LLVKDONJSA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1cccc(O[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC001225634068 805052759 /nfs/dbraw/zinc/05/27/59/805052759.db2.gz ZIAFUFKIBBLEPE-LLVKDONJSA-N 0 3 250.298 2.376 20 5 CEBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999750 811328263 /nfs/dbraw/zinc/32/82/63/811328263.db2.gz VBKCLLPFJHFXLE-KOLCDFICSA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC3(C2)CC(F)(F)C3)C1 ZINC001169005972 811332480 /nfs/dbraw/zinc/33/24/80/811332480.db2.gz DQWGWRGSKNNZEK-ZJUUUORDSA-N 0 3 260.284 2.163 20 5 CEBDHN CN(Cc1cncs1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046691 811355752 /nfs/dbraw/zinc/35/57/52/811355752.db2.gz LVJGUUUJYXZELU-NXEZZACHSA-N 0 3 255.343 2.020 20 5 CEBDHN Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc([C@H](C)N)n1 ZINC001169236453 811456351 /nfs/dbraw/zinc/45/63/51/811456351.db2.gz DUPKVVQPBWSNDC-QMMMGPOBSA-N 0 3 264.260 2.248 20 5 CEBDHN C[C@@H]1COCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001170816440 813440325 /nfs/dbraw/zinc/44/03/25/813440325.db2.gz BXEKTKQLWGUTPP-SKDRFNHKSA-N 0 3 277.324 2.035 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccncn1 ZINC001173235958 815634149 /nfs/dbraw/zinc/63/41/49/815634149.db2.gz CZIKURMUADBOBP-LBPRGKRZSA-N 0 3 286.335 2.448 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@@H](O)C(F)F ZINC000601298547 346815563 /nfs/dbraw/zinc/81/55/63/346815563.db2.gz JKPMFSJJJOEDBP-CMPLNLGQSA-N 0 3 286.278 2.188 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCC[C@@H]1O ZINC000601303524 346816031 /nfs/dbraw/zinc/81/60/31/346816031.db2.gz FSLDSKYKTMHCDG-ICCXJUOJSA-N 0 3 280.324 2.167 20 5 CEBDHN CN(C)[C@@H](CNc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000357057389 282169361 /nfs/dbraw/zinc/16/93/61/282169361.db2.gz VMBXRLHXISZWNH-LBPRGKRZSA-N 0 3 292.364 2.188 20 5 CEBDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334573 187233677 /nfs/dbraw/zinc/23/36/77/187233677.db2.gz NUKBKQBXDRKPLK-WCQYABFASA-N 0 3 291.351 2.256 20 5 CEBDHN CC(C)OC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000337335961 214013738 /nfs/dbraw/zinc/01/37/38/214013738.db2.gz LVMXLDISBZLMJF-NSHDSACASA-N 0 3 252.314 2.498 20 5 CEBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000449514826 282267478 /nfs/dbraw/zinc/26/74/78/282267478.db2.gz XBEXBXVRGWZMSG-KGLIPLIRSA-N 0 3 292.335 2.416 20 5 CEBDHN C[C@@H]1CCCN(CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047146825 343512054 /nfs/dbraw/zinc/51/20/54/343512054.db2.gz PXLBVRDEVGOYNV-GFCCVEGCSA-N 0 3 291.351 2.057 20 5 CEBDHN COCCN1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000068911182 343776970 /nfs/dbraw/zinc/77/69/70/343776970.db2.gz XQIFXWBTOUSCRS-LBPRGKRZSA-N 0 3 279.340 2.118 20 5 CEBDHN CN(CC(=O)NCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000602076265 346968895 /nfs/dbraw/zinc/96/88/95/346968895.db2.gz WCHSOQQRIQRWOA-UHFFFAOYSA-N 0 3 293.367 2.189 20 5 CEBDHN CN(C)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075640141 343860539 /nfs/dbraw/zinc/86/05/39/343860539.db2.gz PBIRBODAINJONJ-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN Cc1cnc(N2CCC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078632032 343959196 /nfs/dbraw/zinc/95/91/96/343959196.db2.gz BCQFYYFIMMOJPV-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049099988 362338828 /nfs/dbraw/zinc/33/88/28/362338828.db2.gz YMQKHAMHXOHJGW-SNVBAGLBSA-N 0 3 280.284 2.009 20 5 CEBDHN CCN[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602448941 347037435 /nfs/dbraw/zinc/03/74/35/347037435.db2.gz WKCXJBVRPOVLTP-GFCCVEGCSA-N 0 3 293.367 2.330 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(C)C)CC1 ZINC000117190255 344288849 /nfs/dbraw/zinc/28/88/49/344288849.db2.gz UQNFALHJHOQGEE-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN COc1ccc(NC(=O)[C@H]2CCCCCN2)cc1[N+](=O)[O-] ZINC000136479179 344385311 /nfs/dbraw/zinc/38/53/11/344385311.db2.gz IAPCZOBOTZEROB-LLVKDONJSA-N 0 3 293.323 2.074 20 5 CEBDHN CCN1CCC[C@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162604951 344468062 /nfs/dbraw/zinc/46/80/62/344468062.db2.gz MFOKNTXQKIWHBY-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN CCN[C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602517176 347064716 /nfs/dbraw/zinc/06/47/16/347064716.db2.gz XAPDAGTWAADIQT-LLVKDONJSA-N 0 3 291.351 2.084 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](CO)CC2)cc1 ZINC000292981310 344690329 /nfs/dbraw/zinc/69/03/29/344690329.db2.gz BHGNSSDNFMPWTJ-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN Cc1cncc(CCNCc2ccccc2[N+](=O)[O-])n1 ZINC000402819351 344873825 /nfs/dbraw/zinc/87/38/25/344873825.db2.gz HASMSQKEKOHPRC-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN C[C@H]1CN(c2ccncc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877335 345104132 /nfs/dbraw/zinc/10/41/32/345104132.db2.gz WQAPYESQHJSXJN-GFCCVEGCSA-N 0 3 290.367 2.300 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000590657331 345156451 /nfs/dbraw/zinc/15/64/51/345156451.db2.gz GKUHKVWITHDBTJ-OLZOCXBDSA-N 0 3 292.335 2.335 20 5 CEBDHN CC(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140089 345223870 /nfs/dbraw/zinc/22/38/70/345223870.db2.gz KVFBVUIOAMJBFG-VIFPVBQESA-N 0 3 268.292 2.024 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1CNC1CC=CC1)OCCO2 ZINC000591501577 345261802 /nfs/dbraw/zinc/26/18/02/345261802.db2.gz XKUHTSYVJNALHI-UHFFFAOYSA-N 0 3 276.292 2.174 20 5 CEBDHN CC[C@H](C)C[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000592374441 345347447 /nfs/dbraw/zinc/34/74/47/345347447.db2.gz GYVWVTIMGJUYEM-AAEUAGOBSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1ncccc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594599993 345655965 /nfs/dbraw/zinc/65/59/65/345655965.db2.gz KYECQOIWIUEUCO-AAEUAGOBSA-N 0 3 276.340 2.419 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936850 345709576 /nfs/dbraw/zinc/70/95/76/345709576.db2.gz WXWCXTRZODJRRM-XKAARJIMSA-N 0 3 292.335 2.443 20 5 CEBDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000594938695 345710309 /nfs/dbraw/zinc/71/03/09/345710309.db2.gz OKCYIYBYTFYOEV-KGYLQXTDSA-N 0 3 292.335 2.190 20 5 CEBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964644 345718608 /nfs/dbraw/zinc/71/86/08/345718608.db2.gz LLKHEDIIGTUDEK-ZGLRSVDFSA-N 0 3 296.392 2.374 20 5 CEBDHN CO[C@@]1(C)C[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594995704 345723188 /nfs/dbraw/zinc/72/31/88/345723188.db2.gz OSCFWGLPSDWYGZ-OLZOCXBDSA-N 0 3 250.298 2.170 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCN(C)C1 ZINC000595017707 345728230 /nfs/dbraw/zinc/72/82/30/345728230.db2.gz NDJVENSLNUIFOF-NEPJUHHUSA-N 0 3 293.367 2.348 20 5 CEBDHN CC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021457 345728968 /nfs/dbraw/zinc/72/89/68/345728968.db2.gz XVQKDIZLIZOVIY-YGRLFVJLSA-N 0 3 282.340 2.415 20 5 CEBDHN CC[C@@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023557 345729764 /nfs/dbraw/zinc/72/97/64/345729764.db2.gz CWBPCPLCSKURBT-QWRGUYRKSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)CC1CC1 ZINC000595036771 345732244 /nfs/dbraw/zinc/73/22/44/345732244.db2.gz VZPBREAOQLOXOQ-JQWIXIFHSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407844 345775963 /nfs/dbraw/zinc/77/59/63/345775963.db2.gz HJHWAAMEDSOYRJ-WDEREUQCSA-N 0 3 281.331 2.258 20 5 CEBDHN COc1cc(CNC2(CCO)CCCC2)ccc1[N+](=O)[O-] ZINC000595508974 345799167 /nfs/dbraw/zinc/79/91/67/345799167.db2.gz MNCCBTAMJPLUJO-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN C[C@@]12COC[C@@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756919 345868417 /nfs/dbraw/zinc/86/84/17/345868417.db2.gz HRINNXWCFPSHQD-GXTWGEPZSA-N 0 3 262.309 2.063 20 5 CEBDHN CC1CC[NH+](CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596062483 345930899 /nfs/dbraw/zinc/93/08/99/345930899.db2.gz PZNCDSNEDQNIPQ-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000596079080 345934907 /nfs/dbraw/zinc/93/49/07/345934907.db2.gz YGJMZFAZPOFTIS-MNOVXSKESA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000596079080 345934910 /nfs/dbraw/zinc/93/49/10/345934910.db2.gz YGJMZFAZPOFTIS-MNOVXSKESA-N 0 3 294.355 2.228 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOCCF ZINC000596095515 345938635 /nfs/dbraw/zinc/93/86/35/345938635.db2.gz QLQZJQDYGFVZJE-GFCCVEGCSA-N 0 3 268.288 2.158 20 5 CEBDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596269180 345986521 /nfs/dbraw/zinc/98/65/21/345986521.db2.gz OOZOJEXPOYZAME-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000597047275 346120212 /nfs/dbraw/zinc/12/02/12/346120212.db2.gz PWUCLEQAWXCITA-OCCSQVGLSA-N 0 3 262.309 2.252 20 5 CEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598041236 346274526 /nfs/dbraw/zinc/27/45/26/346274526.db2.gz JYVNWCDSHJBFQD-CQSZACIVSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000599000796 346444672 /nfs/dbraw/zinc/44/46/72/346444672.db2.gz WDEGJLMUHIQCLD-DYNIEEOBSA-N 0 3 264.325 2.496 20 5 CEBDHN CC1(C)OC[C@@H]2C[C@@]21NCc1cccc([N+](=O)[O-])c1 ZINC000598988647 346442809 /nfs/dbraw/zinc/44/28/09/346442809.db2.gz UITFLUKBJWLPKX-SMDDNHRTSA-N 0 3 262.309 2.252 20 5 CEBDHN CN(C)CCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599056429 346453835 /nfs/dbraw/zinc/45/38/35/346453835.db2.gz YLVLHLCSOAWOKJ-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)Cc2ccccc2)cc1 ZINC000063218439 362762627 /nfs/dbraw/zinc/76/26/27/362762627.db2.gz DHFZXDVYSVUGKA-HNNXBMFYSA-N 0 3 286.331 2.288 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCOC2)c(F)c1 ZINC000336809498 365847052 /nfs/dbraw/zinc/84/70/52/365847052.db2.gz FQMLSDQPPKJFHL-SNVBAGLBSA-N 0 3 268.288 2.250 20 5 CEBDHN CN(C)CCN(C)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601123792 346760028 /nfs/dbraw/zinc/76/00/28/346760028.db2.gz JRLWVFJGFFGAKB-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000601188725 346781261 /nfs/dbraw/zinc/78/12/61/346781261.db2.gz MFNSWEXPFYHUFB-GFCCVEGCSA-N 0 3 295.387 2.040 20 5 CEBDHN Cc1ccc(CNC[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000336818073 365862956 /nfs/dbraw/zinc/86/29/56/365862956.db2.gz TWMTYTWOFYRCML-AWEZNQCLSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNC2(CF)CCOCC2)cc1 ZINC000602680532 347140952 /nfs/dbraw/zinc/14/09/52/347140952.db2.gz PATJPNSYUIYOEQ-UHFFFAOYSA-N 0 3 282.315 2.246 20 5 CEBDHN CCc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602685071 347144934 /nfs/dbraw/zinc/14/49/34/347144934.db2.gz XNDGBWKBZLBVTL-UHFFFAOYSA-N 0 3 275.308 2.478 20 5 CEBDHN C[C@@](CO)(NCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000602962882 347258506 /nfs/dbraw/zinc/25/85/06/347258506.db2.gz PXWANVVRKZGFIR-AWEZNQCLSA-N 0 3 264.325 2.192 20 5 CEBDHN CSCCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602966106 347259073 /nfs/dbraw/zinc/25/90/73/347259073.db2.gz WYWRMBXDTHZTLV-CYBMUJFWSA-N 0 3 284.381 2.145 20 5 CEBDHN COc1ccc(CNC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085985263 179211249 /nfs/dbraw/zinc/21/12/49/179211249.db2.gz NGBUOXQQGUFQKD-JSGCOSHPSA-N 0 3 294.351 2.244 20 5 CEBDHN CCc1nocc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000339334572 215101093 /nfs/dbraw/zinc/10/10/93/215101093.db2.gz DVXNSMDPGOTIKS-UHFFFAOYSA-N 0 3 275.308 2.478 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN(C)C)C2)c1 ZINC000611132794 347742850 /nfs/dbraw/zinc/74/28/50/347742850.db2.gz OUTKCZMXBLAZEE-CYBMUJFWSA-N 0 3 293.367 2.060 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612135268 347848326 /nfs/dbraw/zinc/84/83/26/347848326.db2.gz YELKZMNGMHDUPR-NDPMZMCLSA-N 0 3 276.336 2.359 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000612577400 347903770 /nfs/dbraw/zinc/90/37/70/347903770.db2.gz FCXXUEYIQURYBU-CYBMUJFWSA-N 0 3 277.368 2.429 20 5 CEBDHN CC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1C ZINC000612580246 347903961 /nfs/dbraw/zinc/90/39/61/347903961.db2.gz DOQPMKVZSGYKDV-LBPRGKRZSA-N 0 3 252.314 2.418 20 5 CEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000273997343 192395975 /nfs/dbraw/zinc/39/59/75/192395975.db2.gz KKFHEUVZQGCLLD-GHMZBOCLSA-N 0 3 280.324 2.272 20 5 CEBDHN CSC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825183 539731328 /nfs/dbraw/zinc/73/13/28/539731328.db2.gz AHYOZPFHQURLRZ-GXFFZTMASA-N 0 3 284.381 2.359 20 5 CEBDHN CCN1CCC[C@@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692107 180024859 /nfs/dbraw/zinc/02/48/59/180024859.db2.gz HFCCCAZYFFUDCN-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN CCC[C@@H](NCC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000090949077 180071373 /nfs/dbraw/zinc/07/13/73/180071373.db2.gz LSHXCOQUNGJKAH-HUUCEWRRSA-N 0 3 296.367 2.423 20 5 CEBDHN COc1cc(NCCN(C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000091459817 180161073 /nfs/dbraw/zinc/16/10/73/180161073.db2.gz HLIMBNFGKXHFKT-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN CC(C)(CO)[C@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000339730865 215318947 /nfs/dbraw/zinc/31/89/47/215318947.db2.gz JXFNUNIOADZJCT-CQSZACIVSA-N 0 3 278.352 2.482 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCOC1 ZINC000130580580 365969034 /nfs/dbraw/zinc/96/90/34/365969034.db2.gz VHNFJZMUXKOQFC-QWRGUYRKSA-N 0 3 280.324 2.118 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2COC3(CCCC3)O2)c1 ZINC000271421112 191128204 /nfs/dbraw/zinc/12/82/04/191128204.db2.gz MCLSUSKJWNIXCW-CQSZACIVSA-N 0 3 292.335 2.370 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H]1CCOC1 ZINC000337215811 366081765 /nfs/dbraw/zinc/08/17/65/366081765.db2.gz HBTUPMJWXIXHLS-PWSUYJOCSA-N 0 3 280.324 2.118 20 5 CEBDHN CCC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463791 187831640 /nfs/dbraw/zinc/83/16/40/187831640.db2.gz XLUMKJAYPFXKFP-MNOVXSKESA-N 0 3 252.314 2.406 20 5 CEBDHN CC(C)N1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155337354 188199965 /nfs/dbraw/zinc/19/99/65/188199965.db2.gz LNTRHPBKJVEQBH-AAEUAGOBSA-N 0 3 291.351 2.053 20 5 CEBDHN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000337231661 366094247 /nfs/dbraw/zinc/09/42/47/366094247.db2.gz XJBITOIGFJHFSL-VHSXEESVSA-N 0 3 268.288 2.249 20 5 CEBDHN Cc1cc(N2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000074727030 363376273 /nfs/dbraw/zinc/37/62/73/363376273.db2.gz GJHBKMPIDAPWAJ-UHFFFAOYSA-N 0 3 299.334 2.020 20 5 CEBDHN Cc1cc(N2CC[C@@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749545 363382628 /nfs/dbraw/zinc/38/26/28/363382628.db2.gz SQTFIZHJQRATOJ-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN COc1cc(CN[C@@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000451629506 283057526 /nfs/dbraw/zinc/05/75/26/283057526.db2.gz HSCVXUNQVQHOKJ-DGCLKSJQSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778811 191321381 /nfs/dbraw/zinc/32/13/81/191321381.db2.gz KNLZXHGYWBKGGC-OCCSQVGLSA-N 0 3 296.367 2.340 20 5 CEBDHN CCCN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000174852487 283269037 /nfs/dbraw/zinc/26/90/37/283269037.db2.gz UKRXLYWVNLFICT-CQSZACIVSA-N 0 3 296.371 2.072 20 5 CEBDHN C[C@@H](NCC1=CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294425262 199034462 /nfs/dbraw/zinc/03/44/62/199034462.db2.gz ULSQPBXZIVEAMN-SNVBAGLBSA-N 0 3 277.324 2.174 20 5 CEBDHN COCCOCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000079402093 363595061 /nfs/dbraw/zinc/59/50/61/363595061.db2.gz XTXZYJPHSJAQLK-UHFFFAOYSA-N 0 3 296.367 2.468 20 5 CEBDHN C[C@H](N[C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306411 366423929 /nfs/dbraw/zinc/42/39/29/366423929.db2.gz IZMKUGBVANWGCM-CWSCBRNRSA-N 0 3 250.298 2.423 20 5 CEBDHN CCC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463150 366442402 /nfs/dbraw/zinc/44/24/02/366442402.db2.gz QGBPIXAGUOLSJH-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297307771 200142589 /nfs/dbraw/zinc/14/25/89/200142589.db2.gz YZHACEJRUNJHNZ-GFCCVEGCSA-N 0 3 293.371 2.370 20 5 CEBDHN C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000148479854 366582950 /nfs/dbraw/zinc/58/29/50/366582950.db2.gz CMJIMQHPPGWRKE-ZETCQYMHSA-N 0 3 258.709 2.005 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000298135371 200342260 /nfs/dbraw/zinc/34/22/60/200342260.db2.gz BNZPNGOCMOIYNL-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392107 283549091 /nfs/dbraw/zinc/54/90/91/283549091.db2.gz ZDAYECKEQWJACW-HZMBPMFUSA-N 0 3 291.351 2.086 20 5 CEBDHN COCC[C@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373491 189111465 /nfs/dbraw/zinc/11/14/65/189111465.db2.gz KDTYSVXLENEKSK-DOMZBBRYSA-N 0 3 296.367 2.341 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCOC1 ZINC000342309861 216302985 /nfs/dbraw/zinc/30/29/85/216302985.db2.gz HUWQXZNASULERJ-ACVFHECNSA-N 0 3 262.309 2.377 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N1CCNC[C@](C)(F)C1 ZINC000580294859 366777054 /nfs/dbraw/zinc/77/70/54/366777054.db2.gz ZUEMFODOJPDXBQ-ZDUSSCGKSA-N 0 3 267.304 2.041 20 5 CEBDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428926 361534862 /nfs/dbraw/zinc/53/48/62/361534862.db2.gz HJPUPYWYQCWJNP-QPUJVOFHSA-N 0 3 265.313 2.215 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCc2cscn2)cs1 ZINC000111627367 364747454 /nfs/dbraw/zinc/74/74/54/364747454.db2.gz AGHKDHXARPUMHV-UHFFFAOYSA-N 0 3 269.351 2.445 20 5 CEBDHN CCC(CC)[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000111404538 364734711 /nfs/dbraw/zinc/73/47/11/364734711.db2.gz WPCDALRIAKHFDB-CQSZACIVSA-N 0 3 266.341 2.482 20 5 CEBDHN COC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000113507100 364901982 /nfs/dbraw/zinc/90/19/82/364901982.db2.gz XRBAJVPQRGEWBO-UHFFFAOYSA-N 0 3 280.324 2.368 20 5 CEBDHN CN(C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275592266 193081489 /nfs/dbraw/zinc/08/14/89/193081489.db2.gz GITZYINREBSJLZ-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000168130964 367346752 /nfs/dbraw/zinc/34/67/52/367346752.db2.gz DLDZRWNRHOAWAN-RKDXNWHRSA-N 0 3 272.732 2.355 20 5 CEBDHN CN(CCN1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000342081245 367384861 /nfs/dbraw/zinc/38/48/61/367384861.db2.gz VYKFWCXREYPMEZ-UHFFFAOYSA-N 0 3 267.304 2.266 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCC[C@H]1O ZINC000348547312 369082754 /nfs/dbraw/zinc/08/27/54/369082754.db2.gz OLMPFFDIHXPOPE-UONOGXRCSA-N 0 3 264.325 2.248 20 5 CEBDHN CSC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234697 369322689 /nfs/dbraw/zinc/32/26/89/369322689.db2.gz DXHKIZYWWPLNFM-ZYHUDNBSSA-N 0 3 284.381 2.278 20 5 CEBDHN COc1ccc(CN[C@@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000189123174 369462291 /nfs/dbraw/zinc/46/22/91/369462291.db2.gz CCCRTUYCXVHVOS-UWVGGRQHSA-N 0 3 268.313 2.116 20 5 CEBDHN CCN1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352406493 369715271 /nfs/dbraw/zinc/71/52/71/369715271.db2.gz QBVMYSDADXCOQL-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN C[C@@H]1CC(O)C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000191287537 369697753 /nfs/dbraw/zinc/69/77/53/369697753.db2.gz IUVUZCPFUMBWMN-ONXXMXGDSA-N 0 3 294.351 2.207 20 5 CEBDHN C[C@H](NCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000224009090 370274547 /nfs/dbraw/zinc/27/45/47/370274547.db2.gz BBWJUPULFJGRQC-NSHDSACASA-N 0 3 252.314 2.408 20 5 CEBDHN CC[C@H](N[C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223966904 370275010 /nfs/dbraw/zinc/27/50/10/370275010.db2.gz KRMVUMLBTQTROA-OCCSQVGLSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCSC2)cs1 ZINC000228558637 370406476 /nfs/dbraw/zinc/40/64/76/370406476.db2.gz IZUPSWYERJANBO-MRVPVSSYSA-N 0 3 258.368 2.499 20 5 CEBDHN CC[C@@H]1CCCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000354641620 370447911 /nfs/dbraw/zinc/44/79/11/370447911.db2.gz YDWCPFFHXUHCPO-GFCCVEGCSA-N 0 3 278.356 2.088 20 5 CEBDHN CSCC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321135 371013368 /nfs/dbraw/zinc/01/33/68/371013368.db2.gz QQPAKLOURNRPBF-JQWIXIFHSA-N 0 3 284.381 2.359 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CCN(C3CC3)C2)n1 ZINC000359079487 371329699 /nfs/dbraw/zinc/32/96/99/371329699.db2.gz BHALHWGSMNMZOW-CYBMUJFWSA-N 0 3 290.367 2.280 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000359153836 371356128 /nfs/dbraw/zinc/35/61/28/371356128.db2.gz MANNXRRUJOILJC-CHWSQXEVSA-N 0 3 268.288 2.127 20 5 CEBDHN C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000252137511 371433015 /nfs/dbraw/zinc/43/30/15/371433015.db2.gz LSBYOOXXPXCPGG-BXUZGUMPSA-N 0 3 264.325 2.360 20 5 CEBDHN Cc1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252544388 371454135 /nfs/dbraw/zinc/45/41/35/371454135.db2.gz IEEVRBFIAPPNEM-QWHCGFSZSA-N 0 3 291.351 2.178 20 5 CEBDHN C[C@@H](O)CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255427750 371588054 /nfs/dbraw/zinc/58/80/54/371588054.db2.gz UOXCQWWRGVAURI-SMYYYNMVSA-N 0 3 264.325 2.311 20 5 CEBDHN C[C@H](NC[C@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269000883 372311265 /nfs/dbraw/zinc/31/12/65/372311265.db2.gz UUYHONINBHYZDC-GXFFZTMASA-N 0 3 282.365 2.113 20 5 CEBDHN C[C@H]1CCC[C@H](CO)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729993 372550287 /nfs/dbraw/zinc/55/02/87/372550287.db2.gz XMMMYLUMMSJDNP-SMDDNHRTSA-N 0 3 264.325 2.330 20 5 CEBDHN CC(C)(C)C1=CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000270348640 372749560 /nfs/dbraw/zinc/74/95/60/372749560.db2.gz HCOARQZTOAVLQB-UHFFFAOYSA-N 0 3 278.356 2.470 20 5 CEBDHN COc1ccc(CN2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000353453934 220091678 /nfs/dbraw/zinc/09/16/78/220091678.db2.gz HORNDKYINIZDEB-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270949239 373029811 /nfs/dbraw/zinc/02/98/11/373029811.db2.gz SOMTVJQHFHTTLL-JTNHKYCSSA-N 0 3 264.325 2.359 20 5 CEBDHN COc1cccc(CCNCc2csc([N+](=O)[O-])c2)n1 ZINC000344954511 217366803 /nfs/dbraw/zinc/36/68/03/217366803.db2.gz NLWLCCJAHMUKAR-UHFFFAOYSA-N 0 3 293.348 2.392 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CCCC2)cs1 ZINC000289546522 197397925 /nfs/dbraw/zinc/39/79/25/197397925.db2.gz NZJGLKRWLRPJFQ-NSHDSACASA-N 0 3 270.354 2.297 20 5 CEBDHN Cc1sc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000408227079 375434392 /nfs/dbraw/zinc/43/43/92/375434392.db2.gz QXPXTRTXXXYUAL-WCBMZHEXSA-N 0 3 297.380 2.177 20 5 CEBDHN CC(C)C[C@@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096144 375808431 /nfs/dbraw/zinc/80/84/31/375808431.db2.gz MQAKBLVHYLHMDN-PWSUYJOCSA-N 0 3 281.356 2.235 20 5 CEBDHN CCN1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286616697 376013467 /nfs/dbraw/zinc/01/34/67/376013467.db2.gz RUIZTSQXJGPCIQ-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263732713 190075341 /nfs/dbraw/zinc/07/53/41/190075341.db2.gz QGDVSAUTYWXTEE-NSHDSACASA-N 0 3 250.298 2.315 20 5 CEBDHN Cc1cc(N2CCNC[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420217002 376623139 /nfs/dbraw/zinc/62/31/39/376623139.db2.gz HFNXWPXBNYXEGF-LLVKDONJSA-N 0 3 286.335 2.250 20 5 CEBDHN CN(C)C1(CNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000313681042 376749407 /nfs/dbraw/zinc/74/94/07/376749407.db2.gz PCVGFFLJEZVPKY-UHFFFAOYSA-N 0 3 281.331 2.308 20 5 CEBDHN C[C@H](O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264764648 190133733 /nfs/dbraw/zinc/13/37/33/190133733.db2.gz ZHCKPWLDPIARJC-LBPRGKRZSA-N 0 3 294.351 2.066 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCOC1 ZINC000563735764 377287938 /nfs/dbraw/zinc/28/79/38/377287938.db2.gz WAHZIYPTMYFQLR-GWCFXTLKSA-N 0 3 262.309 2.351 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cc1Cl ZINC000265480165 190185573 /nfs/dbraw/zinc/18/55/73/190185573.db2.gz HBRYRPWZIRVDAL-SNVBAGLBSA-N 0 3 298.774 2.421 20 5 CEBDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000293518676 377604253 /nfs/dbraw/zinc/60/42/53/377604253.db2.gz VVWUTTBQBDOPBX-WDEREUQCSA-N 0 3 277.324 2.264 20 5 CEBDHN Cc1ccc([C@@H](O)CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC000265975293 190220037 /nfs/dbraw/zinc/22/00/37/190220037.db2.gz LSALSJYFABWTFJ-ZDUSSCGKSA-N 0 3 276.292 2.319 20 5 CEBDHN CC(C)C[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000294888663 378026785 /nfs/dbraw/zinc/02/67/85/378026785.db2.gz FXGNAIBPRNSRHN-LBPRGKRZSA-N 0 3 293.371 2.307 20 5 CEBDHN C[C@@H]1CCN(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450332609 378359860 /nfs/dbraw/zinc/35/98/60/378359860.db2.gz VCDVSQNZFBUBOU-SNVBAGLBSA-N 0 3 289.339 2.002 20 5 CEBDHN CCN1CCC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000296199038 378451509 /nfs/dbraw/zinc/45/15/09/378451509.db2.gz BZOMSWRJEIPHMX-NSHDSACASA-N 0 3 290.367 2.459 20 5 CEBDHN Cc1cc(NC[C@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000450612662 378499488 /nfs/dbraw/zinc/49/94/88/378499488.db2.gz KJZKCVYSASBAIK-CQSZACIVSA-N 0 3 293.367 2.162 20 5 CEBDHN CC[C@H](NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395928 378885384 /nfs/dbraw/zinc/88/53/84/378885384.db2.gz IGJOFYZKCISHBK-ZFWWWQNUSA-N 0 3 291.351 2.304 20 5 CEBDHN CN(C)CCSc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347408319 218226065 /nfs/dbraw/zinc/22/60/65/218226065.db2.gz MVUGPWHUBHPJDX-UHFFFAOYSA-N 0 3 278.337 2.192 20 5 CEBDHN COc1ccc(OCCN2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266504234 190262123 /nfs/dbraw/zinc/26/21/23/190262123.db2.gz BJUJMSWNBVHPHQ-LLVKDONJSA-N 0 3 280.324 2.324 20 5 CEBDHN Cc1ccnc(NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301310210 379255619 /nfs/dbraw/zinc/25/56/19/379255619.db2.gz ZBLZULDDINKRRK-LLVKDONJSA-N 0 3 278.356 2.442 20 5 CEBDHN COc1ccc(CNC[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000304071212 379519779 /nfs/dbraw/zinc/51/97/79/379519779.db2.gz VLIDRMHGIXMSBX-CQSZACIVSA-N 0 3 282.340 2.100 20 5 CEBDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481195 380253867 /nfs/dbraw/zinc/25/38/67/380253867.db2.gz WOVUVLPZFHWXDE-OLZOCXBDSA-N 0 3 294.351 2.441 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000552137676 380688260 /nfs/dbraw/zinc/68/82/60/380688260.db2.gz DYABDYZKICMWCH-CYBMUJFWSA-N 0 3 293.367 2.129 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1CCO ZINC000279236741 194347092 /nfs/dbraw/zinc/34/70/92/194347092.db2.gz JQFSLBYPRGOGGX-FZMZJTMJSA-N 0 3 294.351 2.244 20 5 CEBDHN CCC[C@H](C)[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000580718372 322338817 /nfs/dbraw/zinc/33/88/17/322338817.db2.gz UYKIFYMWLWOXOL-AAEUAGOBSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCCOC1)CC2 ZINC000408105001 285142692 /nfs/dbraw/zinc/14/26/92/285142692.db2.gz GSKIGUSEWNPMQK-GFCCVEGCSA-N 0 3 276.336 2.380 20 5 CEBDHN Cc1cc(N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000289216521 197266214 /nfs/dbraw/zinc/26/62/14/197266214.db2.gz WNNVQTPPCAJGAL-CQSZACIVSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1=CCCOC1 ZINC000288572965 197116112 /nfs/dbraw/zinc/11/61/12/197116112.db2.gz ZVNBDCHNQDCIBR-UHFFFAOYSA-N 0 3 262.309 2.340 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2CCO)cs1 ZINC000189958673 130043956 /nfs/dbraw/zinc/04/39/56/130043956.db2.gz FQYAHBPBEPPGIB-GHMZBOCLSA-N 0 3 270.354 2.297 20 5 CEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000227069861 130834895 /nfs/dbraw/zinc/83/48/95/130834895.db2.gz FOSKLOPUSMGQPL-MGPQQGTHSA-N 0 3 276.336 2.498 20 5 CEBDHN CON1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000421204706 394493508 /nfs/dbraw/zinc/49/35/08/394493508.db2.gz FZANMUABULOZDI-LLVKDONJSA-N 0 3 279.340 2.271 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421364416 394511334 /nfs/dbraw/zinc/51/13/34/394511334.db2.gz RZCGPXROGKXLFR-RISCZKNCSA-N 0 3 278.352 2.354 20 5 CEBDHN CCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413295683 394520259 /nfs/dbraw/zinc/52/02/59/394520259.db2.gz PGYWMOLVHGDRGA-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331263672 394629430 /nfs/dbraw/zinc/62/94/30/394629430.db2.gz FYQHLAVFRMHNOU-RISCZKNCSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1cc(N2CCC[C@@H]3CN(C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000269079296 394711739 /nfs/dbraw/zinc/71/17/39/394711739.db2.gz DLGMQKTUCRVOQO-OLZOCXBDSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1cc(N2C[C@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338788441 394929040 /nfs/dbraw/zinc/92/90/40/394929040.db2.gz TUFLFXVXKPABHK-RYUDHWBXSA-N 0 3 263.341 2.432 20 5 CEBDHN C[C@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618792 395236637 /nfs/dbraw/zinc/23/66/37/395236637.db2.gz JBTJOKSAFJFMPN-WCQYABFASA-N 0 3 264.325 2.045 20 5 CEBDHN COc1cc(CN[C@@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000433143583 395202961 /nfs/dbraw/zinc/20/29/61/395202961.db2.gz IEFXWIIBIDRWJC-BXKDBHETSA-N 0 3 298.314 2.257 20 5 CEBDHN COc1cc(CN[C@H]2CCOC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000433143690 395203239 /nfs/dbraw/zinc/20/32/39/395203239.db2.gz IEFXWIIBIDRWJC-CABZTGNLSA-N 0 3 298.314 2.257 20 5 CEBDHN Cc1cnc(N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292863655 395208236 /nfs/dbraw/zinc/20/82/36/395208236.db2.gz SKFSZQDVGVDEAW-HNNXBMFYSA-N 0 3 290.367 2.220 20 5 CEBDHN CC1CCN(CCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000195054982 395457943 /nfs/dbraw/zinc/45/79/43/395457943.db2.gz YSVYSNJOUJBEHD-UHFFFAOYSA-N 0 3 278.356 2.401 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451262255 395601036 /nfs/dbraw/zinc/60/10/36/395601036.db2.gz XCHUFIXYGRUEGN-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN CCC[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569259228 395575892 /nfs/dbraw/zinc/57/58/92/395575892.db2.gz WRSJWSWFBWKROD-GWCFXTLKSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1ncc2c(n1)CC[C@H](NCc1ccccc1[N+](=O)[O-])C2 ZINC000360253790 155253756 /nfs/dbraw/zinc/25/37/56/155253756.db2.gz KKECNJRSTWBFBZ-AWEZNQCLSA-N 0 3 298.346 2.340 20 5 CEBDHN CO[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829873 153351694 /nfs/dbraw/zinc/35/16/94/153351694.db2.gz KDOYXAHLIVMFCR-OLZOCXBDSA-N 0 3 264.325 2.498 20 5 CEBDHN C[C@H]1CC[C@@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834116 156245346 /nfs/dbraw/zinc/24/53/46/156245346.db2.gz VWUKHQXLVBUNNS-GXTWGEPZSA-N 0 3 278.356 2.303 20 5 CEBDHN C[C@H](NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127088 171012347 /nfs/dbraw/zinc/01/23/47/171012347.db2.gz KKFFQKPNLBAGSB-LBPRGKRZSA-N 0 3 263.341 2.341 20 5 CEBDHN CN(CCc1ccnn1C)CCc1ccccc1[N+](=O)[O-] ZINC000285289481 196242058 /nfs/dbraw/zinc/24/20/58/196242058.db2.gz KFQYVCMMSGLAJK-UHFFFAOYSA-N 0 3 288.351 2.045 20 5 CEBDHN CC1CCN(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000040444316 174264016 /nfs/dbraw/zinc/26/40/16/174264016.db2.gz ICGJKXNMNIEUEP-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000566858592 299027411 /nfs/dbraw/zinc/02/74/11/299027411.db2.gz RUEHKVRERNTZKD-BXUZGUMPSA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777404 260845932 /nfs/dbraw/zinc/84/59/32/260845932.db2.gz QIXMGEJRCWRXPD-DGCLKSJQSA-N 0 3 293.367 2.030 20 5 CEBDHN C[C@@H](NCCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395875284 270348347 /nfs/dbraw/zinc/34/83/47/270348347.db2.gz MCJJIXYPMJKVKM-LLVKDONJSA-N 0 3 264.325 2.408 20 5 CEBDHN Cc1c(CN2C[C@H](O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000399253701 270368828 /nfs/dbraw/zinc/36/88/28/270368828.db2.gz NRCBFWIMNBPAST-ZWNOBZJWSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1c(CN2CC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000425553466 271168034 /nfs/dbraw/zinc/16/80/34/271168034.db2.gz UNTISXFMHZKXPI-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](CO)CC(F)F ZINC000428641604 271284794 /nfs/dbraw/zinc/28/47/94/271284794.db2.gz MNTJQOHHRPFSHK-JOAKQRRISA-N 0 3 286.278 2.214 20 5 CEBDHN COc1cccc(N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000372189094 274147843 /nfs/dbraw/zinc/14/78/43/274147843.db2.gz VSUXYUPOXCXAEQ-AAEUAGOBSA-N 0 3 291.351 2.134 20 5 CEBDHN C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413142958 274333522 /nfs/dbraw/zinc/33/35/22/274333522.db2.gz WAQBOJMZVGMJJN-LLVKDONJSA-N 0 3 286.335 2.283 20 5 CEBDHN CN1CC[C@@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292459312 277160853 /nfs/dbraw/zinc/16/08/53/277160853.db2.gz ZWDQAWAXVSQMTM-CQSZACIVSA-N 0 3 297.305 2.405 20 5 CEBDHN CSCC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303300 277511957 /nfs/dbraw/zinc/51/19/57/277511957.db2.gz QMCCVIUGKUHZOS-CMPLNLGQSA-N 0 3 284.381 2.359 20 5 CEBDHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306373 278275515 /nfs/dbraw/zinc/27/55/15/278275515.db2.gz IZMKUGBVANWGCM-OPQQBVKSSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1cnc(N2CC[C@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286325670 281610008 /nfs/dbraw/zinc/61/00/08/281610008.db2.gz HOAFFEAPOHTPAU-STQMWFEESA-N 0 3 290.367 2.361 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCCCO ZINC000471807486 290285638 /nfs/dbraw/zinc/28/56/38/290285638.db2.gz CEAHZWRHDUDYCH-VURMDHGXSA-N 0 3 264.325 2.312 20 5 CEBDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c([N+](=O)[O-])ncn1C ZINC000408310340 297313878 /nfs/dbraw/zinc/31/38/78/297313878.db2.gz RKZNIFKJGNMHQN-GRYCIOLGSA-N 0 3 278.356 2.481 20 5 CEBDHN CC(C)C(=O)NCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159980687 297431688 /nfs/dbraw/zinc/43/16/88/297431688.db2.gz NTUTUWADELVUKT-LBPRGKRZSA-N 0 3 293.367 2.408 20 5 CEBDHN CC(C)(C)OC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162543197 297452597 /nfs/dbraw/zinc/45/25/97/297452597.db2.gz WVGUHNOQHIYNJA-UHFFFAOYSA-N 0 3 296.371 2.071 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538268375 298226100 /nfs/dbraw/zinc/22/61/00/298226100.db2.gz HAGXLYXSHGDCKQ-NSHDSACASA-N 0 3 293.367 2.326 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(C2CC2)CC1 ZINC000541595287 298281056 /nfs/dbraw/zinc/28/10/56/298281056.db2.gz SFVCRNTZBLFKKV-UHFFFAOYSA-N 0 3 289.335 2.374 20 5 CEBDHN Cc1cnc(N2CCC[C@@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269107882 302349728 /nfs/dbraw/zinc/34/97/28/302349728.db2.gz VIUARJOKVXUWGO-OLZOCXBDSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1cnc(N2CCN(C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000294916842 302350560 /nfs/dbraw/zinc/35/05/60/302350560.db2.gz JNMNHOMWWXFGJE-LBPRGKRZSA-N 0 3 290.367 2.219 20 5 CEBDHN CCC[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569259229 313990052 /nfs/dbraw/zinc/99/00/52/313990052.db2.gz WRSJWSWFBWKROD-GXFFZTMASA-N 0 3 264.325 2.333 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000576111790 314243374 /nfs/dbraw/zinc/24/33/74/314243374.db2.gz LBPMTMCKCIESJR-SMDDNHRTSA-N 0 3 266.341 2.482 20 5 CEBDHN COCC[C@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699068 314507278 /nfs/dbraw/zinc/50/72/78/314507278.db2.gz IBVSITVJIMECPF-WFASDCNBSA-N 0 3 296.367 2.341 20 5 CEBDHN O=[N+]([O-])c1ccc2c(ccnc2N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000584401133 329456352 /nfs/dbraw/zinc/45/63/52/329456352.db2.gz FJGXUSIDSKVZTN-BETUJISGSA-N 0 3 298.346 2.474 20 5 CEBDHN CC[C@H](O)[C@H](CC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000313192827 536009050 /nfs/dbraw/zinc/00/90/50/536009050.db2.gz OWFNAMVECJSSBW-AAEUAGOBSA-N 0 3 282.340 2.243 20 5 CEBDHN C[C@H](N[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746048142 575147431 /nfs/dbraw/zinc/14/74/31/575147431.db2.gz WOJGZJRYJJAEBJ-TVQRCGJNSA-N 0 3 250.298 2.016 20 5 CEBDHN C[C@H](N[C@H](CO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746047937 575147508 /nfs/dbraw/zinc/14/75/08/575147508.db2.gz UHUFRZDVGDFWCP-JOYOIKCWSA-N 0 3 250.298 2.016 20 5 CEBDHN CCc1cc(C(=O)OCC(C)[N+](=O)[O-])oc1CC ZINC000813101654 623017930 /nfs/dbraw/zinc/01/79/30/623017930.db2.gz GGPSLEABXBLQHF-QMMMGPOBSA-N 0 3 255.270 2.226 20 5 CEBDHN CC(COC(=O)[C@@H]1COc2ccc(Cl)cc2C1)[N+](=O)[O-] ZINC000813115623 623086466 /nfs/dbraw/zinc/08/64/66/623086466.db2.gz WRDFLDSMKPYMNS-WPRPVWTQSA-N 0 3 299.710 2.100 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000084726687 623269171 /nfs/dbraw/zinc/26/91/71/623269171.db2.gz DWSUMANUWZNOOG-CHWSQXEVSA-N 0 3 291.351 2.178 20 5 CEBDHN CO[C@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050370385 623402367 /nfs/dbraw/zinc/40/23/67/623402367.db2.gz YFFLINBGNHXNCC-YPMHNXCESA-N 0 3 250.298 2.252 20 5 CEBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CN(C)C1 ZINC000895361953 630143162 /nfs/dbraw/zinc/14/31/62/630143162.db2.gz HZGNOJRVPRNJLG-UHFFFAOYSA-N 0 3 283.759 2.242 20 5 CEBDHN COc1c(O)ccc(CNCCc2ccoc2)c1[N+](=O)[O-] ZINC000895375003 630147759 /nfs/dbraw/zinc/14/77/59/630147759.db2.gz YXZSWRVSSWZXLS-UHFFFAOYSA-N 0 3 292.291 2.234 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CCc2ccoc2)c1[N+](=O)[O-] ZINC000895375003 630147762 /nfs/dbraw/zinc/14/77/62/630147762.db2.gz YXZSWRVSSWZXLS-UHFFFAOYSA-N 0 3 292.291 2.234 20 5 CEBDHN COc1cc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737759 630327648 /nfs/dbraw/zinc/32/76/48/630327648.db2.gz YHZVTOUWEPZJDJ-UWVGGRQHSA-N 0 3 295.339 2.117 20 5 CEBDHN CN1CC[C@H]1CNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000895769065 630338088 /nfs/dbraw/zinc/33/80/88/630338088.db2.gz MOXBNNSEKPCQLN-NSHDSACASA-N 0 3 272.308 2.259 20 5 CEBDHN CC(COC(=O)c1cc2ccccc2n1C)[N+](=O)[O-] ZINC000813103647 632622656 /nfs/dbraw/zinc/62/26/56/632622656.db2.gz DESYCYGNNRFZND-SECBINFHSA-N 0 3 262.265 2.000 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000813104222 632622690 /nfs/dbraw/zinc/62/26/90/632622690.db2.gz YLKJOAPTLDNKRQ-PCYYEKQGSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(COC(=O)c1csc(Br)c1)[N+](=O)[O-] ZINC000813105137 632623198 /nfs/dbraw/zinc/62/31/98/632623198.db2.gz WCFQTTUPFXZRKO-RXMQYKEDSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(COC(=O)CCCOCc1ccccc1)[N+](=O)[O-] ZINC000813108815 632625310 /nfs/dbraw/zinc/62/53/10/632625310.db2.gz AVFBAAAQCMYKHI-GFCCVEGCSA-N 0 3 281.308 2.192 20 5 CEBDHN CC(COC(=O)c1cccn1Cc1ccccc1)[N+](=O)[O-] ZINC000813108136 632625725 /nfs/dbraw/zinc/62/57/25/632625725.db2.gz AZIURYGQXOMAGE-LBPRGKRZSA-N 0 3 288.303 2.358 20 5 CEBDHN CC(COC(=O)c1ccc2ncccc2c1)[N+](=O)[O-] ZINC000813108056 632625901 /nfs/dbraw/zinc/62/59/01/632625901.db2.gz UPCXESMOQRKXEW-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN Cc1cc(OCC(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813109687 632626381 /nfs/dbraw/zinc/62/63/81/632626381.db2.gz NPHIWMCWPOBKDP-SECBINFHSA-N 0 3 287.699 2.236 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[N+](=O)[O-] ZINC000813109909 632626690 /nfs/dbraw/zinc/62/66/90/632626690.db2.gz XLCJMYZUOUKFEB-FKTZTGRPSA-N 0 3 285.246 2.277 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813109649 632626728 /nfs/dbraw/zinc/62/67/28/632626728.db2.gz NMIHTHLMVFVYCF-IUCAKERBSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)C(C)(C)CO2)[N+](=O)[O-] ZINC000813109936 632626776 /nfs/dbraw/zinc/62/67/76/632626776.db2.gz XQASLNNYLLNXLT-VIFPVBQESA-N 0 3 279.292 2.179 20 5 CEBDHN CCCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813109608 632626854 /nfs/dbraw/zinc/62/68/54/632626854.db2.gz MZNLFJWWSALQKX-SSDOTTSWSA-N 0 3 272.326 2.226 20 5 CEBDHN CC(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111987 632627827 /nfs/dbraw/zinc/62/78/27/632627827.db2.gz MDXLFZQHKYKXIH-ZCFIWIBFSA-N 0 3 288.643 2.070 20 5 CEBDHN CC[C@H](Oc1ccccc1F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112722 632628140 /nfs/dbraw/zinc/62/81/40/632628140.db2.gz JVHRPLHQGMXSST-ONGXEEELSA-N 0 3 285.271 2.192 20 5 CEBDHN Cc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813114430 632628504 /nfs/dbraw/zinc/62/85/04/632628504.db2.gz RRHDMNYEVAXELQ-GFCCVEGCSA-N 0 3 293.319 2.475 20 5 CEBDHN CC(C)c1scnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115211 632629187 /nfs/dbraw/zinc/62/91/87/632629187.db2.gz MZDLEYPROJKDOY-SSDOTTSWSA-N 0 3 258.299 2.089 20 5 CEBDHN CC(C)(C)c1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000899870980 633064238 /nfs/dbraw/zinc/06/42/38/633064238.db2.gz POZDOBLYYZNAJC-UHFFFAOYSA-N 0 3 250.342 2.393 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2COC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903223602 635023591 /nfs/dbraw/zinc/02/35/91/635023591.db2.gz HQVZCWZKKUYZMB-ISTVAULSSA-N 0 3 280.324 2.289 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1COC[C@H]1C ZINC000903393774 635090113 /nfs/dbraw/zinc/09/01/13/635090113.db2.gz STQYFPZVBHOWMX-GBIKHYSHSA-N 0 3 280.324 2.289 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2c(F)cccc2F)CCC1 ZINC000905287074 636209844 /nfs/dbraw/zinc/20/98/44/636209844.db2.gz WWFMSAOHBSYFIZ-UHFFFAOYSA-N 0 3 270.279 2.253 20 5 CEBDHN COC(=O)[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876594114 650350996 /nfs/dbraw/zinc/35/09/96/650350996.db2.gz LAYMJSLOJOSXQS-GFCCVEGCSA-N 0 3 292.335 2.207 20 5 CEBDHN C[C@@H](NC[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210378 639746471 /nfs/dbraw/zinc/74/64/71/639746471.db2.gz BJENWCKURXPKER-MFKMUULPSA-N 0 3 280.324 2.397 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CCF)cc1Cl ZINC000846098985 641180228 /nfs/dbraw/zinc/18/02/28/641180228.db2.gz WEJZZAZEFSATEL-VIFPVBQESA-N 0 3 276.695 2.058 20 5 CEBDHN CCC(C)(C)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000848761358 642132795 /nfs/dbraw/zinc/13/27/95/642132795.db2.gz RXPZCZDVJSVRTI-UHFFFAOYSA-N 0 3 292.383 2.488 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](O)C(C)(C)C1 ZINC000877487679 650746744 /nfs/dbraw/zinc/74/67/44/650746744.db2.gz ZEEMJSWLYHJJAL-CQSZACIVSA-N 0 3 278.352 2.414 20 5 CEBDHN CC(COC(=O)CC[C@@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000851037201 642889802 /nfs/dbraw/zinc/88/98/02/642889802.db2.gz SGPYFRDITDZEDN-NKWVEPMBSA-N 0 3 270.112 2.169 20 5 CEBDHN Cc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000851036560 642889917 /nfs/dbraw/zinc/88/99/17/642889917.db2.gz KJBBYGRHJOGONW-WCFLWFBJSA-N 0 3 263.293 2.307 20 5 CEBDHN CN(CCOC(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000852017532 643267318 /nfs/dbraw/zinc/26/73/18/643267318.db2.gz AUANYNTUZHDQSP-UHFFFAOYSA-N 0 3 274.267 2.308 20 5 CEBDHN CO[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000877827568 650923682 /nfs/dbraw/zinc/92/36/82/650923682.db2.gz CBILISHKIUSSAI-JMSVASOKSA-N 0 3 294.351 2.297 20 5 CEBDHN CC[S@@](=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943848 645824170 /nfs/dbraw/zinc/82/41/70/645824170.db2.gz NEXOKFXITKSDDD-JEOXALJRSA-N 0 3 284.381 2.322 20 5 CEBDHN Cc1ccc(CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000860777596 645902506 /nfs/dbraw/zinc/90/25/06/645902506.db2.gz QWACNQCCBQIRRP-VXGBXAGGSA-N 0 3 281.308 2.109 20 5 CEBDHN CC(COC(=O)C1(C)CCC(F)(F)CC1)[N+](=O)[O-] ZINC000860777821 645902535 /nfs/dbraw/zinc/90/25/35/645902535.db2.gz WSGBWNQQARIXIR-MRVPVSSYSA-N 0 3 265.256 2.410 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cnc3ccccc3c2)c1 ZINC000769422979 646263316 /nfs/dbraw/zinc/26/33/16/646263316.db2.gz IIPVEDBUHWYDSA-UHFFFAOYSA-N 0 3 297.318 2.129 20 5 CEBDHN Cc1cccc(CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870377381 648790022 /nfs/dbraw/zinc/79/00/22/648790022.db2.gz QJECONLQLDPFAP-VXGBXAGGSA-N 0 3 281.308 2.109 20 5 CEBDHN C[C@@H](NC[C@@H](C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872040101 649251081 /nfs/dbraw/zinc/25/10/81/649251081.db2.gz JMIHNNBGHOSRQT-VHSXEESVSA-N 0 3 270.304 2.403 20 5 CEBDHN CN(CC1CN(C)C1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884556656 652912773 /nfs/dbraw/zinc/91/27/73/652912773.db2.gz WCMFULLTEYQHCX-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCOCC1 ZINC001173229426 815630899 /nfs/dbraw/zinc/63/08/99/815630899.db2.gz UUJXQYBEWHVFEU-LBPRGKRZSA-N 0 3 264.325 2.248 20 5 CEBDHN Nc1cc(NC[C@@H]2CCCCN2C2CC2)ncc1[N+](=O)[O-] ZINC001120927644 807355155 /nfs/dbraw/zinc/35/51/55/807355155.db2.gz ZGANJKOBLOPZEX-NSHDSACASA-N 0 3 291.355 2.001 20 5 CEBDHN CC(C)(C)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001171792870 815237651 /nfs/dbraw/zinc/23/76/51/815237651.db2.gz MQDJJOXZUWTZGT-UHFFFAOYSA-N 0 3 299.396 2.298 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2c(F)cccc2F)C1 ZINC001168960016 811313436 /nfs/dbraw/zinc/31/34/36/811313436.db2.gz YZHYFTSMIRKHLW-VHSXEESVSA-N 0 3 270.279 2.500 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncc(Cl)s2)C1 ZINC001168997045 811325593 /nfs/dbraw/zinc/32/55/93/811325593.db2.gz XDUPYMAMBFJQCB-JGVFFNPUSA-N 0 3 275.761 2.332 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037026 811345959 /nfs/dbraw/zinc/34/59/59/811345959.db2.gz HWAJQVUCTQSSOM-UWVGGRQHSA-N 0 3 292.351 2.258 20 5 CEBDHN Cc1cc(NC(=O)N[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001123360583 815509119 /nfs/dbraw/zinc/50/91/19/815509119.db2.gz OQDFEOXLCFMXJH-LLVKDONJSA-N 0 3 292.339 2.119 20 5 CEBDHN COc1ccc(C[C@@H](C)NC(C)(C)C(C)=O)c([N+](=O)[O-])c1 ZINC001170298600 812376995 /nfs/dbraw/zinc/37/69/95/812376995.db2.gz MYEWGEHJSZHCLS-SNVBAGLBSA-N 0 3 294.351 2.492 20 5 CEBDHN COC[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000714459516 814907039 /nfs/dbraw/zinc/90/70/39/814907039.db2.gz NOGCGXJPGUMEDQ-WAAGHKOSSA-N 0 3 256.327 2.171 20 5 CEBDHN CC/C=C(/C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124345615 815611672 /nfs/dbraw/zinc/61/16/72/815611672.db2.gz YMOMUHNRLVKMGK-XGICHPGQSA-N 0 3 291.351 2.157 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnn1C ZINC000449079682 282092016 /nfs/dbraw/zinc/09/20/16/282092016.db2.gz ZVHJHGVLTTYIBE-LLVKDONJSA-N 0 3 274.324 2.049 20 5 CEBDHN Cc1c(CN(C)C[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000079769433 343990167 /nfs/dbraw/zinc/99/01/67/343990167.db2.gz AAOFJNZSVVKOBV-AWEZNQCLSA-N 0 3 264.325 2.106 20 5 CEBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCOC1 ZINC000079900732 343993446 /nfs/dbraw/zinc/99/34/46/343993446.db2.gz FIOVIRMROLAXBK-LBPRGKRZSA-N 0 3 294.351 2.462 20 5 CEBDHN CN(C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000268169057 282119418 /nfs/dbraw/zinc/11/94/18/282119418.db2.gz KTODXIYWVVIZSF-VIFPVBQESA-N 0 3 284.747 2.174 20 5 CEBDHN C[C@@H](NC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737840 361925336 /nfs/dbraw/zinc/92/53/36/361925336.db2.gz HLSLJXQTVLHJRU-GHMZBOCLSA-N 0 3 250.298 2.282 20 5 CEBDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334354 187233960 /nfs/dbraw/zinc/23/39/60/187233960.db2.gz NUKBKQBXDRKPLK-AAEUAGOBSA-N 0 3 291.351 2.256 20 5 CEBDHN CCN(CC)CCSc1ncccc1[N+](=O)[O-] ZINC000005585267 343354854 /nfs/dbraw/zinc/35/48/54/343354854.db2.gz LKOHYAHBOMHCBA-UHFFFAOYSA-N 0 3 255.343 2.424 20 5 CEBDHN CC(C)[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030149898 343403613 /nfs/dbraw/zinc/40/36/13/343403613.db2.gz QCVNNANHWIMSRG-JTQLQIEISA-N 0 3 279.340 2.170 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2ccccn2)cc1 ZINC000038079380 343433560 /nfs/dbraw/zinc/43/35/60/343433560.db2.gz VUFRYMLVGXGLGL-UHFFFAOYSA-N 0 3 273.292 2.158 20 5 CEBDHN C[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000149484627 290055919 /nfs/dbraw/zinc/05/59/19/290055919.db2.gz KYRCECLEBXAOLL-UMNHJUIQSA-N 0 3 250.298 2.423 20 5 CEBDHN CN1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000449524555 282272400 /nfs/dbraw/zinc/27/24/00/282272400.db2.gz RCPVGQFNIJEPTL-RISCZKNCSA-N 0 3 295.770 2.384 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057704595 343635627 /nfs/dbraw/zinc/63/56/27/343635627.db2.gz HCTMENNPVXNUGY-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000602027166 346964358 /nfs/dbraw/zinc/96/43/58/346964358.db2.gz DYQSTPUNFSSSFO-UKRRQHHQSA-N 0 3 294.351 2.044 20 5 CEBDHN Cc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068342431 343762329 /nfs/dbraw/zinc/76/23/29/343762329.db2.gz IBJYEAITOQYMFZ-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1c(CN[C@@H](C)Cn2cccn2)cccc1[N+](=O)[O-] ZINC000049075939 362333540 /nfs/dbraw/zinc/33/35/40/362333540.db2.gz ITCBREOJCYQWMW-NSHDSACASA-N 0 3 274.324 2.278 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000090910074 344146771 /nfs/dbraw/zinc/14/67/71/344146771.db2.gz XGQLBOFCJBIBAT-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN CCc1nn(C)c(NC[C@@H]2CCCCN2CC)c1[N+](=O)[O-] ZINC000092829874 344205111 /nfs/dbraw/zinc/20/51/11/344205111.db2.gz QTDCQMXQXWWTMG-NSHDSACASA-N 0 3 295.387 2.177 20 5 CEBDHN CC(C)(C)OCCNCc1ccc([N+](=O)[O-])cc1 ZINC000122201195 344305460 /nfs/dbraw/zinc/30/54/60/344305460.db2.gz XMZBAPULFQRSRS-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN CCC(CC)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000053070785 362481396 /nfs/dbraw/zinc/48/13/96/362481396.db2.gz ZBRQTQSHYANLAI-UHFFFAOYSA-N 0 3 282.340 2.244 20 5 CEBDHN C[C@H](CO)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602520497 347065111 /nfs/dbraw/zinc/06/51/11/347065111.db2.gz GUFJBOKIFYACHE-QMMMGPOBSA-N 0 3 292.257 2.332 20 5 CEBDHN Cc1c(Cn2cc([C@H](N)C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000313466011 344742171 /nfs/dbraw/zinc/74/21/71/344742171.db2.gz XNEPNELPOQLMOC-CQSZACIVSA-N 0 3 289.339 2.199 20 5 CEBDHN CN1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000411153420 530054117 /nfs/dbraw/zinc/05/41/17/530054117.db2.gz JCSQTCYRWJAREB-UHFFFAOYSA-N 0 3 283.759 2.386 20 5 CEBDHN Cc1ccc([C@H](C)NCC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000404220526 344878631 /nfs/dbraw/zinc/87/86/31/344878631.db2.gz XFERUQJARBZQTD-SWLSCSKDSA-N 0 3 294.351 2.095 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CCCO)C2)cc1 ZINC000449793513 282370503 /nfs/dbraw/zinc/37/05/03/282370503.db2.gz XDNBDZMBHNWBCQ-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN CN1C[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010500 345109949 /nfs/dbraw/zinc/10/99/49/345109949.db2.gz MPWTWWCMUTXPEB-BXUZGUMPSA-N 0 3 295.770 2.384 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591673127 345273246 /nfs/dbraw/zinc/27/32/46/345273246.db2.gz OOUWOWHMEGJGQW-MFKMUULPSA-N 0 3 291.351 2.078 20 5 CEBDHN C[C@@H](CCO)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694997 345523281 /nfs/dbraw/zinc/52/32/81/345523281.db2.gz VRUMMEZCQWTWCN-PZBABLGHSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)CC1CC1 ZINC000594499072 345639240 /nfs/dbraw/zinc/63/92/40/345639240.db2.gz AGKUYAJLEBGTCH-BXUZGUMPSA-N 0 3 276.336 2.333 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)nc1 ZINC000594599257 345656341 /nfs/dbraw/zinc/65/63/41/345656341.db2.gz IPVKQVHSAXDYDL-CHWSQXEVSA-N 0 3 276.340 2.419 20 5 CEBDHN O=[N+]([O-])c1ncccc1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594599996 345656983 /nfs/dbraw/zinc/65/69/83/345656983.db2.gz KYECQOIWIUEUCO-DGCLKSJQSA-N 0 3 276.340 2.419 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)CC(C)C ZINC000594973453 345720296 /nfs/dbraw/zinc/72/02/96/345720296.db2.gz BWENPJMILKUXQV-CYBMUJFWSA-N 0 3 266.341 2.400 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1C[C@H](O)C1 ZINC000595000893 345724193 /nfs/dbraw/zinc/72/41/93/345724193.db2.gz MWHAZHKHZQNIGQ-VGRYAAEGSA-N 0 3 262.309 2.111 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@](C)(O)C1CC1 ZINC000595016078 345727486 /nfs/dbraw/zinc/72/74/86/345727486.db2.gz GZSZTGQNOZDNHB-BONVTDFDSA-N 0 3 294.351 2.415 20 5 CEBDHN CC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021454 345729143 /nfs/dbraw/zinc/72/91/43/345729143.db2.gz XVQKDIZLIZOVIY-HZMBPMFUSA-N 0 3 282.340 2.415 20 5 CEBDHN Cc1noc(CN2CCC[C@H]2[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560339 345813572 /nfs/dbraw/zinc/81/35/72/345813572.db2.gz ARIALVDNRCCXCH-RYUDHWBXSA-N 0 3 295.339 2.282 20 5 CEBDHN Cc1noc(CN2CCC[C@@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595423210 345778284 /nfs/dbraw/zinc/77/82/84/345778284.db2.gz KFGRMVDGHXUPMN-GFCCVEGCSA-N 0 3 295.339 2.282 20 5 CEBDHN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595435243 345782271 /nfs/dbraw/zinc/78/22/71/345782271.db2.gz DBWYZZIWTIOGGQ-KOLCDFICSA-N 0 3 268.288 2.249 20 5 CEBDHN CC[C@H](C)N(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595599081 345822036 /nfs/dbraw/zinc/82/20/36/345822036.db2.gz KWUOEHCSXVIBNG-JTQLQIEISA-N 0 3 279.340 2.314 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000595826862 345887288 /nfs/dbraw/zinc/88/72/88/345887288.db2.gz KKLVPCODTBTBFO-CHWSQXEVSA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@@]12COC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756922 345868393 /nfs/dbraw/zinc/86/83/93/345868393.db2.gz HRINNXWCFPSHQD-TZMCWYRMSA-N 0 3 262.309 2.063 20 5 CEBDHN Cc1cc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])s1 ZINC000596063716 345931088 /nfs/dbraw/zinc/93/10/88/345931088.db2.gz WPIMQDMKRDYVIG-UHFFFAOYSA-N 0 3 298.412 2.014 20 5 CEBDHN CC(C)(C)[N@@H+]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596097548 345939268 /nfs/dbraw/zinc/93/92/68/345939268.db2.gz ZBDKBLHDHURLLR-UHFFFAOYSA-N 0 3 294.355 2.006 20 5 CEBDHN CC(C)(C)[N@H+]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596097548 345939271 /nfs/dbraw/zinc/93/92/71/345939271.db2.gz ZBDKBLHDHURLLR-UHFFFAOYSA-N 0 3 294.355 2.006 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596110963 345942094 /nfs/dbraw/zinc/94/20/94/345942094.db2.gz SVKLECKNFIAPJJ-LLVKDONJSA-N 0 3 299.396 2.487 20 5 CEBDHN CN1CC[C@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596241944 345978579 /nfs/dbraw/zinc/97/85/79/345978579.db2.gz KWBDQWBVMFGMAG-ZDUSSCGKSA-N 0 3 296.758 2.175 20 5 CEBDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596269175 345986410 /nfs/dbraw/zinc/98/64/10/345986410.db2.gz OOZOJEXPOYZAME-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000596309283 345996132 /nfs/dbraw/zinc/99/61/32/345996132.db2.gz XNAVMYYZGPKXKV-SNVBAGLBSA-N 0 3 264.329 2.275 20 5 CEBDHN CC(C)[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000596501830 346040214 /nfs/dbraw/zinc/04/02/14/346040214.db2.gz QGLJAAAYTRKEGL-CYBMUJFWSA-N 0 3 292.339 2.057 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000597256707 346163298 /nfs/dbraw/zinc/16/32/98/346163298.db2.gz XJSLTRHZVLDCQK-XQRVVYSFSA-N 0 3 262.309 2.065 20 5 CEBDHN Nc1ccnc2c1CN(c1sccc1[N+](=O)[O-])CC2 ZINC000598941475 346435231 /nfs/dbraw/zinc/43/52/31/346435231.db2.gz FBJIGZCFACOSDE-UHFFFAOYSA-N 0 3 276.321 2.196 20 5 CEBDHN CC(C)CC[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000598991190 346443365 /nfs/dbraw/zinc/44/33/65/346443365.db2.gz LYKPTRBTKBEBOF-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602600197 347095071 /nfs/dbraw/zinc/09/50/71/347095071.db2.gz NJHMIRXNTGSIHF-RTXFEEFZSA-N 0 3 278.356 2.339 20 5 CEBDHN Cc1ccc(CNCC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147752 346768978 /nfs/dbraw/zinc/76/89/78/346768978.db2.gz XBIDKQWZSNZALX-LLVKDONJSA-N 0 3 274.267 2.009 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000601188065 346781578 /nfs/dbraw/zinc/78/15/78/346781578.db2.gz AYLZQDJVVNXDNJ-SNVBAGLBSA-N 0 3 282.319 2.049 20 5 CEBDHN CCS[C@@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602819006 347212826 /nfs/dbraw/zinc/21/28/26/347212826.db2.gz PKLCDQXXUGPENZ-NWDGAFQWSA-N 0 3 298.412 2.482 20 5 CEBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000602932519 347251514 /nfs/dbraw/zinc/25/15/14/347251514.db2.gz ZPZSCIGMCDWDQN-OCCSQVGLSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H]1CCCN(CCNc2cccnc2[N+](=O)[O-])C1 ZINC000603858027 347392193 /nfs/dbraw/zinc/39/21/93/347392193.db2.gz AEPOIWRZCMRHMK-NSHDSACASA-N 0 3 264.329 2.134 20 5 CEBDHN COCC[C@@H](COC)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832065 365897526 /nfs/dbraw/zinc/89/75/26/365897526.db2.gz LIPQAEOINFMCRE-AAEUAGOBSA-N 0 3 282.340 2.297 20 5 CEBDHN COc1ccc(CN(CCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000609317344 347634534 /nfs/dbraw/zinc/63/45/34/347634534.db2.gz VZTPQZNUSUTZOF-UHFFFAOYSA-N 0 3 296.367 2.444 20 5 CEBDHN CN(CCN1CCCC1)c1sccc1[N+](=O)[O-] ZINC000611412305 347775956 /nfs/dbraw/zinc/77/59/56/347775956.db2.gz NZQSLSAAYLZSBA-UHFFFAOYSA-N 0 3 255.343 2.188 20 5 CEBDHN CN(C)C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610929803 347723334 /nfs/dbraw/zinc/72/33/34/347723334.db2.gz QNKDURDPNYNLAU-SNVBAGLBSA-N 0 3 284.747 2.174 20 5 CEBDHN CC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013112 179379671 /nfs/dbraw/zinc/37/96/71/179379671.db2.gz WYNKBTBDGOSZEX-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)[C@@H](C)O ZINC000273396305 192137242 /nfs/dbraw/zinc/13/72/42/192137242.db2.gz KWKSDRINKRKKQJ-SNVBAGLBSA-N 0 3 252.314 2.152 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000339538159 215235447 /nfs/dbraw/zinc/23/54/47/215235447.db2.gz JLWZDYKMGIGAPI-GFCCVEGCSA-N 0 3 270.304 2.373 20 5 CEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339624165 215273473 /nfs/dbraw/zinc/27/34/73/215273473.db2.gz WYCBIUKTZBHVTO-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCOC1 ZINC000619531152 349194918 /nfs/dbraw/zinc/19/49/18/349194918.db2.gz ZVICHEMRFDMWMF-LBPRGKRZSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000090539805 180000121 /nfs/dbraw/zinc/00/01/21/180000121.db2.gz VEMGSAYGNASGNZ-VIFPVBQESA-N 0 3 266.326 2.204 20 5 CEBDHN CC[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551202 180002651 /nfs/dbraw/zinc/00/26/51/180002651.db2.gz XICIHHAMAOTMNK-HNNXBMFYSA-N 0 3 293.367 2.269 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774131 180038860 /nfs/dbraw/zinc/03/88/60/180038860.db2.gz XQKSTVAMQVAVBC-ZYHUDNBSSA-N 0 3 280.324 2.433 20 5 CEBDHN CC(C)C(=O)NCCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090880823 180053112 /nfs/dbraw/zinc/05/31/12/180053112.db2.gz CZPGZDWZDPMRNI-GFCCVEGCSA-N 0 3 293.367 2.408 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)C[C@@H](C)O ZINC000352209862 219363324 /nfs/dbraw/zinc/36/33/24/219363324.db2.gz DAAKCONTFHVLLC-SNVBAGLBSA-N 0 3 252.314 2.106 20 5 CEBDHN CCOCCN(CC)CCOc1ccccc1[N+](=O)[O-] ZINC000107679000 186184388 /nfs/dbraw/zinc/18/43/88/186184388.db2.gz ZEETYSAVTBCWKX-UHFFFAOYSA-N 0 3 282.340 2.332 20 5 CEBDHN Cc1sc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108334288 186212242 /nfs/dbraw/zinc/21/22/42/186212242.db2.gz NOPYFCOEOHCKLN-SNVBAGLBSA-N 0 3 297.380 2.036 20 5 CEBDHN CN(CC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109131036 186244285 /nfs/dbraw/zinc/24/42/85/186244285.db2.gz QNQJIDDTJHBYPT-CQSZACIVSA-N 0 3 289.335 2.042 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000110846090 186328362 /nfs/dbraw/zinc/32/83/62/186328362.db2.gz IDFFBKUOTIOGBT-CYBMUJFWSA-N 0 3 292.335 2.180 20 5 CEBDHN CC(C)CN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000337014914 365985222 /nfs/dbraw/zinc/98/52/22/365985222.db2.gz KIXQAGJILWLHHH-NSHDSACASA-N 0 3 298.412 2.396 20 5 CEBDHN CCC[C@H](N[C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018664 186345194 /nfs/dbraw/zinc/34/51/94/186345194.db2.gz URWVKBMRHJBSTL-JSGCOSHPSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122319017 187026358 /nfs/dbraw/zinc/02/63/58/187026358.db2.gz VIRKPLISKMVXNQ-WCQYABFASA-N 0 3 275.352 2.310 20 5 CEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000123443743 187092494 /nfs/dbraw/zinc/09/24/94/187092494.db2.gz UBBILADABXMWBH-NXEZZACHSA-N 0 3 297.380 2.211 20 5 CEBDHN Cc1cc(NC[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000073000359 363191157 /nfs/dbraw/zinc/19/11/57/363191157.db2.gz RDKYFZRYGQYACK-NSHDSACASA-N 0 3 264.329 2.052 20 5 CEBDHN COCC(C)(C)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000292135411 198177201 /nfs/dbraw/zinc/17/72/01/198177201.db2.gz LVBKHNYPMNOISX-UHFFFAOYSA-N 0 3 282.340 2.330 20 5 CEBDHN COC(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553189 283032357 /nfs/dbraw/zinc/03/23/57/283032357.db2.gz XUEZWOBYFSAOJZ-CYBMUJFWSA-N 0 3 292.335 2.337 20 5 CEBDHN Cc1cc(N2CCN(CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074726003 363376942 /nfs/dbraw/zinc/37/69/42/363376942.db2.gz CURRMMCMRVNVKE-UHFFFAOYSA-N 0 3 278.356 2.076 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795938 291079590 /nfs/dbraw/zinc/07/95/90/291079590.db2.gz RHNVHWUFJVZBMA-ZYHUDNBSSA-N 0 3 293.323 2.004 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@H](O)C1 ZINC000452069668 283176598 /nfs/dbraw/zinc/17/65/98/283176598.db2.gz QJJVSPVYBMPBLT-WOPDTQHZSA-N 0 3 264.325 2.359 20 5 CEBDHN C[S@@](=O)C1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577865534 366408664 /nfs/dbraw/zinc/40/86/64/366408664.db2.gz FAMHXAAAYHTZTK-MPBGBICISA-N 0 3 294.376 2.083 20 5 CEBDHN C[C@H](N[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306391 366424408 /nfs/dbraw/zinc/42/44/08/366424408.db2.gz IZMKUGBVANWGCM-OUJBWJOFSA-N 0 3 250.298 2.423 20 5 CEBDHN COc1ccc(CNC[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000230667162 540408477 /nfs/dbraw/zinc/40/84/77/540408477.db2.gz DNMPIYFUUWYAGX-WCQYABFASA-N 0 3 294.351 2.244 20 5 CEBDHN CC[C@H](COC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000079737632 363626470 /nfs/dbraw/zinc/62/64/70/363626470.db2.gz UIRADQDRPYASOF-GFCCVEGCSA-N 0 3 252.314 2.418 20 5 CEBDHN CC[C@H](COC)NCc1cc([N+](=O)[O-])ccc1OC ZINC000079743118 363626544 /nfs/dbraw/zinc/62/65/44/363626544.db2.gz CMFISACTGWEKGF-LLVKDONJSA-N 0 3 268.313 2.118 20 5 CEBDHN C[C@@H]1CCCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341577109 216018886 /nfs/dbraw/zinc/01/88/86/216018886.db2.gz BSZXMKYYOVCTIW-GFCCVEGCSA-N 0 3 279.340 2.021 20 5 CEBDHN COCC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000081713528 363737700 /nfs/dbraw/zinc/73/77/00/363737700.db2.gz YGCVKGXSIOFLBA-SNVBAGLBSA-N 0 3 268.313 2.118 20 5 CEBDHN COC[C@H](C)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179368144 189189754 /nfs/dbraw/zinc/18/97/54/189189754.db2.gz FISLKDOILWFMGV-NSHDSACASA-N 0 3 252.314 2.370 20 5 CEBDHN CCC[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237036947 370681945 /nfs/dbraw/zinc/68/19/45/370681945.db2.gz VYKGSZIZHPFMFV-LBPRGKRZSA-N 0 3 299.758 2.334 20 5 CEBDHN O=[N+]([O-])c1ccccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301698667 201147155 /nfs/dbraw/zinc/14/71/55/201147155.db2.gz CISKAQWOANHXMK-ZDUSSCGKSA-N 0 3 291.351 2.260 20 5 CEBDHN CN(C)[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000301974540 201282630 /nfs/dbraw/zinc/28/26/30/201282630.db2.gz AYEIQNSKSOIVGL-VIFPVBQESA-N 0 3 255.343 2.187 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](N2CCCC2)C1 ZINC000103481484 364659944 /nfs/dbraw/zinc/65/99/44/364659944.db2.gz ZASYTKYAVSCNJS-LBPRGKRZSA-N 0 3 293.342 2.404 20 5 CEBDHN Cc1cc(C(=O)N(C)CCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000103115642 364628010 /nfs/dbraw/zinc/62/80/10/364628010.db2.gz RBRCHMJIXWCUBS-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN COC[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112985468 364862854 /nfs/dbraw/zinc/86/28/54/364862854.db2.gz YPYQXAAIZAMKJR-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN CCn1nccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000119079380 365211981 /nfs/dbraw/zinc/21/19/81/365211981.db2.gz MYOQXXFVJATDBF-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN C[C@H](SCCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120229549 365392091 /nfs/dbraw/zinc/39/20/91/365392091.db2.gz HZOHHBOBCNAMRE-JTQLQIEISA-N 0 3 297.380 2.217 20 5 CEBDHN Cc1c(CN2CCCC[C@@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000120547877 365440850 /nfs/dbraw/zinc/44/08/50/365440850.db2.gz GGWRXEQLWXGBNW-CYBMUJFWSA-N 0 3 291.351 2.133 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000159751330 366944442 /nfs/dbraw/zinc/94/44/42/366944442.db2.gz IOVVWMFXELHFLP-JSGCOSHPSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@H](NCCc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000340938770 367100243 /nfs/dbraw/zinc/10/02/43/367100243.db2.gz KFWOZBDUMLMZGJ-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN Cc1c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343452733 367824620 /nfs/dbraw/zinc/82/46/20/367824620.db2.gz ORRGJICCQFNDQY-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1cc[nH]n1)C1CC1 ZINC000177954701 368285141 /nfs/dbraw/zinc/28/51/41/368285141.db2.gz JPDJLONMPZVIRK-CQSZACIVSA-N 0 3 286.335 2.429 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N(C)C)CCC1 ZINC000275971345 193177084 /nfs/dbraw/zinc/17/70/84/193177084.db2.gz LSXQEDSGNYXHDJ-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COC(C)(C)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000346515632 368700592 /nfs/dbraw/zinc/70/05/92/368700592.db2.gz BWWBHODDBUIYOH-UHFFFAOYSA-N 0 3 279.340 2.163 20 5 CEBDHN CSC1(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000348360913 369018063 /nfs/dbraw/zinc/01/80/63/369018063.db2.gz BKRGJRLEXPRQED-UHFFFAOYSA-N 0 3 292.364 2.456 20 5 CEBDHN Cc1c(CN(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000186791599 369044680 /nfs/dbraw/zinc/04/46/80/369044680.db2.gz UIXDXQBUVMKLAH-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN CC1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186898732 369064769 /nfs/dbraw/zinc/06/47/69/369064769.db2.gz NXRPOQRIENMGMH-UHFFFAOYSA-N 0 3 264.325 2.189 20 5 CEBDHN CCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000348554377 369087700 /nfs/dbraw/zinc/08/77/00/369087700.db2.gz YBBFOXVAILUWCX-CYBMUJFWSA-N 0 3 277.368 2.429 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@H](O)C(F)(F)F ZINC000349333776 369300370 /nfs/dbraw/zinc/30/03/70/369300370.db2.gz RKEFJGDSKDAUPV-NSHDSACASA-N 0 3 292.257 2.306 20 5 CEBDHN C/C=C\C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000349850601 369422781 /nfs/dbraw/zinc/42/27/81/369422781.db2.gz LWPZDMRCHHUOAV-ZZKXABKFSA-N 0 3 250.298 2.012 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000188958422 369435321 /nfs/dbraw/zinc/43/53/21/369435321.db2.gz AYAKWZPUDOOKSA-GQCTYLIASA-N 0 3 276.336 2.312 20 5 CEBDHN CC[C@]1(CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000189657366 369554539 /nfs/dbraw/zinc/55/45/39/369554539.db2.gz IZCONUXESURAJT-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)N(C)C ZINC000276448656 193335082 /nfs/dbraw/zinc/33/50/82/193335082.db2.gz TUDXGKMRPQDIQB-NSHDSACASA-N 0 3 294.355 2.283 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000192463819 369816728 /nfs/dbraw/zinc/81/67/28/369816728.db2.gz LUVCGCWYJSNYRU-ZJUUUORDSA-N 0 3 284.385 2.218 20 5 CEBDHN COCC[C@@H](COC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353129855 370031505 /nfs/dbraw/zinc/03/15/05/370031505.db2.gz TZRLPKVDXBJGQE-VSKVDJIOSA-N 0 3 294.351 2.249 20 5 CEBDHN C[C@H]1COCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000353034687 369993754 /nfs/dbraw/zinc/99/37/54/369993754.db2.gz AVYJUURFECNEOW-QWRGUYRKSA-N 0 3 282.315 2.496 20 5 CEBDHN CCN(CCNc1nccc(C)c1[N+](=O)[O-])C1CC1 ZINC000227116070 370361393 /nfs/dbraw/zinc/36/13/93/370361393.db2.gz VKJQBWHLDPALBS-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000228060542 370393812 /nfs/dbraw/zinc/39/38/12/370393812.db2.gz QLLZPXUGNJLWFB-YWPYICTPSA-N 0 3 294.351 2.094 20 5 CEBDHN C[C@H](NC[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000251589737 371407146 /nfs/dbraw/zinc/40/71/46/371407146.db2.gz XJYCTZPWSKYUTA-VHRBIJSZSA-N 0 3 264.325 2.406 20 5 CEBDHN Cc1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252544389 371455380 /nfs/dbraw/zinc/45/53/80/371455380.db2.gz IEEVRBFIAPPNEM-STQMWFEESA-N 0 3 291.351 2.178 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000361047417 371619860 /nfs/dbraw/zinc/61/98/60/371619860.db2.gz XPDNCQIZLCPEDQ-BXKDBHETSA-N 0 3 293.371 2.014 20 5 CEBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000344047182 217027962 /nfs/dbraw/zinc/02/79/62/217027962.db2.gz YRMPTPNCCWWLSH-GFCCVEGCSA-N 0 3 293.367 2.125 20 5 CEBDHN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000269098100 372340639 /nfs/dbraw/zinc/34/06/39/372340639.db2.gz NTCCYAFOYNLMSP-AWEZNQCLSA-N 0 3 293.367 2.139 20 5 CEBDHN CC[C@@H](N[C@@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099555 372341315 /nfs/dbraw/zinc/34/13/15/372341315.db2.gz TUHPNFTWPGFXLE-GXFFZTMASA-N 0 3 279.340 2.160 20 5 CEBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621831 372507695 /nfs/dbraw/zinc/50/76/95/372507695.db2.gz BAMNGDSHPUGZJQ-GYSYKLTISA-N 0 3 264.325 2.216 20 5 CEBDHN COc1cc(C[NH2+]C[C@H]2CC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000344409285 217184905 /nfs/dbraw/zinc/18/49/05/217184905.db2.gz LTXPAEYFMUAIFS-SNVBAGLBSA-N 0 3 280.324 2.445 20 5 CEBDHN C[C@H]1CCC[C@@H](CO)N1Cc1ccccc1[N+](=O)[O-] ZINC000269720822 372546494 /nfs/dbraw/zinc/54/64/94/372546494.db2.gz UKSRJUOJJUXYQQ-AAEUAGOBSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1c(CN(C)C[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270104924 372667261 /nfs/dbraw/zinc/66/72/61/372667261.db2.gz LRJVKJBYNQAVKX-DZGCQCFKSA-N 0 3 278.352 2.496 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000270220015 372707487 /nfs/dbraw/zinc/70/74/87/372707487.db2.gz YYRKVCQYDWVDIP-WFASDCNBSA-N 0 3 294.351 2.066 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000353419243 220074355 /nfs/dbraw/zinc/07/43/55/220074355.db2.gz BOWIUSPMQLMXOY-RYWCDNDXSA-N 0 3 262.309 2.329 20 5 CEBDHN NC(=O)c1ccc(CN2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000365622319 372906125 /nfs/dbraw/zinc/90/61/25/372906125.db2.gz FBSHRXWEUPPDDJ-UHFFFAOYSA-N 0 3 289.335 2.212 20 5 CEBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270859379 372986024 /nfs/dbraw/zinc/98/60/24/372986024.db2.gz HXPWGTNZKBRJPC-SMDDNHRTSA-N 0 3 264.325 2.106 20 5 CEBDHN Cn1cncc1CNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272343690 373439760 /nfs/dbraw/zinc/43/97/60/373439760.db2.gz UBRWCQHWENPPKS-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN C[C@@H](O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555920 373548938 /nfs/dbraw/zinc/54/89/38/373548938.db2.gz SEWZVZGVDFHKLP-FAQJLRJSSA-N 0 3 276.336 2.311 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@@]3(CCOC3)C2)cs1 ZINC000371401424 373870282 /nfs/dbraw/zinc/87/02/82/373870282.db2.gz OUGQBLVLGHTPCZ-AAEUAGOBSA-N 0 3 298.364 2.084 20 5 CEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000274478894 373937025 /nfs/dbraw/zinc/93/70/25/373937025.db2.gz NUQJSXOTVXCEAC-ZDUSSCGKSA-N 0 3 292.383 2.033 20 5 CEBDHN Cc1ccc(CNCCC(C)(C)O)cc1[N+](=O)[O-] ZINC000274749253 374036873 /nfs/dbraw/zinc/03/68/73/374036873.db2.gz MAFIIOCIADOYDA-UHFFFAOYSA-N 0 3 252.314 2.154 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374412066 374567010 /nfs/dbraw/zinc/56/70/10/374567010.db2.gz PPGXYOVQXACGCC-TZMCWYRMSA-N 0 3 276.336 2.453 20 5 CEBDHN CN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278461783 374824648 /nfs/dbraw/zinc/82/46/48/374824648.db2.gz SSFWLDHRCFEJIM-UHFFFAOYSA-N 0 3 276.340 2.069 20 5 CEBDHN NC(=O)c1ccc(CN2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000377544662 374880405 /nfs/dbraw/zinc/88/04/05/374880405.db2.gz OWJYZOUVWPSVFV-ZDUSSCGKSA-N 0 3 289.335 2.068 20 5 CEBDHN CC(C)[C@]1(CO)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000377716681 374932481 /nfs/dbraw/zinc/93/24/81/374932481.db2.gz COPYNHOGYDCZQU-OAHLLOKOSA-N 0 3 278.352 2.435 20 5 CEBDHN C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000408464802 375488453 /nfs/dbraw/zinc/48/84/53/375488453.db2.gz FTUBZRASCVIVHY-ZJUUUORDSA-N 0 3 282.319 2.048 20 5 CEBDHN Cc1c(CN(C)[C@@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000286761606 376056906 /nfs/dbraw/zinc/05/69/06/376056906.db2.gz ZJHCDPTWEYZSOE-ZIAGYGMSSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1ccc([C@H](C)NCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287420946 376228701 /nfs/dbraw/zinc/22/87/01/376228701.db2.gz SFIRUENLHWUMQV-LBPRGKRZSA-N 0 3 296.367 2.341 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCCC2)c(F)c1 ZINC000289701648 376453530 /nfs/dbraw/zinc/45/35/30/376453530.db2.gz YATFMJLFSHYIKA-CQSZACIVSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1cc(N2CCN[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420238357 376646413 /nfs/dbraw/zinc/64/64/13/376646413.db2.gz KZDVZGUJFOOHLS-LLVKDONJSA-N 0 3 286.335 2.250 20 5 CEBDHN CCC(O)(CC)CNCc1ccc([N+](=O)[O-])cc1F ZINC000311778147 376686543 /nfs/dbraw/zinc/68/65/43/376686543.db2.gz WXTRCUDRKRXRKM-UHFFFAOYSA-N 0 3 270.304 2.375 20 5 CEBDHN C[C@@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000290732612 376900998 /nfs/dbraw/zinc/90/09/98/376900998.db2.gz GCNWCOVOOMCKEE-KOLCDFICSA-N 0 3 276.340 2.214 20 5 CEBDHN CCN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264699105 190129565 /nfs/dbraw/zinc/12/95/65/190129565.db2.gz NGEACQVQQPBSLF-AWEZNQCLSA-N 0 3 291.351 2.199 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)OC ZINC000291150271 377091846 /nfs/dbraw/zinc/09/18/46/377091846.db2.gz DPCXRWKLNHSIMW-GFCCVEGCSA-N 0 3 282.340 2.330 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N(C)CCN(C)C1CC1 ZINC000563427707 377222957 /nfs/dbraw/zinc/22/29/57/377222957.db2.gz SHFLRYLCOFQABZ-UHFFFAOYSA-N 0 3 279.340 2.134 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2nnc[nH]2)C1 ZINC000425551295 377371557 /nfs/dbraw/zinc/37/15/57/377371557.db2.gz QJKHPTWHSPIMEG-QWRGUYRKSA-N 0 3 287.323 2.263 20 5 CEBDHN C[C@H](N[C@@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884857 377461052 /nfs/dbraw/zinc/46/10/52/377461052.db2.gz JOSUVDBDQMJZDI-WCQYABFASA-N 0 3 286.335 2.457 20 5 CEBDHN CCOCC(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000293323515 377520084 /nfs/dbraw/zinc/52/00/84/377520084.db2.gz RFZVEINHORQENF-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN CSC[C@@](C)(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000265664176 190198223 /nfs/dbraw/zinc/19/82/23/190198223.db2.gz DGPKTRKOQCGQCB-DYLGSBMWSA-N 0 3 296.392 2.312 20 5 CEBDHN C[C@H](NCCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000313263296 249392672 /nfs/dbraw/zinc/39/26/72/249392672.db2.gz LSDWZXXOKUJWDP-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN COC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000265803881 190208337 /nfs/dbraw/zinc/20/83/37/190208337.db2.gz OLFASGDNNIBSSG-GFCCVEGCSA-N 0 3 264.325 2.372 20 5 CEBDHN CC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293616363 377658405 /nfs/dbraw/zinc/65/84/05/377658405.db2.gz JKNYLKMGGVEFAV-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN CCN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278297485 193904388 /nfs/dbraw/zinc/90/43/88/193904388.db2.gz GMZFOIYGUNZCAL-UHFFFAOYSA-N 0 3 290.367 2.459 20 5 CEBDHN Cc1[nH]cnc1CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295749362 378287770 /nfs/dbraw/zinc/28/77/70/378287770.db2.gz UKRXBWGGFLGTTC-VIFPVBQESA-N 0 3 288.307 2.046 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000450282348 378339649 /nfs/dbraw/zinc/33/96/49/378339649.db2.gz HDNLRVOXZIZRTO-HNNXBMFYSA-N 0 3 294.351 2.221 20 5 CEBDHN CC[C@@H](C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296173403 378440792 /nfs/dbraw/zinc/44/07/92/378440792.db2.gz ZAEYQBDWWBWULZ-GFCCVEGCSA-N 0 3 278.356 2.158 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000450773224 378571312 /nfs/dbraw/zinc/57/13/12/378571312.db2.gz APICITXIVNXJAB-RISCZKNCSA-N 0 3 261.325 2.044 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC1CCN(C2CCC2)CC1 ZINC000450880109 378627796 /nfs/dbraw/zinc/62/77/96/378627796.db2.gz WHVLLMPKDLIGKP-UHFFFAOYSA-N 0 3 276.340 2.419 20 5 CEBDHN C[C@@H]1CSC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296681452 378616253 /nfs/dbraw/zinc/61/62/53/378616253.db2.gz GXFQSEGHHUYOTJ-PRHODGIISA-N 0 3 292.364 2.312 20 5 CEBDHN C[C@H](NCCC1OCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296690622 378618717 /nfs/dbraw/zinc/61/87/17/378618717.db2.gz JROKZVGCSHLKQK-NSHDSACASA-N 0 3 280.324 2.399 20 5 CEBDHN Cc1cnc(CCNCc2ccccc2[N+](=O)[O-])cn1 ZINC000453595715 378916137 /nfs/dbraw/zinc/91/61/37/378916137.db2.gz KODMUJKBYKRJDU-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000278560951 194044546 /nfs/dbraw/zinc/04/45/46/194044546.db2.gz CKILNTYOENXGRH-GJZGRUSLSA-N 0 3 294.351 2.187 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCOC2)cc(C(F)(F)F)c1 ZINC000278881378 194194968 /nfs/dbraw/zinc/19/49/68/194194968.db2.gz ZOIWWYUIISAMFP-JTQLQIEISA-N 0 3 290.241 2.492 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000301293816 379249891 /nfs/dbraw/zinc/24/98/91/379249891.db2.gz OKBYWKAAPIUXSQ-LBPRGKRZSA-N 0 3 263.341 2.373 20 5 CEBDHN CC[C@H](C)[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000304063018 379518319 /nfs/dbraw/zinc/51/83/19/379518319.db2.gz RFKPPPILIJQAKE-SMDDNHRTSA-N 0 3 266.341 2.482 20 5 CEBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457016966 379628080 /nfs/dbraw/zinc/62/80/80/379628080.db2.gz CBOYJRPVRLDFMK-UHFFFAOYSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000305151761 379662159 /nfs/dbraw/zinc/66/21/59/379662159.db2.gz AJNFTYQFYBNPLU-SWLSCSKDSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000457370920 379768028 /nfs/dbraw/zinc/76/80/28/379768028.db2.gz GNJFDADNHBNLNF-AWEZNQCLSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(CCN(C)C3)C2)n1 ZINC000488758631 380133796 /nfs/dbraw/zinc/13/37/96/380133796.db2.gz APZGRFHYJLAACZ-OAHLLOKOSA-N 0 3 290.367 2.139 20 5 CEBDHN CO[C@]1(C)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000279337498 194390275 /nfs/dbraw/zinc/39/02/75/194390275.db2.gz PLMGGOOBQBBSSS-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493594123 381077608 /nfs/dbraw/zinc/07/76/08/381077608.db2.gz RJWWYEOPPOJYJL-JXMROGBWSA-N 0 3 291.351 2.064 20 5 CEBDHN C/C=C\C[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349829391 218931865 /nfs/dbraw/zinc/93/18/65/218931865.db2.gz OVVNQWWXKIIAGI-MVZIDQBPSA-N 0 3 280.324 2.020 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)C1CCCC1 ZINC000289417313 197337447 /nfs/dbraw/zinc/33/74/47/197337447.db2.gz BTNJNEFBBFDOFG-ZDUSSCGKSA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000350289608 219005226 /nfs/dbraw/zinc/00/52/26/219005226.db2.gz RLBBHEPBTLOBKY-ZDUSSCGKSA-N 0 3 268.288 2.250 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCCO ZINC000281618558 195310166 /nfs/dbraw/zinc/31/01/66/195310166.db2.gz HJDNUCCWQWSUHP-LLVKDONJSA-N 0 3 252.314 2.278 20 5 CEBDHN COC[C@H](CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000358479280 285377617 /nfs/dbraw/zinc/37/76/17/285377617.db2.gz DIPCBESUHOBKSZ-ZDUSSCGKSA-N 0 3 296.367 2.469 20 5 CEBDHN CO[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000190933331 533430291 /nfs/dbraw/zinc/43/02/91/533430291.db2.gz RPTNVSBBOGVSQD-VXGBXAGGSA-N 0 3 250.298 2.252 20 5 CEBDHN COCC(C)(C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000311689459 394538618 /nfs/dbraw/zinc/53/86/18/394538618.db2.gz KOHLXDTXIDKTGJ-UHFFFAOYSA-N 0 3 270.304 2.496 20 5 CEBDHN C[C@H]1[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357049653 394693274 /nfs/dbraw/zinc/69/32/74/394693274.db2.gz YJTLMTGRAXFTHG-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104530094 394721124 /nfs/dbraw/zinc/72/11/24/394721124.db2.gz QOYNFLLWIGDVGU-UHFFFAOYSA-N 0 3 279.340 2.009 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC[C@H](C)O ZINC000278774159 394835110 /nfs/dbraw/zinc/83/51/10/394835110.db2.gz YMAKPQSCSBDOEO-NSHDSACASA-N 0 3 252.314 2.154 20 5 CEBDHN CN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)CN1CCCC1 ZINC000416099251 395014178 /nfs/dbraw/zinc/01/41/78/395014178.db2.gz UJESNJQNZWVPQV-UHFFFAOYSA-N 0 3 295.339 2.134 20 5 CEBDHN Cc1cnc(CCNCc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000340107577 394978801 /nfs/dbraw/zinc/97/88/01/394978801.db2.gz YJNWSFZCOXHROT-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN CCCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000343960549 395047458 /nfs/dbraw/zinc/04/74/58/395047458.db2.gz LJEFRMKDSUJMTF-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1ccccc1[N+](=O)[O-] ZINC000287431203 395041228 /nfs/dbraw/zinc/04/12/28/395041228.db2.gz POSMWKSPYGDAEC-NSHDSACASA-N 0 3 252.314 2.188 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000351936772 395240817 /nfs/dbraw/zinc/24/08/17/395240817.db2.gz QUCYQKWJYNASDW-NEPJUHHUSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1nc(NC(=O)C(C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000355246916 395382446 /nfs/dbraw/zinc/38/24/46/395382446.db2.gz YCNNCTMNWAQFFW-YFKPBYRVSA-N 0 3 277.202 2.435 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)[C@H](CO)C1 ZINC000190856251 395343322 /nfs/dbraw/zinc/34/33/22/395343322.db2.gz WHRBPZIUFGEMKD-WZRBSPASSA-N 0 3 264.325 2.216 20 5 CEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4CC[C@H]3C4)c2c1 ZINC000599084441 400616617 /nfs/dbraw/zinc/61/66/17/400616617.db2.gz XOXSYXDYEAMHEQ-ZDUSSCGKSA-N 0 3 284.319 2.037 20 5 CEBDHN C[C@H](N[C@@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825570 155381740 /nfs/dbraw/zinc/38/17/40/155381740.db2.gz OUMCGIGDLQCJHQ-NHYWBVRUSA-N 0 3 294.351 2.033 20 5 CEBDHN CCN(CCNc1nc(C)ccc1[N+](=O)[O-])C1CC1 ZINC000222986025 153318275 /nfs/dbraw/zinc/31/82/75/153318275.db2.gz BBHOAKIWUJWFQP-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN CN(CCNc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227650266 153352029 /nfs/dbraw/zinc/35/20/29/153352029.db2.gz NYSQAQAHYJFWRW-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000230151987 153382466 /nfs/dbraw/zinc/38/24/66/153382466.db2.gz RJBWWYGDBYENAO-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN COc1ccc(CN[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704179 153399062 /nfs/dbraw/zinc/39/90/62/153399062.db2.gz IUWJAEKAVSHCGZ-JTQLQIEISA-N 0 3 268.338 2.199 20 5 CEBDHN C[C@@H]1CCOCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000367666404 156221560 /nfs/dbraw/zinc/22/15/60/156221560.db2.gz VUGKLSOAGQCHKP-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN CSCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375404166 157095811 /nfs/dbraw/zinc/09/58/11/157095811.db2.gz NMUQQOYKUPPKBS-NSHDSACASA-N 0 3 284.385 2.181 20 5 CEBDHN Cc1c(CN2CC[C@@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000159420596 162310367 /nfs/dbraw/zinc/31/03/67/162310367.db2.gz NEHFVPVXXSDCMD-QMTHXVAHSA-N 0 3 264.325 2.106 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000176266705 165159300 /nfs/dbraw/zinc/15/93/00/165159300.db2.gz SAWKLKBZNFBULX-RYUDHWBXSA-N 0 3 264.329 2.056 20 5 CEBDHN Cc1nccn1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284291521 196022342 /nfs/dbraw/zinc/02/23/42/196022342.db2.gz XXKPNETZAKJNHF-SNVBAGLBSA-N 0 3 289.339 2.033 20 5 CEBDHN C/C=C/C[C@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026643 196181063 /nfs/dbraw/zinc/18/10/63/196181063.db2.gz HOTQNOMRMCNNKF-ISBNUJHVSA-N 0 3 279.340 2.155 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cccnc2)cc1 ZINC000035677692 172348335 /nfs/dbraw/zinc/34/83/35/172348335.db2.gz PDMJGTALHSMFRD-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000285412255 196275972 /nfs/dbraw/zinc/27/59/72/196275972.db2.gz XTXFWCLNYNECLF-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@H](NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177069 173010771 /nfs/dbraw/zinc/01/07/71/173010771.db2.gz RLLDEGCUDLLUGW-LBPRGKRZSA-N 0 3 263.341 2.341 20 5 CEBDHN CC[C@H](NCCOCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044694022 175234860 /nfs/dbraw/zinc/23/48/60/175234860.db2.gz CSGKHTQNDMUJAV-AWEZNQCLSA-N 0 3 282.340 2.299 20 5 CEBDHN CC(=O)NCCN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000566796759 299022672 /nfs/dbraw/zinc/02/26/72/299022672.db2.gz IIWXHJLSLHIFOB-FMIVXFBMSA-N 0 3 291.351 2.066 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323033 270334269 /nfs/dbraw/zinc/33/42/69/270334269.db2.gz LCYXZPUDLKTPLY-YGRLFVJLSA-N 0 3 264.325 2.406 20 5 CEBDHN CN1C[C@@H]2CCCN(Cc3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425361732 271160187 /nfs/dbraw/zinc/16/01/87/271160187.db2.gz YKKZJPULLCQLFX-NWDGAFQWSA-N 0 3 281.381 2.182 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCCC[C@H]1O ZINC000430220400 271365774 /nfs/dbraw/zinc/36/57/74/271365774.db2.gz PUAHAMCINCORNQ-ZIAGYGMSSA-N 0 3 294.351 2.339 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)C1)CCC2 ZINC000295830096 275038644 /nfs/dbraw/zinc/03/86/44/275038644.db2.gz CMYQHXHFAQWSEY-SCDSUCTJSA-N 0 3 262.309 2.085 20 5 CEBDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131330024 275676320 /nfs/dbraw/zinc/67/63/20/275676320.db2.gz HYWLWBBXZVYSGF-GWCFXTLKSA-N 0 3 252.314 2.262 20 5 CEBDHN CC(C)[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131330252 277925443 /nfs/dbraw/zinc/92/54/43/277925443.db2.gz HYWLWBBXZVYSGF-ZWNOBZJWSA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000175013294 280915918 /nfs/dbraw/zinc/91/59/18/280915918.db2.gz QUMCDBSDHMNEBP-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN C[C@H](N[C@@H](CO)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000429455981 281238022 /nfs/dbraw/zinc/23/80/22/281238022.db2.gz SOFAUCDPWXXVEG-WCBMZHEXSA-N 0 3 274.267 2.262 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000151322626 289054868 /nfs/dbraw/zinc/05/48/68/289054868.db2.gz FELVJQZWAWPVAI-UHFFFAOYSA-N 0 3 279.340 2.009 20 5 CEBDHN CC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826533 289068046 /nfs/dbraw/zinc/06/80/46/289068046.db2.gz NDOXSRCMAXNMSL-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660334 290042848 /nfs/dbraw/zinc/04/28/48/290042848.db2.gz VNOAEMVSHWPMPI-DRZSPHRISA-N 0 3 291.351 2.290 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000459749809 290226895 /nfs/dbraw/zinc/22/68/95/290226895.db2.gz YYYNSPORRTTWRK-OLZOCXBDSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1cnc(N(C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222635 302345499 /nfs/dbraw/zinc/34/54/99/302345499.db2.gz QVABGUYHDDLUKW-VXGBXAGGSA-N 0 3 278.356 2.217 20 5 CEBDHN C[C@](O)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581174 314098005 /nfs/dbraw/zinc/09/80/05/314098005.db2.gz JMBSJKRDZYXYRX-HIFRSBDPSA-N 0 3 276.336 2.333 20 5 CEBDHN CC(C)c1ccc(CN2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157151469 519836041 /nfs/dbraw/zinc/83/60/41/519836041.db2.gz MSPRAVUZIXWJGL-GFCCVEGCSA-N 0 3 291.351 2.025 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@](C)(O)c1ccco1 ZINC000183517541 525565620 /nfs/dbraw/zinc/56/56/20/525565620.db2.gz QARBQHQXPTWAAI-OAHLLOKOSA-N 0 3 290.319 2.494 20 5 CEBDHN Cc1c([C@H](C)N[C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312152 525921905 /nfs/dbraw/zinc/92/19/05/525921905.db2.gz UQPBCDLSYGIUIA-KKRWKGTOSA-N 0 3 284.381 2.321 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000068467589 526068552 /nfs/dbraw/zinc/06/85/52/526068552.db2.gz YBONZDNTDVGTIK-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN O=C1C[C@H]2CC[C@@H](C1)N2CCc1ccc([N+](=O)[O-])cc1 ZINC000054626638 527035784 /nfs/dbraw/zinc/03/57/84/527035784.db2.gz SDVGESUCSLGHME-OKILXGFUSA-N 0 3 274.320 2.333 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCCC[C@H]2O)c1 ZINC000052926293 527386299 /nfs/dbraw/zinc/38/62/99/527386299.db2.gz ZYNIYWVUFOWANS-UONOGXRCSA-N 0 3 264.325 2.378 20 5 CEBDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350730 529145406 /nfs/dbraw/zinc/14/54/06/529145406.db2.gz USUPCKPAWKXBCN-VXGBXAGGSA-N 0 3 293.367 2.029 20 5 CEBDHN Cc1nn(C(C)(C)C)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114265 623075850 /nfs/dbraw/zinc/07/58/50/623075850.db2.gz OOLSMEGIYIMERM-MRVPVSSYSA-N 0 3 283.328 2.077 20 5 CEBDHN Cc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000158639786 624581008 /nfs/dbraw/zinc/58/10/08/624581008.db2.gz UKEPUOUPLBWIKN-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1c(CNCCOCC2CC2)cccc1[N+](=O)[O-] ZINC000235814482 625753875 /nfs/dbraw/zinc/75/38/75/625753875.db2.gz FAKLFIRBCREBTN-UHFFFAOYSA-N 0 3 264.325 2.419 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(C)(O)CC1 ZINC000892940089 627867204 /nfs/dbraw/zinc/86/72/04/627867204.db2.gz YSWARDVURSMDTL-UHFFFAOYSA-N 0 3 294.351 2.387 20 5 CEBDHN CC(COC(=O)CC(C)(C)CC(F)F)[N+](=O)[O-] ZINC000893047542 627968126 /nfs/dbraw/zinc/96/81/26/627968126.db2.gz NEQSZGPEBSKPNC-ZETCQYMHSA-N 0 3 253.245 2.266 20 5 CEBDHN CCOCCOCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930554092 628083420 /nfs/dbraw/zinc/08/34/20/628083420.db2.gz HYYVLFLXJQVDMK-UHFFFAOYSA-N 0 3 296.367 2.473 20 5 CEBDHN C[C@]1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CCC(=O)N1 ZINC000894804696 629643640 /nfs/dbraw/zinc/64/36/40/629643640.db2.gz PIXCVARUFAYCKB-CYBMUJFWSA-N 0 3 297.742 2.007 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000895125044 629928890 /nfs/dbraw/zinc/92/88/90/629928890.db2.gz OFIPJWRHJZFRRQ-PSASIEDQSA-N 0 3 298.364 2.293 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000895125044 629928892 /nfs/dbraw/zinc/92/88/92/629928892.db2.gz OFIPJWRHJZFRRQ-PSASIEDQSA-N 0 3 298.364 2.293 20 5 CEBDHN CC(COC(=O)[C@@H](C)[C@H]1OCCc2sccc21)[N+](=O)[O-] ZINC000797277624 631110077 /nfs/dbraw/zinc/11/00/77/631110077.db2.gz CXRLKYGASDRWFE-VDDIYKPWSA-N 0 3 299.348 2.206 20 5 CEBDHN Cn1cnc(CNCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000808390716 631954927 /nfs/dbraw/zinc/95/49/27/631954927.db2.gz AUUQVTFFHZIZTG-UHFFFAOYSA-N 0 3 288.351 2.441 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@@H](O)C1CC1 ZINC000898202284 632083373 /nfs/dbraw/zinc/08/33/73/632083373.db2.gz GVHBKWDCQIZYEF-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)c1cccc2cnccc21)[N+](=O)[O-] ZINC000813102494 632621630 /nfs/dbraw/zinc/62/16/30/632621630.db2.gz GGXVTVGUZXBZBZ-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN COc1cccc2cc(C(=O)OCC(C)[N+](=O)[O-])oc21 ZINC000813106201 632623245 /nfs/dbraw/zinc/62/32/45/632623245.db2.gz AKKJSPZFQFGFIC-QMMMGPOBSA-N 0 3 279.248 2.263 20 5 CEBDHN CC(COC(=O)c1cccc(F)c1Cl)[N+](=O)[O-] ZINC000813108631 632625204 /nfs/dbraw/zinc/62/52/04/632625204.db2.gz IXZHGWYXUZOGMU-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN CC(COC(=O)c1csc(-c2ccccn2)n1)[N+](=O)[O-] ZINC000813111510 632627352 /nfs/dbraw/zinc/62/73/52/632627352.db2.gz UFSFTXNXYCUQID-QMMMGPOBSA-N 0 3 293.304 2.027 20 5 CEBDHN CC[C@H](Oc1ccccc1C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110922 632627778 /nfs/dbraw/zinc/62/77/78/632627778.db2.gz MAKLEJDMVIHCIA-RYUDHWBXSA-N 0 3 281.308 2.361 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813112173 632627812 /nfs/dbraw/zinc/62/78/12/632627812.db2.gz DASYIPQRIOVSMB-IUCAKERBSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)C(C1CCC1)C1CCC1)[N+](=O)[O-] ZINC000813114301 632628411 /nfs/dbraw/zinc/62/84/11/632628411.db2.gz PDJBZIQVYDJZCA-VIFPVBQESA-N 0 3 255.314 2.411 20 5 CEBDHN CC(COC(=O)c1csc2c1CCCC2)[N+](=O)[O-] ZINC000813113639 632628785 /nfs/dbraw/zinc/62/87/85/632628785.db2.gz HILLSTBODILNEQ-MRVPVSSYSA-N 0 3 269.322 2.449 20 5 CEBDHN CC(COC(=O)Cc1ccc(OC(F)F)cc1)[N+](=O)[O-] ZINC000813115627 632629578 /nfs/dbraw/zinc/62/95/78/632629578.db2.gz WSHZGLXGZXQQLS-QMMMGPOBSA-N 0 3 289.234 2.039 20 5 CEBDHN Cc1ncc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000818975101 634024489 /nfs/dbraw/zinc/02/44/89/634024489.db2.gz SUVVFTZBVPYECA-CYBMUJFWSA-N 0 3 293.348 2.183 20 5 CEBDHN CN[C@H](C)c1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398137 634089902 /nfs/dbraw/zinc/08/99/02/634089902.db2.gz JYQOTZGIROYEBR-SSDOTTSWSA-N 0 3 291.263 2.259 20 5 CEBDHN Cc1cncc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819195161 634101280 /nfs/dbraw/zinc/10/12/80/634101280.db2.gz XRRWUSLRUWCTGK-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN C[C@H](NCCn1ccccc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830160478 636995690 /nfs/dbraw/zinc/99/56/90/636995690.db2.gz BQRWRZJTKJCYLI-LBPRGKRZSA-N 0 3 287.319 2.107 20 5 CEBDHN COC(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000831539029 637366061 /nfs/dbraw/zinc/36/60/61/637366061.db2.gz LOSDMAGSTFKHKU-CYBMUJFWSA-N 0 3 294.351 2.393 20 5 CEBDHN COC[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616346 637620849 /nfs/dbraw/zinc/62/08/49/637620849.db2.gz WXZFDNYKULLRFH-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN COC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616055 637621170 /nfs/dbraw/zinc/62/11/70/637621170.db2.gz QAHPKVLXAJKKIB-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(COC(=O)c1cc2cccnc2s1)[N+](=O)[O-] ZINC000835454526 638262229 /nfs/dbraw/zinc/26/22/29/638262229.db2.gz KGVWXVAYOWQUBO-ZETCQYMHSA-N 0 3 266.278 2.118 20 5 CEBDHN CC(COC(=O)C[C@@H]1CSc2ccccc2O1)[N+](=O)[O-] ZINC000835455915 638263280 /nfs/dbraw/zinc/26/32/80/638263280.db2.gz QESJTXIOYKRCFB-VHSXEESVSA-N 0 3 297.332 2.138 20 5 CEBDHN CC(C)c1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835457714 638263922 /nfs/dbraw/zinc/26/39/22/638263922.db2.gz ZQNZMJQPLAOGHF-ZETCQYMHSA-N 0 3 258.299 2.089 20 5 CEBDHN CC(COC(=O)C[C@]1(C)CC1(Cl)Cl)[N+](=O)[O-] ZINC000835455101 640510877 /nfs/dbraw/zinc/51/08/77/640510877.db2.gz MTICKPXBNXBLCT-POYBYMJQSA-N 0 3 270.112 2.169 20 5 CEBDHN CC(COC(=O)COC[C@H](C)c1ccccc1)[N+](=O)[O-] ZINC000845576430 641002570 /nfs/dbraw/zinc/00/25/70/641002570.db2.gz LGMAOWHXDBXTPN-NWDGAFQWSA-N 0 3 281.308 2.015 20 5 CEBDHN COC(CCN[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000851907701 643218907 /nfs/dbraw/zinc/21/89/07/643218907.db2.gz VXTJYZUZMODZEI-JTQLQIEISA-N 0 3 268.313 2.254 20 5 CEBDHN CCOCCOCCNCc1cccc([N+](=O)[O-])c1C ZINC000922943401 643468039 /nfs/dbraw/zinc/46/80/39/643468039.db2.gz ATXBUBJTJVPUKP-UHFFFAOYSA-N 0 3 282.340 2.046 20 5 CEBDHN CC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111690859 643934249 /nfs/dbraw/zinc/93/42/49/643934249.db2.gz BBLXPRNYFQOXSF-UHFFFAOYSA-N 0 3 276.336 2.438 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC2(O)CCCCC2)cs1 ZINC000112204827 644049975 /nfs/dbraw/zinc/04/99/75/644049975.db2.gz IVVMEKOABMYXFN-UHFFFAOYSA-N 0 3 270.354 2.441 20 5 CEBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199794 644486851 /nfs/dbraw/zinc/48/68/51/644486851.db2.gz PDCVKTPRBFYQGF-RISCZKNCSA-N 0 3 296.392 2.456 20 5 CEBDHN CC[S@@](=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000765943987 645824357 /nfs/dbraw/zinc/82/43/57/645824357.db2.gz NLXGNYXOSBVYAE-NSPYISDASA-N 0 3 284.381 2.322 20 5 CEBDHN CCO[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274345 647044704 /nfs/dbraw/zinc/04/47/04/647044704.db2.gz CGCRAYJDECYVAJ-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN CCOC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275139 647044853 /nfs/dbraw/zinc/04/48/53/647044853.db2.gz GJESHZUXRWBFQO-OAHLLOKOSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCNCc1cn(C2CC2)cn1 ZINC000865476466 647313727 /nfs/dbraw/zinc/31/37/27/647313727.db2.gz DZIZEOMZYFYMBA-UHFFFAOYSA-N 0 3 286.335 2.459 20 5 CEBDHN CO[C@@]1(C)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554823 648542525 /nfs/dbraw/zinc/54/25/25/648542525.db2.gz DRWUKTNSDLCMCB-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1cccc(CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870377380 648789587 /nfs/dbraw/zinc/78/95/87/648789587.db2.gz QJECONLQLDPFAP-RYUDHWBXSA-N 0 3 281.308 2.109 20 5 CEBDHN Cc1cccc(CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870377378 648789772 /nfs/dbraw/zinc/78/97/72/648789772.db2.gz QJECONLQLDPFAP-NEPJUHHUSA-N 0 3 281.308 2.109 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CO ZINC000872023513 649244416 /nfs/dbraw/zinc/24/44/16/649244416.db2.gz HZTVXXCRHHHLMM-RKDXNWHRSA-N 0 3 270.354 2.348 20 5 CEBDHN CN1CC[C@H](Nc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001167273011 802621315 /nfs/dbraw/zinc/62/13/15/802621315.db2.gz MSCGWTVNSSEOPS-LBPRGKRZSA-N 0 3 299.334 2.168 20 5 CEBDHN CCN1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC000307900573 803316972 /nfs/dbraw/zinc/31/69/72/803316972.db2.gz PJLVLQOLJAIRMH-UHFFFAOYSA-N 0 3 284.747 2.175 20 5 CEBDHN CO[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001119237491 815077591 /nfs/dbraw/zinc/07/75/91/815077591.db2.gz UYFZCHZDWWDIOT-LBPRGKRZSA-N 0 3 264.325 2.432 20 5 CEBDHN Cc1cn[nH]c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000716475995 815130890 /nfs/dbraw/zinc/13/08/90/815130890.db2.gz HEUHHVZVBULIBN-SNVBAGLBSA-N 0 3 260.297 2.477 20 5 CEBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976173 811304911 /nfs/dbraw/zinc/30/49/11/811304911.db2.gz ZCANGLSKSPCCQB-MNOVXSKESA-N 0 3 280.299 2.043 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOc3ccccc3C2)C1 ZINC001169030366 811343872 /nfs/dbraw/zinc/34/38/72/811343872.db2.gz ZBWJDVHEYUOBOD-TZMCWYRMSA-N 0 3 276.336 2.326 20 5 CEBDHN COc1ccc(C[C@@H](C)NCCF)c([N+](=O)[O-])c1 ZINC001170297856 812376677 /nfs/dbraw/zinc/37/66/77/812376677.db2.gz UNLKWWPTVWZNND-SECBINFHSA-N 0 3 256.277 2.094 20 5 CEBDHN CCC1(N[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])COC1 ZINC001170307869 812390372 /nfs/dbraw/zinc/39/03/72/812390372.db2.gz JLMCFVHTYVSGGL-LLVKDONJSA-N 0 3 294.351 2.303 20 5 CEBDHN CN1CCN(c2cccc([N+](=O)[O-])n2)C2(CCCC2)C1 ZINC001158408974 812689951 /nfs/dbraw/zinc/68/99/51/812689951.db2.gz UVQPPDJNUCWWKH-UHFFFAOYSA-N 0 3 276.340 2.054 20 5 CEBDHN CCN1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000712571770 814767195 /nfs/dbraw/zinc/76/71/95/814767195.db2.gz YCWDKMFJAQHMCN-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN CCOCCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995326 361802911 /nfs/dbraw/zinc/80/29/11/361802911.db2.gz JTBIIZJKUOUIRJ-UHFFFAOYSA-N 0 3 252.314 2.419 20 5 CEBDHN O=[N+]([O-])c1cc(CNC2CCC(O)CC2)cs1 ZINC000037562481 361903886 /nfs/dbraw/zinc/90/38/86/361903886.db2.gz NSHPTTCPBMXVHG-UHFFFAOYSA-N 0 3 256.327 2.049 20 5 CEBDHN COC1CCN(CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000080250585 344004874 /nfs/dbraw/zinc/00/48/74/344004874.db2.gz BZIJJHDTEPLFDS-UHFFFAOYSA-N 0 3 297.330 2.257 20 5 CEBDHN CN1CCN(CCCSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337936052 214320607 /nfs/dbraw/zinc/32/06/07/214320607.db2.gz MCFRVOYJCDDGRM-UHFFFAOYSA-N 0 3 295.408 2.324 20 5 CEBDHN COc1ccc(CN[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040778616 361998537 /nfs/dbraw/zinc/99/85/37/361998537.db2.gz GWTUDYYJIURATC-LBPRGKRZSA-N 0 3 282.340 2.100 20 5 CEBDHN CC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155322424 529440777 /nfs/dbraw/zinc/44/07/77/529440777.db2.gz FQHPDDYPLZPGNA-ZDUSSCGKSA-N 0 3 279.340 2.069 20 5 CEBDHN Cc1ccc(NC(=O)[C@@H]2C[C@H](C)CCN2)cc1[N+](=O)[O-] ZINC000126041059 187212403 /nfs/dbraw/zinc/21/24/03/187212403.db2.gz QCDRAYAZJIEURL-SKDRFNHKSA-N 0 3 277.324 2.230 20 5 CEBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000052072615 343555398 /nfs/dbraw/zinc/55/53/98/343555398.db2.gz FKEBUMOQATZPIK-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN COC[C@]1(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000295025809 199306713 /nfs/dbraw/zinc/30/67/13/199306713.db2.gz CQDAJSFPBPINRS-CQSZACIVSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N(C)C1CC1 ZINC000057704600 343635710 /nfs/dbraw/zinc/63/57/10/343635710.db2.gz HCTMENNPVXNUGY-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066947100 343725990 /nfs/dbraw/zinc/72/59/90/343725990.db2.gz ZXFSTHRPJZBQFB-AWEZNQCLSA-N 0 3 291.351 2.151 20 5 CEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066947101 343726217 /nfs/dbraw/zinc/72/62/17/343726217.db2.gz ZXFSTHRPJZBQFB-CQSZACIVSA-N 0 3 291.351 2.151 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000048336225 362257825 /nfs/dbraw/zinc/25/78/25/362257825.db2.gz GFELWXGKPODYGH-JTQLQIEISA-N 0 3 280.324 2.144 20 5 CEBDHN Cc1cnc(N(C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000078664041 343960308 /nfs/dbraw/zinc/96/03/08/343960308.db2.gz BFRSBEONRLJVIA-LBPRGKRZSA-N 0 3 278.356 2.076 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078667874 343960882 /nfs/dbraw/zinc/96/08/82/343960882.db2.gz MHKUKKRLHINCJR-CHWSQXEVSA-N 0 3 292.383 2.465 20 5 CEBDHN COC(=O)[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000093762569 344229084 /nfs/dbraw/zinc/22/90/84/344229084.db2.gz DEJGYCNCBBUXAQ-DGCLKSJQSA-N 0 3 292.335 2.144 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000092672345 344199113 /nfs/dbraw/zinc/19/91/13/344199113.db2.gz TYEQQQIPUIUPEE-QWRGUYRKSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@H]1CCC[C@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438856 347033403 /nfs/dbraw/zinc/03/34/03/347033403.db2.gz BNQLWCANKALZIV-JQWIXIFHSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CCO ZINC000121293092 344302189 /nfs/dbraw/zinc/30/21/89/344302189.db2.gz VRCJDTXQFYHRQR-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H]1CCC[C@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475382 347049630 /nfs/dbraw/zinc/04/96/30/347049630.db2.gz VOOGZUQBYRSKDB-QWRGUYRKSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1c(CN2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000050104487 362400887 /nfs/dbraw/zinc/40/08/87/362400887.db2.gz IFJWBDLSDNYJCA-GFCCVEGCSA-N 0 3 264.325 2.108 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCCOC3)nc2c1 ZINC000602518433 347064275 /nfs/dbraw/zinc/06/42/75/347064275.db2.gz MRKQOWNFYUQNCS-SNVBAGLBSA-N 0 3 291.307 2.252 20 5 CEBDHN C[C@@H](O)[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000584586026 344959806 /nfs/dbraw/zinc/95/98/06/344959806.db2.gz IGBQPMPKPDCGDM-JGVFFNPUSA-N 0 3 292.257 2.473 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)CCF ZINC000593718626 345526739 /nfs/dbraw/zinc/52/67/39/345526739.db2.gz NLGSQIMGMCNMMK-QWRGUYRKSA-N 0 3 270.304 2.274 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1C[C@H](O)C1)CCCC2 ZINC000595105778 345742714 /nfs/dbraw/zinc/74/27/14/345742714.db2.gz YOFBSAPUGOSLPJ-WHOFXGATSA-N 0 3 276.336 2.475 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cnn3c2CCC3)cc1 ZINC000594923522 345703476 /nfs/dbraw/zinc/70/34/76/345703476.db2.gz YUJVJFHXJWDCFP-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936848 345709307 /nfs/dbraw/zinc/70/93/07/345709307.db2.gz WXWCXTRZODJRRM-FPQZTECRSA-N 0 3 292.335 2.443 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000594938694 345710316 /nfs/dbraw/zinc/71/03/16/345710316.db2.gz OKCYIYBYTFYOEV-CYZMBNFOSA-N 0 3 292.335 2.190 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CCCO1 ZINC000594957545 345716797 /nfs/dbraw/zinc/71/67/97/345716797.db2.gz RHZUFVKRCZNSSM-RJNRQISESA-N 0 3 262.309 2.377 20 5 CEBDHN Cc1ccc(CN[C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988542 345722798 /nfs/dbraw/zinc/72/27/98/345722798.db2.gz QJFAFSGEMYGUDV-KGLIPLIRSA-N 0 3 276.336 2.296 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCn1ccnc1 ZINC000595005121 345724889 /nfs/dbraw/zinc/72/48/89/345724889.db2.gz YAMIBCHWQZRJBZ-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@@H](C)O ZINC000595007035 345725385 /nfs/dbraw/zinc/72/53/85/345725385.db2.gz FATWQGJEWBKKEG-NXEZZACHSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H](C)O ZINC000595007038 345725456 /nfs/dbraw/zinc/72/54/56/345725456.db2.gz FATWQGJEWBKKEG-ZJUUUORDSA-N 0 3 268.313 2.025 20 5 CEBDHN CCC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018293 345727862 /nfs/dbraw/zinc/72/78/62/345727862.db2.gz NGKTZEAOHGHPAB-PWSUYJOCSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(O)CCC1 ZINC000595019563 345728067 /nfs/dbraw/zinc/72/80/67/345728067.db2.gz RGSRPWQHQOHSKA-SNVBAGLBSA-N 0 3 280.324 2.169 20 5 CEBDHN Cc1noc(CN2CCC[C@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595423211 345778350 /nfs/dbraw/zinc/77/83/50/345778350.db2.gz KFGRMVDGHXUPMN-LBPRGKRZSA-N 0 3 295.339 2.282 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595829891 345888357 /nfs/dbraw/zinc/88/83/57/345888357.db2.gz JISYPWGZCMPXHR-CHWSQXEVSA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595873247 345903367 /nfs/dbraw/zinc/90/33/67/345903367.db2.gz KWGCBLJJGUSPHA-SMDDNHRTSA-N 0 3 264.325 2.045 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](F)[C@H](N)C1 ZINC000595906850 345910700 /nfs/dbraw/zinc/91/07/00/345910700.db2.gz OLLZYHBDXHLVDV-YUSALJHKSA-N 0 3 267.304 2.027 20 5 CEBDHN CCCC[N@H+](C)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237101 345976633 /nfs/dbraw/zinc/97/66/33/345976633.db2.gz PYDIHSNSFHTWOG-JTQLQIEISA-N 0 3 282.344 2.228 20 5 CEBDHN CCCC[N@@H+](C)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237101 345976639 /nfs/dbraw/zinc/97/66/39/345976639.db2.gz PYDIHSNSFHTWOG-JTQLQIEISA-N 0 3 282.344 2.228 20 5 CEBDHN CCN1CCCN(c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596269549 345986274 /nfs/dbraw/zinc/98/62/74/345986274.db2.gz SGYDYMOEHWMKFW-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597075992 346124469 /nfs/dbraw/zinc/12/44/69/346124469.db2.gz NSQILFAHHGZTLS-TZMCWYRMSA-N 0 3 262.309 2.252 20 5 CEBDHN COC1(CNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000181080290 232398650 /nfs/dbraw/zinc/39/86/50/232398650.db2.gz IKHRMLYWHHEMNG-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000602586338 347089282 /nfs/dbraw/zinc/08/92/82/347089282.db2.gz QHBHATCYPPTZCC-OAHLLOKOSA-N 0 3 294.351 2.126 20 5 CEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC000597945008 346256066 /nfs/dbraw/zinc/25/60/66/346256066.db2.gz GIVBUNXFVLENON-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597944450 346256220 /nfs/dbraw/zinc/25/62/20/346256220.db2.gz CWSKAMVCSUZAIH-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC2CC(n3cccn3)C2)cc1 ZINC000602585329 347089441 /nfs/dbraw/zinc/08/94/41/347089441.db2.gz FKZKABUOKNVRBF-UHFFFAOYSA-N 0 3 272.308 2.285 20 5 CEBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000602600195 347094683 /nfs/dbraw/zinc/09/46/83/347094683.db2.gz NJHMIRXNTGSIHF-KGYLQXTDSA-N 0 3 278.356 2.339 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)Cc2ccccc2)c1 ZINC000063218438 362763190 /nfs/dbraw/zinc/76/31/90/362763190.db2.gz QMURKYKISXKAQP-OAHLLOKOSA-N 0 3 286.331 2.288 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600209113 346623558 /nfs/dbraw/zinc/62/35/58/346623558.db2.gz XFYFWXPVJAYLRG-GOEBONIOSA-N 0 3 290.363 2.498 20 5 CEBDHN CC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000336807861 365843133 /nfs/dbraw/zinc/84/31/33/365843133.db2.gz AHVIVZVDFZXZOP-ZDUSSCGKSA-N 0 3 270.304 2.375 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601115261 346756853 /nfs/dbraw/zinc/75/68/53/346756853.db2.gz DYXYTSDZGOJMCA-LLVKDONJSA-N 0 3 282.319 2.415 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C(F)F)c(Cl)c1 ZINC000601146755 346769306 /nfs/dbraw/zinc/76/93/06/346769306.db2.gz AKGCKMJIAGQELE-SNVBAGLBSA-N 0 3 294.685 2.354 20 5 CEBDHN CC(C)(C)N1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601109428 346755501 /nfs/dbraw/zinc/75/55/01/346755501.db2.gz UBIXCPCNMIJYJL-UHFFFAOYSA-N 0 3 296.346 2.440 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2ccco2)C1 ZINC000602780630 347195294 /nfs/dbraw/zinc/19/52/94/347195294.db2.gz BBEDMCUEFQINOE-LBPRGKRZSA-N 0 3 290.323 2.182 20 5 CEBDHN CC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000602845196 347222551 /nfs/dbraw/zinc/22/25/51/347222551.db2.gz GEXRLWVVNKRZCY-WDEREUQCSA-N 0 3 266.345 2.243 20 5 CEBDHN O=[N+]([O-])c1ccccc1C=CCN1CCc2cn[nH]c2C1 ZINC000611273686 347761995 /nfs/dbraw/zinc/76/19/95/347761995.db2.gz QPHLCBSBYJWKJX-HWKANZROSA-N 0 3 284.319 2.389 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612134771 347848535 /nfs/dbraw/zinc/84/85/35/347848535.db2.gz CRALIIMQZZFCIC-UEEZHKSASA-N 0 3 276.336 2.359 20 5 CEBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000351943331 219257223 /nfs/dbraw/zinc/25/72/23/219257223.db2.gz GBPPCIBVZZVIGU-QWHCGFSZSA-N 0 3 277.368 2.162 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000459748452 290226309 /nfs/dbraw/zinc/22/63/09/290226309.db2.gz XBZMWONZLZNRHX-OLZOCXBDSA-N 0 3 250.298 2.252 20 5 CEBDHN COc1cc(CN2C[C@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339621987 215272912 /nfs/dbraw/zinc/27/29/12/215272912.db2.gz WPWMSXTWRPUGJV-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000107692028 186186211 /nfs/dbraw/zinc/18/62/11/186186211.db2.gz YGAOKTZIFIBGAQ-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN CCC[C@@H](N[C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018667 186345211 /nfs/dbraw/zinc/34/52/11/186345211.db2.gz URWVKBMRHJBSTL-GXTWGEPZSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000070445254 363083017 /nfs/dbraw/zinc/08/30/17/363083017.db2.gz NYUHAAUMBXSYAN-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000123683848 187104325 /nfs/dbraw/zinc/10/43/25/187104325.db2.gz CQWCCLYYAWPQAZ-DGCLKSJQSA-N 0 3 291.351 2.150 20 5 CEBDHN C[C@@H](NC(=O)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000072986869 363189842 /nfs/dbraw/zinc/18/98/42/363189842.db2.gz ZUHMUDDBYQDERN-LLVKDONJSA-N 0 3 291.351 2.114 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCC1 ZINC000292214663 198203969 /nfs/dbraw/zinc/20/39/69/198203969.db2.gz UMELQWSXVSICQX-UHFFFAOYSA-N 0 3 268.288 2.081 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000153160903 188067782 /nfs/dbraw/zinc/06/77/82/188067782.db2.gz IBPICQGIIIDRHJ-WDEREUQCSA-N 0 3 282.340 2.273 20 5 CEBDHN COCCN(CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153742658 188100429 /nfs/dbraw/zinc/10/04/29/188100429.db2.gz LRWUQZLHAGKTLL-OAHLLOKOSA-N 0 3 296.367 2.233 20 5 CEBDHN CCOc1ccc([C@H](C)NCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000153804139 188104537 /nfs/dbraw/zinc/10/45/37/188104537.db2.gz QRSWMTGSVWOFKB-MNOVXSKESA-N 0 3 282.340 2.415 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451544150 283028061 /nfs/dbraw/zinc/02/80/61/283028061.db2.gz MJAYNHFWZPOTKO-DOMZBBRYSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000295325538 199461177 /nfs/dbraw/zinc/46/11/77/199461177.db2.gz ZFZZFXJFTBSPAC-QWRGUYRKSA-N 0 3 291.351 2.221 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778812 191320202 /nfs/dbraw/zinc/32/02/02/191320202.db2.gz KNLZXHGYWBKGGC-TZMCWYRMSA-N 0 3 296.367 2.340 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@H](O)C1 ZINC000452101024 283187376 /nfs/dbraw/zinc/18/73/76/283187376.db2.gz RJYBNWXBKKBBFR-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN COc1cc(CN2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452118966 283193710 /nfs/dbraw/zinc/19/37/10/283193710.db2.gz KFJOCIIYFWVDFA-LBPRGKRZSA-N 0 3 294.351 2.198 20 5 CEBDHN CO[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076344493 363538760 /nfs/dbraw/zinc/53/87/60/363538760.db2.gz PFPUJXBAKIGPOZ-AWEZNQCLSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H](CO)[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000134980243 366381098 /nfs/dbraw/zinc/38/10/98/366381098.db2.gz VFGUXTDJEXRYPI-IUCAKERBSA-N 0 3 272.732 2.355 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000294790517 199184740 /nfs/dbraw/zinc/18/47/40/199184740.db2.gz LYSSYBHSQGFSMM-GFCCVEGCSA-N 0 3 268.288 2.391 20 5 CEBDHN C[C@@H]1CCC[C@H](CO)N1Cc1cccc([N+](=O)[O-])c1 ZINC000136166188 366500210 /nfs/dbraw/zinc/50/02/10/366500210.db2.gz GMMTWNLWFKGLKV-BXUZGUMPSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890223 366528815 /nfs/dbraw/zinc/52/88/15/366528815.db2.gz VEEJPWXJLXZWLH-IAQYHMDHSA-N 0 3 287.319 2.374 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1OCCN1CCCCC1 ZINC000138173737 366550459 /nfs/dbraw/zinc/55/04/59/366550459.db2.gz XESIJDHFTKMKAJ-UHFFFAOYSA-N 0 3 280.324 2.468 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN(c3ccncc3)CC2)cc1 ZINC000148476852 366581539 /nfs/dbraw/zinc/58/15/39/366581539.db2.gz JDZPEVAFYGWIGV-UHFFFAOYSA-N 0 3 298.346 2.312 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)CN2CCCCC2)c1 ZINC000151916498 366675561 /nfs/dbraw/zinc/67/55/61/366675561.db2.gz YPRDLMVVXHRVSQ-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN CCN1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337667 283530241 /nfs/dbraw/zinc/53/02/41/283530241.db2.gz ZRIGWMVVYAPXHX-VXGBXAGGSA-N 0 3 291.351 2.175 20 5 CEBDHN C[C@H](NCCc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000341872674 216133897 /nfs/dbraw/zinc/13/38/97/216133897.db2.gz HFNOVEHZEOMJAP-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN CC(C)N1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000177054247 189024893 /nfs/dbraw/zinc/02/48/93/189024893.db2.gz CWSMXOBMZDXFFD-ONGXEEELSA-N 0 3 297.380 2.115 20 5 CEBDHN Cc1c(CN(C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178360484 189110032 /nfs/dbraw/zinc/11/00/32/189110032.db2.gz OGPOKJDSYSKEIA-LBPRGKRZSA-N 0 3 264.325 2.372 20 5 CEBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301616935 201096867 /nfs/dbraw/zinc/09/68/67/201096867.db2.gz CGJOOINEYYABIC-UHFFFAOYSA-N 0 3 278.356 2.219 20 5 CEBDHN CS[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340204998 366803683 /nfs/dbraw/zinc/80/36/83/366803683.db2.gz RJVXRUCVYLZTKF-QWHCGFSZSA-N 0 3 281.381 2.077 20 5 CEBDHN CN1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302043915 201315699 /nfs/dbraw/zinc/31/56/99/201315699.db2.gz XFVKRYWBBZMBBC-VIFPVBQESA-N 0 3 255.343 2.410 20 5 CEBDHN CCOCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000093317622 364163367 /nfs/dbraw/zinc/16/33/67/364163367.db2.gz ZIILEDLQOCUWPQ-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1[N+](=O)[O-] ZINC000093479722 364190392 /nfs/dbraw/zinc/19/03/92/364190392.db2.gz LKHZTHDZURQOCP-MZBDJJRSSA-N 0 3 290.363 2.496 20 5 CEBDHN CC[C@@H](C)[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000112379442 364802916 /nfs/dbraw/zinc/80/29/16/364802916.db2.gz WINXGDGIGCXMPU-BXUZGUMPSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCn1ccnc1 ZINC000582132112 366868160 /nfs/dbraw/zinc/86/81/60/366868160.db2.gz BAAOAALUVUDBGH-CYBMUJFWSA-N 0 3 272.308 2.068 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119865743 365337326 /nfs/dbraw/zinc/33/73/26/365337326.db2.gz LPAFFZMTHIAYDN-LLVKDONJSA-N 0 3 282.365 2.411 20 5 CEBDHN CC[C@H](Cn1cncn1)NCc1cccc([N+](=O)[O-])c1C ZINC000340508422 366913326 /nfs/dbraw/zinc/91/33/26/366913326.db2.gz UQIBRFBKSZWFON-CYBMUJFWSA-N 0 3 289.339 2.063 20 5 CEBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341204050 367219547 /nfs/dbraw/zinc/21/95/47/367219547.db2.gz OZDGQHZCVBYSMF-JQWIXIFHSA-N 0 3 292.339 2.199 20 5 CEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597922507 367209673 /nfs/dbraw/zinc/20/96/73/367209673.db2.gz FEDFCVCWNIFRBJ-LLVKDONJSA-N 0 3 291.351 2.197 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000171823982 367622260 /nfs/dbraw/zinc/62/22/60/367622260.db2.gz YJAIUMOSJWDDAM-UHFFFAOYSA-N 0 3 264.325 2.453 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000343245254 367722705 /nfs/dbraw/zinc/72/27/05/367722705.db2.gz BZDKGOOQORRZRJ-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343520120 367860389 /nfs/dbraw/zinc/86/03/89/367860389.db2.gz LFTFQYMAEVCEEY-RISCZKNCSA-N 0 3 291.351 2.116 20 5 CEBDHN CC(C)COC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346081 367901172 /nfs/dbraw/zinc/90/11/72/367901172.db2.gz IBZPLINGSPAJEM-DOMZBBRYSA-N 0 3 296.367 2.279 20 5 CEBDHN CCN(C)C(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181828661 368498436 /nfs/dbraw/zinc/49/84/36/368498436.db2.gz QTLBYIPYOQLWID-GFCCVEGCSA-N 0 3 293.367 2.422 20 5 CEBDHN COCCOC[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198706 370948543 /nfs/dbraw/zinc/94/85/43/370948543.db2.gz YVRAPFGZEOJQJG-NWDGAFQWSA-N 0 3 282.340 2.297 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@@H](O)C2)c(Cl)c1 ZINC000188847305 369417778 /nfs/dbraw/zinc/41/77/78/369417778.db2.gz ROQKPGDXDRDZKC-JOYOIKCWSA-N 0 3 284.743 2.499 20 5 CEBDHN CO[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000190931166 369662512 /nfs/dbraw/zinc/66/25/12/369662512.db2.gz IWZBWTHAUYXRQO-UWVGGRQHSA-N 0 3 256.327 2.313 20 5 CEBDHN CCOc1cc(CN(C)[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352667186 369824551 /nfs/dbraw/zinc/82/45/51/369824551.db2.gz JGRBMMZNNTWEAL-JSGCOSHPSA-N 0 3 294.351 2.339 20 5 CEBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000193505514 369949872 /nfs/dbraw/zinc/94/98/72/369949872.db2.gz GJNVYGGXDKXWNT-WCQYABFASA-N 0 3 292.335 2.335 20 5 CEBDHN COc1cc(CN[C@@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352881322 369929935 /nfs/dbraw/zinc/92/99/35/369929935.db2.gz IYZJFKNOZOXFJY-AWEZNQCLSA-N 0 3 282.340 2.100 20 5 CEBDHN COC(=O)C(C)(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000352901608 369942339 /nfs/dbraw/zinc/94/23/39/369942339.db2.gz XVYJQMLZIRBMSE-UHFFFAOYSA-N 0 3 280.324 2.274 20 5 CEBDHN COc1cc(NCCN2CCCC2)c([N+](=O)[O-])cc1OC ZINC000213841292 370170636 /nfs/dbraw/zinc/17/06/36/370170636.db2.gz VHUSBLZRGXWTHC-UHFFFAOYSA-N 0 3 295.339 2.120 20 5 CEBDHN COc1cc(NC[C@H](C)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000227537197 370372006 /nfs/dbraw/zinc/37/20/06/370372006.db2.gz ATWSENNZWINSPU-QMMMGPOBSA-N 0 3 271.292 2.105 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000236247273 370585734 /nfs/dbraw/zinc/58/57/34/370585734.db2.gz MVICCQZXZBTJHC-OCCSQVGLSA-N 0 3 280.299 2.391 20 5 CEBDHN CC(C)[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236742999 370617885 /nfs/dbraw/zinc/61/78/85/370617885.db2.gz RADMHVQLZKCMDI-AWEZNQCLSA-N 0 3 293.367 2.017 20 5 CEBDHN CC[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)N1CCCC1 ZINC000360966351 371569059 /nfs/dbraw/zinc/56/90/59/371569059.db2.gz PBVOTEXBGPVFQW-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000255361182 371580000 /nfs/dbraw/zinc/58/00/00/371580000.db2.gz VJLQIYHMRCGOPK-DAXSKMNVSA-N 0 3 286.335 2.437 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCC[C@H](C)C1 ZINC000267221062 372061517 /nfs/dbraw/zinc/06/15/17/372061517.db2.gz NTXQTVIZVYTIKC-NSHDSACASA-N 0 3 278.356 2.442 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000269129494 372350485 /nfs/dbraw/zinc/35/04/85/372350485.db2.gz UZVJTJXGKIHVRE-GXFFZTMASA-N 0 3 279.340 2.064 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000269129496 372351208 /nfs/dbraw/zinc/35/12/08/372351208.db2.gz UZVJTJXGKIHVRE-ZWNOBZJWSA-N 0 3 279.340 2.064 20 5 CEBDHN C[C@]1(CNCc2csc([N+](=O)[O-])c2)CCOC1 ZINC000344371185 217172103 /nfs/dbraw/zinc/17/21/03/217172103.db2.gz BSBJSIZZHPNGND-LLVKDONJSA-N 0 3 256.327 2.173 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000269658271 372522881 /nfs/dbraw/zinc/52/28/81/372522881.db2.gz NSPMBMGRLJJJSE-CYBMUJFWSA-N 0 3 266.341 2.434 20 5 CEBDHN C[C@H]1CCC[C@H](CO)N1Cc1ccccc1[N+](=O)[O-] ZINC000269720824 372546987 /nfs/dbraw/zinc/54/69/87/372546987.db2.gz UKSRJUOJJUXYQQ-WCQYABFASA-N 0 3 264.325 2.330 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000270107103 372667414 /nfs/dbraw/zinc/66/74/14/372667414.db2.gz MBXBAKZUHQXINV-JSGCOSHPSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1c(CN(C)C[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000270104928 372667929 /nfs/dbraw/zinc/66/79/29/372667929.db2.gz LRJVKJBYNQAVKX-UKRRQHHQSA-N 0 3 278.352 2.496 20 5 CEBDHN CC(C)(C)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364335371 372730741 /nfs/dbraw/zinc/73/07/41/372730741.db2.gz ILTGTKGYBXYARW-LLVKDONJSA-N 0 3 266.345 2.474 20 5 CEBDHN CN(C)C(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270725642 372920873 /nfs/dbraw/zinc/92/08/73/372920873.db2.gz FKTQXKWEBDQHOV-UHFFFAOYSA-N 0 3 291.351 2.038 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCOC1 ZINC000344811667 217318573 /nfs/dbraw/zinc/31/85/73/217318573.db2.gz MKYKACUTAUZNEU-YLBKJLTLSA-N 0 3 262.309 2.377 20 5 CEBDHN CC(C)N(C)CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272097105 373303501 /nfs/dbraw/zinc/30/35/01/373303501.db2.gz KSVHGRCITBEHDA-LLVKDONJSA-N 0 3 279.340 2.112 20 5 CEBDHN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272829794 373672177 /nfs/dbraw/zinc/67/21/77/373672177.db2.gz YGVVLQKJENPXCO-SECBINFHSA-N 0 3 295.364 2.037 20 5 CEBDHN CCOc1cc(CN2CC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276856132 374327297 /nfs/dbraw/zinc/32/72/97/374327297.db2.gz FRLYINIGOONSKN-RISCZKNCSA-N 0 3 294.351 2.196 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631170 374586142 /nfs/dbraw/zinc/58/61/42/374586142.db2.gz YYZUNGBFPKIWTC-ONGXEEELSA-N 0 3 291.307 2.251 20 5 CEBDHN Cc1ccc(NC(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414667385 375907811 /nfs/dbraw/zinc/90/78/11/375907811.db2.gz XPMXBDPJCGICEK-QWRGUYRKSA-N 0 3 292.339 2.117 20 5 CEBDHN CC(=O)c1cc(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000287036161 376134048 /nfs/dbraw/zinc/13/40/48/376134048.db2.gz WGQNEGZOZRYIBC-UHFFFAOYSA-N 0 3 291.351 2.328 20 5 CEBDHN O=[N+]([O-])c1cnc(NCC23CCCN2CCC3)s1 ZINC000287853941 376329407 /nfs/dbraw/zinc/32/94/07/376329407.db2.gz SEJCJCJOILALPS-UHFFFAOYSA-N 0 3 268.342 2.092 20 5 CEBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330556552 377182520 /nfs/dbraw/zinc/18/25/20/377182520.db2.gz WEAVSTRDPFJVTJ-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000330563147 377185626 /nfs/dbraw/zinc/18/56/26/377185626.db2.gz JWBRSHATNCCOIN-FZMZJTMJSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1ccc(CN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000563545786 377247679 /nfs/dbraw/zinc/24/76/79/377247679.db2.gz QMWXWEHTJZMPRP-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN CCC[C@H](C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC000292828951 377302345 /nfs/dbraw/zinc/30/23/45/377302345.db2.gz XQHHDVOXIREPJC-LBPRGKRZSA-N 0 3 293.367 2.237 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@]2(CCN(C)C2)C1 ZINC000564665993 377427804 /nfs/dbraw/zinc/42/78/04/377427804.db2.gz CJWWNPXPCYEBOI-HNNXBMFYSA-N 0 3 291.351 2.135 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1 ZINC000332200516 377539485 /nfs/dbraw/zinc/53/94/85/377539485.db2.gz DESNSXYSQRITRX-KCQAQPDRSA-N 0 3 276.336 2.188 20 5 CEBDHN CCN(CC)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295401658 378139206 /nfs/dbraw/zinc/13/92/06/378139206.db2.gz RMUWASCGJYGETJ-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C[C@H](C)C1 ZINC000449780828 378230457 /nfs/dbraw/zinc/23/04/57/378230457.db2.gz VYFANUKHNMBZFZ-IINYFYTJSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1nc(N(CCN(C)C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000450498743 378451352 /nfs/dbraw/zinc/45/13/52/378451352.db2.gz HZHXEALHNXQHAK-UHFFFAOYSA-N 0 3 293.371 2.004 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC1CC(F)(F)C1)CC2 ZINC000450700407 378538020 /nfs/dbraw/zinc/53/80/20/378538020.db2.gz ZFPCAASERAYWBJ-UHFFFAOYSA-N 0 3 283.278 2.393 20 5 CEBDHN C[C@H](NCCC1OCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000296759326 378639089 /nfs/dbraw/zinc/63/90/89/378639089.db2.gz QIBBQTMZMAEGIQ-JTQLQIEISA-N 0 3 266.297 2.008 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCO)C1CC1 ZINC000347351292 218200968 /nfs/dbraw/zinc/20/09/68/218200968.db2.gz DSIRNTGHBSHUFL-FMIVXFBMSA-N 0 3 276.336 2.455 20 5 CEBDHN CC(C)N(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000303989136 379505871 /nfs/dbraw/zinc/50/58/71/379505871.db2.gz KLMBZFQTRBUPMJ-LLVKDONJSA-N 0 3 252.314 2.186 20 5 CEBDHN Cc1nccn1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266860673 190285091 /nfs/dbraw/zinc/28/50/91/190285091.db2.gz LBLVIVVTICVRDS-NSHDSACASA-N 0 3 274.324 2.451 20 5 CEBDHN CC(C)N1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000347914950 218398286 /nfs/dbraw/zinc/39/82/86/218398286.db2.gz OERQLBGSNSQWPO-LBPRGKRZSA-N 0 3 291.351 2.197 20 5 CEBDHN C[C@H](NCCOC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481198 380253391 /nfs/dbraw/zinc/25/33/91/380253391.db2.gz WOVUVLPZFHWXDE-STQMWFEESA-N 0 3 294.351 2.441 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891205 380286349 /nfs/dbraw/zinc/28/63/49/380286349.db2.gz WQFRKPCXRLDEMU-GXTWGEPZSA-N 0 3 278.352 2.496 20 5 CEBDHN COc1cc(CN[C@H]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847725 380708040 /nfs/dbraw/zinc/70/80/40/380708040.db2.gz OZMYRMZEHMHGHY-GJZGRUSLSA-N 0 3 294.351 2.244 20 5 CEBDHN CO[C@]1(C)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235348 194344910 /nfs/dbraw/zinc/34/49/10/194344910.db2.gz FFSIAEVOWHYFQR-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1N1CC[C@H](N2CCCC2)C1 ZINC000302823453 285118958 /nfs/dbraw/zinc/11/89/58/285118958.db2.gz UTMTZBDGXNJYPK-LBPRGKRZSA-N 0 3 279.315 2.408 20 5 CEBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1CC(OC(C)(C)C)C1 ZINC000421020056 394466735 /nfs/dbraw/zinc/46/67/35/394466735.db2.gz YNSDYFSNLMAFBE-UHFFFAOYSA-N 0 3 296.371 2.069 20 5 CEBDHN C[C@@H](O)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405772 394639439 /nfs/dbraw/zinc/63/94/39/394639439.db2.gz IRINLVXCLMIAHI-DOMZBBRYSA-N 0 3 294.351 2.209 20 5 CEBDHN CN(C)C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000268178391 394691220 /nfs/dbraw/zinc/69/12/20/394691220.db2.gz MYCLKMLOANPXEB-NSHDSACASA-N 0 3 267.304 2.264 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414112197 394705884 /nfs/dbraw/zinc/70/58/84/394705884.db2.gz MWXOTSFZCRPZFL-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@H]2CCCC[C@@H]12 ZINC000360210205 394793306 /nfs/dbraw/zinc/79/33/06/394793306.db2.gz VNGCOCDJYLPVFI-WOPDTQHZSA-N 0 3 278.356 2.339 20 5 CEBDHN C[C@@H]1CC[C@@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123257064 394825310 /nfs/dbraw/zinc/82/53/10/394825310.db2.gz STJANSNMICGKQO-NXEZZACHSA-N 0 3 277.324 2.067 20 5 CEBDHN C[C@H](C1CCN(C)CC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000281917577 394875298 /nfs/dbraw/zinc/87/52/98/394875298.db2.gz NTRQDNSYBUCNDT-SECBINFHSA-N 0 3 284.385 2.218 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cnccc1N ZINC000423009854 394879976 /nfs/dbraw/zinc/87/99/76/394879976.db2.gz FDSUVEJSSHRBBY-NSHDSACASA-N 0 3 286.335 2.296 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000336840155 394881798 /nfs/dbraw/zinc/88/17/98/394881798.db2.gz PSTFBTFCFZMCBI-ONGXEEELSA-N 0 3 281.360 2.014 20 5 CEBDHN Cc1cc(NC(=O)N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000415451136 394933253 /nfs/dbraw/zinc/93/32/53/394933253.db2.gz ZUQZNHBDQOHWHR-GHMZBOCLSA-N 0 3 292.339 2.117 20 5 CEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335831 395020797 /nfs/dbraw/zinc/02/07/97/395020797.db2.gz LSRLQHPGIYIEBU-ZJUUUORDSA-N 0 3 282.369 2.114 20 5 CEBDHN CN(C)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000416305943 395051229 /nfs/dbraw/zinc/05/12/29/395051229.db2.gz YUGLMQLOMQJYDI-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CC(C)c1ccc(CN[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000345862360 395080233 /nfs/dbraw/zinc/08/02/33/395080233.db2.gz VPGMVXMGXRJCDD-JTQLQIEISA-N 0 3 279.340 2.072 20 5 CEBDHN COc1cc(CN[C@H]2CCOC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000433143692 395202736 /nfs/dbraw/zinc/20/27/36/395202736.db2.gz IEFXWIIBIDRWJC-SKDRFNHKSA-N 0 3 298.314 2.257 20 5 CEBDHN CC(C)[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000352892793 395274114 /nfs/dbraw/zinc/27/41/14/395274114.db2.gz MEZRLIXEJWARGZ-ZDUSSCGKSA-N 0 3 252.314 2.091 20 5 CEBDHN CC(C)[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000444772524 395453855 /nfs/dbraw/zinc/45/38/55/395453855.db2.gz NUUXBHBLRUXABJ-ZDUSSCGKSA-N 0 3 293.367 2.125 20 5 CEBDHN C[C@@H](N[C@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360825569 155381661 /nfs/dbraw/zinc/38/16/61/155381661.db2.gz OUMCGIGDLQCJHQ-IAQYHMDHSA-N 0 3 294.351 2.033 20 5 CEBDHN CCCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000224944285 153327434 /nfs/dbraw/zinc/32/74/34/153327434.db2.gz JCGMTBUPSMFVLB-NSHDSACASA-N 0 3 251.286 2.051 20 5 CEBDHN CC(C)(C)C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227373553 153343197 /nfs/dbraw/zinc/34/31/97/153343197.db2.gz AAGHCJMADUURGA-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1cccc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000227537422 153345886 /nfs/dbraw/zinc/34/58/86/153345886.db2.gz OVPUFXASCGFJRI-OLZOCXBDSA-N 0 3 291.351 2.178 20 5 CEBDHN C[C@@H]1COCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000366795120 156085259 /nfs/dbraw/zinc/08/52/59/156085259.db2.gz FPBCVXRNJUJBQI-LBPRGKRZSA-N 0 3 264.325 2.106 20 5 CEBDHN CS[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000275417571 286708734 /nfs/dbraw/zinc/70/87/34/286708734.db2.gz HEEVZSWMEAEYHM-CHWSQXEVSA-N 0 3 295.408 2.385 20 5 CEBDHN Cc1c(CN2CC[C@H](O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000159420444 162310144 /nfs/dbraw/zinc/31/01/44/162310144.db2.gz NEHFVPVXXSDCMD-YGRLFVJLSA-N 0 3 264.325 2.106 20 5 CEBDHN CO[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000251702676 162521147 /nfs/dbraw/zinc/52/11/47/162521147.db2.gz KAOQFAFUQVBSSQ-IUODEOHRSA-N 0 3 294.351 2.330 20 5 CEBDHN C[C@@H](NCCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293730941 287027533 /nfs/dbraw/zinc/02/75/33/287027533.db2.gz MYKQTGWJPKSIME-GFCCVEGCSA-N 0 3 292.383 2.314 20 5 CEBDHN CC(C)[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563898806 298808606 /nfs/dbraw/zinc/80/86/06/298808606.db2.gz RJIDACONJGLJRJ-QWHCGFSZSA-N 0 3 264.325 2.189 20 5 CEBDHN Cc1ccc([C@H](C)NCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000020125469 171008569 /nfs/dbraw/zinc/00/85/69/171008569.db2.gz HFUGZZZUOLMXGX-LBPRGKRZSA-N 0 3 293.367 2.326 20 5 CEBDHN CCCCN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000076951545 177134690 /nfs/dbraw/zinc/13/46/90/177134690.db2.gz PYIUGJZDLDLVJV-UHFFFAOYSA-N 0 3 282.340 2.068 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCC[C@@H]1O ZINC000077204994 177233325 /nfs/dbraw/zinc/23/33/25/177233325.db2.gz ZNDVQSLWEKYCDU-OCCSQVGLSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C(C)(C)C1 ZINC000448370579 261131221 /nfs/dbraw/zinc/13/12/21/261131221.db2.gz JKOQHFOKXCLQAC-ZDUSSCGKSA-N 0 3 264.325 2.106 20 5 CEBDHN CCOc1cc(CN2CC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488746709 262387536 /nfs/dbraw/zinc/38/75/36/262387536.db2.gz MRHAGVFYULVIEI-DGCLKSJQSA-N 0 3 294.351 2.196 20 5 CEBDHN CO[C@@H](CN(C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425448366 264325797 /nfs/dbraw/zinc/32/57/97/264325797.db2.gz UXOISSQRVPGXAA-HNNXBMFYSA-N 0 3 278.352 2.494 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395213158 270346278 /nfs/dbraw/zinc/34/62/78/270346278.db2.gz QOKOHWMXUPKBPV-QWHCGFSZSA-N 0 3 294.351 2.196 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1CCO ZINC000428453561 271269183 /nfs/dbraw/zinc/26/91/83/271269183.db2.gz PMRWANZVRIYQAU-ZRFDWSJLSA-N 0 3 276.336 2.455 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[C@H](C)O ZINC000430211745 271363799 /nfs/dbraw/zinc/36/37/99/271363799.db2.gz YPLPFMJCUAVPMD-AAEUAGOBSA-N 0 3 294.351 2.339 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@]1(C)CCO[C@H]1C ZINC000430232993 271365140 /nfs/dbraw/zinc/36/51/40/271365140.db2.gz JBLMEGNQTDZPTG-HZMBPMFUSA-N 0 3 280.324 2.261 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C)n1 ZINC000151483390 276234418 /nfs/dbraw/zinc/23/44/18/276234418.db2.gz NYHLWPHUFYCIBR-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN CCCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000174852477 276254600 /nfs/dbraw/zinc/25/46/00/276254600.db2.gz UKRXLYWVNLFICT-AWEZNQCLSA-N 0 3 296.371 2.072 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1c([N+](=O)[O-])ncn1C ZINC000341135922 278494114 /nfs/dbraw/zinc/49/41/14/278494114.db2.gz ZAIDVHVJMGRFTD-GHMZBOCLSA-N 0 3 281.360 2.003 20 5 CEBDHN Cc1cnc(N2C[C@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286322447 279016842 /nfs/dbraw/zinc/01/68/42/279016842.db2.gz KYUBIYNTGRGUHD-CHWSQXEVSA-N 0 3 290.367 2.361 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249278194 280390763 /nfs/dbraw/zinc/39/07/63/280390763.db2.gz LUVCGCWYJSNYRU-VHSXEESVSA-N 0 3 284.385 2.218 20 5 CEBDHN C[C@@H](NCCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000401887837 289289082 /nfs/dbraw/zinc/28/90/82/289289082.db2.gz VDRPBGHFKQRNPW-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CN(C)C ZINC000455195751 289434893 /nfs/dbraw/zinc/43/48/93/289434893.db2.gz RLRVHEKOTRIWDE-UHFFFAOYSA-N 0 3 294.355 2.365 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391396 290134295 /nfs/dbraw/zinc/13/42/95/290134295.db2.gz UVTOYIVAKJNKNZ-AAEUAGOBSA-N 0 3 291.351 2.080 20 5 CEBDHN C[C@@H]1C[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343584 290391382 /nfs/dbraw/zinc/39/13/82/290391382.db2.gz GCUGQPXMFIGSHM-OLZOCXBDSA-N 0 3 275.352 2.373 20 5 CEBDHN C[C@@H](NCCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712038 298117220 /nfs/dbraw/zinc/11/72/20/298117220.db2.gz CQSBGJNHODXHIE-DOMZBBRYSA-N 0 3 294.351 2.441 20 5 CEBDHN COC(=O)CC1(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000570284628 314032219 /nfs/dbraw/zinc/03/22/19/314032219.db2.gz IFKDWFVCMHWHIE-XQRVVYSFSA-N 0 3 290.319 2.293 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000577606687 314394593 /nfs/dbraw/zinc/39/45/93/314394593.db2.gz GSLDUBVNJRWICV-OCCSQVGLSA-N 0 3 292.335 2.084 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(O)CCC1 ZINC000579140510 314554778 /nfs/dbraw/zinc/55/47/78/314554778.db2.gz HCGNIAMSBZXWOU-GFCCVEGCSA-N 0 3 262.309 2.087 20 5 CEBDHN CCOC(C)(C)CNCc1cccc([N+](=O)[O-])c1 ZINC000159207735 500700303 /nfs/dbraw/zinc/70/03/03/500700303.db2.gz MJOPEZGMTSVFBS-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN CC(=O)NC1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000263655762 534841623 /nfs/dbraw/zinc/84/16/23/534841623.db2.gz FWQFSTWOBHFARJ-UHFFFAOYSA-N 0 3 297.380 2.193 20 5 CEBDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804523 525634584 /nfs/dbraw/zinc/63/45/84/525634584.db2.gz OUNXMGCQEOVKSK-DDTOSNHZSA-N 0 3 291.351 2.290 20 5 CEBDHN CN1CCC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740004265 574938738 /nfs/dbraw/zinc/93/87/38/574938738.db2.gz MEZZTYRKUSKYDK-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccs2)c1 ZINC000749645863 575228495 /nfs/dbraw/zinc/22/84/95/575228495.db2.gz IILSZLQFXFXWDE-CYBMUJFWSA-N 0 3 278.333 2.480 20 5 CEBDHN CCN(CC1CC1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952556 575241128 /nfs/dbraw/zinc/24/11/28/575241128.db2.gz IEAILLWDXYEYCK-UHFFFAOYSA-N 0 3 289.339 2.337 20 5 CEBDHN CS[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813107111 623026633 /nfs/dbraw/zinc/02/66/33/623026633.db2.gz JWDZLSVHDJQRNR-MWLCHTKSSA-N 0 3 269.322 2.299 20 5 CEBDHN COc1cccc([C@@H](C)CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107087 623026865 /nfs/dbraw/zinc/02/68/65/623026865.db2.gz JKTJRYLHZPIZHN-QWRGUYRKSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)CCCc1ccccc1)[N+](=O)[O-] ZINC000813110667 623044121 /nfs/dbraw/zinc/04/41/21/623044121.db2.gz HEDFVWSRJQXCCF-NSHDSACASA-N 0 3 251.282 2.218 20 5 CEBDHN CC(COC(=O)c1ccccc1OC(F)F)[N+](=O)[O-] ZINC000813111931 623051227 /nfs/dbraw/zinc/05/12/27/623051227.db2.gz LSSGJPLCEJZHFG-SSDOTTSWSA-N 0 3 275.207 2.110 20 5 CEBDHN CC1(CNCc2cc([N+](=O)[O-])ccc2Cl)COC1 ZINC000083523061 623346391 /nfs/dbraw/zinc/34/63/91/623346391.db2.gz FGGJKDAOFBSALW-UHFFFAOYSA-N 0 3 270.716 2.374 20 5 CEBDHN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000311630471 627684548 /nfs/dbraw/zinc/68/45/48/627684548.db2.gz JBCZWFZGHSVREP-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@]1(C)c1ccccc1)[N+](=O)[O-] ZINC000893044462 627964396 /nfs/dbraw/zinc/96/43/96/627964396.db2.gz IZTRVDOZRIQXJR-VHRBIJSZSA-N 0 3 263.293 2.173 20 5 CEBDHN Cc1oc(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000821166931 634644842 /nfs/dbraw/zinc/64/48/42/634644842.db2.gz KPOWRHAXOXOTFU-RXMQYKEDSA-N 0 3 292.085 2.173 20 5 CEBDHN CC1(C)COC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000313026324 628575607 /nfs/dbraw/zinc/57/56/07/628575607.db2.gz NLVJPTPWPCTSPK-LBPRGKRZSA-N 0 3 268.288 2.249 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000894413698 629445249 /nfs/dbraw/zinc/44/52/49/629445249.db2.gz NOTDHYHSLFQHKT-WPRPVWTQSA-N 0 3 298.364 2.150 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CSC[C@@H]2C)c1[N+](=O)[O-] ZINC000894413698 629445251 /nfs/dbraw/zinc/44/52/51/629445251.db2.gz NOTDHYHSLFQHKT-WPRPVWTQSA-N 0 3 298.364 2.150 20 5 CEBDHN COC(=O)CC(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801523993 631280685 /nfs/dbraw/zinc/28/06/85/631280685.db2.gz NGNOUKBKQXFWCT-UHFFFAOYSA-N 0 3 284.287 2.165 20 5 CEBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545000 631286445 /nfs/dbraw/zinc/28/64/45/631286445.db2.gz XVMHEACBFQRXJH-JSGCOSHPSA-N 0 3 298.314 2.018 20 5 CEBDHN Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000925305346 631759706 /nfs/dbraw/zinc/75/97/06/631759706.db2.gz BWXJHDFOMRBWEA-CMPLNLGQSA-N 0 3 292.339 2.117 20 5 CEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cn(C)cn1 ZINC000898043547 632035579 /nfs/dbraw/zinc/03/55/79/632035579.db2.gz TWOVBNHBXCFBIF-GFCCVEGCSA-N 0 3 288.351 2.439 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000898393380 632478608 /nfs/dbraw/zinc/47/86/08/632478608.db2.gz REGGBKMXJVXBBV-HOTGVXAUSA-N 0 3 284.315 2.343 20 5 CEBDHN CC(COC(=O)[C@H](C)c1c(F)cccc1F)[N+](=O)[O-] ZINC000813104358 632622679 /nfs/dbraw/zinc/62/26/79/632622679.db2.gz ZCXYSPLMMSRMSB-JGVFFNPUSA-N 0 3 273.235 2.277 20 5 CEBDHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813103714 632622788 /nfs/dbraw/zinc/62/27/88/632622788.db2.gz GFKPSBAPOSTFPJ-SECBINFHSA-N 0 3 265.265 2.020 20 5 CEBDHN CC(COC(=O)c1cccc2c1OCC2(C)C)[N+](=O)[O-] ZINC000813105188 632623326 /nfs/dbraw/zinc/62/33/26/632623326.db2.gz WUTDHNOUHULCGS-SECBINFHSA-N 0 3 279.292 2.179 20 5 CEBDHN CCc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105125 632623764 /nfs/dbraw/zinc/62/37/64/632623764.db2.gz VXDRTBCMAHYVAI-LLVKDONJSA-N 0 3 265.309 2.390 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnc2ccccc12 ZINC000813106138 632623953 /nfs/dbraw/zinc/62/39/53/632623953.db2.gz ZELRBEDORMHFQY-VIFPVBQESA-N 0 3 274.276 2.365 20 5 CEBDHN COc1ccccc1[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813106750 632624897 /nfs/dbraw/zinc/62/48/97/632624897.db2.gz HJUMIAWGLLHDPU-GHMZBOCLSA-N 0 3 281.308 2.397 20 5 CEBDHN Cc1cc(C)cc(OCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813108198 632625450 /nfs/dbraw/zinc/62/54/50/632625450.db2.gz VHCQTLAJGMJAIP-LBPRGKRZSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)CCCOCc1ccccc1)[N+](=O)[O-] ZINC000813108816 632625534 /nfs/dbraw/zinc/62/55/34/632625534.db2.gz AVFBAAAQCMYKHI-LBPRGKRZSA-N 0 3 281.308 2.192 20 5 CEBDHN CC(COC(=O)c1cc(F)cc(Cl)c1)[N+](=O)[O-] ZINC000813108598 632625784 /nfs/dbraw/zinc/62/57/84/632625784.db2.gz IASTZMADJVMVAE-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN CCCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1CC ZINC000813112354 632627238 /nfs/dbraw/zinc/62/72/38/632627238.db2.gz FWYWVRUHHVXVME-JTQLQIEISA-N 0 3 283.328 2.068 20 5 CEBDHN CC(COC(=O)C[C@@H](C)C(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813111673 632627457 /nfs/dbraw/zinc/62/74/57/632627457.db2.gz VZNLTARBQSBRLZ-ZJUUUORDSA-N 0 3 297.282 2.243 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCC=C2)[N+](=O)[O-] ZINC000813110867 632627588 /nfs/dbraw/zinc/62/75/88/632627588.db2.gz KZBKEDVCNGOLJA-SNVBAGLBSA-N 0 3 261.277 2.468 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[N+](=O)[O-] ZINC000813111496 632627674 /nfs/dbraw/zinc/62/76/74/632627674.db2.gz IONODVXCMMOBEQ-HRDYMLBCSA-N 0 3 285.246 2.277 20 5 CEBDHN CC(COC(=O)CCCOc1cccc(F)c1)[N+](=O)[O-] ZINC000813112486 632627853 /nfs/dbraw/zinc/62/78/53/632627853.db2.gz QQIHQOGDHLOFAD-JTQLQIEISA-N 0 3 285.271 2.193 20 5 CEBDHN CC(COC(=O)CCc1ncc(C(C)(C)C)o1)[N+](=O)[O-] ZINC000813113030 632628125 /nfs/dbraw/zinc/62/81/25/632628125.db2.gz WOIVTVFPKCNPNU-SECBINFHSA-N 0 3 284.312 2.113 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813115052 632629546 /nfs/dbraw/zinc/62/95/46/632629546.db2.gz ZRXKIOYRRYJKMB-ZJUUUORDSA-N 0 3 269.272 2.213 20 5 CEBDHN O=[N+]([O-])CCNCCc1ccc(C(F)(F)F)cc1 ZINC000899861132 633056247 /nfs/dbraw/zinc/05/62/47/633056247.db2.gz WJFPHMIXGPGSRB-UHFFFAOYSA-N 0 3 262.231 2.114 20 5 CEBDHN CC(COC(=O)COc1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000816090978 633115777 /nfs/dbraw/zinc/11/57/77/633115777.db2.gz GGWKPANBIRZMDP-ZETCQYMHSA-N 0 3 291.662 2.066 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000817131513 633590662 /nfs/dbraw/zinc/59/06/62/633590662.db2.gz BNJGFHHUEZUSGO-SNVBAGLBSA-N 0 3 294.311 2.033 20 5 CEBDHN COc1cc([C@@H](C)N[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000903092782 634975173 /nfs/dbraw/zinc/97/51/73/634975173.db2.gz LWVWPNOKMBPGGH-PWSUYJOCSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2CO[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194435 635005658 /nfs/dbraw/zinc/00/56/58/635005658.db2.gz MZWVTNMSCVICKH-SCVCMEIPSA-N 0 3 280.324 2.431 20 5 CEBDHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903286930 635051585 /nfs/dbraw/zinc/05/15/85/635051585.db2.gz JPKQSESOGLSPPT-UMNHJUIQSA-N 0 3 250.298 2.423 20 5 CEBDHN COC[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832616347 637621471 /nfs/dbraw/zinc/62/14/71/637621471.db2.gz WXZFDNYKULLRFH-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H]2C2CC2)cc1 ZINC000834382183 637806555 /nfs/dbraw/zinc/80/65/55/637806555.db2.gz FTTLXGKGXRUIRO-ZIAGYGMSSA-N 0 3 262.309 2.113 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c2c1CCC2 ZINC000835453883 638261912 /nfs/dbraw/zinc/26/19/12/638261912.db2.gz HRPFZTWSTBDFAQ-SNVBAGLBSA-N 0 3 263.293 2.306 20 5 CEBDHN C[C@@H](N[C@H]1CCO[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000226439166 639545539 /nfs/dbraw/zinc/54/55/39/639545539.db2.gz KYRCECLEBXAOLL-FOGDFJRCSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@@H](O)C[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105826 639617806 /nfs/dbraw/zinc/61/78/06/639617806.db2.gz WDPCQEHZVDOJNS-RKDXNWHRSA-N 0 3 272.732 2.497 20 5 CEBDHN C[C@@H](NC[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203417 639745764 /nfs/dbraw/zinc/74/57/64/639745764.db2.gz XKDONDMXVOMPAU-GHMZBOCLSA-N 0 3 280.324 2.397 20 5 CEBDHN C[C@H](CCO)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844449076 640730460 /nfs/dbraw/zinc/73/04/60/640730460.db2.gz IIYXCWAIHJIACX-SECBINFHSA-N 0 3 272.732 2.451 20 5 CEBDHN CC(COC(=O)[C@@H]1CSC[C@H]1c1ccccc1)[N+](=O)[O-] ZINC000845575908 641002390 /nfs/dbraw/zinc/00/23/90/641002390.db2.gz JAHGGCSAJZLIBW-WCFLWFBJSA-N 0 3 295.360 2.342 20 5 CEBDHN Cc1noc(CNC(C)(C)C2CCOCC2)c1[N+](=O)[O-] ZINC000851994040 643257493 /nfs/dbraw/zinc/25/74/93/643257493.db2.gz MGOURGXBPZSBEW-UHFFFAOYSA-N 0 3 283.328 2.186 20 5 CEBDHN CCOCCOCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000922940548 643464595 /nfs/dbraw/zinc/46/45/95/643464595.db2.gz CESXCARHUPJMCM-UHFFFAOYSA-N 0 3 282.340 2.046 20 5 CEBDHN Cc1ccc(CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000860777594 645902831 /nfs/dbraw/zinc/90/28/31/645902831.db2.gz QWACNQCCBQIRRP-NWDGAFQWSA-N 0 3 281.308 2.109 20 5 CEBDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128798 649287157 /nfs/dbraw/zinc/28/71/57/649287157.db2.gz WXWCXTRZODJRRM-XRRVDJEJSA-N 0 3 292.335 2.443 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202469 649313563 /nfs/dbraw/zinc/31/35/63/649313563.db2.gz JJRIRAILXBESQE-WCQYABFASA-N 0 3 296.367 2.076 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000873130383 649565100 /nfs/dbraw/zinc/56/51/00/649565100.db2.gz CVFXWJJDGXXPQQ-ZYHUDNBSSA-N 0 3 288.294 2.397 20 5 CEBDHN CO[C@@]1(C)C[C@H]1NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873139265 649567369 /nfs/dbraw/zinc/56/73/69/649567369.db2.gz ZTAFWSXMJRBEFL-KGLIPLIRSA-N 0 3 264.325 2.479 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)CC2CC2)cc1[N+](=O)[O-] ZINC000884171352 652740160 /nfs/dbraw/zinc/74/01/60/652740160.db2.gz STTQMYKBARJVST-GWCFXTLKSA-N 0 3 291.351 2.208 20 5 CEBDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CC1 ZINC000696078124 807134817 /nfs/dbraw/zinc/13/48/17/807134817.db2.gz CSKLJIVAZFIRNO-VIFPVBQESA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@]13CCOC3)CC2 ZINC001119434929 810475629 /nfs/dbraw/zinc/47/56/29/810475629.db2.gz JERXHFZQXWWOKR-HOCLYGCPSA-N 0 3 288.347 2.380 20 5 CEBDHN Cc1cccc2c1[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966480 811319544 /nfs/dbraw/zinc/31/95/44/811319544.db2.gz IMKBUXWQPNYMAN-GYSYKLTISA-N 0 3 289.335 2.023 20 5 CEBDHN CC(=O)[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969526 811320694 /nfs/dbraw/zinc/32/06/94/811320694.db2.gz FEAVULIGNJXEAO-SNPRPXQTSA-N 0 3 276.336 2.352 20 5 CEBDHN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)c1cnccn1 ZINC001169534237 811557895 /nfs/dbraw/zinc/55/78/95/811557895.db2.gz QZFUIEUKSOXGBE-VIFPVBQESA-N 0 3 285.307 2.161 20 5 CEBDHN COc1ccc(C[C@@H](C)n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001170298376 812377225 /nfs/dbraw/zinc/37/72/25/812377225.db2.gz KLFDKFDLXCUZFX-SNVBAGLBSA-N 0 3 290.323 2.062 20 5 CEBDHN CCN1CC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000712548731 814765927 /nfs/dbraw/zinc/76/59/27/814765927.db2.gz OBADQBOXOXROKR-QMMMGPOBSA-N 0 3 293.352 2.106 20 5 CEBDHN Cc1cc(CN)nn1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215101 815623537 /nfs/dbraw/zinc/62/35/37/815623537.db2.gz SBNKGCZFHDXFEG-SNVBAGLBSA-N 0 3 274.324 2.362 20 5 CEBDHN CCC1(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173217912 815624660 /nfs/dbraw/zinc/62/46/60/815624660.db2.gz NGQQXLBBMPMQDU-NSHDSACASA-N 0 3 264.325 2.294 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F ZINC000449092959 282097376 /nfs/dbraw/zinc/09/73/76/282097376.db2.gz NJLIAWUJKRRHGD-GZMMTYOYSA-N 0 3 292.257 2.039 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)(F)F ZINC000449092961 282097454 /nfs/dbraw/zinc/09/74/54/282097454.db2.gz NJLIAWUJKRRHGD-KWQFWETISA-N 0 3 292.257 2.039 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCC[C@H]1O ZINC000601320350 346819808 /nfs/dbraw/zinc/81/98/08/346819808.db2.gz FSRNPUDSUQONJD-VNHYZAJKSA-N 0 3 276.336 2.475 20 5 CEBDHN CCC[C@](C)(N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766566 361932723 /nfs/dbraw/zinc/93/27/23/361932723.db2.gz JALXYDDMDIHGNN-HZMBPMFUSA-N 0 3 279.340 2.290 20 5 CEBDHN CC(C)C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000040774781 361997428 /nfs/dbraw/zinc/99/74/28/361997428.db2.gz SZUOZKLQTAUVOZ-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN Cc1cc(N(C)C[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000080605531 344016005 /nfs/dbraw/zinc/01/60/05/344016005.db2.gz IEFADEQUZYIQOX-LBPRGKRZSA-N 0 3 278.356 2.076 20 5 CEBDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879451 187203390 /nfs/dbraw/zinc/20/33/90/187203390.db2.gz WUHBMTIOERYVFK-WCQYABFASA-N 0 3 291.351 2.256 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000126002155 365694514 /nfs/dbraw/zinc/69/45/14/365694514.db2.gz PXRABQPIOHNJOE-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000047460257 343516589 /nfs/dbraw/zinc/51/65/89/343516589.db2.gz SBYFRKRXGAHYII-UHFFFAOYSA-N 0 3 288.307 2.237 20 5 CEBDHN CC[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCCC1 ZINC000066808811 343722392 /nfs/dbraw/zinc/72/23/92/343722392.db2.gz FZCYZPAJYVKRRL-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN CCO[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404583 343890285 /nfs/dbraw/zinc/89/02/85/343890285.db2.gz JTCZAUHRZCNHGB-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)cn1 ZINC000078433110 343952962 /nfs/dbraw/zinc/95/29/62/343952962.db2.gz LNIVUKKTUKUNHN-UHFFFAOYSA-N 0 3 262.313 2.029 20 5 CEBDHN C[C@H](O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927530 344131613 /nfs/dbraw/zinc/13/16/13/344131613.db2.gz IHWGIBNWCONVLN-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN COC1(CNCc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000123146896 344309150 /nfs/dbraw/zinc/30/91/50/344309150.db2.gz XCUBRIXRDRIWSZ-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1ccnc(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497347 344553453 /nfs/dbraw/zinc/55/34/53/344553453.db2.gz PHJOOSZOQRTXQO-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN CCn1ccnc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000051924049 362451097 /nfs/dbraw/zinc/45/10/97/362451097.db2.gz LNUSFEPWMNLUGN-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN CCCN1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401156501 344866545 /nfs/dbraw/zinc/86/65/45/344866545.db2.gz IPQDKCIJGOKBRE-SNVBAGLBSA-N 0 3 268.292 2.025 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])CCN1C ZINC000401151511 344866555 /nfs/dbraw/zinc/86/65/55/344866555.db2.gz FQVNWBJGOPIWDA-SCZZXKLOSA-N 0 3 268.292 2.024 20 5 CEBDHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301033 344872475 /nfs/dbraw/zinc/87/24/75/344872475.db2.gz JPKQSESOGLSPPT-SCVCMEIPSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071832 345037529 /nfs/dbraw/zinc/03/75/29/345037529.db2.gz CWJSBEJBSXFIMO-NWDGAFQWSA-N 0 3 276.340 2.053 20 5 CEBDHN CC[C@H](CN1CCCC1)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000588819010 345056400 /nfs/dbraw/zinc/05/64/00/345056400.db2.gz GIRLVLKDKJJTAV-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000591147469 345224984 /nfs/dbraw/zinc/22/49/84/345224984.db2.gz CODBXWCVKFJCTK-ZWNOBZJWSA-N 0 3 296.346 2.295 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCN1CCCCC1 ZINC000593517224 345501946 /nfs/dbraw/zinc/50/19/46/345501946.db2.gz QWBXENQMPQKOPK-UHFFFAOYSA-N 0 3 295.387 2.042 20 5 CEBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066257 345738856 /nfs/dbraw/zinc/73/88/56/345738856.db2.gz HBZXUOPRGYEXLC-MFKMUULPSA-N 0 3 276.336 2.333 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC/C=C/CO ZINC000595074885 345740003 /nfs/dbraw/zinc/74/00/03/345740003.db2.gz XKOHQMUJPACPKL-PGLGOXFNSA-N 0 3 250.298 2.102 20 5 CEBDHN CC[C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921479 345702623 /nfs/dbraw/zinc/70/26/23/345702623.db2.gz BWPWKYDJINYIOA-WCQYABFASA-N 0 3 280.324 2.131 20 5 CEBDHN CO[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594950986 345714739 /nfs/dbraw/zinc/71/47/39/345714739.db2.gz LQZICFUELVKVRY-ZFWWWQNUSA-N 0 3 294.351 2.044 20 5 CEBDHN COc1ccc(CN[C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000594973464 345720168 /nfs/dbraw/zinc/72/01/68/345720168.db2.gz CGPJPCFYZLXGLF-GFCCVEGCSA-N 0 3 292.335 2.405 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC(O)(C2CC2)C2CC2)c1 ZINC000594983946 345721537 /nfs/dbraw/zinc/72/15/37/345721537.db2.gz RRCPQHXPFITNIJ-UHFFFAOYSA-N 0 3 276.336 2.236 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC000595034354 345731547 /nfs/dbraw/zinc/73/15/47/345731547.db2.gz WPLVMIYXJGRCFM-FZZIBODNSA-N 0 3 294.351 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)C1CCC1 ZINC000595050728 345734922 /nfs/dbraw/zinc/73/49/22/345734922.db2.gz JSHQNHHMALWOJA-YGRLFVJLSA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000595829894 345888110 /nfs/dbraw/zinc/88/81/10/345888110.db2.gz JISYPWGZCMPXHR-STQMWFEESA-N 0 3 262.309 2.063 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595829375 345888433 /nfs/dbraw/zinc/88/84/33/345888433.db2.gz HJAQJOHZDGSILA-OLZOCXBDSA-N 0 3 262.309 2.063 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[C@@H]2C1 ZINC000595808048 345880092 /nfs/dbraw/zinc/88/00/92/345880092.db2.gz KTFQLEQEXDTYRP-VXGBXAGGSA-N 0 3 262.309 2.315 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875534 345904136 /nfs/dbraw/zinc/90/41/36/345904136.db2.gz QMKCGDHMHBXILO-RISCZKNCSA-N 0 3 264.325 2.045 20 5 CEBDHN CCC[NH+]1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596097156 345939550 /nfs/dbraw/zinc/93/95/50/345939550.db2.gz FOELOCCQWCDHOY-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596334583 346002082 /nfs/dbraw/zinc/00/20/82/346002082.db2.gz CRKKDUDKBDBKQL-VIFPVBQESA-N 0 3 282.319 2.414 20 5 CEBDHN COc1cc(C[NH2+]CC2CC=CC2)c([N+](=O)[O-])cc1[O-] ZINC000598991698 346443462 /nfs/dbraw/zinc/44/34/62/346443462.db2.gz BNNJNLAIGDTCNJ-UHFFFAOYSA-N 0 3 278.308 2.365 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)[C@H]1CCCO1 ZINC000599067299 346454725 /nfs/dbraw/zinc/45/47/25/346454725.db2.gz YZRODXFVMQWABU-NILFDRSVSA-N 0 3 294.351 2.094 20 5 CEBDHN CO[C@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000599093165 346459144 /nfs/dbraw/zinc/45/91/44/346459144.db2.gz PMUUTLQSOASCMV-IRUJWGPZSA-N 0 3 250.298 2.423 20 5 CEBDHN CCOc1cc(CN(C)CC2(C)COC2)ccc1[N+](=O)[O-] ZINC000599573506 346540616 /nfs/dbraw/zinc/54/06/16/346540616.db2.gz QZBDBJQTTDRZOV-UHFFFAOYSA-N 0 3 294.351 2.462 20 5 CEBDHN CCC[C@@H](CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601139760 346766173 /nfs/dbraw/zinc/76/61/73/346766173.db2.gz JFJMSHDXOSPNQD-LBPRGKRZSA-N 0 3 282.340 2.244 20 5 CEBDHN Cc1scc(CNCCn2cc([N+](=O)[O-])cn2)c1C ZINC000601110774 346755533 /nfs/dbraw/zinc/75/55/33/346755533.db2.gz ISBHAMBQJFSTGG-UHFFFAOYSA-N 0 3 280.353 2.259 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CC3(C2)CCOCC3)cc1 ZINC000602688092 347146966 /nfs/dbraw/zinc/14/69/66/347146966.db2.gz KNZGYXKEVSHECD-UHFFFAOYSA-N 0 3 276.336 2.250 20 5 CEBDHN C[C@@H]1CCC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602809313 347208461 /nfs/dbraw/zinc/20/84/61/347208461.db2.gz ATCIQBCTDUTDSN-CKYFFXLPSA-N 0 3 266.345 2.243 20 5 CEBDHN COC(=O)[C@@]1(C)CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602723339 347171364 /nfs/dbraw/zinc/17/13/64/347171364.db2.gz GQBDNJYSPYGNDQ-NHYWBVRUSA-N 0 3 292.335 2.226 20 5 CEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc[nH]1 ZINC000602729745 347174980 /nfs/dbraw/zinc/17/49/80/347174980.db2.gz CDQCAGXRPQQZJU-NSHDSACASA-N 0 3 274.324 2.429 20 5 CEBDHN CCC[C@@H](CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732114 347176363 /nfs/dbraw/zinc/17/63/63/347176363.db2.gz OGRDKDQNXDLJMS-GJZGRUSLSA-N 0 3 296.367 2.207 20 5 CEBDHN CC[C@](C)(CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733798 347177427 /nfs/dbraw/zinc/17/74/27/347177427.db2.gz WQUJTOLYWLBCSC-HUUCEWRRSA-N 0 3 296.367 2.207 20 5 CEBDHN CC(C)(NCCc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000602841920 347220827 /nfs/dbraw/zinc/22/08/27/347220827.db2.gz UKDWWUBKUUOEIX-UHFFFAOYSA-N 0 3 286.335 2.452 20 5 CEBDHN Cc1ncc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602954413 347255905 /nfs/dbraw/zinc/25/59/05/347255905.db2.gz DHZZUEVSEYXCPL-QMMMGPOBSA-N 0 3 295.368 2.215 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCC[C@H]2O)cs1 ZINC000085978271 179208692 /nfs/dbraw/zinc/20/86/92/179208692.db2.gz OHECHIXXRFLPFW-GHMZBOCLSA-N 0 3 270.354 2.297 20 5 CEBDHN CC[C@H](N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186106 347303495 /nfs/dbraw/zinc/30/34/95/347303495.db2.gz OXUOQBNPAZQHNR-CABZTGNLSA-N 0 3 275.312 2.205 20 5 CEBDHN CC[C@H](CN1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000609839865 347652318 /nfs/dbraw/zinc/65/23/18/347652318.db2.gz DHEJURNPDWGKRG-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CCN1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221673 347753402 /nfs/dbraw/zinc/75/34/02/347753402.db2.gz MEXBFGHZRKZXCA-NWDGAFQWSA-N 0 3 278.356 2.217 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)CC1CC1 ZINC000612580821 347903676 /nfs/dbraw/zinc/90/36/76/347903676.db2.gz UQLISRIPMLDBOS-CYBMUJFWSA-N 0 3 264.325 2.154 20 5 CEBDHN CC[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011377 179379404 /nfs/dbraw/zinc/37/94/04/179379404.db2.gz QXYKBWAEJGPLSD-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CN1CCN(CCNc2ccsc2[N+](=O)[O-])CC1(C)C ZINC000619651978 349209277 /nfs/dbraw/zinc/20/92/77/349209277.db2.gz NBZWEWLKVBTHIL-UHFFFAOYSA-N 0 3 298.412 2.094 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000412062966 233326621 /nfs/dbraw/zinc/32/66/21/233326621.db2.gz AWZMQLURJQANOF-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104953917 186034359 /nfs/dbraw/zinc/03/43/59/186034359.db2.gz ULTVODOJZUNNMU-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122317912 187026419 /nfs/dbraw/zinc/02/64/19/187026419.db2.gz MACBIAHMIHGWBW-DGCLKSJQSA-N 0 3 275.352 2.310 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@H](CO)CC2)cs1 ZINC000153155506 188067760 /nfs/dbraw/zinc/06/77/60/188067760.db2.gz YHIMSXSFOPYZPN-JGZJWPJOSA-N 0 3 270.354 2.297 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000153918227 188111719 /nfs/dbraw/zinc/11/17/19/188111719.db2.gz KLGKDNRMSRZKBH-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CCCCOC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102515 282892821 /nfs/dbraw/zinc/89/28/21/282892821.db2.gz KCHRJJUYQKAJKN-WFASDCNBSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000134238570 366303253 /nfs/dbraw/zinc/30/32/53/366303253.db2.gz FAHCQELEGXULEH-ZYHUDNBSSA-N 0 3 250.298 2.170 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000134631017 366348906 /nfs/dbraw/zinc/34/89/06/366348906.db2.gz MAVQXMIIIDSDPY-SGMGOOAPSA-N 0 3 276.336 2.491 20 5 CEBDHN CCOc1cccc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000134904271 366371292 /nfs/dbraw/zinc/37/12/92/366371292.db2.gz JRCFDXABKSXOOE-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN CC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000178021334 189086657 /nfs/dbraw/zinc/08/66/57/189086657.db2.gz PKALYQJBKDONBJ-ZWNOBZJWSA-N 0 3 279.340 2.112 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000179584146 189204667 /nfs/dbraw/zinc/20/46/67/189204667.db2.gz KPLCJVMIDMURIY-ZJUUUORDSA-N 0 3 268.313 2.025 20 5 CEBDHN Cc1cnc(CCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000453598129 283603227 /nfs/dbraw/zinc/60/32/27/283603227.db2.gz PFENNAHRAQEZEX-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000342364286 216325799 /nfs/dbraw/zinc/32/57/99/216325799.db2.gz VZCFOGAJKQVDCR-ZWNOBZJWSA-N 0 3 292.339 2.199 20 5 CEBDHN CC1=CCN(CCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000571817612 299329641 /nfs/dbraw/zinc/32/96/41/299329641.db2.gz OCIIRRCOMGTIQB-UHFFFAOYSA-N 0 3 275.352 2.336 20 5 CEBDHN CN(C)CCSc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342537594 216389703 /nfs/dbraw/zinc/38/97/03/216389703.db2.gz JOLJYIKBJXBPSJ-UHFFFAOYSA-N 0 3 284.366 2.253 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN1CCCC1 ZINC000103116683 364628318 /nfs/dbraw/zinc/62/83/18/364628318.db2.gz PHYXNOLZVRRMGD-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000112308918 364788990 /nfs/dbraw/zinc/78/89/90/364788990.db2.gz JBQBMTNNTNBWQU-UHFFFAOYSA-N 0 3 279.340 2.057 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000112309961 364789186 /nfs/dbraw/zinc/78/91/86/364789186.db2.gz FABSDNDDUSNOPX-UHFFFAOYSA-N 0 3 299.396 2.426 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112309994 364789280 /nfs/dbraw/zinc/78/92/80/364789280.db2.gz AXWRAUGJGLMFBF-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3CCC[C@H]32)c1 ZINC000245409940 370815522 /nfs/dbraw/zinc/81/55/22/370815522.db2.gz ORISGIALUAEXIS-DGCLKSJQSA-N 0 3 264.329 2.056 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161500196 367092012 /nfs/dbraw/zinc/09/20/12/367092012.db2.gz PSFBSMVYZNKPLY-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC12CCCC2 ZINC000602865750 367217699 /nfs/dbraw/zinc/21/76/99/367217699.db2.gz RASYOODDMZXRQP-UHFFFAOYSA-N 0 3 264.329 2.118 20 5 CEBDHN CCCN(CCN1CCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000343262431 367731031 /nfs/dbraw/zinc/73/10/31/367731031.db2.gz HJZQWUFISOIEAS-UHFFFAOYSA-N 0 3 278.356 2.302 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343520112 367860348 /nfs/dbraw/zinc/86/03/48/367860348.db2.gz LFTFQYMAEVCEEY-BXUZGUMPSA-N 0 3 291.351 2.116 20 5 CEBDHN CCCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000343612880 367916459 /nfs/dbraw/zinc/91/64/59/367916459.db2.gz PUDNYBUEZJMKCR-AWEZNQCLSA-N 0 3 291.351 2.199 20 5 CEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176190033 368209837 /nfs/dbraw/zinc/20/98/37/368209837.db2.gz KBYPWSXAIGZNEO-UHFFFAOYSA-N 0 3 274.324 2.313 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000176230082 368214115 /nfs/dbraw/zinc/21/41/15/368214115.db2.gz CVZVHQGRJACXLR-PHIMTYICSA-N 0 3 252.318 2.054 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656101 368480262 /nfs/dbraw/zinc/48/02/62/368480262.db2.gz BHIPNJJCCDORSU-IAQYHMDHSA-N 0 3 287.319 2.374 20 5 CEBDHN COCCOC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198707 370948382 /nfs/dbraw/zinc/94/83/82/370948382.db2.gz YVRAPFGZEOJQJG-RYUDHWBXSA-N 0 3 282.340 2.297 20 5 CEBDHN C/C=C/C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000185810116 368865490 /nfs/dbraw/zinc/86/54/90/368865490.db2.gz LWPZDMRCHHUOAV-QAVQXKDTSA-N 0 3 250.298 2.012 20 5 CEBDHN CN(CCN(C)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185979672 368898772 /nfs/dbraw/zinc/89/87/72/368898772.db2.gz UGSGGILPBNVSEL-UHFFFAOYSA-N 0 3 292.339 2.153 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)C1CC1 ZINC000186801330 369046566 /nfs/dbraw/zinc/04/65/66/369046566.db2.gz NRCWTORSTLOJOI-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000348699079 369123246 /nfs/dbraw/zinc/12/32/46/369123246.db2.gz AGSUQBXHRRKCAZ-WMADIVHISA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000349386372 369317925 /nfs/dbraw/zinc/31/79/25/369317925.db2.gz SDYFLFVLYZJIAA-BXUZGUMPSA-N 0 3 264.325 2.106 20 5 CEBDHN CSC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234649 369323646 /nfs/dbraw/zinc/32/36/46/369323646.db2.gz DXHKIZYWWPLNFM-PWSUYJOCSA-N 0 3 284.381 2.278 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)[C@H](C)C1 ZINC000190044204 369590743 /nfs/dbraw/zinc/59/07/43/369590743.db2.gz AFAMZDGKFBJNBN-BXUZGUMPSA-N 0 3 264.325 2.106 20 5 CEBDHN COc1cc(CN(C)C[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352404138 369713897 /nfs/dbraw/zinc/71/38/97/369713897.db2.gz CMOWKAWUVIXPPS-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@@H]1CC(O)C[C@@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000191279336 369697733 /nfs/dbraw/zinc/69/77/33/369697733.db2.gz JKHSZDWMDWJSRI-VXGBXAGGSA-N 0 3 278.352 2.371 20 5 CEBDHN CN1CCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988528 370216233 /nfs/dbraw/zinc/21/62/33/370216233.db2.gz AYTAAHMLEJYUJT-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000222999288 370259700 /nfs/dbraw/zinc/25/97/00/370259700.db2.gz NJZAEMZQLHRKIH-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN CC(=O)c1cc(N2CCC[C@H](N(C)C)C2)ccc1[N+](=O)[O-] ZINC000228261074 370400982 /nfs/dbraw/zinc/40/09/82/370400982.db2.gz MYWFKRHNIXVKEL-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000234888240 370546858 /nfs/dbraw/zinc/54/68/58/370546858.db2.gz SRHOKAXQALZXMY-UKRRQHHQSA-N 0 3 292.335 2.261 20 5 CEBDHN C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000235452714 370567423 /nfs/dbraw/zinc/56/74/23/370567423.db2.gz UOWANTZNWTZEIU-SSDOTTSWSA-N 0 3 258.709 2.005 20 5 CEBDHN C[C@H]1CCCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358409873 371055049 /nfs/dbraw/zinc/05/50/49/371055049.db2.gz JKOMHBSZBFBOLM-NSHDSACASA-N 0 3 291.351 2.458 20 5 CEBDHN CNC(=O)[C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247742639 371140273 /nfs/dbraw/zinc/14/02/73/371140273.db2.gz XFCOGUVPXSTYAB-DGCLKSJQSA-N 0 3 291.351 2.114 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247442197 371107925 /nfs/dbraw/zinc/10/79/25/371107925.db2.gz POCYXLHHBHTPQY-SMDDNHRTSA-N 0 3 291.351 2.007 20 5 CEBDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000248399442 371186195 /nfs/dbraw/zinc/18/61/95/371186195.db2.gz OUNXMGCQEOVKSK-GDLCADMTSA-N 0 3 291.351 2.290 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(O)C1 ZINC000248370079 371181997 /nfs/dbraw/zinc/18/19/97/371181997.db2.gz XANBIPYFZAPLLP-MFKMUULPSA-N 0 3 250.298 2.113 20 5 CEBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nc[nH]n3)C2)cs1 ZINC000331850398 204230106 /nfs/dbraw/zinc/23/01/06/204230106.db2.gz QQQQCYKVHMLAKT-SNVBAGLBSA-N 0 3 293.352 2.154 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(C)[C@@H]1C ZINC000361046001 371619503 /nfs/dbraw/zinc/61/95/03/371619503.db2.gz ZGUITIXSDFNHMU-KOLCDFICSA-N 0 3 281.360 2.014 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000344138167 217069070 /nfs/dbraw/zinc/06/90/70/217069070.db2.gz XEXVTZINBDWBQT-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)C12CCCN1CCC2 ZINC000372947145 284316046 /nfs/dbraw/zinc/31/60/46/284316046.db2.gz JNRUZXBPILUYTP-UHFFFAOYSA-N 0 3 275.308 2.162 20 5 CEBDHN C[C@@H]1CCN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353436137 220081012 /nfs/dbraw/zinc/08/10/12/220081012.db2.gz BEEKBSMINGZGOA-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN CCOc1ccc([C@H](C)NCCCO)cc1[N+](=O)[O-] ZINC000271061909 373100148 /nfs/dbraw/zinc/10/01/48/373100148.db2.gz CFWSTIHXSNLXEV-JTQLQIEISA-N 0 3 268.313 2.027 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC(=O)N(C)C ZINC000344849222 217333397 /nfs/dbraw/zinc/33/33/97/217333397.db2.gz HVMYVVFWPJIIPM-XFXZXTDPSA-N 0 3 291.351 2.066 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NC(C)C ZINC000344864273 217339397 /nfs/dbraw/zinc/33/93/97/217339397.db2.gz RYTNCHUHDXEWMW-GHXNOFRVSA-N 0 3 291.351 2.112 20 5 CEBDHN Cc1c(CN2C[C@H]3CCC[C@@H](C2)C3O)cccc1[N+](=O)[O-] ZINC000369377952 373400108 /nfs/dbraw/zinc/40/01/08/373400108.db2.gz OQBNZLCDNZWQGM-MZBDJJRSSA-N 0 3 290.363 2.496 20 5 CEBDHN Cc1ccc(CN(C)CCc2cnccn2)cc1[N+](=O)[O-] ZINC000272734888 373636199 /nfs/dbraw/zinc/63/61/99/373636199.db2.gz HLMCWEIRNNNWCF-UHFFFAOYSA-N 0 3 286.335 2.368 20 5 CEBDHN CN1CCCC12CCN(c1ncc([N+](=O)[O-])s1)CC2 ZINC000373865409 374435998 /nfs/dbraw/zinc/43/59/98/374435998.db2.gz ISUIQDJYKGIQRH-UHFFFAOYSA-N 0 3 282.369 2.116 20 5 CEBDHN Cc1ncc2c(n1)CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C2 ZINC000373941640 374453441 /nfs/dbraw/zinc/45/34/41/374453441.db2.gz SKIZSWFHMYGGJK-CQSZACIVSA-N 0 3 298.346 2.340 20 5 CEBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377230926 374818695 /nfs/dbraw/zinc/81/86/95/374818695.db2.gz GZIDRHYMQKRKIU-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H](CO)CC2CCC2)cs1 ZINC000279776780 374981815 /nfs/dbraw/zinc/98/18/15/374981815.db2.gz KYLYIVPDWWUTBJ-NSHDSACASA-N 0 3 270.354 2.297 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770641 375243906 /nfs/dbraw/zinc/24/39/06/375243906.db2.gz ARSGAJVTGQDIKC-GXTWGEPZSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1([S@](C)=O)CCC1 ZINC000280719133 375295526 /nfs/dbraw/zinc/29/55/26/375295526.db2.gz UTXUXXHFXUINML-FQEVSTJZSA-N 0 3 296.392 2.294 20 5 CEBDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150616 375416510 /nfs/dbraw/zinc/41/65/10/375416510.db2.gz CRJFBAMCXZNDGM-DGIBIBHMSA-N 0 3 282.365 2.157 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN3CCCC[C@H]23)s1 ZINC000282286456 375448294 /nfs/dbraw/zinc/44/82/94/375448294.db2.gz VZSNNWJAUVNOMI-RKDXNWHRSA-N 0 3 268.342 2.090 20 5 CEBDHN COC[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282488785 375497379 /nfs/dbraw/zinc/49/73/79/375497379.db2.gz PQBSHJNMJJBLHG-NSHDSACASA-N 0 3 252.314 2.104 20 5 CEBDHN Cc1c(NC(=O)N2C[C@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414715253 375937358 /nfs/dbraw/zinc/93/73/58/375937358.db2.gz WFXPRDCSRYTIFN-UWVGGRQHSA-N 0 3 292.339 2.117 20 5 CEBDHN Cc1c([C@H](C)NCC(C)(C)OCCO)cccc1[N+](=O)[O-] ZINC000287342805 376211866 /nfs/dbraw/zinc/21/18/66/376211866.db2.gz NDBOJZBLYXDVRU-LBPRGKRZSA-N 0 3 296.367 2.341 20 5 CEBDHN CC[C@@H](CN(C)CCc1ccccc1[N+](=O)[O-])OC ZINC000419266253 376418659 /nfs/dbraw/zinc/41/86/59/376418659.db2.gz GAWVHCNIGXTJQE-ZDUSSCGKSA-N 0 3 266.341 2.494 20 5 CEBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419376926 376448205 /nfs/dbraw/zinc/44/82/05/376448205.db2.gz UKSLYYVVYPQATR-VWYCJHECSA-N 0 3 291.351 2.170 20 5 CEBDHN CO[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311809014 376687014 /nfs/dbraw/zinc/68/70/14/376687014.db2.gz AUXUFNBMJMFHEM-JQWIXIFHSA-N 0 3 268.288 2.391 20 5 CEBDHN CCN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264699109 190129718 /nfs/dbraw/zinc/12/97/18/190129718.db2.gz NGEACQVQQPBSLF-CQSZACIVSA-N 0 3 291.351 2.199 20 5 CEBDHN CCOCC(C)(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293289669 377507051 /nfs/dbraw/zinc/50/70/51/377507051.db2.gz OSXCOGPUVGGOCC-ZDUSSCGKSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H]1[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000293490119 377591059 /nfs/dbraw/zinc/59/10/59/377591059.db2.gz SSMAHMFVRQZDRU-WDEREUQCSA-N 0 3 250.298 2.314 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000265733815 190203106 /nfs/dbraw/zinc/20/31/06/190203106.db2.gz AKDNLOWAUALPSJ-GFCCVEGCSA-N 0 3 280.324 2.072 20 5 CEBDHN Cc1cc(N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000450620796 378502506 /nfs/dbraw/zinc/50/25/06/378502506.db2.gz WMKIWMMNGHVNAO-AWEZNQCLSA-N 0 3 293.367 2.162 20 5 CEBDHN CS[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465517 378541793 /nfs/dbraw/zinc/54/17/93/378541793.db2.gz XNCYCHAVUCCUOC-STQMWFEESA-N 0 3 282.365 2.066 20 5 CEBDHN CC(C)OC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296767102 378642115 /nfs/dbraw/zinc/64/21/15/378642115.db2.gz RBPMLCRJRAEVJC-SMDDNHRTSA-N 0 3 282.340 2.031 20 5 CEBDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000298498867 378746816 /nfs/dbraw/zinc/74/68/16/378746816.db2.gz MWTGLIIVQSKJQP-ZJUUUORDSA-N 0 3 295.364 2.013 20 5 CEBDHN CC(C)(NCCCCO)c1ccccc1[N+](=O)[O-] ZINC000298367736 378706827 /nfs/dbraw/zinc/70/68/27/378706827.db2.gz NKKAPLDHIRUDFT-UHFFFAOYSA-N 0 3 252.314 2.192 20 5 CEBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298421371 378721834 /nfs/dbraw/zinc/72/18/34/378721834.db2.gz OBJJVOHZGCFNTL-UHFFFAOYSA-N 0 3 292.383 2.034 20 5 CEBDHN COC1([C@H](C)NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453149768 378818483 /nfs/dbraw/zinc/81/84/83/378818483.db2.gz MNRBKFXOIVDXLT-LBPRGKRZSA-N 0 3 294.351 2.269 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392109 378883031 /nfs/dbraw/zinc/88/30/31/378883031.db2.gz ZDAYECKEQWJACW-QMTHXVAHSA-N 0 3 291.351 2.086 20 5 CEBDHN CON1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000453605806 378919985 /nfs/dbraw/zinc/91/99/85/378919985.db2.gz PCAPARLJOROJON-UHFFFAOYSA-N 0 3 279.340 2.052 20 5 CEBDHN COC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278619291 194072193 /nfs/dbraw/zinc/07/21/93/194072193.db2.gz JQHFYXXDECUYJV-DZGCQCFKSA-N 0 3 294.351 2.187 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(O)CC1 ZINC000347374974 218212137 /nfs/dbraw/zinc/21/21/37/218212137.db2.gz YNQNCCVSHDKYDI-FMIVXFBMSA-N 0 3 276.336 2.455 20 5 CEBDHN CCCN1CCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000522243317 379566359 /nfs/dbraw/zinc/56/63/59/379566359.db2.gz PIWYRLRLRNFYRI-CQSZACIVSA-N 0 3 291.351 2.085 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000347789091 218358398 /nfs/dbraw/zinc/35/83/98/218358398.db2.gz SHJCAOIXOOMFJK-GFCCVEGCSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@@H]1C[C@H]1N1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488738898 380127131 /nfs/dbraw/zinc/12/71/31/380127131.db2.gz ZVUJQBNTFLVRJM-OUCADQQQSA-N 0 3 290.367 2.156 20 5 CEBDHN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000550657605 380626281 /nfs/dbraw/zinc/62/62/81/380626281.db2.gz RCOAOONTDSMBGI-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN CC(C)OC[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554552921 380781843 /nfs/dbraw/zinc/78/18/43/380781843.db2.gz JJXUHJCEZWQEAW-GFCCVEGCSA-N 0 3 282.340 2.377 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H](CO)C2)cc1 ZINC000374037660 220294325 /nfs/dbraw/zinc/29/43/25/220294325.db2.gz LSFQGRLFBONTKK-CYBMUJFWSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC[C@@H]1CCCCO1)CC2 ZINC000332643302 285184173 /nfs/dbraw/zinc/18/41/73/285184173.db2.gz XLEDXEAVTFGYLU-AWEZNQCLSA-N 0 3 291.351 2.307 20 5 CEBDHN CN(C)CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281222290 195155312 /nfs/dbraw/zinc/15/53/12/195155312.db2.gz DXENLBNEIRWVFV-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN CN(C)CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281444802 195242688 /nfs/dbraw/zinc/24/26/88/195242688.db2.gz UFNLWYNZNPGCIX-UHFFFAOYSA-N 0 3 292.339 2.201 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000281768008 195372817 /nfs/dbraw/zinc/37/28/17/195372817.db2.gz SEJOHNYMJUVGAL-WFASDCNBSA-N 0 3 294.351 2.473 20 5 CEBDHN COc1cc(N2CCN3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000271105176 135091389 /nfs/dbraw/zinc/09/13/89/135091389.db2.gz REWKDZSPGPSCPC-JTQLQIEISA-N 0 3 295.314 2.027 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413056536 394476151 /nfs/dbraw/zinc/47/61/51/394476151.db2.gz CVSCJOGCPDNWGQ-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN CCCN1CCC(N(C)c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413110875 394483931 /nfs/dbraw/zinc/48/39/31/394483931.db2.gz VCXKSNMTDBZIPK-UHFFFAOYSA-N 0 3 296.346 2.440 20 5 CEBDHN Cc1c(C(=O)N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000421706180 394571261 /nfs/dbraw/zinc/57/12/61/394571261.db2.gz UEDDJYASXXYGFV-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000331264420 394629510 /nfs/dbraw/zinc/62/95/10/394629510.db2.gz GMPIXKYLOVMLSO-JSGCOSHPSA-N 0 3 294.351 2.066 20 5 CEBDHN CCOCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285190356 394954637 /nfs/dbraw/zinc/95/46/37/394954637.db2.gz CIWGHOYYOQPUKJ-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1cnc(CCNCc2ccccc2[N+](=O)[O-])nc1 ZINC000340104959 394978311 /nfs/dbraw/zinc/97/83/11/394978311.db2.gz JMLMDMSRJFXBKC-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375040764 395090334 /nfs/dbraw/zinc/09/03/34/395090334.db2.gz PIJDTSHFDANHDA-SKDRFNHKSA-N 0 3 296.758 2.174 20 5 CEBDHN CC[C@H](N[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586529 395199755 /nfs/dbraw/zinc/19/97/55/395199755.db2.gz BJJLADXUMHNBAS-OCCSQVGLSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000395921696 395214732 /nfs/dbraw/zinc/21/47/32/395214732.db2.gz UEQIVKJYXYQSTB-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ncccc1[O-] ZINC000355285550 395396902 /nfs/dbraw/zinc/39/69/02/395396902.db2.gz DQBPZCGMPOLEPR-UTCJRWHESA-N 0 3 285.303 2.498 20 5 CEBDHN COc1cc(CN(C)[C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000451378507 395612424 /nfs/dbraw/zinc/61/24/24/395612424.db2.gz ZZGNWNURXRSATK-JTQLQIEISA-N 0 3 282.340 2.195 20 5 CEBDHN C[C@H](CC[S@](C)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291907 395627536 /nfs/dbraw/zinc/62/75/36/395627536.db2.gz JMRFSGICFNIYDS-FBWDIHGXSA-N 0 3 296.392 2.329 20 5 CEBDHN CCN(CC)[C@@H](C)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000359897053 155162724 /nfs/dbraw/zinc/16/27/24/155162724.db2.gz IAZXKNKYQJVJKE-JTQLQIEISA-N 0 3 291.355 2.035 20 5 CEBDHN COc1ccc(CN[C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221372196 153309739 /nfs/dbraw/zinc/30/97/39/153309739.db2.gz CLGCVNUPUXOJAP-CQSZACIVSA-N 0 3 280.324 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCC3)C2)n1 ZINC000378160315 292285734 /nfs/dbraw/zinc/28/57/34/292285734.db2.gz IXGQCEZYBDGSPY-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCCC3)CC2)n1 ZINC000357923108 154398347 /nfs/dbraw/zinc/39/83/47/154398347.db2.gz BZGIWWWTTPBWFI-UHFFFAOYSA-N 0 3 278.356 2.448 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@]12CCOC2 ZINC000367459133 156188489 /nfs/dbraw/zinc/18/84/89/156188489.db2.gz QVUJFOXXVWSNPX-HNNXBMFYSA-N 0 3 292.335 2.229 20 5 CEBDHN C[C@H](CN(C)C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168869774 162370278 /nfs/dbraw/zinc/37/02/78/162370278.db2.gz FERXEUSUXRZJTH-SECBINFHSA-N 0 3 271.748 2.288 20 5 CEBDHN CO[C@H]1C[C@@H](CN(C)c2cccc(C)c2[N+](=O)[O-])N(C)C1 ZINC000284525375 196076968 /nfs/dbraw/zinc/07/69/68/196076968.db2.gz KKDRXYYEIFBIME-STQMWFEESA-N 0 3 293.367 2.059 20 5 CEBDHN CCC[C@H](NC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601473 172290086 /nfs/dbraw/zinc/29/00/86/172290086.db2.gz WMLAQAPLLCPWDD-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1c(CNC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000035648802 172325258 /nfs/dbraw/zinc/32/52/58/172325258.db2.gz SJMVFUJTGSVQDY-GFCCVEGCSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000285960280 196454029 /nfs/dbraw/zinc/45/40/29/196454029.db2.gz ALBCUHKKHWOGNA-NSHDSACASA-N 0 3 278.356 2.463 20 5 CEBDHN CCN1CCC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040503157 174299538 /nfs/dbraw/zinc/29/95/38/174299538.db2.gz MCXCUTIPZDAVJU-VIFPVBQESA-N 0 3 295.368 2.200 20 5 CEBDHN CCN1CCC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000040503158 174300090 /nfs/dbraw/zinc/30/00/90/174300090.db2.gz MCXCUTIPZDAVJU-SECBINFHSA-N 0 3 295.368 2.200 20 5 CEBDHN Cc1ccc(CN[C@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000077424248 177265772 /nfs/dbraw/zinc/26/57/72/177265772.db2.gz VWVDICXTKXHXNI-WDEREUQCSA-N 0 3 252.314 2.010 20 5 CEBDHN CCOc1cc(CN2CC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488746711 262387980 /nfs/dbraw/zinc/38/79/80/262387980.db2.gz MRHAGVFYULVIEI-YPMHNXCESA-N 0 3 294.351 2.196 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1CCCOC1 ZINC000430227741 271365339 /nfs/dbraw/zinc/36/53/39/271365339.db2.gz SJMUUHPMQJLZTL-LBPRGKRZSA-N 0 3 294.351 2.462 20 5 CEBDHN CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000270991121 277109110 /nfs/dbraw/zinc/10/91/10/277109110.db2.gz DUIPMBOHLUVIBC-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272184650 277146908 /nfs/dbraw/zinc/14/69/08/277146908.db2.gz KTAVXEVRHVXEIX-BXUZGUMPSA-N 0 3 261.325 2.125 20 5 CEBDHN CN1CC[C@]2(CCN(c3cccc(F)c3[N+](=O)[O-])C2)C1 ZINC000292303978 277186341 /nfs/dbraw/zinc/18/63/41/277186341.db2.gz NUIZRONOQLAFPV-AWEZNQCLSA-N 0 3 279.315 2.266 20 5 CEBDHN COc1ccc(CN(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000089897916 279703345 /nfs/dbraw/zinc/70/33/45/279703345.db2.gz PZYDMRPGJGLLBT-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN C[C@H]1OCC[C@@]1(C)NCc1ccccc1[N+](=O)[O-] ZINC000235611069 280062607 /nfs/dbraw/zinc/06/26/07/280062607.db2.gz BDHDCBLTQNXMES-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)[C@@H](C)C1 ZINC000249278190 280390749 /nfs/dbraw/zinc/39/07/49/280390749.db2.gz LUVCGCWYJSNYRU-UWVGGRQHSA-N 0 3 284.385 2.218 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)CC[C@@H]2C)n1 ZINC000359095888 280398722 /nfs/dbraw/zinc/39/87/22/280398722.db2.gz KNIZZRWQDRQECK-LBPRGKRZSA-N 0 3 278.356 2.137 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)[C@H](O)C1 ZINC000352767521 281022793 /nfs/dbraw/zinc/02/27/93/281022793.db2.gz BYZVZOKSTTWMOL-COPLHBTASA-N 0 3 264.325 2.277 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)C1CC1 ZINC000278841719 281256788 /nfs/dbraw/zinc/25/67/88/281256788.db2.gz VYFJIEKZPOCSGA-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262736294 289016784 /nfs/dbraw/zinc/01/67/84/289016784.db2.gz CPNWGTXWDLWNGO-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@H](N[C@@H]1CN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009147 290026596 /nfs/dbraw/zinc/02/65/96/290026596.db2.gz CCCMGOBMTSEDBQ-COPLHBTASA-N 0 3 263.341 2.196 20 5 CEBDHN COc1cc(N2CCN(C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487059880 290330065 /nfs/dbraw/zinc/33/00/65/290330065.db2.gz OSZUUDHWEIGWSO-CQSZACIVSA-N 0 3 293.367 2.380 20 5 CEBDHN C[C@H](NCCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967891 298127362 /nfs/dbraw/zinc/12/73/62/298127362.db2.gz GZHPAYRGTKVRCO-SWLSCSKDSA-N 0 3 294.351 2.441 20 5 CEBDHN CN(C)C(=O)C(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000538399515 298228160 /nfs/dbraw/zinc/22/81/60/298228160.db2.gz JVWFGGQOOARGPR-CLFYSBASSA-N 0 3 291.351 2.064 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2noc(C34CCCN3CCC4)n2)o1 ZINC000351275507 313003761 /nfs/dbraw/zinc/00/37/61/313003761.db2.gz PHYZACBDYKDVQU-UHFFFAOYSA-N 0 3 290.279 2.323 20 5 CEBDHN C[C@H](O)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736130 322499551 /nfs/dbraw/zinc/49/95/51/322499551.db2.gz UDSSGCRHVPFBJD-KWBADKCTSA-N 0 3 264.325 2.331 20 5 CEBDHN CC[C@H](O)[C@H](CC)NCc1cccc([N+](=O)[O-])c1 ZINC000313123533 536009271 /nfs/dbraw/zinc/00/92/71/536009271.db2.gz WIRZTCLUJCGJCO-STQMWFEESA-N 0 3 252.314 2.234 20 5 CEBDHN CC(=O)c1ccc(NC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000069535043 518383461 /nfs/dbraw/zinc/38/34/61/518383461.db2.gz VCHXDRGTWZDULK-LLVKDONJSA-N 0 3 277.324 2.161 20 5 CEBDHN CC(C)N(CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000049617382 519644482 /nfs/dbraw/zinc/64/44/82/519644482.db2.gz LDTTZTBMQDSVSZ-UHFFFAOYSA-N 0 3 252.314 2.188 20 5 CEBDHN CCCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067374525 520432416 /nfs/dbraw/zinc/43/24/16/520432416.db2.gz BBFJGUNUYAIYPW-CQSZACIVSA-N 0 3 291.351 2.432 20 5 CEBDHN CN1CC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443680 523989121 /nfs/dbraw/zinc/98/91/21/523989121.db2.gz IRZLTDNHHKIBJB-NSHDSACASA-N 0 3 269.732 2.042 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CCO)C(C)(C)C ZINC000183672486 525463311 /nfs/dbraw/zinc/46/33/11/525463311.db2.gz YCUUNYPGJKHEAW-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1c(CN[C@@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815910 525728342 /nfs/dbraw/zinc/72/83/42/525728342.db2.gz ZDNVLSCVHSIXAF-QWHCGFSZSA-N 0 3 291.351 2.037 20 5 CEBDHN Cc1sc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068340803 526872106 /nfs/dbraw/zinc/87/21/06/526872106.db2.gz AFAXUYXZVQGHRJ-SNVBAGLBSA-N 0 3 297.380 2.131 20 5 CEBDHN CCCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CC1 ZINC000749950227 575241344 /nfs/dbraw/zinc/24/13/44/575241344.db2.gz JQHUBSVGMFHGBY-UHFFFAOYSA-N 0 3 289.339 2.480 20 5 CEBDHN Cc1nn(CN2C[C@H](C)C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954338 575241835 /nfs/dbraw/zinc/24/18/35/575241835.db2.gz MYVKNARVLQAIDS-ZJUUUORDSA-N 0 3 289.339 2.336 20 5 CEBDHN CCCOc1cc(OC)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115582 623084745 /nfs/dbraw/zinc/08/47/45/623084745.db2.gz VXXSHTWBUJXPEX-SNVBAGLBSA-N 0 3 297.307 2.306 20 5 CEBDHN CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963573 623276102 /nfs/dbraw/zinc/27/61/02/623276102.db2.gz CFRPZUUHHSOBSH-JTQLQIEISA-N 0 3 269.732 2.042 20 5 CEBDHN C[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000725779882 624776330 /nfs/dbraw/zinc/77/63/30/624776330.db2.gz TZNAXVPFFMSCBD-SNVBAGLBSA-N 0 3 260.297 2.244 20 5 CEBDHN COc1c(O)ccc(CNC[C@H]2CCC=CO2)c1[N+](=O)[O-] ZINC000893868405 629022170 /nfs/dbraw/zinc/02/21/70/629022170.db2.gz POUKCLDLGBJBLQ-LLVKDONJSA-N 0 3 294.307 2.091 20 5 CEBDHN CCN1[C@H](C)CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000895100524 629896297 /nfs/dbraw/zinc/89/62/97/629896297.db2.gz VAULDKVRPQPEBD-PHIMTYICSA-N 0 3 278.356 2.217 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[C@]2(O)C1 ZINC000895652927 630294650 /nfs/dbraw/zinc/29/46/50/630294650.db2.gz KCDMSWXYUHIYHN-HDHJSLLGSA-N 0 3 274.320 2.065 20 5 CEBDHN Cc1ccc([C@H](C)NCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085873 632454477 /nfs/dbraw/zinc/45/44/77/632454477.db2.gz SIEKWQNNPAYTGV-JSGCOSHPSA-N 0 3 294.351 2.359 20 5 CEBDHN Cc1ccc([C@@H](C)NCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085878 632454934 /nfs/dbraw/zinc/45/49/34/632454934.db2.gz SIEKWQNNPAYTGV-OCCSQVGLSA-N 0 3 294.351 2.359 20 5 CEBDHN CC(COC(=O)c1ccccc1OCC1CC1)[N+](=O)[O-] ZINC000813101471 632620793 /nfs/dbraw/zinc/62/07/93/632620793.db2.gz BBMQSCRWVMMDFL-SNVBAGLBSA-N 0 3 279.292 2.297 20 5 CEBDHN CC(COC(=O)c1ccccc1Br)[N+](=O)[O-] ZINC000813100065 632620932 /nfs/dbraw/zinc/62/09/32/632620932.db2.gz LMEZCWPXKRPIJN-SSDOTTSWSA-N 0 3 288.097 2.271 20 5 CEBDHN CCn1cc(CC(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813100548 632621099 /nfs/dbraw/zinc/62/10/99/632621099.db2.gz UEDJIDZQCUOKMA-LLVKDONJSA-N 0 3 290.319 2.412 20 5 CEBDHN CC(C)C(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102455 632621749 /nfs/dbraw/zinc/62/17/49/632621749.db2.gz FORTVHORGPCFQA-JTQLQIEISA-N 0 3 294.307 2.103 20 5 CEBDHN CC(COC(=O)/C=C\SCc1ccco1)[N+](=O)[O-] ZINC000813103601 632622440 /nfs/dbraw/zinc/62/24/40/632622440.db2.gz RDZTVVGOWHXSRD-XTULLQBASA-N 0 3 271.294 2.235 20 5 CEBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813106108 632623273 /nfs/dbraw/zinc/62/32/73/632623273.db2.gz YPBIIABRNVMCEA-SSDOTTSWSA-N 0 3 273.285 2.370 20 5 CEBDHN Cc1cccc2c(CC(=O)OCC(C)[N+](=O)[O-])c[nH]c21 ZINC000813105063 632623915 /nfs/dbraw/zinc/62/39/15/632623915.db2.gz VARYXZGPPRJRMR-SNVBAGLBSA-N 0 3 276.292 2.227 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107458 632624357 /nfs/dbraw/zinc/62/43/57/632624357.db2.gz NRVCCKPFXINJKK-ZJUUUORDSA-N 0 3 269.272 2.213 20 5 CEBDHN CC(COC(=O)[C@@]1(C)CCCc2ccccc21)[N+](=O)[O-] ZINC000813108120 632625418 /nfs/dbraw/zinc/62/54/18/632625418.db2.gz AOTWIBHXAKVWJS-ABAIWWIYSA-N 0 3 277.320 2.489 20 5 CEBDHN Cc1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813108221 632625845 /nfs/dbraw/zinc/62/58/45/632625845.db2.gz WASQUAQQXJPYBZ-SSDOTTSWSA-N 0 3 259.208 2.095 20 5 CEBDHN CC(COC(=O)Cc1c[nH]c2ccc(F)cc12)[N+](=O)[O-] ZINC000813109371 632626485 /nfs/dbraw/zinc/62/64/85/632626485.db2.gz JLBPHUPGEWXTOT-MRVPVSSYSA-N 0 3 280.255 2.058 20 5 CEBDHN CC(COC(=O)c1coc2cc(F)ccc21)[N+](=O)[O-] ZINC000813111699 632627263 /nfs/dbraw/zinc/62/72/63/632627263.db2.gz WDWCSWLZKFKIAM-ZETCQYMHSA-N 0 3 267.212 2.394 20 5 CEBDHN CC(COC(=O)CC1CC(OC(C)(C)C)C1)[N+](=O)[O-] ZINC000813111890 632627571 /nfs/dbraw/zinc/62/75/71/632627571.db2.gz XQDUBVZZYYXHPE-WHXUTIOJSA-N 0 3 273.329 2.179 20 5 CEBDHN CC(C)c1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113850 632628150 /nfs/dbraw/zinc/62/81/50/632628150.db2.gz JXDVHJCDHODYFF-LLVKDONJSA-N 0 3 281.308 2.397 20 5 CEBDHN Cc1ccc(C)c(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115510 632629227 /nfs/dbraw/zinc/62/92/27/632629227.db2.gz UFUBUMRYQBAIPR-LBPRGKRZSA-N 0 3 293.319 2.475 20 5 CEBDHN CC(COC(=O)CSc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813115508 632629631 /nfs/dbraw/zinc/62/96/31/632629631.db2.gz UDKSBGKDXDJVBY-SNVBAGLBSA-N 0 3 295.360 2.476 20 5 CEBDHN C[C@@H](Cc1cccc(Br)c1)NCC[N+](=O)[O-] ZINC000899876952 633068014 /nfs/dbraw/zinc/06/80/14/633068014.db2.gz VXTZQPAUDYMOJQ-VIFPVBQESA-N 0 3 287.157 2.246 20 5 CEBDHN Cc1ncsc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819016824 634040409 /nfs/dbraw/zinc/04/04/09/634040409.db2.gz CPJXPWDDLIXPMM-LBPRGKRZSA-N 0 3 293.348 2.183 20 5 CEBDHN C[C@H](N[C@@H]1CCN(C)[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302219 635049399 /nfs/dbraw/zinc/04/93/99/635049399.db2.gz XGUVFAOGGSZUTJ-JBLDHEPKSA-N 0 3 281.331 2.477 20 5 CEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cn(C)cn1 ZINC000903350377 635079517 /nfs/dbraw/zinc/07/95/17/635079517.db2.gz BLCOJAKHTPMXOR-JTQLQIEISA-N 0 3 292.314 2.188 20 5 CEBDHN Cc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000825648311 635685704 /nfs/dbraw/zinc/68/57/04/635685704.db2.gz PFJYLBSXDFLZIP-CQSZACIVSA-N 0 3 293.367 2.106 20 5 CEBDHN CC[C@@H](CNCC[N+](=O)[O-])Oc1cccc(C)c1 ZINC000905155672 635832274 /nfs/dbraw/zinc/83/22/74/635832274.db2.gz QHOXTJBSLLZUEX-LBPRGKRZSA-N 0 3 252.314 2.019 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCC[C@H]2CO)c1 ZINC000230680551 639776651 /nfs/dbraw/zinc/77/66/51/639776651.db2.gz URAFXTJHRGTBLY-ZANVPECISA-N 0 3 284.743 2.499 20 5 CEBDHN CCOc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000842363984 640030083 /nfs/dbraw/zinc/03/00/83/640030083.db2.gz QSGPNJATPCHLLN-NWDGAFQWSA-N 0 3 295.335 2.472 20 5 CEBDHN CN(CCn1ccnc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000918377760 640957619 /nfs/dbraw/zinc/95/76/19/640957619.db2.gz KKBAABGZDACHRF-UHFFFAOYSA-N 0 3 278.287 2.062 20 5 CEBDHN CN(C)C1CN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000845509048 640989201 /nfs/dbraw/zinc/98/92/01/640989201.db2.gz AHFHRLXMCOBJCK-UHFFFAOYSA-N 0 3 273.695 2.138 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1OCCCO1 ZINC000922281587 642998680 /nfs/dbraw/zinc/99/86/80/642998680.db2.gz VUJUKLXIZTYHSW-XYOKQWHBSA-N 0 3 292.335 2.351 20 5 CEBDHN COC(=O)C[C@](C)(NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000877707389 650863849 /nfs/dbraw/zinc/86/38/49/650863849.db2.gz RTPSOUUUDXUEPZ-ZDUSSCGKSA-N 0 3 298.364 2.478 20 5 CEBDHN N[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[C@H]1F ZINC000853248557 643721952 /nfs/dbraw/zinc/72/19/52/643721952.db2.gz VOLNCSUJAACDGI-GHMZBOCLSA-N 0 3 287.722 2.119 20 5 CEBDHN CCO[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776274338 647044682 /nfs/dbraw/zinc/04/46/82/647044682.db2.gz CGCRAYJDECYVAJ-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCSCC2)cc1 ZINC000776595802 647077524 /nfs/dbraw/zinc/07/75/24/647077524.db2.gz SDKYRRBSIFALMB-CYBMUJFWSA-N 0 3 282.365 2.067 20 5 CEBDHN C[C@@H](Cc1cnccn1)NCc1ccc([N+](=O)[O-])cc1F ZINC000778078569 647198473 /nfs/dbraw/zinc/19/84/73/647198473.db2.gz NBBMDNILEYKCNH-JTQLQIEISA-N 0 3 290.298 2.245 20 5 CEBDHN O=[N+]([O-])CCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000791054279 648477393 /nfs/dbraw/zinc/47/73/93/648477393.db2.gz SOLMDCBEAARUDY-UHFFFAOYSA-N 0 3 299.374 2.234 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000872219487 649320314 /nfs/dbraw/zinc/32/03/14/649320314.db2.gz SKMSSAXCRKROBQ-BFHYXJOUSA-N 0 3 282.315 2.499 20 5 CEBDHN CC[S@@](=O)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873048558 649542921 /nfs/dbraw/zinc/54/29/21/649542921.db2.gz DNXHGUPEUIBRRV-LJQANCHMSA-N 0 3 284.381 2.070 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)Cc1ccoc1 ZINC000883268875 652419323 /nfs/dbraw/zinc/41/93/23/652419323.db2.gz UYOHRXJKNQSYAS-CYBMUJFWSA-N 0 3 290.319 2.129 20 5 CEBDHN CC[C@@](C)(CC(=O)OC)NCc1ccccc1[N+](=O)[O-] ZINC000134134956 652777916 /nfs/dbraw/zinc/77/79/16/652777916.db2.gz XKMWWYDTBRTBHI-AWEZNQCLSA-N 0 3 280.324 2.416 20 5 CEBDHN Cc1ccc(O[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222495 805883485 /nfs/dbraw/zinc/88/34/85/805883485.db2.gz PGLMIYVDNPJFGK-NSHDSACASA-N 0 3 265.313 2.160 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CCC1 ZINC000697921032 806759723 /nfs/dbraw/zinc/75/97/23/806759723.db2.gz SCZNSBDFXWYLNW-UHFFFAOYSA-N 0 3 269.732 2.044 20 5 CEBDHN Cc1ccc(CNC[C@@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698568436 807247343 /nfs/dbraw/zinc/24/73/43/807247343.db2.gz GLQFBQVLVZLTFG-GFCCVEGCSA-N 0 3 274.267 2.009 20 5 CEBDHN CC[C@@H](C[C@H](C)O)NCc1csc([N+](=O)[O-])c1 ZINC000716858968 815147814 /nfs/dbraw/zinc/14/78/14/815147814.db2.gz ASJUSFNQEWPMIA-WPRPVWTQSA-N 0 3 258.343 2.295 20 5 CEBDHN CC[C@@H]1COC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833075 807865393 /nfs/dbraw/zinc/86/53/93/807865393.db2.gz FIZMFOPWNANOGP-NEPJUHHUSA-N 0 3 280.324 2.118 20 5 CEBDHN CC[C@H]1COC[C@@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000699833081 807865483 /nfs/dbraw/zinc/86/54/83/807865483.db2.gz FIZMFOPWNANOGP-RYUDHWBXSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710127091 809981895 /nfs/dbraw/zinc/98/18/95/809981895.db2.gz OBMCSTPBRKUFDB-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168974678 811323802 /nfs/dbraw/zinc/32/38/02/811323802.db2.gz SGBORONWFCUZCJ-IVZWLZJFSA-N 0 3 255.343 2.239 20 5 CEBDHN C[C@@H](N)c1ccn(-c2cc(F)cc(F)c2[N+](=O)[O-])n1 ZINC001169232203 811445631 /nfs/dbraw/zinc/44/56/31/811445631.db2.gz ASFWCRGFGWNNBI-ZCFIWIBFSA-N 0 3 268.223 2.078 20 5 CEBDHN COc1ccc(C[C@H](C)NCc2ccno2)c([N+](=O)[O-])c1 ZINC001170298950 812377247 /nfs/dbraw/zinc/37/72/47/812377247.db2.gz OOINQSICXLBFJZ-JTQLQIEISA-N 0 3 291.307 2.312 20 5 CEBDHN Cc1cc(Cl)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158349667 812669223 /nfs/dbraw/zinc/66/92/23/812669223.db2.gz VCDNIFSJOUAFDH-ZETCQYMHSA-N 0 3 281.703 2.157 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cnn(C)c1 ZINC001173230566 815632757 /nfs/dbraw/zinc/63/27/57/815632757.db2.gz YYEJOLDXIANAJY-GFCCVEGCSA-N 0 3 288.351 2.391 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(CN)c1 ZINC001173209349 815635389 /nfs/dbraw/zinc/63/53/89/815635389.db2.gz BONQVHQUPCWZBZ-JTQLQIEISA-N 0 3 260.297 2.054 20 5 CEBDHN CCN1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033299962 361775809 /nfs/dbraw/zinc/77/58/09/361775809.db2.gz SLNGTTMFTBPUNW-ALCCZGGFSA-N 0 3 275.352 2.246 20 5 CEBDHN Cc1c(CN(C)C[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000079769436 343990056 /nfs/dbraw/zinc/99/00/56/343990056.db2.gz AAOFJNZSVVKOBV-CQSZACIVSA-N 0 3 264.325 2.106 20 5 CEBDHN CCC[C@@](C)(N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037621363 361913978 /nfs/dbraw/zinc/91/39/78/361913978.db2.gz CMNIGMWXYDIWBK-CYBMUJFWSA-N 0 3 265.313 2.359 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2COC[C@@H]2C2CC2)c1 ZINC000725270122 539215143 /nfs/dbraw/zinc/21/51/43/539215143.db2.gz XTRIRKDTVKOOAI-KGLIPLIRSA-N 0 3 262.309 2.109 20 5 CEBDHN CC(C)CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000049968862 343539804 /nfs/dbraw/zinc/53/98/04/343539804.db2.gz ONAGHWVFYUQUJO-UHFFFAOYSA-N 0 3 277.368 2.368 20 5 CEBDHN Cc1cccc(C(=O)NC[C@H](C)N2CCCC2)c1[N+](=O)[O-] ZINC000046408460 343498730 /nfs/dbraw/zinc/49/87/30/343498730.db2.gz IZWCTWDIYLBQNP-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC)[C@@H](C)O ZINC000449543721 282277969 /nfs/dbraw/zinc/27/79/69/282277969.db2.gz OTCLNRAJSNYSMO-MFKMUULPSA-N 0 3 282.340 2.243 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000052103360 343556364 /nfs/dbraw/zinc/55/63/64/343556364.db2.gz BLISICKUWMENRR-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000057714283 343636710 /nfs/dbraw/zinc/63/67/10/343636710.db2.gz LIYWDHVGIVONEZ-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000068910859 343777011 /nfs/dbraw/zinc/77/70/11/343777011.db2.gz LUIFXDUXALJXOQ-GFCCVEGCSA-N 0 3 297.330 2.257 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000068911112 343777126 /nfs/dbraw/zinc/77/71/26/343777126.db2.gz IOHMGXYYLLYORM-GFCCVEGCSA-N 0 3 297.330 2.257 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN([C@@H]1CCCC[C@@H]1O)C2 ZINC000089940919 344133069 /nfs/dbraw/zinc/13/30/69/344133069.db2.gz PUXJAYLLJSKIIY-CABCVRRESA-N 0 3 276.336 2.256 20 5 CEBDHN CCCN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602445980 347035519 /nfs/dbraw/zinc/03/55/19/347035519.db2.gz YIDVARXWMLKGOO-UHFFFAOYSA-N 0 3 254.334 2.196 20 5 CEBDHN CCOc1cc(N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000117092495 344288129 /nfs/dbraw/zinc/28/81/29/344288129.db2.gz OXFZOAKKIJCYMB-UHFFFAOYSA-N 0 3 279.340 2.135 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1CO ZINC000449706810 282336544 /nfs/dbraw/zinc/33/65/44/282336544.db2.gz OJXABOIZTZEMMC-BXUZGUMPSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1c(Cn2cc([C@@H](N)C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000313466009 344742433 /nfs/dbraw/zinc/74/24/33/344742433.db2.gz XNEPNELPOQLMOC-AWEZNQCLSA-N 0 3 289.339 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CCN(C4CC4)C3)c2c1 ZINC000315888729 344748250 /nfs/dbraw/zinc/74/82/50/344748250.db2.gz BGEWMGPVCNWAAO-SNVBAGLBSA-N 0 3 299.334 2.187 20 5 CEBDHN CC(C)c1ccc(CN[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449750815 282353705 /nfs/dbraw/zinc/35/37/05/282353705.db2.gz WSJIUOSUKFCSBA-TXEJJXNPSA-N 0 3 264.325 2.331 20 5 CEBDHN CN1CC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000302581416 344703912 /nfs/dbraw/zinc/70/39/12/344703912.db2.gz RRBVTYOZRSERNJ-QMMMGPOBSA-N 0 3 270.720 2.007 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561106 347077833 /nfs/dbraw/zinc/07/78/33/347077833.db2.gz COTLNPMAUNZUOS-WCQYABFASA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1c(CN(CCCO)C2CC2)cccc1[N+](=O)[O-] ZINC000404226129 344878586 /nfs/dbraw/zinc/87/85/86/344878586.db2.gz ASVFEQVJBUWTIZ-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCNCc1ccns1 ZINC000404274005 344879162 /nfs/dbraw/zinc/87/91/62/344879162.db2.gz MMPBPTHLINZLFN-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN C[C@H](CF)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000589207909 345072177 /nfs/dbraw/zinc/07/21/77/345072177.db2.gz ZIRCTCYIEBKFLE-NXEZZACHSA-N 0 3 283.303 2.260 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000591435534 345253045 /nfs/dbraw/zinc/25/30/45/345253045.db2.gz GETCZPCYFLVLSD-TXEJJXNPSA-N 0 3 261.325 2.234 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593068809 345433082 /nfs/dbraw/zinc/43/30/82/345433082.db2.gz PJIATGFDRAFEPM-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCC2(CO)CCC2)cs1 ZINC000593693271 345522622 /nfs/dbraw/zinc/52/26/22/345522622.db2.gz KFMHIGJJBJEKBM-UHFFFAOYSA-N 0 3 270.354 2.299 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)CCO ZINC000593694739 345523405 /nfs/dbraw/zinc/52/34/05/345523405.db2.gz RBTGXXJYXGXGSQ-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN COCC1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594516185 345642444 /nfs/dbraw/zinc/64/24/44/345642444.db2.gz UPTBCNFXQCLMMA-UHFFFAOYSA-N 0 3 280.324 2.120 20 5 CEBDHN Cc1nn(C)c(N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594600473 345656892 /nfs/dbraw/zinc/65/68/92/345656892.db2.gz LJVGODVRDUISFQ-RYUDHWBXSA-N 0 3 293.371 2.066 20 5 CEBDHN CC1(C)C[C@@H](NC/C=C/CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071653 345739242 /nfs/dbraw/zinc/73/92/42/345739242.db2.gz PSILMJXAOMJVOP-RDFMZFSFSA-N 0 3 276.336 2.455 20 5 CEBDHN COc1ncc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000602580241 347087300 /nfs/dbraw/zinc/08/73/00/347087300.db2.gz LTLZVBRTXLAIID-UHFFFAOYSA-N 0 3 293.348 2.392 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)CC2CC2)cs1 ZINC000594985024 345721897 /nfs/dbraw/zinc/72/18/97/345721897.db2.gz YOLQBSVWDLZDHC-JTQLQIEISA-N 0 3 270.354 2.155 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1C[C@H](O)C1 ZINC000595000891 345723737 /nfs/dbraw/zinc/72/37/37/345723737.db2.gz MWHAZHKHZQNIGQ-PCDJXCHMSA-N 0 3 262.309 2.111 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCN1C ZINC000595010876 345726101 /nfs/dbraw/zinc/72/61/01/345726101.db2.gz ZNPDQBYWIQBYLE-DGCLKSJQSA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@](C)(O)C1CC1 ZINC000595016079 345727360 /nfs/dbraw/zinc/72/73/60/345727360.db2.gz GZSZTGQNOZDNHB-MEBBXXQBSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CCOCC1 ZINC000595017315 345727889 /nfs/dbraw/zinc/72/78/89/345727889.db2.gz MJYVWRKUHWAQNC-JTQLQIEISA-N 0 3 280.324 2.433 20 5 CEBDHN CC[C@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020795 345728831 /nfs/dbraw/zinc/72/88/31/345728831.db2.gz NTDYMVLQEDZGJW-JQWIXIFHSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[C@@H](CO)C1 ZINC000595041483 345733306 /nfs/dbraw/zinc/73/33/06/345733306.db2.gz MBFUETFWQWOAAM-UTUOFQBUSA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595829377 345888377 /nfs/dbraw/zinc/88/83/77/345888377.db2.gz HJAQJOHZDGSILA-STQMWFEESA-N 0 3 262.309 2.063 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[C@H]2C1 ZINC000595808975 345880802 /nfs/dbraw/zinc/88/08/02/345880802.db2.gz PXEZTOJNCJRQCC-QWRGUYRKSA-N 0 3 262.309 2.445 20 5 CEBDHN C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000596148073 345952206 /nfs/dbraw/zinc/95/22/06/345952206.db2.gz YXNJXJAZOJGDMQ-VIFPVBQESA-N 0 3 282.344 2.084 20 5 CEBDHN Cc1cc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])s1 ZINC000596241454 345978536 /nfs/dbraw/zinc/97/85/36/345978536.db2.gz FNGYIPMTEUPFTF-ZDUSSCGKSA-N 0 3 281.381 2.497 20 5 CEBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000596455438 346027881 /nfs/dbraw/zinc/02/78/81/346027881.db2.gz ZIXCTLVMNYHUNN-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597075989 346124062 /nfs/dbraw/zinc/12/40/62/346124062.db2.gz NSQILFAHHGZTLS-GXTWGEPZSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCCC2)c1 ZINC000062351371 362718022 /nfs/dbraw/zinc/71/80/22/362718022.db2.gz JTQMEECZHBGGRC-ZDUSSCGKSA-N 0 3 250.298 2.114 20 5 CEBDHN CO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000599015756 346445899 /nfs/dbraw/zinc/44/58/99/346445899.db2.gz OEAOKTGEYGAGRL-AULYBMBSSA-N 0 3 250.298 2.170 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCCF)CC2 ZINC000351729489 219189525 /nfs/dbraw/zinc/18/95/25/219189525.db2.gz GKMYROAXMHUMKH-UHFFFAOYSA-N 0 3 253.277 2.098 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065966 346454834 /nfs/dbraw/zinc/45/48/34/346454834.db2.gz LULRIDBPZCBDTL-TUKIKUTGSA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599180737 346475236 /nfs/dbraw/zinc/47/52/36/346475236.db2.gz PEQJFECFXQFFNQ-WCBMZHEXSA-N 0 3 284.747 2.220 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc([C@H]3CNCCO3)cc2)cn1 ZINC000600789934 346690557 /nfs/dbraw/zinc/69/05/57/346690557.db2.gz URLGKLWUXJFEBD-CQSZACIVSA-N 0 3 285.303 2.318 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601104596 346753591 /nfs/dbraw/zinc/75/35/91/346753591.db2.gz AZXUXSUTJFFCAD-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN CC[C@@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602787156 347198309 /nfs/dbraw/zinc/19/83/09/347198309.db2.gz ITCBFVLNJUHCJI-ZDUSSCGKSA-N 0 3 266.345 2.222 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@H](C)C1 ZINC000602801896 347204920 /nfs/dbraw/zinc/20/49/20/347204920.db2.gz VPGJZMSVKKRBGO-GHMZBOCLSA-N 0 3 266.345 2.078 20 5 CEBDHN CC(C)C(NCc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602805964 347206812 /nfs/dbraw/zinc/20/68/12/347206812.db2.gz QFKHDXCRBVQDFV-UHFFFAOYSA-N 0 3 254.334 2.099 20 5 CEBDHN C[C@@H]1CC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810783 347209203 /nfs/dbraw/zinc/20/92/03/347209203.db2.gz JCRMVAHKEQNNEQ-JFGNBEQYSA-N 0 3 266.345 2.243 20 5 CEBDHN CCC[C@]1(COC)CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819980 347212970 /nfs/dbraw/zinc/21/29/70/347212970.db2.gz VYWUIWQBXZBHLQ-CQSZACIVSA-N 0 3 296.371 2.109 20 5 CEBDHN CC[C@]1(O)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000602740019 347181378 /nfs/dbraw/zinc/18/13/78/347181378.db2.gz QAOSUFHEENVYLQ-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN CSC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602839377 347220211 /nfs/dbraw/zinc/22/02/11/347220211.db2.gz ILYGMNOHTJSKMD-GFCCVEGCSA-N 0 3 298.412 2.175 20 5 CEBDHN C[C@@H]1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2)O1 ZINC000128467963 187372562 /nfs/dbraw/zinc/37/25/62/187372562.db2.gz PKTKOLDYHASSOM-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H](O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000086014608 179215214 /nfs/dbraw/zinc/21/52/14/179215214.db2.gz QPQRFCZMFYDDBN-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603206307 347309002 /nfs/dbraw/zinc/30/90/02/347309002.db2.gz QKOYTWMPIKWMEZ-SECBINFHSA-N 0 3 281.341 2.096 20 5 CEBDHN CCN1CCN([C@H](C)CNc2ccsc2[N+](=O)[O-])CC1 ZINC000610514954 347688057 /nfs/dbraw/zinc/68/80/57/347688057.db2.gz UXTHVNCXULPRQN-LLVKDONJSA-N 0 3 298.412 2.094 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(CC)CC1 ZINC000336840114 365912488 /nfs/dbraw/zinc/91/24/88/365912488.db2.gz PNAZXAYHSIFJHQ-UHFFFAOYSA-N 0 3 281.360 2.016 20 5 CEBDHN Cc1nc(N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000610754967 347711568 /nfs/dbraw/zinc/71/15/68/347711568.db2.gz SYAMOJMKFDIDCY-LBPRGKRZSA-N 0 3 276.340 2.194 20 5 CEBDHN CCn1cnnc1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611336012 347767706 /nfs/dbraw/zinc/76/77/06/347767706.db2.gz MGTPFEBOCWWNJJ-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C(C)(C)O ZINC000612580044 347903888 /nfs/dbraw/zinc/90/38/88/347903888.db2.gz BGHKYYDHZAFUOX-JTQLQIEISA-N 0 3 252.314 2.152 20 5 CEBDHN Cc1cc(NC(=O)N[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000613776707 348100008 /nfs/dbraw/zinc/10/00/08/348100008.db2.gz ORINODZFZYSSIN-GFCCVEGCSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339628051 215275503 /nfs/dbraw/zinc/27/55/03/215275503.db2.gz GEGPSRHKBLQDGP-CHWSQXEVSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccsc1 ZINC000619783600 349236377 /nfs/dbraw/zinc/23/63/77/349236377.db2.gz UDKMHXVOWYEDAA-SNVBAGLBSA-N 0 3 293.348 2.169 20 5 CEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000619566987 349199826 /nfs/dbraw/zinc/19/98/26/349199826.db2.gz FRHCBJOZWKDLKW-ZDUSSCGKSA-N 0 3 291.351 2.151 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCCCCC1 ZINC000091554065 180189616 /nfs/dbraw/zinc/18/96/16/180189616.db2.gz IDADJYQFGSVSRU-UHFFFAOYSA-N 0 3 295.387 2.408 20 5 CEBDHN Cc1ccc([O-])c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000105448163 186057810 /nfs/dbraw/zinc/05/78/10/186057810.db2.gz QCVHIZNYNYNKKG-UHFFFAOYSA-N 0 3 287.319 2.336 20 5 CEBDHN CC[C@H](c1ccncc1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000091992861 180300551 /nfs/dbraw/zinc/30/05/51/180300551.db2.gz PSMUTXCHVBRACE-CQSZACIVSA-N 0 3 289.339 2.269 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCOC1 ZINC000107687773 186186352 /nfs/dbraw/zinc/18/63/52/186186352.db2.gz KIEXZMUULBLKSF-GFCCVEGCSA-N 0 3 294.351 2.462 20 5 CEBDHN COc1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000111048951 186348164 /nfs/dbraw/zinc/34/81/64/186348164.db2.gz SKXDZFOIRJXILH-NSHDSACASA-N 0 3 277.324 2.252 20 5 CEBDHN CCOc1cc(CN(CC)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000352224187 219372895 /nfs/dbraw/zinc/37/28/95/219372895.db2.gz ZPPHHICHOWMYQH-NSHDSACASA-N 0 3 282.340 2.196 20 5 CEBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070069762 363025496 /nfs/dbraw/zinc/02/54/96/363025496.db2.gz SZZFAZHGCRFHDS-SNVBAGLBSA-N 0 3 297.742 2.024 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC2CCOCC2)cs1 ZINC000070161011 363039902 /nfs/dbraw/zinc/03/99/02/363039902.db2.gz XCNOTPRBMODRCB-UHFFFAOYSA-N 0 3 256.327 2.173 20 5 CEBDHN Cc1cc(C(=O)NCCN2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122036929 187011266 /nfs/dbraw/zinc/01/12/66/187011266.db2.gz SCZDHFJLYWTFAV-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN C[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122318352 187026329 /nfs/dbraw/zinc/02/63/29/187026329.db2.gz VIRKPLISKMVXNQ-YPMHNXCESA-N 0 3 275.352 2.310 20 5 CEBDHN CO[C@]1(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123193355 187076832 /nfs/dbraw/zinc/07/68/32/187076832.db2.gz SXTOKOMDMVRIAS-WFASDCNBSA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@@H](NC[C@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458970 191150826 /nfs/dbraw/zinc/15/08/26/191150826.db2.gz FSIAPDURRFKWCE-ABAIWWIYSA-N 0 3 287.319 2.374 20 5 CEBDHN CC[C@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908807 366098113 /nfs/dbraw/zinc/09/81/13/366098113.db2.gz DEVIPXAXOJRZPO-ZYHUDNBSSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000133496120 366229798 /nfs/dbraw/zinc/22/97/98/366229798.db2.gz MIFSCERBTSJQHQ-WDEREUQCSA-N 0 3 276.340 2.335 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451634581 283058891 /nfs/dbraw/zinc/05/88/91/283058891.db2.gz RUYXKVPKPSOQFL-OSAQELSMSA-N 0 3 275.352 2.292 20 5 CEBDHN C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000076117538 363523242 /nfs/dbraw/zinc/52/32/42/363523242.db2.gz HKINGBBAQVZGBT-LLVKDONJSA-N 0 3 250.298 2.458 20 5 CEBDHN C[C@H](CO)[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000134980263 366381123 /nfs/dbraw/zinc/38/11/23/366381123.db2.gz VFGUXTDJEXRYPI-BDAKNGLRSA-N 0 3 272.732 2.355 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158431479 283280730 /nfs/dbraw/zinc/28/07/30/283280730.db2.gz RDGAEBCSTONYSM-JTQLQIEISA-N 0 3 279.340 2.018 20 5 CEBDHN CN(C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000145242944 366572648 /nfs/dbraw/zinc/57/26/48/366572648.db2.gz CJVYOVSLXXQDKM-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN Cc1nc(N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000151525492 366650848 /nfs/dbraw/zinc/65/08/48/366650848.db2.gz ZPJZHQOTVKKRER-ONGXEEELSA-N 0 3 276.340 2.335 20 5 CEBDHN COC(=O)[C@@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000177434687 189051202 /nfs/dbraw/zinc/05/12/02/189051202.db2.gz DGTFHVMXCKONDC-HNNXBMFYSA-N 0 3 292.335 2.288 20 5 CEBDHN CC[C@@H](NC[C@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178380030 189111652 /nfs/dbraw/zinc/11/16/52/189111652.db2.gz FMEIXHXGTWGATP-HUUCEWRRSA-N 0 3 296.367 2.423 20 5 CEBDHN C[C@@H](NCCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178591183 189129425 /nfs/dbraw/zinc/12/94/25/189129425.db2.gz QJUWFQZXZTWZSR-LLVKDONJSA-N 0 3 293.323 2.088 20 5 CEBDHN COC[C@@H](C)N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179368156 189189249 /nfs/dbraw/zinc/18/92/49/189189249.db2.gz FISLKDOILWFMGV-LLVKDONJSA-N 0 3 252.314 2.370 20 5 CEBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000179565308 189202191 /nfs/dbraw/zinc/20/21/91/189202191.db2.gz KTFACANHYKLGNZ-UHFFFAOYSA-N 0 3 292.314 2.455 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1[O-] ZINC000580096518 366751325 /nfs/dbraw/zinc/75/13/25/366751325.db2.gz HUUSJRBETBFZAX-WDAIWFPHSA-N 0 3 278.308 2.197 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N1CCNC[C@@](C)(F)C1 ZINC000580294858 366777141 /nfs/dbraw/zinc/77/71/41/366777141.db2.gz ZUEMFODOJPDXBQ-CYBMUJFWSA-N 0 3 267.304 2.041 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCOC1 ZINC000183388842 189357765 /nfs/dbraw/zinc/35/77/65/189357765.db2.gz BZUJYKOPGDHADF-GFCCVEGCSA-N 0 3 264.325 2.372 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428930 361534458 /nfs/dbraw/zinc/53/44/58/361534458.db2.gz HJPUPYWYQCWJNP-UFBFGSQYSA-N 0 3 265.313 2.215 20 5 CEBDHN CC1(C)CNCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000088139001 363879074 /nfs/dbraw/zinc/87/90/74/363879074.db2.gz IGXNUIALIYRKJO-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN Cc1noc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000089518806 363976828 /nfs/dbraw/zinc/97/68/28/363976828.db2.gz XWDUIVLLBUFORB-VIFPVBQESA-N 0 3 276.296 2.180 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000090795387 364066102 /nfs/dbraw/zinc/06/61/02/364066102.db2.gz OGHOLTIOHHYWBC-WDEREUQCSA-N 0 3 279.340 2.498 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@@H]2C1 ZINC000094461318 364275423 /nfs/dbraw/zinc/27/54/23/364275423.db2.gz DXDSYVGOVQEGEN-CYBMUJFWSA-N 0 3 289.335 2.082 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000192250522 189617966 /nfs/dbraw/zinc/61/79/66/189617966.db2.gz DWPZKCVJPOBGND-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112309316 364789205 /nfs/dbraw/zinc/78/92/05/364789205.db2.gz YYVZXSVYNPJIJC-UHFFFAOYSA-N 0 3 297.330 2.196 20 5 CEBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000112983644 364861622 /nfs/dbraw/zinc/86/16/22/364861622.db2.gz GICYMOBEQQKYGH-UHFFFAOYSA-N 0 3 291.351 2.290 20 5 CEBDHN COC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000112989209 364865572 /nfs/dbraw/zinc/86/55/72/364865572.db2.gz YCBJDCLJIWKIBP-LBPRGKRZSA-N 0 3 264.325 2.453 20 5 CEBDHN CN(CCN1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000118887926 365188452 /nfs/dbraw/zinc/18/84/52/365188452.db2.gz VGOUXYGDIBCYKM-UHFFFAOYSA-N 0 3 269.370 2.184 20 5 CEBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275537328 193070344 /nfs/dbraw/zinc/07/03/44/193070344.db2.gz YFJSGCSSSSTNRW-CQSZACIVSA-N 0 3 278.352 2.230 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(OCCN2CCCCC2)c1 ZINC000582724660 366948848 /nfs/dbraw/zinc/94/88/48/366948848.db2.gz ASPRZOIDWFMGEL-UHFFFAOYSA-N 0 3 280.324 2.468 20 5 CEBDHN CCN1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000162604666 367174454 /nfs/dbraw/zinc/17/44/54/367174454.db2.gz GXUALHQFEZJDON-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000162912199 367203210 /nfs/dbraw/zinc/20/32/10/367203210.db2.gz UQMGGMNSXKIGOS-ZJUUUORDSA-N 0 3 291.307 2.251 20 5 CEBDHN Cc1cccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343424478 367806909 /nfs/dbraw/zinc/80/69/09/367806909.db2.gz DOYGAIRPAGCIBI-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000174419173 368021584 /nfs/dbraw/zinc/02/15/84/368021584.db2.gz XJZCAZSTQCWHAB-NSHDSACASA-N 0 3 250.298 2.458 20 5 CEBDHN C[C@@H](NCCC1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000185381139 368801257 /nfs/dbraw/zinc/80/12/57/368801257.db2.gz CMRARXWMEFWWGF-SNVBAGLBSA-N 0 3 266.297 2.008 20 5 CEBDHN Cc1cc(NC[C@H](C)N2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348177088 368934786 /nfs/dbraw/zinc/93/47/86/368934786.db2.gz HAYYWTJHLMTERE-OLZOCXBDSA-N 0 3 292.383 2.395 20 5 CEBDHN Cc1sc(C(=O)N(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000186759738 369036021 /nfs/dbraw/zinc/03/60/21/369036021.db2.gz BNDGHIUMTLVKIY-UHFFFAOYSA-N 0 3 297.380 2.131 20 5 CEBDHN Cc1ccc(C(=O)NCC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000276025446 193192159 /nfs/dbraw/zinc/19/21/59/193192159.db2.gz RBUNHVZRZWWGCY-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C/C=C\C[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000349829392 369414851 /nfs/dbraw/zinc/41/48/51/369414851.db2.gz OVVNQWWXKIIAGI-VSQXVHSFSA-N 0 3 280.324 2.020 20 5 CEBDHN CN1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000350255031 369528447 /nfs/dbraw/zinc/52/84/47/369528447.db2.gz LQIMPTKPATYECY-ZETCQYMHSA-N 0 3 280.309 2.125 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCCO ZINC000276336367 193290827 /nfs/dbraw/zinc/29/08/27/193290827.db2.gz GMOJGXZSVMMRLF-LLVKDONJSA-N 0 3 252.314 2.360 20 5 CEBDHN C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000191175305 369687712 /nfs/dbraw/zinc/68/77/12/369687712.db2.gz SLYUHQDAQBMZBN-XARUKTKKSA-N 0 3 276.336 2.311 20 5 CEBDHN COc1ccc(CN[C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000352910163 369944917 /nfs/dbraw/zinc/94/49/17/369944917.db2.gz KAGZIYGAMQZQBQ-CQSZACIVSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1ccc(CN[C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353152735 370042250 /nfs/dbraw/zinc/04/22/50/370042250.db2.gz MUJLVSYYVPKOBP-CQSZACIVSA-N 0 3 266.341 2.400 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000195222065 370115839 /nfs/dbraw/zinc/11/58/39/370115839.db2.gz AXNQFXBXPDNYBX-LBPRGKRZSA-N 0 3 250.298 2.063 20 5 CEBDHN COCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000212054869 370164301 /nfs/dbraw/zinc/16/43/01/370164301.db2.gz JAUOZLHHVSBZTA-FLIBITNWSA-N 0 3 250.298 2.234 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000222999355 370259927 /nfs/dbraw/zinc/25/99/27/370259927.db2.gz NJZAEMZQLHRKIH-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N(C)C ZINC000227649080 370378678 /nfs/dbraw/zinc/37/86/78/370378678.db2.gz JUKXGJUYXCFJOG-SSDOTTSWSA-N 0 3 258.709 2.005 20 5 CEBDHN CCC[C@@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000226249797 370331347 /nfs/dbraw/zinc/33/13/47/370331347.db2.gz NJGRACAWNRNPHH-LLVKDONJSA-N 0 3 258.343 2.297 20 5 CEBDHN COc1ccc(CN(C)CCCCCO)cc1[N+](=O)[O-] ZINC000231730364 370492167 /nfs/dbraw/zinc/49/21/67/370492167.db2.gz OTIMWUYDOMLPFO-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000355194552 370543757 /nfs/dbraw/zinc/54/37/57/370543757.db2.gz WEXOUWWWNQGAMO-SQWULWQPSA-N 0 3 276.336 2.311 20 5 CEBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000235123850 370556506 /nfs/dbraw/zinc/55/65/06/370556506.db2.gz UOWANTZNWTZEIU-ZETCQYMHSA-N 0 3 258.709 2.005 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000250121855 371377461 /nfs/dbraw/zinc/37/74/61/371377461.db2.gz VMEQZBTXINHNGU-BFHYXJOUSA-N 0 3 262.309 2.252 20 5 CEBDHN COc1ccc(NC(=O)C2(N)CCCCC2)cc1[N+](=O)[O-] ZINC000261599222 371670449 /nfs/dbraw/zinc/67/04/49/371670449.db2.gz SLZKJZKSNUGOMV-UHFFFAOYSA-N 0 3 293.323 2.204 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000361152188 371683151 /nfs/dbraw/zinc/68/31/51/371683151.db2.gz HFJADDIHGJRQEW-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000344047185 217028166 /nfs/dbraw/zinc/02/81/66/217028166.db2.gz YRMPTPNCCWWLSH-LBPRGKRZSA-N 0 3 293.367 2.125 20 5 CEBDHN Cc1nc(N(C)C[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000268512138 372123387 /nfs/dbraw/zinc/12/33/87/372123387.db2.gz SDDKSSCYFXVFGV-GFCCVEGCSA-N 0 3 278.356 2.076 20 5 CEBDHN Cc1nc(NCCN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268512313 372123552 /nfs/dbraw/zinc/12/35/52/372123552.db2.gz SJSXGHPKQPOLOR-NSHDSACASA-N 0 3 278.356 2.442 20 5 CEBDHN Cc1c([C@@H](C)NCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000268921122 372287156 /nfs/dbraw/zinc/28/71/56/372287156.db2.gz WTDOAGQFGSWITL-MWLCHTKSSA-N 0 3 252.314 2.325 20 5 CEBDHN COc1ccc(CN[C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344332539 217155523 /nfs/dbraw/zinc/15/55/23/217155523.db2.gz OGRVMLBQOLKSLP-AAEUAGOBSA-N 0 3 293.367 2.176 20 5 CEBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000269630550 372510767 /nfs/dbraw/zinc/51/07/67/372510767.db2.gz FLZSDKWGCHGAJF-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN CCNC(=O)[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344870148 217340054 /nfs/dbraw/zinc/34/00/54/217340054.db2.gz XKOMUUJAWMJKRA-KGTBHZDVSA-N 0 3 291.351 2.112 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCCCCC[C@@H]32)n1 ZINC000369454109 373418899 /nfs/dbraw/zinc/41/88/99/373418899.db2.gz YAPASJIMRWHUTR-STQMWFEESA-N 0 3 278.356 2.446 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCCCCC[C@H]32)c1 ZINC000369454423 373421081 /nfs/dbraw/zinc/42/10/81/373421081.db2.gz ZZPMUAMFLQXUMQ-TZMCWYRMSA-N 0 3 278.356 2.446 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385857999 375245655 /nfs/dbraw/zinc/24/56/55/375245655.db2.gz YYWYMAVNIBPZCA-FZMZJTMJSA-N 0 3 294.351 2.196 20 5 CEBDHN CCN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282252713 375440347 /nfs/dbraw/zinc/44/03/47/375440347.db2.gz RJZGTCSOWRZRAC-UHFFFAOYSA-N 0 3 264.329 2.073 20 5 CEBDHN Cc1ccc(NC(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000414667382 375908057 /nfs/dbraw/zinc/90/80/57/375908057.db2.gz XPMXBDPJCGICEK-GHMZBOCLSA-N 0 3 292.339 2.117 20 5 CEBDHN CC[C@H](CN(C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000419271296 376421692 /nfs/dbraw/zinc/42/16/92/376421692.db2.gz SFCITVROLYSSIW-CQSZACIVSA-N 0 3 266.341 2.494 20 5 CEBDHN Cc1nnc(CCNCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000289914453 376556604 /nfs/dbraw/zinc/55/66/04/376556604.db2.gz RWPKYUMDOGNXPF-UHFFFAOYSA-N 0 3 292.364 2.395 20 5 CEBDHN C[C@H](O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000264689061 190128921 /nfs/dbraw/zinc/12/89/21/190128921.db2.gz DBYCEMZPDKTJJH-LBPRGKRZSA-N 0 3 294.351 2.066 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCCC1(C)C ZINC000331103508 377282428 /nfs/dbraw/zinc/28/24/28/377282428.db2.gz FLBXKSSRNMRQAY-NSHDSACASA-N 0 3 266.345 2.387 20 5 CEBDHN CO[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768060 377748208 /nfs/dbraw/zinc/74/82/08/377748208.db2.gz RWIZKODKGMDDIG-OTYXRUKQSA-N 0 3 279.340 2.253 20 5 CEBDHN CC[C@@H](CO)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293898508 377814510 /nfs/dbraw/zinc/81/45/10/377814510.db2.gz HCCOUGAJPNJARS-JTQLQIEISA-N 0 3 272.732 2.451 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](O)CC1 ZINC000294167421 377926322 /nfs/dbraw/zinc/92/63/22/377926322.db2.gz WFTMGTSXPAUHRQ-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000299230872 378936380 /nfs/dbraw/zinc/93/63/80/378936380.db2.gz GKIQCQVKBGYCGS-UHFFFAOYSA-N 0 3 297.330 2.257 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC[C@H](C)O ZINC000278587271 194058843 /nfs/dbraw/zinc/05/88/43/194058843.db2.gz GNDKDQJLTKEAOP-NSHDSACASA-N 0 3 282.340 2.244 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000514738576 379144642 /nfs/dbraw/zinc/14/46/42/379144642.db2.gz IORLEBUUXDBGCA-WDMOLILDSA-N 0 3 274.320 2.109 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000278851644 194183277 /nfs/dbraw/zinc/18/32/77/194183277.db2.gz QLLZPXUGNJLWFB-HUBLWGQQSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1nn(C)c(N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301307717 379252818 /nfs/dbraw/zinc/25/28/18/379252818.db2.gz ZWWCSNAMDDNHMH-NSHDSACASA-N 0 3 293.371 2.066 20 5 CEBDHN CNC(=O)[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266541584 190265340 /nfs/dbraw/zinc/26/53/40/190265340.db2.gz QGTYQJMHSDIPHD-VXGBXAGGSA-N 0 3 291.351 2.114 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)C(C)C ZINC000304071205 379520999 /nfs/dbraw/zinc/52/09/99/379520999.db2.gz VLHWEOQZOGHEFZ-HNNXBMFYSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1ccnc(NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267032409 190298121 /nfs/dbraw/zinc/29/81/21/190298121.db2.gz BGQNJPMSSAWREK-ZDUSSCGKSA-N 0 3 296.396 2.147 20 5 CEBDHN COc1ccc(CN2CCC[C@@H]2C(C)(C)O)cc1[N+](=O)[O-] ZINC000305254412 379699323 /nfs/dbraw/zinc/69/93/23/379699323.db2.gz MXPPQROGCVPKBS-CQSZACIVSA-N 0 3 294.351 2.339 20 5 CEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000457120211 379678308 /nfs/dbraw/zinc/67/83/08/379678308.db2.gz NXIQFNSFDQJUKY-NSHDSACASA-N 0 3 297.380 2.211 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1CN(C)C ZINC000267448961 190331157 /nfs/dbraw/zinc/33/11/57/190331157.db2.gz DVJDFAPJMLNHFD-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CN(C)C/C=C\C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000492061180 380434931 /nfs/dbraw/zinc/43/49/31/380434931.db2.gz YQGBVWIQUPHECC-WAYWQWQTSA-N 0 3 291.351 2.064 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1CCO ZINC000279236746 194347030 /nfs/dbraw/zinc/34/70/30/194347030.db2.gz JQFSLBYPRGOGGX-RISCZKNCSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(C)CCN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288487969 197092728 /nfs/dbraw/zinc/09/27/28/197092728.db2.gz RKOHRAKZJVWGQX-UHFFFAOYSA-N 0 3 257.721 2.246 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](N(C)C)C1 ZINC000091395281 135069033 /nfs/dbraw/zinc/06/90/33/135069033.db2.gz OSJKCBHOXUPZQQ-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN NC(=O)[C@H]1CC[C@H](CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000421364411 394511287 /nfs/dbraw/zinc/51/12/87/394511287.db2.gz RYMKKGGUEZJVFY-HOMQSWHASA-N 0 3 297.380 2.038 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000421364415 394511620 /nfs/dbraw/zinc/51/16/20/394511620.db2.gz RZCGPXROGKXLFR-FZMZJTMJSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)CN(C)C1CC1 ZINC000315043468 394544638 /nfs/dbraw/zinc/54/46/38/394544638.db2.gz XVZKVDBRNOUMBO-CYBMUJFWSA-N 0 3 294.351 2.046 20 5 CEBDHN C[C@@H](CO)[C@@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077420990 394622223 /nfs/dbraw/zinc/62/22/23/394622223.db2.gz PVUWDFWOMUMULR-DTWKUNHWSA-N 0 3 272.732 2.355 20 5 CEBDHN CC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270931547 394741982 /nfs/dbraw/zinc/74/19/82/394741982.db2.gz UHHURTIFXIFLGA-AWEZNQCLSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1cc(N(C)[C@H]2CCN(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268197351 394691296 /nfs/dbraw/zinc/69/12/96/394691296.db2.gz WWCLTXMRASIINV-NEPJUHHUSA-N 0 3 278.356 2.075 20 5 CEBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000357049652 394693714 /nfs/dbraw/zinc/69/37/14/394693714.db2.gz YJTLMTGRAXFTHG-NWDGAFQWSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000414091495 394700520 /nfs/dbraw/zinc/70/05/20/394700520.db2.gz DHQOBYNGTWKWPU-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1c([C@H](C)N[C@@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063284 394710682 /nfs/dbraw/zinc/71/06/82/394710682.db2.gz YHXGIXYOARTHSS-JQWIXIFHSA-N 0 3 289.339 2.234 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]([C@H](C)O)C1 ZINC000272650206 394776043 /nfs/dbraw/zinc/77/60/43/394776043.db2.gz ZCAOFGMDUCKLBN-GRYCIOLGSA-N 0 3 264.325 2.359 20 5 CEBDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000340377574 394985002 /nfs/dbraw/zinc/98/50/02/394985002.db2.gz ULDMWEFMAYGISA-NSHDSACASA-N 0 3 292.339 2.153 20 5 CEBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000367478270 394963135 /nfs/dbraw/zinc/96/31/35/394963135.db2.gz BIGFHYDAQUBJGW-LBPRGKRZSA-N 0 3 278.356 2.303 20 5 CEBDHN CN1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292429757 395195379 /nfs/dbraw/zinc/19/53/79/395195379.db2.gz XEQAUYRUWGJTSZ-CYBMUJFWSA-N 0 3 296.758 2.175 20 5 CEBDHN CC(C)C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000185323479 395277811 /nfs/dbraw/zinc/27/78/11/395277811.db2.gz SBOGCQGDRBDURQ-AWEZNQCLSA-N 0 3 266.341 2.434 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000420642624 395399841 /nfs/dbraw/zinc/39/98/41/395399841.db2.gz WEPVBWMAWCKPBM-LLVKDONJSA-N 0 3 267.304 2.264 20 5 CEBDHN C[C@H](Cc1cnn(C)c1)NCc1ccc([N+](=O)[O-])cc1F ZINC000449591990 395556289 /nfs/dbraw/zinc/55/62/89/395556289.db2.gz XTLSZSMQXJLHDE-SNVBAGLBSA-N 0 3 292.314 2.188 20 5 CEBDHN CC1(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569545032 395579736 /nfs/dbraw/zinc/57/97/36/395579736.db2.gz SNPLCIFGKLISIF-UHFFFAOYSA-N 0 3 260.297 2.361 20 5 CEBDHN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@H]1C ZINC000347264062 400370587 /nfs/dbraw/zinc/37/05/87/400370587.db2.gz NHSBMMADDUNGIA-FZMZJTMJSA-N 0 3 292.335 2.287 20 5 CEBDHN CCCN1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000588081866 400614067 /nfs/dbraw/zinc/61/40/67/400614067.db2.gz FEVSCQVUPCNYNX-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@]1(NCc2cccc([N+](=O)[O-])c2)CCCOC1 ZINC000221345507 153310658 /nfs/dbraw/zinc/31/06/58/153310658.db2.gz SKVARISTZUAVEB-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@H](C[C@H](C)O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000228105440 153360240 /nfs/dbraw/zinc/36/02/40/153360240.db2.gz XXNLGYGBWJJMKD-BDAKNGLRSA-N 0 3 272.732 2.497 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCN(CC)CC1 ZINC000360891538 155395202 /nfs/dbraw/zinc/39/52/02/155395202.db2.gz KNWCDLCKDCZAAV-UHFFFAOYSA-N 0 3 295.387 2.040 20 5 CEBDHN Cc1c(CN(C)[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352661880 154324743 /nfs/dbraw/zinc/32/47/43/154324743.db2.gz ZJHCDPTWEYZSOE-KGLIPLIRSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)CC1CC1 ZINC000352787918 154341232 /nfs/dbraw/zinc/34/12/32/154341232.db2.gz LLTDXYSEGNRDJR-HYXAFXHYSA-N 0 3 276.336 2.312 20 5 CEBDHN C[C@@H]1CCOCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000374996837 157036097 /nfs/dbraw/zinc/03/60/97/157036097.db2.gz IBZCFHSDEDVSAR-GFCCVEGCSA-N 0 3 264.325 2.248 20 5 CEBDHN CC(C)[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000174699474 165114543 /nfs/dbraw/zinc/11/45/43/165114543.db2.gz LEMMYYYLUOJELH-OAHLLOKOSA-N 0 3 277.368 2.367 20 5 CEBDHN CCCO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853457 165118778 /nfs/dbraw/zinc/11/87/78/165118778.db2.gz QVTCQLCGBLKSAX-CQSZACIVSA-N 0 3 296.371 2.072 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCCC3)C2)c1 ZINC000174880165 165120111 /nfs/dbraw/zinc/12/01/11/165120111.db2.gz XPQWDEVTFHUWCC-UHFFFAOYSA-N 0 3 264.329 2.057 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)N(C)C)C1 ZINC000411938987 287152607 /nfs/dbraw/zinc/15/26/07/287152607.db2.gz NCQPMNKIMBIILY-NWDGAFQWSA-N 0 3 291.351 2.066 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCOC2)cs1 ZINC000038045173 174053377 /nfs/dbraw/zinc/05/33/77/174053377.db2.gz CTTMJVJTERPGTA-SECBINFHSA-N 0 3 256.327 2.173 20 5 CEBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044537724 175200096 /nfs/dbraw/zinc/20/00/96/175200096.db2.gz SDDPWQHBIWDKIT-SNVBAGLBSA-N 0 3 267.304 2.488 20 5 CEBDHN C[C@@H](N[C@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685522 175231590 /nfs/dbraw/zinc/23/15/90/175231590.db2.gz IZRRMCSFMLSICC-YPMHNXCESA-N 0 3 275.352 2.482 20 5 CEBDHN Cc1cnc(NC[C@@H](C)N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000078658805 177367457 /nfs/dbraw/zinc/36/74/57/177367457.db2.gz QWMQGABPHFYKRV-SNVBAGLBSA-N 0 3 264.329 2.193 20 5 CEBDHN CC(C)(CCCO)CNCc1ccccc1[N+](=O)[O-] ZINC000221389931 419465358 /nfs/dbraw/zinc/46/53/58/419465358.db2.gz HATHOQOKPSXGFX-UHFFFAOYSA-N 0 3 266.341 2.483 20 5 CEBDHN Cc1c([C@@H](C)NCCCCO)cccc1[N+](=O)[O-] ZINC000194227104 270294448 /nfs/dbraw/zinc/29/44/48/270294448.db2.gz WCIZSTDABIOCEZ-LLVKDONJSA-N 0 3 252.314 2.326 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1[O-] ZINC000424197033 271030156 /nfs/dbraw/zinc/03/01/56/271030156.db2.gz BDSVXPSQEWEHGZ-DOFRTFSJSA-N 0 3 278.308 2.197 20 5 CEBDHN COC(=O)CC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000424279421 271039200 /nfs/dbraw/zinc/03/92/00/271039200.db2.gz FYFYCADXPGDNHT-UHFFFAOYSA-N 0 3 278.308 2.026 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)CC(F)F ZINC000428639383 271284763 /nfs/dbraw/zinc/28/47/63/271284763.db2.gz JFKYWWKLSIPOFU-SNVBAGLBSA-N 0 3 274.267 2.009 20 5 CEBDHN CC[C@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000295976080 273744245 /nfs/dbraw/zinc/74/42/45/273744245.db2.gz KTPVQZMDBHADLG-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN CC[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592917 276427094 /nfs/dbraw/zinc/42/70/94/276427094.db2.gz QYNBFJOOHUEPDE-SMDDNHRTSA-N 0 3 264.325 2.333 20 5 CEBDHN COC(=O)[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272271862 277396200 /nfs/dbraw/zinc/39/62/00/277396200.db2.gz DEWVURCIFSPCRD-RYUDHWBXSA-N 0 3 292.335 2.459 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2CN(C)C)c1 ZINC000268589355 278864210 /nfs/dbraw/zinc/86/42/10/278864210.db2.gz HDIOKOINMUUNJQ-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134339466 280018490 /nfs/dbraw/zinc/01/84/90/280018490.db2.gz XSFRHBYMRQKCOS-UHFFFAOYSA-N 0 3 297.330 2.196 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H]1CO ZINC000249026196 280379933 /nfs/dbraw/zinc/37/99/33/280379933.db2.gz AJHWMVBFHMLOEF-IINYFYTJSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464567 281048068 /nfs/dbraw/zinc/04/80/68/281048068.db2.gz BNRQJBSSFMPAPD-BXKDBHETSA-N 0 3 285.294 2.243 20 5 CEBDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423464570 281048156 /nfs/dbraw/zinc/04/81/56/281048156.db2.gz BNRQJBSSFMPAPD-SKDRFNHKSA-N 0 3 285.294 2.243 20 5 CEBDHN CN1C[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425287955 281185956 /nfs/dbraw/zinc/18/59/56/281185956.db2.gz SKMGMILWJLSCLK-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000433172694 281372464 /nfs/dbraw/zinc/37/24/64/281372464.db2.gz DFHYUMICDIBXRL-JOYOIKCWSA-N 0 3 268.288 2.249 20 5 CEBDHN CC1CC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446848884 281787303 /nfs/dbraw/zinc/78/73/03/281787303.db2.gz KAQAMVLPFDYBRN-UHFFFAOYSA-N 0 3 260.297 2.359 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CCSC1 ZINC000158210852 289229466 /nfs/dbraw/zinc/22/94/66/289229466.db2.gz MGKKZQXNZGJWKY-BXUZGUMPSA-N 0 3 296.392 2.422 20 5 CEBDHN C[C@@H]1CCCC[C@@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000459610002 290194206 /nfs/dbraw/zinc/19/42/06/290194206.db2.gz KDNLOUQMCIICHM-ZWNOBZJWSA-N 0 3 266.345 2.387 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459769547 290233717 /nfs/dbraw/zinc/23/37/17/290233717.db2.gz HBWWZDHJQAELOL-YPMHNXCESA-N 0 3 280.324 2.261 20 5 CEBDHN C[C@H](NCCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000531712048 298116999 /nfs/dbraw/zinc/11/69/99/298116999.db2.gz CQSBGJNHODXHIE-WFASDCNBSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@H](NCCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000540426726 298264951 /nfs/dbraw/zinc/26/49/51/298264951.db2.gz GLPCSFVEFOGUPA-LBPRGKRZSA-N 0 3 291.351 2.258 20 5 CEBDHN C[C@H]1C[C@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548754397 313573426 /nfs/dbraw/zinc/57/34/26/313573426.db2.gz DUFXZKAFDIPMLD-QWRGUYRKSA-N 0 3 277.324 2.406 20 5 CEBDHN Cc1cc(N2CCNC[C@](C)(F)C2)c(F)cc1[N+](=O)[O-] ZINC000575974427 314228305 /nfs/dbraw/zinc/22/83/05/314228305.db2.gz DSNQFOVIMHGWBA-ZDUSSCGKSA-N 0 3 285.294 2.180 20 5 CEBDHN CC(C)O[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000577369779 314368893 /nfs/dbraw/zinc/36/88/93/314368893.db2.gz LYCRNRMKLFAKLE-OAHLLOKOSA-N 0 3 294.351 2.473 20 5 CEBDHN C[C@H](CC(C)(C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000385023249 321857245 /nfs/dbraw/zinc/85/72/45/321857245.db2.gz OUENDTXGAVWYOA-SECBINFHSA-N 0 3 270.304 2.373 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000584159364 327052773 /nfs/dbraw/zinc/05/27/73/327052773.db2.gz AWWHKWDHRCFOEE-SNVBAGLBSA-N 0 3 282.319 2.273 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297643 519776153 /nfs/dbraw/zinc/77/61/53/519776153.db2.gz JFLWAZZNHAMREK-LBPRGKRZSA-N 0 3 266.345 2.378 20 5 CEBDHN C[C@H](N[C@H](CO)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996092 533997762 /nfs/dbraw/zinc/99/77/62/533997762.db2.gz RIRKPWYDIGRTNG-SGMGOOAPSA-N 0 3 294.351 2.033 20 5 CEBDHN CC[C@@H](N[C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223966844 535808792 /nfs/dbraw/zinc/80/87/92/535808792.db2.gz KRMVUMLBTQTROA-TZMCWYRMSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049502231 524335847 /nfs/dbraw/zinc/33/58/47/524335847.db2.gz XXTBBFIHAAKMQQ-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)C1CC1 ZINC000068913543 524755076 /nfs/dbraw/zinc/75/50/76/524755076.db2.gz LFGNUIHIRJHZMP-VIFPVBQESA-N 0 3 294.311 2.398 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CCO)C(C)(C)C ZINC000183672505 525461220 /nfs/dbraw/zinc/46/12/20/525461220.db2.gz YCUUNYPGJKHEAW-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C)(CO)CC1 ZINC000184065646 525564549 /nfs/dbraw/zinc/56/45/49/525564549.db2.gz ZNKLUUCFIPYRSM-UHFFFAOYSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000363451727 527386198 /nfs/dbraw/zinc/38/61/98/527386198.db2.gz WWONRQGRBGWIGS-UONOGXRCSA-N 0 3 276.336 2.453 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977109 527773030 /nfs/dbraw/zinc/77/30/30/527773030.db2.gz GJPMJXOYMBGYAB-BYCMXARLSA-N 0 3 294.351 2.439 20 5 CEBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1 ZINC000124023657 574807036 /nfs/dbraw/zinc/80/70/36/574807036.db2.gz XONVNRMLKNLODW-UHFFFAOYSA-N 0 3 286.335 2.331 20 5 CEBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000747958733 575177176 /nfs/dbraw/zinc/17/71/76/575177176.db2.gz BDLQNYKXOIIQLR-LBPRGKRZSA-N 0 3 286.335 2.411 20 5 CEBDHN C[C@@H](CCO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000097439856 622665606 /nfs/dbraw/zinc/66/56/06/622665606.db2.gz NHWDJAHLLDVEIC-VIFPVBQESA-N 0 3 272.732 2.356 20 5 CEBDHN CSCC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932590827 622975419 /nfs/dbraw/zinc/97/54/19/622975419.db2.gz QRIZDYWTRXEHCU-UHFFFAOYSA-N 0 3 298.412 2.175 20 5 CEBDHN CC(C)=C[C@@H]1[C@H](C(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813103096 623019385 /nfs/dbraw/zinc/01/93/85/623019385.db2.gz NOGQAMIDZFIFBV-GMTAPVOTSA-N 0 3 255.314 2.433 20 5 CEBDHN CC(COC(=O)C[C@H]1CCc2sccc2C1=O)[N+](=O)[O-] ZINC000893047790 627968097 /nfs/dbraw/zinc/96/80/97/627968097.db2.gz ONZSXHOOOVKYPS-RKDXNWHRSA-N 0 3 297.332 2.092 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402153 634711685 /nfs/dbraw/zinc/71/16/85/634711685.db2.gz NJWLHGKQPPGQGT-CMPLNLGQSA-N 0 3 278.308 2.259 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000895434063 630182868 /nfs/dbraw/zinc/18/28/68/630182868.db2.gz OOQQOIJCVIQWKN-PEGIJTEDSA-N 0 3 278.308 2.197 20 5 CEBDHN C[C@H]1[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CCN1C ZINC000895734957 630324893 /nfs/dbraw/zinc/32/48/93/630324893.db2.gz BGPVCLBBWBRRSA-JQWIXIFHSA-N 0 3 290.367 2.373 20 5 CEBDHN C[C@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737323 630653422 /nfs/dbraw/zinc/65/34/22/630653422.db2.gz QYGPNAKVWNTXPM-KWQFWETISA-N 0 3 270.716 2.373 20 5 CEBDHN C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000801526817 631283480 /nfs/dbraw/zinc/28/34/80/631283480.db2.gz XXSFVLOFCQMGAR-MNOVXSKESA-N 0 3 281.331 2.258 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCO[C@H]1CCOC1 ZINC000927084449 632453035 /nfs/dbraw/zinc/45/30/35/632453035.db2.gz MJVXYGVVWRZITC-OCCSQVGLSA-N 0 3 294.351 2.359 20 5 CEBDHN Cc1ccccc1SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102195 632621841 /nfs/dbraw/zinc/62/18/41/632621841.db2.gz PCHUAGZDYDBYFT-JTQLQIEISA-N 0 3 269.322 2.296 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813102273 632622175 /nfs/dbraw/zinc/62/21/75/632622175.db2.gz CZXZKAWGRZPTEL-VXGBXAGGSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cccnc1 ZINC000813104377 632622339 /nfs/dbraw/zinc/62/23/39/632622339.db2.gz ZJXZWFCPMAPSLH-PWSUYJOCSA-N 0 3 266.297 2.030 20 5 CEBDHN CC(C)Oc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104275 632622992 /nfs/dbraw/zinc/62/29/92/632622992.db2.gz LJOSCXIMLWESPT-SNVBAGLBSA-N 0 3 267.281 2.296 20 5 CEBDHN CC[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105450 632623732 /nfs/dbraw/zinc/62/37/32/632623732.db2.gz ZNLNATVVZJVPHG-AAEUAGOBSA-N 0 3 265.309 2.464 20 5 CEBDHN Cc1nn(-c2ccccc2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106402 632624769 /nfs/dbraw/zinc/62/47/69/632624769.db2.gz CMLRVVKTPIXLEL-SNVBAGLBSA-N 0 3 289.291 2.003 20 5 CEBDHN Cc1nn(-c2ccccc2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106401 632624963 /nfs/dbraw/zinc/62/49/63/632624963.db2.gz CMLRVVKTPIXLEL-JTQLQIEISA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)Cc1csc(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813109299 632625872 /nfs/dbraw/zinc/62/58/72/632625872.db2.gz RDLCDCOROZSAJF-QMMMGPOBSA-N 0 3 286.353 2.192 20 5 CEBDHN Cc1ccc(SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110380 632626543 /nfs/dbraw/zinc/62/65/43/632626543.db2.gz ZEJZUKIMIOWLKZ-SNVBAGLBSA-N 0 3 269.322 2.296 20 5 CEBDHN CC(COC(=O)Cc1ccc(Cl)s1)[N+](=O)[O-] ZINC000813111227 632627383 /nfs/dbraw/zinc/62/73/83/632627383.db2.gz DEUFCSSSWPILAQ-ZCFIWIBFSA-N 0 3 263.702 2.152 20 5 CEBDHN CCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114570 632628476 /nfs/dbraw/zinc/62/84/76/632628476.db2.gz CWSUYXWGIDQZPJ-SNVBAGLBSA-N 0 3 267.281 2.297 20 5 CEBDHN CCC(CC)n1nc(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113434 632628614 /nfs/dbraw/zinc/62/86/14/632628614.db2.gz PVZYOAXIEQUMFC-JTQLQIEISA-N 0 3 283.328 2.375 20 5 CEBDHN O=[N+]([O-])CCNCCCOc1ccc2ccccc2c1 ZINC000905169145 635867853 /nfs/dbraw/zinc/86/78/53/635867853.db2.gz NSZYCSIKAAKXPA-UHFFFAOYSA-N 0 3 274.320 2.475 20 5 CEBDHN Cc1ccc2nc(C(=O)OCC(C)[N+](=O)[O-])ccc2c1 ZINC000816091299 633115307 /nfs/dbraw/zinc/11/53/07/633115307.db2.gz RGTFLQLFVCHHDE-JTQLQIEISA-N 0 3 274.276 2.365 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1-n1cccn1 ZINC000817739039 633732947 /nfs/dbraw/zinc/73/29/47/633732947.db2.gz GDVLKISBFDUVQQ-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1COC[C@@H]1C ZINC000903393777 635089929 /nfs/dbraw/zinc/08/99/29/635089929.db2.gz STQYFPZVBHOWMX-OUJBWJOFSA-N 0 3 280.324 2.289 20 5 CEBDHN C[C@@H](O)C1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000827585878 636359794 /nfs/dbraw/zinc/35/97/94/636359794.db2.gz QWPWPNUXSVDEMP-MRVPVSSYSA-N 0 3 270.716 2.251 20 5 CEBDHN COC[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616054 637621603 /nfs/dbraw/zinc/62/16/03/637621603.db2.gz QAHPKVLXAJKKIB-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(COC(=O)C[C@@H]1CSc2ccccc2O1)[N+](=O)[O-] ZINC000835455911 638263339 /nfs/dbraw/zinc/26/33/39/638263339.db2.gz QESJTXIOYKRCFB-NXEZZACHSA-N 0 3 297.332 2.138 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC[C@H](C)O ZINC000876746746 650417171 /nfs/dbraw/zinc/41/71/71/650417171.db2.gz VULYTYBJJDWMEG-NSHDSACASA-N 0 3 266.341 2.414 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCN(C2CC2)C1 ZINC000044725812 639358777 /nfs/dbraw/zinc/35/87/77/639358777.db2.gz HKWJFLXSKYMBPJ-VIFPVBQESA-N 0 3 265.288 2.383 20 5 CEBDHN C[C@H](C[C@H](C)O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000228082605 639614126 /nfs/dbraw/zinc/61/41/26/639614126.db2.gz VOYNEQAAHSPRAK-BDAKNGLRSA-N 0 3 272.732 2.497 20 5 CEBDHN CC(COC(=O)[C@H]1CCCC[C@@H]1C1CC1)[N+](=O)[O-] ZINC000842801515 640186910 /nfs/dbraw/zinc/18/69/10/640186910.db2.gz JNVNEJIKGHLBRO-JLLWLGSASA-N 0 3 255.314 2.411 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000180633052 641471550 /nfs/dbraw/zinc/47/15/50/641471550.db2.gz MUXGYRMTOZCEAP-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN COc1ccc(OC(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000851036220 642889726 /nfs/dbraw/zinc/88/97/26/642889726.db2.gz GMBUAJFGEIFWHA-JTQLQIEISA-N 0 3 297.307 2.061 20 5 CEBDHN COc1ccc([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000851037485 642890445 /nfs/dbraw/zinc/89/04/45/642890445.db2.gz ZFEHCACYBBEOEW-JIMOISOXSA-N 0 3 279.292 2.007 20 5 CEBDHN COC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000086699734 643380629 /nfs/dbraw/zinc/38/06/29/643380629.db2.gz BSSUOZIMQLYAMH-LBPRGKRZSA-N 0 3 270.304 2.495 20 5 CEBDHN Cc1ccc(NCCNCc2ccccc2[N+](=O)[O-])nc1 ZINC000922935356 643463817 /nfs/dbraw/zinc/46/38/17/643463817.db2.gz URZGTYKYUMTLQM-UHFFFAOYSA-N 0 3 286.335 2.500 20 5 CEBDHN COC(=O)C1CC(NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877722111 650870419 /nfs/dbraw/zinc/87/04/19/650870419.db2.gz JKKQWFXZJYMPJR-UHFFFAOYSA-N 0 3 298.726 2.289 20 5 CEBDHN CC(C)[C@@H]1CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073259 644983065 /nfs/dbraw/zinc/98/30/65/644983065.db2.gz VOXUXDHOQUACJO-UONOGXRCSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1ccc(CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000860777595 645902642 /nfs/dbraw/zinc/90/26/42/645902642.db2.gz QWACNQCCBQIRRP-RYUDHWBXSA-N 0 3 281.308 2.109 20 5 CEBDHN Cc1ncccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863578520 646761668 /nfs/dbraw/zinc/76/16/68/646761668.db2.gz MHZSMSOQNZXEGR-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN CCc1ccc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377897 648789406 /nfs/dbraw/zinc/78/94/06/648789406.db2.gz SMZCISXNYRULMV-QMMMGPOBSA-N 0 3 255.245 2.210 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000873130381 649565250 /nfs/dbraw/zinc/56/52/50/649565250.db2.gz CVFXWJJDGXXPQQ-JQWIXIFHSA-N 0 3 288.294 2.397 20 5 CEBDHN CC[S@@](=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130871073 652350345 /nfs/dbraw/zinc/35/03/45/652350345.db2.gz YFPOXZRECGYKJX-WYRIXSBYSA-N 0 3 284.381 2.322 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](CO)CC(F)F ZINC000883104118 652364717 /nfs/dbraw/zinc/36/47/17/652364717.db2.gz PQWIHPYVLFEKMR-JTQLQIEISA-N 0 3 288.294 2.317 20 5 CEBDHN CC[S@@](=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135461737 652969296 /nfs/dbraw/zinc/96/92/96/652969296.db2.gz ZOLMAAIECYBOQS-MGNBDDOMSA-N 0 3 270.354 2.014 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC2CC(F)(F)C2)cc1 ZINC000697457877 806390994 /nfs/dbraw/zinc/39/09/94/806390994.db2.gz ZHGWGJDLFSCFDK-NSHDSACASA-N 0 3 272.251 2.016 20 5 CEBDHN CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000160371875 806868514 /nfs/dbraw/zinc/86/85/14/806868514.db2.gz OTNRNVPGPKDLFR-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC2SCCS2)c1 ZINC000692904683 804450113 /nfs/dbraw/zinc/45/01/13/804450113.db2.gz NLPJRDVDLJALMB-UHFFFAOYSA-N 0 3 270.379 2.491 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CCC1 ZINC000700420768 809310310 /nfs/dbraw/zinc/31/03/10/809310310.db2.gz XZBZZAONOHWNDJ-UHFFFAOYSA-N 0 3 269.732 2.044 20 5 CEBDHN CN1CCCC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001120883818 815290392 /nfs/dbraw/zinc/29/03/92/815290392.db2.gz JPSYPCWJPNCRGE-LLVKDONJSA-N 0 3 290.367 2.459 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@@]13CCOC3)CC2 ZINC001119434925 810475904 /nfs/dbraw/zinc/47/59/04/810475904.db2.gz JERXHFZQXWWOKR-GDBMZVCRSA-N 0 3 288.347 2.380 20 5 CEBDHN Cc1ccc(C(=O)CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168982917 811309841 /nfs/dbraw/zinc/30/98/41/811309841.db2.gz JFHHWXGKXSEKCV-JSGCOSHPSA-N 0 3 276.336 2.213 20 5 CEBDHN C/C=C(/C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001156344551 811584845 /nfs/dbraw/zinc/58/48/45/811584845.db2.gz ZXXXOXQBHOGYPL-BASWHVEKSA-N 0 3 291.351 2.157 20 5 CEBDHN COc1ccc(C[C@@H](C)n2cncc2CN)c([N+](=O)[O-])c1 ZINC001170298438 812376818 /nfs/dbraw/zinc/37/68/18/812376818.db2.gz LWMHRNGOHLHISG-SNVBAGLBSA-N 0 3 290.323 2.062 20 5 CEBDHN C/C(=C/C(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000752499839 812463518 /nfs/dbraw/zinc/46/35/18/812463518.db2.gz LJSOCPBXCJQRKP-QXMHVHEDSA-N 0 3 291.351 2.018 20 5 CEBDHN C[C@H](NCCOC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000714982235 814920230 /nfs/dbraw/zinc/92/02/30/814920230.db2.gz JNSXDYXTNBOTHJ-JTQLQIEISA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cncnc1 ZINC001173237395 815648965 /nfs/dbraw/zinc/64/89/65/815648965.db2.gz IXVYEORECINKOC-LBPRGKRZSA-N 0 3 286.335 2.448 20 5 CEBDHN Cc1n[nH]cc1CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159127 282124875 /nfs/dbraw/zinc/12/48/75/282124875.db2.gz XSCNABHRLIUNPG-JTQLQIEISA-N 0 3 274.324 2.347 20 5 CEBDHN C[C@@H](CCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000096811584 185115286 /nfs/dbraw/zinc/11/52/86/185115286.db2.gz PUFUNUAAUTXTBD-QMMMGPOBSA-N 0 3 258.705 2.109 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCOC(F)F)cs1 ZINC000337795121 214265967 /nfs/dbraw/zinc/26/59/67/214265967.db2.gz CSTGPNOHGOYITQ-UHFFFAOYSA-N 0 3 266.269 2.375 20 5 CEBDHN COC1CCN(CCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000080250023 344004733 /nfs/dbraw/zinc/00/47/33/344004733.db2.gz DUAUZXVSIKAZPE-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN Cc1ccc(CN[C@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775760 361997099 /nfs/dbraw/zinc/99/70/99/361997099.db2.gz JZGMIKQKCUAADZ-ZDUSSCGKSA-N 0 3 266.341 2.400 20 5 CEBDHN CCOc1cc(CNC2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000492696885 290639570 /nfs/dbraw/zinc/63/95/70/290639570.db2.gz PHJPQNTZYKFOOD-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN CC[C@H](NCc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414528250 529633008 /nfs/dbraw/zinc/63/30/08/529633008.db2.gz NXZAVSPLFGBZSK-GXTWGEPZSA-N 0 3 266.341 2.480 20 5 CEBDHN CC1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000046701717 362184810 /nfs/dbraw/zinc/18/48/10/362184810.db2.gz ZWPUWNUKNBVVIY-CQSZACIVSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744512 343520969 /nfs/dbraw/zinc/52/09/69/343520969.db2.gz RKPNFMBZBQSHEI-UHFFFAOYSA-N 0 3 263.341 2.373 20 5 CEBDHN Cc1c(CN2CCN(CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000052165642 343557198 /nfs/dbraw/zinc/55/71/98/343557198.db2.gz JDGJPPQYTODFQB-UHFFFAOYSA-N 0 3 289.379 2.431 20 5 CEBDHN Cc1ccc(CN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000127978374 365771134 /nfs/dbraw/zinc/77/11/34/365771134.db2.gz BAEDKLSPCZIKII-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000059891833 343654499 /nfs/dbraw/zinc/65/44/99/343654499.db2.gz UIWQQANDCHAZMO-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CO[C@@H](CNCc1ccccc1[N+](=O)[O-])C(C)C ZINC000072924736 343814985 /nfs/dbraw/zinc/81/49/85/343814985.db2.gz HPZGXLAKWOAWRH-ZDUSSCGKSA-N 0 3 252.314 2.355 20 5 CEBDHN CNC(=O)[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075721492 343864358 /nfs/dbraw/zinc/86/43/58/343864358.db2.gz QGTYQJMHSDIPHD-NEPJUHHUSA-N 0 3 291.351 2.114 20 5 CEBDHN CC(C)CC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602460198 347041868 /nfs/dbraw/zinc/04/18/68/347041868.db2.gz VTKUXBDXOMZJGQ-LBPRGKRZSA-N 0 3 291.351 2.247 20 5 CEBDHN COc1cc(N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000118295383 344291037 /nfs/dbraw/zinc/29/10/37/344291037.db2.gz APRZERSEAUVWSW-UHFFFAOYSA-N 0 3 291.351 2.135 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1cccnc1[N+](=O)[O-] ZINC000159329775 344454520 /nfs/dbraw/zinc/45/45/20/344454520.db2.gz VXJPTKQLLXZZGH-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561107 347077373 /nfs/dbraw/zinc/07/73/73/347077373.db2.gz COTLNPMAUNZUOS-YPMHNXCESA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402270390 344872260 /nfs/dbraw/zinc/87/22/60/344872260.db2.gz DLQZGIACANENLU-CMPLNLGQSA-N 0 3 250.298 2.170 20 5 CEBDHN CC[C@@H](NCC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222901 344878377 /nfs/dbraw/zinc/87/83/77/344878377.db2.gz ZPVDROPUZDUVBQ-CABCVRRESA-N 0 3 294.351 2.177 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CCCO)C1 ZINC000449793783 282370572 /nfs/dbraw/zinc/37/05/72/282370572.db2.gz YCQLQZNIRSZMMK-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN CSC1(CNc2cccnc2[N+](=O)[O-])CCN(C)CC1 ZINC000589605297 345088746 /nfs/dbraw/zinc/08/87/46/345088746.db2.gz JGRLYEBHGKNQDK-UHFFFAOYSA-N 0 3 296.396 2.229 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1CNCCCCF)OCCO2 ZINC000589737443 345097096 /nfs/dbraw/zinc/09/70/96/345097096.db2.gz LXJRZBUDNQIYII-UHFFFAOYSA-N 0 3 284.287 2.205 20 5 CEBDHN CN1C[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590010517 345110292 /nfs/dbraw/zinc/11/02/92/345110292.db2.gz MPWTWWCMUTXPEB-RISCZKNCSA-N 0 3 295.770 2.384 20 5 CEBDHN C[C@@H]1CC[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591478414 345261683 /nfs/dbraw/zinc/26/16/83/345261683.db2.gz JDDFUBZHKBRVJD-OCCSQVGLSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591673126 345273144 /nfs/dbraw/zinc/27/31/44/345273144.db2.gz OOUWOWHMEGJGQW-GXFFZTMASA-N 0 3 291.351 2.078 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000592379999 345348176 /nfs/dbraw/zinc/34/81/76/345348176.db2.gz HJHHDPUTCOHGDR-SCZZXKLOSA-N 0 3 298.364 2.293 20 5 CEBDHN CC[C@@H](NCCc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592392888 345349413 /nfs/dbraw/zinc/34/94/13/345349413.db2.gz CJWZWWYBODDBBJ-CQSZACIVSA-N 0 3 289.339 2.007 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](C)CO ZINC000273938130 192370696 /nfs/dbraw/zinc/37/06/96/192370696.db2.gz DAUOQCKDJWSRAK-RYUDHWBXSA-N 0 3 296.367 2.489 20 5 CEBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C)C1 ZINC000592832212 345401891 /nfs/dbraw/zinc/40/18/91/345401891.db2.gz TVDNPIPOSVOVII-CQSZACIVSA-N 0 3 291.351 2.151 20 5 CEBDHN CN1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593458198 345490358 /nfs/dbraw/zinc/49/03/58/345490358.db2.gz JUGVCUIXAFMECS-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](CO)CCF ZINC000593685090 345520582 /nfs/dbraw/zinc/52/05/82/345520582.db2.gz FFYGJNQTJOSMIK-HJTPGIPUSA-N 0 3 282.315 2.308 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCN[C@H]1CCCn2ccnc21 ZINC000594496894 345638100 /nfs/dbraw/zinc/63/81/00/345638100.db2.gz ZCWYGMRPQRFJTQ-ZDUSSCGKSA-N 0 3 286.335 2.459 20 5 CEBDHN CN1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505491 345639770 /nfs/dbraw/zinc/63/97/70/345639770.db2.gz WTSLQSLLNMVYDH-BXUZGUMPSA-N 0 3 275.352 2.266 20 5 CEBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594592234 345653638 /nfs/dbraw/zinc/65/36/38/345653638.db2.gz RREGOZHJVVTHTG-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CCC(C)(C)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000594594720 345654722 /nfs/dbraw/zinc/65/47/22/345654722.db2.gz QFOUXDYTHKYKCZ-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CCN1CCN([C@H](C)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000059389296 362647896 /nfs/dbraw/zinc/64/78/96/362647896.db2.gz VFHBFEISBSRPFG-CYBMUJFWSA-N 0 3 292.383 2.033 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000594936851 345709503 /nfs/dbraw/zinc/70/95/03/345709503.db2.gz WXWCXTRZODJRRM-YRRQLQLVSA-N 0 3 292.335 2.443 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC/C=C\CO ZINC000594974226 345720301 /nfs/dbraw/zinc/72/03/01/345720301.db2.gz ITHQZDZLRCXCFX-FLULEWPTSA-N 0 3 262.309 2.136 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC(O)(C2CC2)C2CC2)cc1 ZINC000594983456 345721199 /nfs/dbraw/zinc/72/11/99/345721199.db2.gz MGMFYWRJZGPZKL-UHFFFAOYSA-N 0 3 276.336 2.236 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)C(C)C ZINC000595008775 345725346 /nfs/dbraw/zinc/72/53/46/345725346.db2.gz QQCPZDMYTQXRGP-GXFFZTMASA-N 0 3 282.340 2.271 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)C1CCC1 ZINC000595050727 345734797 /nfs/dbraw/zinc/73/47/97/345734797.db2.gz JSHQNHHMALWOJA-QMTHXVAHSA-N 0 3 294.351 2.415 20 5 CEBDHN CC(C)[C@H](CCO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595431285 345780681 /nfs/dbraw/zinc/78/06/81/345780681.db2.gz OMCFUCIZWODTGV-LBPRGKRZSA-N 0 3 270.304 2.231 20 5 CEBDHN COC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595433449 345781685 /nfs/dbraw/zinc/78/16/85/345781685.db2.gz WPGJJOQUVWMZDU-LBPRGKRZSA-N 0 3 270.304 2.495 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)C1CCC1 ZINC000595615920 345828146 /nfs/dbraw/zinc/82/81/46/345828146.db2.gz JYPAYYNXBIAWFZ-GFCCVEGCSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757456 345868320 /nfs/dbraw/zinc/86/83/20/345868320.db2.gz JLVXYLFQFWFNJD-GXTWGEPZSA-N 0 3 262.309 2.063 20 5 CEBDHN Cc1c(CN[C@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595776404 345873985 /nfs/dbraw/zinc/87/39/85/345873985.db2.gz AWXYJZRJIRFBIX-UONOGXRCSA-N 0 3 276.336 2.296 20 5 CEBDHN COc1cc(N(C)CCN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596152875 345953168 /nfs/dbraw/zinc/95/31/68/345953168.db2.gz PZMNVQBVSPBWOA-UHFFFAOYSA-N 0 3 287.747 2.255 20 5 CEBDHN CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000596205012 345968569 /nfs/dbraw/zinc/96/85/69/345968569.db2.gz DXOCFMIAPDNVTJ-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN Cc1nc(NC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305832 345995140 /nfs/dbraw/zinc/99/51/40/345995140.db2.gz BAEKBKAWXSIOGN-NSHDSACASA-N 0 3 278.356 2.005 20 5 CEBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000596269619 345986229 /nfs/dbraw/zinc/98/62/29/345986229.db2.gz VPQCCFJVENMZLQ-JTQLQIEISA-N 0 3 282.319 2.049 20 5 CEBDHN Cc1nc(N[C@H](C)CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000596489529 346037487 /nfs/dbraw/zinc/03/74/87/346037487.db2.gz WWZKIVIHTADYGG-GFCCVEGCSA-N 0 3 292.383 2.252 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000597212324 346150301 /nfs/dbraw/zinc/15/03/01/346150301.db2.gz UJMHUNQNNMWHLF-CUOOIUKUSA-N 0 3 288.347 2.455 20 5 CEBDHN C[C@@H](O)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000597235299 346157196 /nfs/dbraw/zinc/15/71/96/346157196.db2.gz XSAAGPLCAIHRHO-DUMNWFOQSA-N 0 3 262.309 2.111 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCN(C)C1 ZINC000597945997 346256150 /nfs/dbraw/zinc/25/61/50/346256150.db2.gz MBMRHDWSTLVVGT-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000599000798 346444656 /nfs/dbraw/zinc/44/46/56/346444656.db2.gz WDEGJLMUHIQCLD-KZWBYHQPSA-N 0 3 264.325 2.496 20 5 CEBDHN CO[C@H]1C[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000599016649 346446636 /nfs/dbraw/zinc/44/66/36/346446636.db2.gz MHEIQWARVGDAMI-KLPPZKSPSA-N 0 3 250.298 2.109 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCCCC2)nc1 ZINC000599125695 346463776 /nfs/dbraw/zinc/46/37/76/346463776.db2.gz AKDLRGDYJDPSHM-CYBMUJFWSA-N 0 3 290.367 2.231 20 5 CEBDHN CN(C)C/C=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000493352619 290794088 /nfs/dbraw/zinc/79/40/88/290794088.db2.gz NEJBKZPKCLZRQW-YFHOEESVSA-N 0 3 291.351 2.064 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)n1 ZINC000129370743 365851341 /nfs/dbraw/zinc/85/13/41/365851341.db2.gz RCCOJJGNZJPZJL-GHMZBOCLSA-N 0 3 276.340 2.335 20 5 CEBDHN CC[C@H](CNc1ncc(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000601103883 346753448 /nfs/dbraw/zinc/75/34/48/346753448.db2.gz KYPUNNOPUWYLHD-LLVKDONJSA-N 0 3 282.319 2.415 20 5 CEBDHN CC(C)C[C@H]1OCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602814420 347210829 /nfs/dbraw/zinc/21/08/29/347210829.db2.gz ARDHKQNBTPQUGJ-CHWSQXEVSA-N 0 3 296.371 2.012 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)C[C@H]1C ZINC000602849018 347223669 /nfs/dbraw/zinc/22/36/69/347223669.db2.gz ZNAMJGIWQYVIJV-GHMZBOCLSA-N 0 3 266.345 2.220 20 5 CEBDHN CC[C@@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982660 347265569 /nfs/dbraw/zinc/26/55/69/347265569.db2.gz WGDDDTVBXTYOSX-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203546 347308511 /nfs/dbraw/zinc/30/85/11/347308511.db2.gz PLUULUINIDGBQN-LLVKDONJSA-N 0 3 293.302 2.174 20 5 CEBDHN CC(C)[C@@H](N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220939 347313114 /nfs/dbraw/zinc/31/31/14/347313114.db2.gz XSCNVRISBZTMCQ-IINYFYTJSA-N 0 3 289.339 2.451 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C1 ZINC000609574300 347643979 /nfs/dbraw/zinc/64/39/79/347643979.db2.gz ZQFYCNWMWNJLJV-LLVKDONJSA-N 0 3 277.324 2.102 20 5 CEBDHN COC[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000610605293 347696337 /nfs/dbraw/zinc/69/63/37/347696337.db2.gz WIZJSHQURDEMRF-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611091745 347738980 /nfs/dbraw/zinc/73/89/80/347738980.db2.gz GMBBGESOPXYLRA-ZDUSSCGKSA-N 0 3 277.368 2.163 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000611616544 347799253 /nfs/dbraw/zinc/79/92/53/347799253.db2.gz ZEMKJFIWDZGZBX-CYBMUJFWSA-N 0 3 292.383 2.385 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCOC1 ZINC000611515338 347789635 /nfs/dbraw/zinc/78/96/35/347789635.db2.gz KHAYSHFKZQBEJD-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN COCCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000351877492 219234298 /nfs/dbraw/zinc/23/42/98/219234298.db2.gz QBTHRKPOLYKOQP-UHFFFAOYSA-N 0 3 252.314 2.453 20 5 CEBDHN CN(CCN(C)C1CC1)c1ccsc1[N+](=O)[O-] ZINC000613701048 348093235 /nfs/dbraw/zinc/09/32/35/348093235.db2.gz DNGXFNNXPINZRS-UHFFFAOYSA-N 0 3 255.343 2.187 20 5 CEBDHN CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000575435904 539660849 /nfs/dbraw/zinc/66/08/49/539660849.db2.gz CTULTENKWZFJBO-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN COc1cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339621989 215273722 /nfs/dbraw/zinc/27/37/22/215273722.db2.gz WPWMSXTWRPUGJV-TXEJJXNPSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339628054 215275891 /nfs/dbraw/zinc/27/58/91/215275891.db2.gz GEGPSRHKBLQDGP-STQMWFEESA-N 0 3 277.368 2.162 20 5 CEBDHN COCCN1CCCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000271257649 191032298 /nfs/dbraw/zinc/03/22/98/191032298.db2.gz AGSMEJVYAJRKLK-UHFFFAOYSA-N 0 3 293.367 2.062 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@H](C)C1 ZINC000412040229 233320719 /nfs/dbraw/zinc/32/07/19/233320719.db2.gz QJJVSPVYBMPBLT-QJPTWQEYSA-N 0 3 264.325 2.359 20 5 CEBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091985680 180298147 /nfs/dbraw/zinc/29/81/47/180298147.db2.gz JLYMAKVMDDXTMR-LLVKDONJSA-N 0 3 280.324 2.144 20 5 CEBDHN O=[N+]([O-])c1ccc(OC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000271367423 191099704 /nfs/dbraw/zinc/09/97/04/191099704.db2.gz ORSXJZWUNWGMMI-CYBMUJFWSA-N 0 3 292.335 2.227 20 5 CEBDHN Cc1cc(N[C@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092209876 180344847 /nfs/dbraw/zinc/34/48/47/180344847.db2.gz XDIGRNZRKQEPCB-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106879540 186146207 /nfs/dbraw/zinc/14/62/07/186146207.db2.gz ATSQAHQHZOYFEH-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN CN1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108433503 186216306 /nfs/dbraw/zinc/21/63/06/186216306.db2.gz KCHCXMJWIIKBMW-NSHDSACASA-N 0 3 292.339 2.058 20 5 CEBDHN CO[C@@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122860060 187055902 /nfs/dbraw/zinc/05/59/02/187055902.db2.gz XVAZGBIMWSAMSG-BXUZGUMPSA-N 0 3 280.324 2.051 20 5 CEBDHN CCOC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292150103 198181894 /nfs/dbraw/zinc/18/18/94/198181894.db2.gz NKYVFVJTKIYVNN-UHFFFAOYSA-N 0 3 280.324 2.373 20 5 CEBDHN CCCCCN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154255260 188131851 /nfs/dbraw/zinc/13/18/51/188131851.db2.gz LGGHLWJGCRYYNW-OAHLLOKOSA-N 0 3 296.367 2.113 20 5 CEBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000271839882 191360607 /nfs/dbraw/zinc/36/06/07/191360607.db2.gz QBHJXPORBAHBAD-UHFFFAOYSA-N 0 3 292.295 2.177 20 5 CEBDHN CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272129776 191531332 /nfs/dbraw/zinc/53/13/32/191531332.db2.gz RXGWGBLZKCWNQC-CMPLNLGQSA-N 0 3 279.340 2.112 20 5 CEBDHN CCN(CC)CCSc1ccc([N+](=O)[O-])cn1 ZINC000075321198 363458120 /nfs/dbraw/zinc/45/81/20/363458120.db2.gz APNMTPSOODTTCW-UHFFFAOYSA-N 0 3 255.343 2.424 20 5 CEBDHN CN1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000273722341 192278594 /nfs/dbraw/zinc/27/85/94/192278594.db2.gz GVQCSZAMNYXWHC-KGLIPLIRSA-N 0 3 299.334 2.242 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000134248030 366302523 /nfs/dbraw/zinc/30/25/23/366302523.db2.gz HIPOQPPVUHSXRU-NEPJUHHUSA-N 0 3 295.314 2.009 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](O)C1 ZINC000452101031 283187584 /nfs/dbraw/zinc/18/75/84/283187584.db2.gz RJYBNWXBKKBBFR-UHIISALHSA-N 0 3 264.325 2.359 20 5 CEBDHN COCCOC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000075950234 363500015 /nfs/dbraw/zinc/50/00/15/363500015.db2.gz HUKLUHXVSGTSMG-AWEZNQCLSA-N 0 3 294.351 2.080 20 5 CEBDHN Cc1nccn1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570344273 299254939 /nfs/dbraw/zinc/25/49/39/299254939.db2.gz QXLPDDKTNDCEKE-CQSZACIVSA-N 0 3 286.335 2.377 20 5 CEBDHN C[C@@H](NCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000135461281 366442106 /nfs/dbraw/zinc/44/21/06/366442106.db2.gz SMSSPGUNVIYROR-SNVBAGLBSA-N 0 3 250.298 2.160 20 5 CEBDHN Cc1cc(=O)n(CCN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000578380226 366486153 /nfs/dbraw/zinc/48/61/53/366486153.db2.gz WVIYOYXAHLUIPX-TXEJJXNPSA-N 0 3 293.367 2.043 20 5 CEBDHN Cn1cncc1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298032029 200320176 /nfs/dbraw/zinc/32/01/76/200320176.db2.gz GCFDRJNXDQJDBH-UHFFFAOYSA-N 0 3 288.351 2.396 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178632966 189132352 /nfs/dbraw/zinc/13/23/52/189132352.db2.gz YTEPWAOGTGYKHO-UHFFFAOYSA-N 0 3 294.355 2.399 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@@H](O)C1 ZINC000571633090 299319124 /nfs/dbraw/zinc/31/91/24/299319124.db2.gz VEEBTLSMVKZBQF-FOGDFJRCSA-N 0 3 250.298 2.077 20 5 CEBDHN CCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183228243 189350764 /nfs/dbraw/zinc/35/07/64/189350764.db2.gz TUDMYYLDVLWAGI-UHFFFAOYSA-N 0 3 266.341 2.498 20 5 CEBDHN COc1cc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000104245041 364688500 /nfs/dbraw/zinc/68/85/00/364688500.db2.gz IUILKXNHYGLJPV-UHFFFAOYSA-N 0 3 265.313 2.111 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000112309507 364789617 /nfs/dbraw/zinc/78/96/17/364789617.db2.gz XEIIGGYSTGBNQG-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN COC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000112989207 364866097 /nfs/dbraw/zinc/86/60/97/364866097.db2.gz YCBJDCLJIWKIBP-GFCCVEGCSA-N 0 3 264.325 2.453 20 5 CEBDHN CCOC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000113501003 364899521 /nfs/dbraw/zinc/89/95/21/364899521.db2.gz SNFAEEBZJNDDLW-HNNXBMFYSA-N 0 3 296.367 2.203 20 5 CEBDHN Cc1ccc(CN[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120249250 365395258 /nfs/dbraw/zinc/39/52/58/365395258.db2.gz NJVZMYGVOSMMIA-ZDUSSCGKSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@H](O)C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000159251834 366894634 /nfs/dbraw/zinc/89/46/34/366894634.db2.gz XLQXAHUYEYZLAC-AAEUAGOBSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1ccc([C@@H](C)NCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000162592899 367172962 /nfs/dbraw/zinc/17/29/62/367172962.db2.gz VDDTYIOOABCZKH-GFCCVEGCSA-N 0 3 294.351 2.095 20 5 CEBDHN Cc1nn(C)c(NCCN2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000341135963 367189918 /nfs/dbraw/zinc/18/99/18/367189918.db2.gz ZDBGPNNTOAUCRN-GHMZBOCLSA-N 0 3 295.387 2.312 20 5 CEBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170766129 367410621 /nfs/dbraw/zinc/41/06/21/367410621.db2.gz LWCQSUQZJVQMQW-LBPRGKRZSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000174419157 368021931 /nfs/dbraw/zinc/02/19/31/368021931.db2.gz XJZCAZSTQCWHAB-LLVKDONJSA-N 0 3 250.298 2.458 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccccc3)CCC2)c1 ZINC000174814065 368070507 /nfs/dbraw/zinc/07/05/07/368070507.db2.gz JDQVWSZFKRTEFK-UHFFFAOYSA-N 0 3 286.335 2.460 20 5 CEBDHN CCN(CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000176196496 368210151 /nfs/dbraw/zinc/21/01/51/368210151.db2.gz XTAUOEOGUXIJLP-UHFFFAOYSA-N 0 3 280.353 2.375 20 5 CEBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1cc[nH]n1)C1CC1 ZINC000177954691 368284207 /nfs/dbraw/zinc/28/42/07/368284207.db2.gz JPDJLONMPZVIRK-AWEZNQCLSA-N 0 3 286.335 2.429 20 5 CEBDHN CO[C@H](C)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182201620 368534128 /nfs/dbraw/zinc/53/41/28/368534128.db2.gz NCDPTZJOQWSQGN-GFCCVEGCSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182313615 368550849 /nfs/dbraw/zinc/55/08/49/368550849.db2.gz PJSHLQBYFRHNLP-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338679 368642801 /nfs/dbraw/zinc/64/28/01/368642801.db2.gz RTZLZVDSFJFWJQ-BEARMHNFSA-N 0 3 288.347 2.311 20 5 CEBDHN COC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000346692061 368774631 /nfs/dbraw/zinc/77/46/31/368774631.db2.gz XNQVOHIPMJHTLK-DGCLKSJQSA-N 0 3 292.335 2.287 20 5 CEBDHN CN(C)C1(CN(C)C(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000187997780 369273873 /nfs/dbraw/zinc/27/38/73/369273873.db2.gz OKWFNBDLJZTHMU-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN CO[C@@H](C)[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000189111026 369458968 /nfs/dbraw/zinc/45/89/68/369458968.db2.gz IPSPPBXWVCPALG-QWRGUYRKSA-N 0 3 252.314 2.416 20 5 CEBDHN COCCN1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000276175093 193233208 /nfs/dbraw/zinc/23/32/08/193233208.db2.gz DJIGMRWJEKBFFD-NSHDSACASA-N 0 3 299.758 2.381 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1cnccn1 ZINC000350035316 369488407 /nfs/dbraw/zinc/48/84/07/369488407.db2.gz IEMLVDMFFHQBIW-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189678087 369558746 /nfs/dbraw/zinc/55/87/46/369558746.db2.gz RBUGWFIBANDZEQ-HNNXBMFYSA-N 0 3 294.351 2.340 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000191178466 369688479 /nfs/dbraw/zinc/68/84/79/369688479.db2.gz HLCNMVXNSVKCBS-RISCZKNCSA-N 0 3 264.325 2.106 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)[C@H](C)C1 ZINC000192463826 369816508 /nfs/dbraw/zinc/81/65/08/369816508.db2.gz LUVCGCWYJSNYRU-NXEZZACHSA-N 0 3 284.385 2.218 20 5 CEBDHN Nc1ccc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)c1 ZINC000193380663 369935386 /nfs/dbraw/zinc/93/53/86/369935386.db2.gz XCRCHNKDYVDELM-UHFFFAOYSA-N 0 3 276.340 2.216 20 5 CEBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150131 370040584 /nfs/dbraw/zinc/04/05/84/370040584.db2.gz IPIIDBINYFEXQZ-HIFRSBDPSA-N 0 3 294.351 2.187 20 5 CEBDHN Cc1ccc(CN[C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353152734 370042384 /nfs/dbraw/zinc/04/23/84/370042384.db2.gz MUJLVSYYVPKOBP-AWEZNQCLSA-N 0 3 266.341 2.400 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000194559251 370052562 /nfs/dbraw/zinc/05/25/62/370052562.db2.gz AKSZNLMVMGGQIG-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@H](O)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228031358 370392575 /nfs/dbraw/zinc/39/25/75/370392575.db2.gz JCNHYSMDRYUHOQ-QWRGUYRKSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1ccc(CNCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000226245908 370331868 /nfs/dbraw/zinc/33/18/68/370331868.db2.gz AWBVACKSJPCIRZ-UHFFFAOYSA-N 0 3 295.408 2.042 20 5 CEBDHN Cc1ccc([C@@H](C)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000358340398 371022504 /nfs/dbraw/zinc/02/25/04/371022504.db2.gz LCVCLJIYMGXNHT-GFCCVEGCSA-N 0 3 263.341 2.260 20 5 CEBDHN COc1cccc(N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000358654267 371157734 /nfs/dbraw/zinc/15/77/34/371157734.db2.gz SRQNRYJFBOADHD-WDEREUQCSA-N 0 3 279.340 2.498 20 5 CEBDHN Cc1ccc(CN2CC[C@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248422988 371192963 /nfs/dbraw/zinc/19/29/63/371192963.db2.gz YWMJYCGISZZMRJ-AAEUAGOBSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(O)C1 ZINC000248370078 371181947 /nfs/dbraw/zinc/18/19/47/371181947.db2.gz XANBIPYFZAPLLP-GWCFXTLKSA-N 0 3 250.298 2.113 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([C@H](C)O)C1 ZINC000248649506 371230286 /nfs/dbraw/zinc/23/02/86/371230286.db2.gz ULEHKVWWCMCZOT-WCQYABFASA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000252137513 371433004 /nfs/dbraw/zinc/43/30/04/371433004.db2.gz LSBYOOXXPXCPGG-SMDDNHRTSA-N 0 3 264.325 2.360 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252702207 371471063 /nfs/dbraw/zinc/47/10/63/371471063.db2.gz GVGRYTWUNIZQAP-STQMWFEESA-N 0 3 291.351 2.178 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCNC[C@H]2c2cccnc2)cc1 ZINC000261608191 371674736 /nfs/dbraw/zinc/67/47/36/371674736.db2.gz BMYZUCGODVBJKV-INIZCTEOSA-N 0 3 298.346 2.136 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965314 372148762 /nfs/dbraw/zinc/14/87/62/372148762.db2.gz GQEKQJLLQCKITO-GZMMTYOYSA-N 0 3 274.267 2.180 20 5 CEBDHN CC(C)[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269056154 372327595 /nfs/dbraw/zinc/32/75/95/372327595.db2.gz RADMHVQLZKCMDI-CQSZACIVSA-N 0 3 293.367 2.017 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000344836273 217327506 /nfs/dbraw/zinc/32/75/06/217327506.db2.gz VNAGVNKQLRSZSL-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN COCCOCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344870118 217339647 /nfs/dbraw/zinc/33/96/47/217339647.db2.gz XGHIUXQSDSWKCC-JLHYYAGUSA-N 0 3 294.351 2.251 20 5 CEBDHN CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272068303 373291905 /nfs/dbraw/zinc/29/19/05/373291905.db2.gz DWAQICWQZAFHBA-RISCZKNCSA-N 0 3 293.367 2.358 20 5 CEBDHN C[C@@H]1CN(C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353589012 220176794 /nfs/dbraw/zinc/17/67/94/220176794.db2.gz FKHWSDCZVNRQLT-VUDGCMKMSA-N 0 3 275.352 2.244 20 5 CEBDHN COc1cccc(CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000344951937 217366342 /nfs/dbraw/zinc/36/63/42/217366342.db2.gz KIXNWRKODQFFBL-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCC=CO3)CC2)n1 ZINC000369583278 373460897 /nfs/dbraw/zinc/46/08/97/373460897.db2.gz AQZXNMXPGDSJEL-CYBMUJFWSA-N 0 3 292.339 2.121 20 5 CEBDHN CC(C)N1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274420697 373915588 /nfs/dbraw/zinc/91/55/88/373915588.db2.gz DHONEOXDGBVQGB-CYBMUJFWSA-N 0 3 291.351 2.197 20 5 CEBDHN CC(C)(O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274794643 374053207 /nfs/dbraw/zinc/05/32/07/374053207.db2.gz ZLJNNHCPGBDKLU-UHFFFAOYSA-N 0 3 272.732 2.499 20 5 CEBDHN CCO[C@@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000274928020 374098614 /nfs/dbraw/zinc/09/86/14/374098614.db2.gz NNPWIYUGRODOKA-CFVMTHIKSA-N 0 3 294.351 2.185 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@](O)(C2CC2)C1 ZINC000373329323 374330188 /nfs/dbraw/zinc/33/01/88/374330188.db2.gz WICBQKVWWYVIGD-OAHLLOKOSA-N 0 3 276.336 2.250 20 5 CEBDHN CCOc1cc(CN(CC)CCCO)ccc1[N+](=O)[O-] ZINC000276903951 374341967 /nfs/dbraw/zinc/34/19/67/374341967.db2.gz MAXXOXBTBCHTES-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H](CO)C1 ZINC000374048595 374474808 /nfs/dbraw/zinc/47/48/08/374474808.db2.gz FXJPGYNEHLYHHW-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN Cc1nc(N(CCN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000277700301 374616048 /nfs/dbraw/zinc/61/60/48/374616048.db2.gz DACAAAHKWJTVKT-UHFFFAOYSA-N 0 3 266.345 2.075 20 5 CEBDHN CN(C)CC1(NCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000282124217 375409435 /nfs/dbraw/zinc/40/94/35/375409435.db2.gz FVQGIVCXUUOALG-UHFFFAOYSA-N 0 3 281.331 2.308 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282214334 375430773 /nfs/dbraw/zinc/43/07/73/375430773.db2.gz DMSMXZWMVHYAEW-CHWSQXEVSA-N 0 3 294.351 2.473 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283208727 375674024 /nfs/dbraw/zinc/67/40/24/375674024.db2.gz RUSCIZOXDKSWMS-LBPRGKRZSA-N 0 3 268.288 2.249 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283435408 375708282 /nfs/dbraw/zinc/70/82/82/375708282.db2.gz CPNLQKVRMLNDPM-LLVKDONJSA-N 0 3 278.356 2.321 20 5 CEBDHN C[C@@H](NCCC1(O)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284080615 375805916 /nfs/dbraw/zinc/80/59/16/375805916.db2.gz NMWUYTURGCAMIW-SNVBAGLBSA-N 0 3 279.340 2.133 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000414581699 375867035 /nfs/dbraw/zinc/86/70/35/375867035.db2.gz RCKPLBPKTUUMKS-OCCSQVGLSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000263732712 190075451 /nfs/dbraw/zinc/07/54/51/190075451.db2.gz QGDVSAUTYWXTEE-LLVKDONJSA-N 0 3 250.298 2.315 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000556959036 376526497 /nfs/dbraw/zinc/52/64/97/376526497.db2.gz NMIQFQJVMNWSPL-CQSZACIVSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@H](NC[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602384 376677959 /nfs/dbraw/zinc/67/79/59/376677959.db2.gz CVWUROPSTUSCJR-HZMBPMFUSA-N 0 3 264.325 2.406 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CN1CCCCC1 ZINC000313802917 376753535 /nfs/dbraw/zinc/75/35/35/376753535.db2.gz GLXUFERDEZCWMC-NSHDSACASA-N 0 3 295.387 2.406 20 5 CEBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CN1C1CC1 ZINC000290495211 376803219 /nfs/dbraw/zinc/80/32/19/376803219.db2.gz AHUGEGMWSCJKPG-IUCAKERBSA-N 0 3 294.330 2.353 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290831886 376945753 /nfs/dbraw/zinc/94/57/53/376945753.db2.gz URXBELLAUQPDTA-MWLCHTKSSA-N 0 3 276.340 2.214 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332260869 377553251 /nfs/dbraw/zinc/55/32/51/377553251.db2.gz VLBRKGAIVXDHJO-RRFJBIMHSA-N 0 3 290.363 2.496 20 5 CEBDHN COc1ccc(CN[C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313060102 249377280 /nfs/dbraw/zinc/37/72/80/249377280.db2.gz GLHSRNGSUIKGFG-ZDUSSCGKSA-N 0 3 280.324 2.118 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCCN(C)C1 ZINC000266024358 190223929 /nfs/dbraw/zinc/22/39/29/190223929.db2.gz RMJNOOJJSNYUMB-GFCCVEGCSA-N 0 3 278.356 2.076 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCCO ZINC000442964603 378023490 /nfs/dbraw/zinc/02/34/90/378023490.db2.gz IQZRIWPMKWEBLU-FMIVXFBMSA-N 0 3 264.325 2.312 20 5 CEBDHN O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])s1 ZINC000298498858 378746847 /nfs/dbraw/zinc/74/68/47/378746847.db2.gz MWTGLIIVQSKJQP-NXEZZACHSA-N 0 3 295.364 2.013 20 5 CEBDHN C[C@@H]1CCCN(CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298765023 378824342 /nfs/dbraw/zinc/82/43/42/378824342.db2.gz SAXGAWUYWAKZTF-SNVBAGLBSA-N 0 3 297.380 2.118 20 5 CEBDHN COC[C@](C)(O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257391 378844918 /nfs/dbraw/zinc/84/49/18/378844918.db2.gz NCGUGEZIKXUHSA-SMDDNHRTSA-N 0 3 282.340 2.033 20 5 CEBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489415887 380186535 /nfs/dbraw/zinc/18/65/35/380186535.db2.gz RTWFWDPBRSOPOP-BXUZGUMPSA-N 0 3 294.351 2.065 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)OCCO ZINC000548767833 380560808 /nfs/dbraw/zinc/56/08/08/380560808.db2.gz XDIRLUYERMQRKX-GFCCVEGCSA-N 0 3 296.367 2.341 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H](CCO)c2ccco2)cc1 ZINC000185079904 285111351 /nfs/dbraw/zinc/11/13/51/285111351.db2.gz HUMHGXVLJAJHQR-CQSZACIVSA-N 0 3 290.319 2.444 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000250143415 285160752 /nfs/dbraw/zinc/16/07/52/285160752.db2.gz ZLAQUTRUIYNTNG-SCRDCRAPSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCCC3)C2)c(F)c1 ZINC000408472750 285177077 /nfs/dbraw/zinc/17/70/77/285177077.db2.gz WUCLPSDKFSIUAQ-NSHDSACASA-N 0 3 294.330 2.194 20 5 CEBDHN CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000354079011 220534453 /nfs/dbraw/zinc/53/44/53/220534453.db2.gz BHSUYPROVSZDTM-LBPRGKRZSA-N 0 3 279.315 2.407 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)C1CC1 ZINC000288176889 197019512 /nfs/dbraw/zinc/01/95/12/197019512.db2.gz ATAREIZCYMUTKN-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CCCO1 ZINC000237948400 131067968 /nfs/dbraw/zinc/06/79/68/131067968.db2.gz RHZUFVKRCZNSSM-VUUYWXRKSA-N 0 3 262.309 2.377 20 5 CEBDHN C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413142966 394491794 /nfs/dbraw/zinc/49/17/94/394491794.db2.gz WAQBOJMZVGMJJN-NSHDSACASA-N 0 3 286.335 2.283 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@H](CO)C1 ZINC000421361614 394510253 /nfs/dbraw/zinc/51/02/53/394510253.db2.gz LDYQXHFKHRFPTE-YPMHNXCESA-N 0 3 278.352 2.354 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@H](O)CC)cc1[N+](=O)[O-] ZINC000421876044 394624671 /nfs/dbraw/zinc/62/46/71/394624671.db2.gz KLGXHUDCVXTLIB-CMPLNLGQSA-N 0 3 282.340 2.415 20 5 CEBDHN C[C@@H]1[C@@H](C)N(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356999379 394677038 /nfs/dbraw/zinc/67/70/38/394677038.db2.gz KLLGECZYJXPSAJ-CHWSQXEVSA-N 0 3 277.368 2.162 20 5 CEBDHN Cc1cnc(N(C)[C@@H]2CCN(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268109724 394689668 /nfs/dbraw/zinc/68/96/68/394689668.db2.gz CBVQRBSWIKXJBO-VXGBXAGGSA-N 0 3 278.356 2.075 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000357041634 394690134 /nfs/dbraw/zinc/69/01/34/394690134.db2.gz PEUFHTWYQWPOGE-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1cc(N2CCC[C@@H]3CN(C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000269079293 394711783 /nfs/dbraw/zinc/71/17/83/394711783.db2.gz DLGMQKTUCRVOQO-CHWSQXEVSA-N 0 3 290.367 2.219 20 5 CEBDHN COCC[C@@H](COC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000336829832 394880232 /nfs/dbraw/zinc/88/02/32/394880232.db2.gz DPADDUZZGLEAJH-ZDUSSCGKSA-N 0 3 282.340 2.044 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286090111 395011106 /nfs/dbraw/zinc/01/11/06/395011106.db2.gz KGBBNYIKTKUOMF-LLVKDONJSA-N 0 3 278.356 2.463 20 5 CEBDHN C[C@@H]1[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCCN1C ZINC000436360619 395111765 /nfs/dbraw/zinc/11/17/65/395111765.db2.gz NGWIGNOAKWAYSS-ZYHUDNBSSA-N 0 3 290.367 2.457 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCSCC2)cc1 ZINC000438997929 395243364 /nfs/dbraw/zinc/24/33/64/395243364.db2.gz SDKZAMCDCGIGAF-UHFFFAOYSA-N 0 3 296.392 2.285 20 5 CEBDHN Cc1cn(CCN(C)Cc2ccccc2)nc1[N+](=O)[O-] ZINC000418976812 395245184 /nfs/dbraw/zinc/24/51/84/395245184.db2.gz VRJAECAAFVGNQD-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCNC[C@@](C)(F)C1 ZINC000420336878 395334967 /nfs/dbraw/zinc/33/49/67/395334967.db2.gz QIKBPVVWHMKLAE-SMDDNHRTSA-N 0 3 281.331 2.289 20 5 CEBDHN CC(C)[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000444772522 395453529 /nfs/dbraw/zinc/45/35/29/395453529.db2.gz NUUXBHBLRUXABJ-CYBMUJFWSA-N 0 3 293.367 2.125 20 5 CEBDHN O=[N+]([O-])c1cn(CCN2CCCCC2)nc1C1CC1 ZINC000195046367 395457461 /nfs/dbraw/zinc/45/74/61/395457461.db2.gz PFCWKYMGWNWUOY-UHFFFAOYSA-N 0 3 264.329 2.155 20 5 CEBDHN Cc1cccc(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420642269 395400245 /nfs/dbraw/zinc/40/02/45/395400245.db2.gz VQKQPVUIEHYAGL-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000443856128 395401655 /nfs/dbraw/zinc/40/16/55/395401655.db2.gz RHJBLMBSIXVSFH-XQRVVYSFSA-N 0 3 276.336 2.311 20 5 CEBDHN Cc1cc(NCCN2CCCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000443970980 395408502 /nfs/dbraw/zinc/40/85/02/395408502.db2.gz JLIRFINARJKIFF-UHFFFAOYSA-N 0 3 292.383 2.254 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])s1 ZINC000192481426 153206570 /nfs/dbraw/zinc/20/65/70/153206570.db2.gz PELVRRRKWSMEAW-ZJUUUORDSA-N 0 3 282.369 2.114 20 5 CEBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000367479341 156194311 /nfs/dbraw/zinc/19/43/11/156194311.db2.gz UYTNFZLTHBATLG-GFCCVEGCSA-N 0 3 278.356 2.303 20 5 CEBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000020208236 171072219 /nfs/dbraw/zinc/07/22/19/171072219.db2.gz OUDYDBYAOYHTHH-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCCO1 ZINC000035247563 172078681 /nfs/dbraw/zinc/07/86/81/172078681.db2.gz NMWPTKWMYLGNSW-GXFFZTMASA-N 0 3 280.324 2.261 20 5 CEBDHN CCOC(=O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285399781 196272081 /nfs/dbraw/zinc/27/20/81/196272081.db2.gz TXILXLUGQMXRHO-UHFFFAOYSA-N 0 3 294.351 2.412 20 5 CEBDHN CO[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000285423511 196280405 /nfs/dbraw/zinc/28/04/05/196280405.db2.gz QMEFHQKJMXDBOW-BETUJISGSA-N 0 3 250.298 2.204 20 5 CEBDHN CC1(C)C[C@H](N[C@@H]2CC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000424318136 271044165 /nfs/dbraw/zinc/04/41/65/271044165.db2.gz CNYNNQKREPBTLA-HZSPNIEDSA-N 0 3 276.336 2.430 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966353 274380101 /nfs/dbraw/zinc/38/01/01/274380101.db2.gz FDIYVDFUQPGBEE-BXKDBHETSA-N 0 3 295.295 2.018 20 5 CEBDHN CCN(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054110174 276305802 /nfs/dbraw/zinc/30/58/02/276305802.db2.gz WAHUICYATFGULX-NSHDSACASA-N 0 3 251.330 2.197 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049096451 277081129 /nfs/dbraw/zinc/08/11/29/277081129.db2.gz ZQWHVPRXIQKNGH-JTQLQIEISA-N 0 3 297.742 2.072 20 5 CEBDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465723 277158023 /nfs/dbraw/zinc/15/80/23/277158023.db2.gz HPEKJRQACPKYBS-ZWNOBZJWSA-N 0 3 294.330 2.049 20 5 CEBDHN C[C@H]1CCN(C)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000354091644 278366604 /nfs/dbraw/zinc/36/66/04/278366604.db2.gz LYKPBRLWQCUALQ-JTQLQIEISA-N 0 3 267.304 2.264 20 5 CEBDHN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000077420995 279681141 /nfs/dbraw/zinc/68/11/41/279681141.db2.gz PVUWDFWOMUMULR-RKDXNWHRSA-N 0 3 272.732 2.355 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286208630 281022831 /nfs/dbraw/zinc/02/28/31/281022831.db2.gz OHRDJSRTDKHBMB-UHIISALHSA-N 0 3 291.351 2.017 20 5 CEBDHN NC(=O)c1ccc(CN2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426454916 281194457 /nfs/dbraw/zinc/19/44/57/281194457.db2.gz AXRIKRWFKUIDMA-GXFFZTMASA-N 0 3 289.335 2.068 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000362732877 281258511 /nfs/dbraw/zinc/25/85/11/281258511.db2.gz IDNHIMUKGSOSMH-RYUDHWBXSA-N 0 3 291.351 2.116 20 5 CEBDHN COCC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446844216 281786816 /nfs/dbraw/zinc/78/68/16/281786816.db2.gz FWXWWRXARISTQG-UHFFFAOYSA-N 0 3 292.339 2.233 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(CCN1CCCCC1)C2 ZINC000153029855 289104250 /nfs/dbraw/zinc/10/42/50/289104250.db2.gz ACBUKICGSOEYQR-UHFFFAOYSA-N 0 3 289.379 2.439 20 5 CEBDHN CN1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156421625 289195140 /nfs/dbraw/zinc/19/51/40/289195140.db2.gz PQGCNCSMXNIRKI-SNVBAGLBSA-N 0 3 267.304 2.488 20 5 CEBDHN CSC[C@H](CCO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643478 297647856 /nfs/dbraw/zinc/64/78/56/297647856.db2.gz FYDQUSOHHHPVAR-GWCFXTLKSA-N 0 3 296.392 2.286 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)Cc2ccco2)cs1 ZINC000538420008 298228185 /nfs/dbraw/zinc/22/81/85/298228185.db2.gz FIDBUSIGIFFYAG-JTQLQIEISA-N 0 3 296.348 2.190 20 5 CEBDHN COCC1(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538549539 298230471 /nfs/dbraw/zinc/23/04/71/298230471.db2.gz GEBYELZGLJWNAL-JTQLQIEISA-N 0 3 250.298 2.424 20 5 CEBDHN CC(=O)N1CC[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159160 298263348 /nfs/dbraw/zinc/26/33/48/298263348.db2.gz XTBVZENXUUPBCC-YPMHNXCESA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C[S@](C)=O ZINC000543417824 298307940 /nfs/dbraw/zinc/30/79/40/298307940.db2.gz DFKQADIMVDRSEQ-FDMGOTLNSA-N 0 3 284.381 2.321 20 5 CEBDHN C[C@@H]1C[C@@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000548097772 298393924 /nfs/dbraw/zinc/39/39/24/298393924.db2.gz VGKCYBZHYBPRNL-GHMZBOCLSA-N 0 3 250.298 2.456 20 5 CEBDHN C[C@@]1(O)C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563419147 298775695 /nfs/dbraw/zinc/77/56/95/298775695.db2.gz STRQEHZWGYAEFE-DUFXMDAXSA-N 0 3 262.309 2.085 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000566305292 298965435 /nfs/dbraw/zinc/96/54/35/298965435.db2.gz WMCOEHJJLGVNLO-SMDDNHRTSA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCCO1 ZINC000563638698 313746599 /nfs/dbraw/zinc/74/65/99/313746599.db2.gz SCDXNFCYGKKELG-GWCFXTLKSA-N 0 3 262.309 2.351 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(O)CCCC1 ZINC000571296786 314083899 /nfs/dbraw/zinc/08/38/99/314083899.db2.gz AZEUJMQITKNYTE-ZDUSSCGKSA-N 0 3 276.336 2.477 20 5 CEBDHN CCC[C@@H](NC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573530 321842357 /nfs/dbraw/zinc/84/23/57/321842357.db2.gz SZWLDYVCJYJXPP-CABCVRRESA-N 0 3 296.367 2.423 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000049558083 519776349 /nfs/dbraw/zinc/77/63/49/519776349.db2.gz PBKSENRKMBEEMX-NSHDSACASA-N 0 3 266.345 2.378 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C(C)(C)C ZINC000289575921 522957449 /nfs/dbraw/zinc/95/74/49/522957449.db2.gz YTZMJGWJEJJCDE-AWEZNQCLSA-N 0 3 280.368 2.476 20 5 CEBDHN CO[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676408 523598372 /nfs/dbraw/zinc/59/83/72/523598372.db2.gz PFDZMZSUFBRARI-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN CSC[C@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160354846 525698396 /nfs/dbraw/zinc/69/83/96/525698396.db2.gz BTHIGCUNEXGWRO-JQWIXIFHSA-N 0 3 284.381 2.359 20 5 CEBDHN C[C@@H](NCCCN1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000746046587 575147335 /nfs/dbraw/zinc/14/73/35/575147335.db2.gz AOHXVCFAODALBF-LLVKDONJSA-N 0 3 293.323 2.088 20 5 CEBDHN CC[C@H]1CCCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952582 575241275 /nfs/dbraw/zinc/24/12/75/575241275.db2.gz VULHOVQRLIMZCY-NSHDSACASA-N 0 3 289.339 2.480 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CCCOC(C)C)c1[N+](=O)[O-] ZINC000892439364 625441628 /nfs/dbraw/zinc/44/16/28/625441628.db2.gz FXIAEWNSCZBSRK-UHFFFAOYSA-N 0 3 298.339 2.214 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)[N+](=O)[O-] ZINC000813103831 623021125 /nfs/dbraw/zinc/02/11/25/623021125.db2.gz GQVFUXCMBDVYAT-ZOFUNIGCSA-N 0 3 285.246 2.277 20 5 CEBDHN COc1cccc([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104497 623022180 /nfs/dbraw/zinc/02/21/80/623022180.db2.gz DHJWKEOJIJTFMC-NXEZZACHSA-N 0 3 267.281 2.007 20 5 CEBDHN CC(COC(=O)[C@H](C)c1ccccc1F)[N+](=O)[O-] ZINC000813108440 623041068 /nfs/dbraw/zinc/04/10/68/623041068.db2.gz YLYHFBOCRMTCOE-RKDXNWHRSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(COC(=O)c1cccc2ncccc21)[N+](=O)[O-] ZINC000813109583 623041318 /nfs/dbraw/zinc/04/13/18/623041318.db2.gz MPVRLFPOVOCLQI-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN CC(COC(=O)c1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813113907 623067808 /nfs/dbraw/zinc/06/78/08/623067808.db2.gz VZHJUEQJVMLUAB-SECBINFHSA-N 0 3 262.265 2.000 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@H]1C ZINC000744351625 627303342 /nfs/dbraw/zinc/30/33/42/627303342.db2.gz VWMMGWZTLZDQTE-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CCn1cnc(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000902276364 634565821 /nfs/dbraw/zinc/56/58/21/634565821.db2.gz APPRRMFUWWVYQF-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN Cc1ncoc1CNCCc1ccccc1[N+](=O)[O-] ZINC000894297975 629317339 /nfs/dbraw/zinc/31/73/39/629317339.db2.gz HMWFKLUDLMAOTH-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN CC(C)c1ccc(CNC[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC000894870840 629707973 /nfs/dbraw/zinc/70/79/73/629707973.db2.gz NVJPTBUGFUEPIF-GFCCVEGCSA-N 0 3 280.324 2.181 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CS[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894904660 629745653 /nfs/dbraw/zinc/74/56/53/629745653.db2.gz UZBQTLOKBATIRI-WCBMZHEXSA-N 0 3 298.364 2.293 20 5 CEBDHN Cc1nc(N2CCN(C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000895100628 629897129 /nfs/dbraw/zinc/89/71/29/629897129.db2.gz CUNYGLHYYZJHHB-CYBMUJFWSA-N 0 3 292.383 2.465 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898388611 632477857 /nfs/dbraw/zinc/47/78/57/632477857.db2.gz UWLKDXVQUPWQTI-QWHCGFSZSA-N 0 3 262.309 2.109 20 5 CEBDHN CC(COC(=O)c1cn(C)c2ccc(F)cc12)[N+](=O)[O-] ZINC000813103242 632622111 /nfs/dbraw/zinc/62/21/11/632622111.db2.gz ZGXNQSUOWQHWSG-MRVPVSSYSA-N 0 3 280.255 2.139 20 5 CEBDHN CC(COC(=O)CCCc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813102346 632622164 /nfs/dbraw/zinc/62/21/64/632622164.db2.gz DWQRJDSCKHLRIB-SECBINFHSA-N 0 3 287.262 2.496 20 5 CEBDHN COc1nc(C(=O)OCC(C)[N+](=O)[O-])cc2ccccc21 ZINC000813106656 632624216 /nfs/dbraw/zinc/62/42/16/632624216.db2.gz GCUYPUQERRQOEX-SECBINFHSA-N 0 3 290.275 2.065 20 5 CEBDHN CC(COC(=O)CCc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813109154 632625192 /nfs/dbraw/zinc/62/51/92/632625192.db2.gz GIGSFIGQQFEKQT-VIFPVBQESA-N 0 3 271.700 2.481 20 5 CEBDHN CC(COC(=O)C[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813108067 632625695 /nfs/dbraw/zinc/62/56/95/632625695.db2.gz UURINUCKVKWXSU-GHMZBOCLSA-N 0 3 251.282 2.389 20 5 CEBDHN CC(COC(=O)c1ccc(Br)s1)[N+](=O)[O-] ZINC000813111460 632625977 /nfs/dbraw/zinc/62/59/77/632625977.db2.gz HQSLBXMAYDUCTM-RXMQYKEDSA-N 0 3 294.126 2.333 20 5 CEBDHN Cc1cccc(OCCC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813110019 632626303 /nfs/dbraw/zinc/62/63/03/632626303.db2.gz QYLBBQUHFFAJHD-LLVKDONJSA-N 0 3 281.308 2.281 20 5 CEBDHN Cc1[nH]c2ccccc2c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110808 632626751 /nfs/dbraw/zinc/62/67/51/632626751.db2.gz JVJNPMHDMWPCIT-QMMMGPOBSA-N 0 3 262.265 2.298 20 5 CEBDHN COc1ccc(/C=C(/C)C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813114699 632628018 /nfs/dbraw/zinc/62/80/18/632628018.db2.gz VJFJYFVUXHZCPN-MBACFSSFSA-N 0 3 297.282 2.446 20 5 CEBDHN CC(COC(=O)CSc1ccc(F)cc1)[N+](=O)[O-] ZINC000813115745 632629382 /nfs/dbraw/zinc/62/93/82/632629382.db2.gz ZBKJFKLFZSWFOX-MRVPVSSYSA-N 0 3 273.285 2.126 20 5 CEBDHN O=[N+]([O-])CCNCCc1cc2ccccc2s1 ZINC000905267365 636184992 /nfs/dbraw/zinc/18/49/92/636184992.db2.gz KJVPTEACXFHGBF-UHFFFAOYSA-N 0 3 250.323 2.310 20 5 CEBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000905664950 636373529 /nfs/dbraw/zinc/37/35/29/636373529.db2.gz PQVJIUYKQMOZNQ-CZMCAQCFSA-N 0 3 256.252 2.077 20 5 CEBDHN CS[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889281 637191086 /nfs/dbraw/zinc/19/10/86/637191086.db2.gz NCNTUTMXKMBEBD-STQMWFEESA-N 0 3 282.365 2.066 20 5 CEBDHN CC(COC(=O)COC[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000845576441 641002377 /nfs/dbraw/zinc/00/23/77/641002377.db2.gz LGMAOWHXDBXTPN-VXGBXAGGSA-N 0 3 281.308 2.015 20 5 CEBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000069715823 641586858 /nfs/dbraw/zinc/58/68/58/641586858.db2.gz IJZCANFXKSZKAC-UHFFFAOYSA-N 0 3 291.351 2.087 20 5 CEBDHN CC(COC(=O)C[C@]12CCCC[C@H]1C2(F)F)[N+](=O)[O-] ZINC000851037634 642890510 /nfs/dbraw/zinc/89/05/10/642890510.db2.gz YLXVBQVTTFFJAE-FXPVBKGRSA-N 0 3 277.267 2.410 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC1CSC1 ZINC000877635236 650827048 /nfs/dbraw/zinc/82/70/48/650827048.db2.gz JVZCRKWUFFMKAR-HYXAFXHYSA-N 0 3 250.323 2.313 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000853748497 643887273 /nfs/dbraw/zinc/88/72/73/643887273.db2.gz ODVNYKBFAHKBGN-LLVKDONJSA-N 0 3 278.356 2.462 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(C2CC2)C2CC2)c1 ZINC000859627189 645544650 /nfs/dbraw/zinc/54/46/50/645544650.db2.gz JQBFIVXUBLWVCV-AWEZNQCLSA-N 0 3 262.309 2.255 20 5 CEBDHN Cc1ccccc1CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777730 645902653 /nfs/dbraw/zinc/90/26/53/645902653.db2.gz ULQPZGOXZFVIGI-NWDGAFQWSA-N 0 3 281.308 2.109 20 5 CEBDHN CCOC(=O)C1=CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000862486908 646476336 /nfs/dbraw/zinc/47/63/36/646476336.db2.gz JNDMJTBXXAREJU-CYBMUJFWSA-N 0 3 290.319 2.336 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@H](C(F)F)C2)cc1 ZINC000776600657 647077977 /nfs/dbraw/zinc/07/79/77/647077977.db2.gz CSQPGXNHKMBWNZ-JQWIXIFHSA-N 0 3 286.278 2.215 20 5 CEBDHN CC(COC(=O)c1nc(C(C)(C)C)cs1)[N+](=O)[O-] ZINC000870376456 648789143 /nfs/dbraw/zinc/78/91/43/648789143.db2.gz JVZVQYZFGDYWRD-ZETCQYMHSA-N 0 3 272.326 2.263 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@H](O)C1 ZINC000872089215 649269770 /nfs/dbraw/zinc/26/97/70/649269770.db2.gz VFHCADLSHVXROP-FXPVBKGRSA-N 0 3 282.365 2.491 20 5 CEBDHN Cc1ccc(CNC[C@@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000872232027 649323222 /nfs/dbraw/zinc/32/32/22/649323222.db2.gz XLURNSLXTWXPCN-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781542 649488053 /nfs/dbraw/zinc/48/80/53/649488053.db2.gz VDQZGLOSDFGAGZ-VHSXEESVSA-N 0 3 267.354 2.329 20 5 CEBDHN COCCN(C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124774084 649737814 /nfs/dbraw/zinc/73/78/14/649737814.db2.gz RPCAJIFVENKKHQ-UHFFFAOYSA-N 0 3 287.747 2.238 20 5 CEBDHN CC1(C)C[C@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879618558 651330792 /nfs/dbraw/zinc/33/07/92/651330792.db2.gz XNYJIPYZLNSSNT-ZDUSSCGKSA-N 0 3 294.351 2.066 20 5 CEBDHN CO[C@H]1COCC[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429187 651439286 /nfs/dbraw/zinc/43/92/86/651439286.db2.gz UYVLEZYCBCIDRN-CABCVRRESA-N 0 3 294.351 2.139 20 5 CEBDHN CC1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881808679 651889653 /nfs/dbraw/zinc/88/96/53/651889653.db2.gz YNYHQJRCPBPRQA-UHFFFAOYSA-N 0 3 282.319 2.273 20 5 CEBDHN CCN1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762888 805725443 /nfs/dbraw/zinc/72/54/43/805725443.db2.gz DVHFKHXVVXXMJQ-CYBMUJFWSA-N 0 3 250.298 2.458 20 5 CEBDHN CCN1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000712593932 814754392 /nfs/dbraw/zinc/75/43/92/814754392.db2.gz GGSIFSBULKBZTK-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN Cc1cccc(O[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC001225634069 805051837 /nfs/dbraw/zinc/05/18/37/805051837.db2.gz ZIAFUFKIBBLEPE-NSHDSACASA-N 0 3 250.298 2.376 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@H](O)C(F)F ZINC000716730198 815144154 /nfs/dbraw/zinc/14/41/54/815144154.db2.gz JWRSUNAICDBPPX-JTQLQIEISA-N 0 3 294.685 2.354 20 5 CEBDHN CN(Cc1cncs1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046692 811354847 /nfs/dbraw/zinc/35/48/47/811354847.db2.gz LVJGUUUJYXZELU-UWVGGRQHSA-N 0 3 255.343 2.020 20 5 CEBDHN CC(COC(=O)c1oc(C2CC2)nc1C(F)F)[N+](=O)[O-] ZINC001122949706 815457351 /nfs/dbraw/zinc/45/73/51/815457351.db2.gz AOFNQRBYXREGEI-RXMQYKEDSA-N 0 3 290.222 2.312 20 5 CEBDHN Cc1cc(N2CCCc3ccc(CN)nc32)ncc1[N+](=O)[O-] ZINC001169589894 811577560 /nfs/dbraw/zinc/57/75/60/811577560.db2.gz DIHLSCXCPQMIJG-UHFFFAOYSA-N 0 3 299.334 2.236 20 5 CEBDHN C[C@H](N)c1ccn(-c2ccc3cccc([N+](=O)[O-])c3n2)n1 ZINC001158349646 812669013 /nfs/dbraw/zinc/66/90/13/812669013.db2.gz UUYYWWGXTQTULX-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN Cn1ncc(CNCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000712499975 814751396 /nfs/dbraw/zinc/75/13/96/814751396.db2.gz ZFZKIOWLAMHESX-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]12CCOC2 ZINC001173233376 815632255 /nfs/dbraw/zinc/63/22/55/815632255.db2.gz VZAHLRRYSDHCTD-SWLSCSKDSA-N 0 3 276.336 2.391 20 5 CEBDHN C[C@@H](NCC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298508 346815574 /nfs/dbraw/zinc/81/55/74/346815574.db2.gz IXNCJIDXXWGFFQ-LDYMZIIASA-N 0 3 274.267 2.262 20 5 CEBDHN C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125178241 187173378 /nfs/dbraw/zinc/17/33/78/187173378.db2.gz FYQHLAVFRMHNOU-SMDDNHRTSA-N 0 3 264.325 2.188 20 5 CEBDHN CC[C@@H](N[C@@H](CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000036721143 361851445 /nfs/dbraw/zinc/85/14/45/361851445.db2.gz LQSJEGWTTKKUMC-WCQYABFASA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1ccc(CN[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040775762 361997137 /nfs/dbraw/zinc/99/71/37/361997137.db2.gz JZGMIKQKCUAADZ-CYBMUJFWSA-N 0 3 266.341 2.400 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CC(F)F ZINC000449284192 282171628 /nfs/dbraw/zinc/17/16/28/282171628.db2.gz OIFZFKHXJPOQRR-MWLCHTKSSA-N 0 3 288.294 2.132 20 5 CEBDHN COC[C@@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126472544 365711787 /nfs/dbraw/zinc/71/17/87/365711787.db2.gz LHRDRHJMQCEZBV-GFCCVEGCSA-N 0 3 250.298 2.109 20 5 CEBDHN COC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046037207 362174226 /nfs/dbraw/zinc/17/42/26/362174226.db2.gz IYQHFAUQGYCGIR-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN CCN(CC)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049091983 343534455 /nfs/dbraw/zinc/53/44/55/343534455.db2.gz LDYLKPBJCYAECJ-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332774 343947821 /nfs/dbraw/zinc/94/78/21/343947821.db2.gz IAFSZGJFLVATSZ-VXGBXAGGSA-N 0 3 278.356 2.156 20 5 CEBDHN Cc1cnc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660896 343960449 /nfs/dbraw/zinc/96/04/49/343960449.db2.gz XOWUYNILRZQQHR-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCC(O)CC2)c1 ZINC000088701839 344112831 /nfs/dbraw/zinc/11/28/31/344112831.db2.gz WMDVLUSVOSYZDT-UHFFFAOYSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899125 344173618 /nfs/dbraw/zinc/17/36/18/344173618.db2.gz VNZSSZJTIRZDEV-ZFWWWQNUSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000089603275 344126052 /nfs/dbraw/zinc/12/60/52/344126052.db2.gz NRQPLBCWMOLRLX-OAHLLOKOSA-N 0 3 291.351 2.260 20 5 CEBDHN CCN[C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602452786 347039842 /nfs/dbraw/zinc/03/98/42/347039842.db2.gz IWKFIZQEEAQLND-LBPRGKRZSA-N 0 3 293.367 2.032 20 5 CEBDHN CC(C)C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602469392 347045989 /nfs/dbraw/zinc/04/59/89/347045989.db2.gz UVIJIKVROYUJJY-LLVKDONJSA-N 0 3 266.345 2.196 20 5 CEBDHN CCN1CCC[C@@H](Nc2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162605092 344468008 /nfs/dbraw/zinc/46/80/08/344468008.db2.gz MFOKNTXQKIWHBY-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCCC[C@H]2O)cs1 ZINC000052001311 362458716 /nfs/dbraw/zinc/45/87/16/362458716.db2.gz JJZMBCHRDJIKKN-NXEZZACHSA-N 0 3 256.327 2.049 20 5 CEBDHN COc1ccncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000315110884 344746918 /nfs/dbraw/zinc/74/69/18/344746918.db2.gz OAWGSJHNDRWWAJ-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CCN(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054110054 362512520 /nfs/dbraw/zinc/51/25/20/362512520.db2.gz QVVHHIMCKPEJIC-NSHDSACASA-N 0 3 251.330 2.197 20 5 CEBDHN Cc1ccc(NC(=O)[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591673099 345273284 /nfs/dbraw/zinc/27/32/84/345273284.db2.gz MXRXRMKGPKNTQE-JTQLQIEISA-N 0 3 299.277 2.087 20 5 CEBDHN C[C@H](COCC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000593681877 345520037 /nfs/dbraw/zinc/52/00/37/345520037.db2.gz KUKQLOCCRWJQEI-LLVKDONJSA-N 0 3 264.325 2.500 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCC2(CO)CCC2)cc1 ZINC000593692945 345522112 /nfs/dbraw/zinc/52/21/12/345522112.db2.gz HLKGIRZMDMHVCG-UHFFFAOYSA-N 0 3 264.325 2.237 20 5 CEBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510191 345640926 /nfs/dbraw/zinc/64/09/26/345640926.db2.gz ARTSBJBSLKTUIV-JOYOIKCWSA-N 0 3 264.325 2.331 20 5 CEBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066256 345738685 /nfs/dbraw/zinc/73/86/85/345738685.db2.gz HBZXUOPRGYEXLC-GXFFZTMASA-N 0 3 276.336 2.333 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C/CO ZINC000595074886 345740322 /nfs/dbraw/zinc/74/03/22/345740322.db2.gz XKOHQMUJPACPKL-UFFNRZRYSA-N 0 3 250.298 2.102 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1[C@@H]3CCC[C@@H]31)OCCO2 ZINC000594985224 345721988 /nfs/dbraw/zinc/72/19/88/345721988.db2.gz ULMMXXCCNUWFCB-HBYGRHMLSA-N 0 3 290.319 2.254 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)CC1CC1 ZINC000595036772 345732302 /nfs/dbraw/zinc/73/23/02/345732302.db2.gz VZPBREAOQLOXOQ-PWSUYJOCSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595435245 345782229 /nfs/dbraw/zinc/78/22/29/345782229.db2.gz DBWYZZIWTIOGGQ-ONGXEEELSA-N 0 3 268.288 2.249 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000595750136 345865700 /nfs/dbraw/zinc/86/57/00/345865700.db2.gz OWSSCOOERPBIDJ-HNNXBMFYSA-N 0 3 276.336 2.332 20 5 CEBDHN Cc1c(CN2C[C@@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759420 345869233 /nfs/dbraw/zinc/86/92/33/345869233.db2.gz PXNJZRSVSDHIDD-UKRRQHHQSA-N 0 3 276.336 2.372 20 5 CEBDHN COc1cc(N2CC(N(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596179982 345961274 /nfs/dbraw/zinc/96/12/74/345961274.db2.gz SADPNHUQKXWMDD-UHFFFAOYSA-N 0 3 285.731 2.007 20 5 CEBDHN COCCN1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596090861 345938091 /nfs/dbraw/zinc/93/80/91/345938091.db2.gz XXPVPVTZZNMJFT-UHFFFAOYSA-N 0 3 299.396 2.487 20 5 CEBDHN Cc1cc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])s1 ZINC000596241453 345978368 /nfs/dbraw/zinc/97/83/68/345978368.db2.gz FNGYIPMTEUPFTF-CYBMUJFWSA-N 0 3 281.381 2.497 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000598677248 346399822 /nfs/dbraw/zinc/39/98/22/346399822.db2.gz NVGIYWQKZILHGJ-RISCZKNCSA-N 0 3 278.352 2.354 20 5 CEBDHN CO[C@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000599015718 346446006 /nfs/dbraw/zinc/44/60/06/346446006.db2.gz MFOJODHLCUDTAX-HAQNSBGRSA-N 0 3 250.298 2.170 20 5 CEBDHN O=c1[n-]ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164071 346470729 /nfs/dbraw/zinc/47/07/29/346470729.db2.gz JAQIGNVRDMDICI-NSHDSACASA-N 0 3 292.339 2.124 20 5 CEBDHN O=c1[n-]ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164071 346470732 /nfs/dbraw/zinc/47/07/32/346470732.db2.gz JAQIGNVRDMDICI-NSHDSACASA-N 0 3 292.339 2.124 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602679478 347140868 /nfs/dbraw/zinc/14/08/68/347140868.db2.gz FLHDFMVJBGEFMD-JTQLQIEISA-N 0 3 293.323 2.329 20 5 CEBDHN CC[C@@H]1CC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801120 347205070 /nfs/dbraw/zinc/20/50/70/347205070.db2.gz ZZVMGRRNCHCMGV-GXSJLCMTSA-N 0 3 252.318 2.091 20 5 CEBDHN C[C@@](CO)(NC[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000602732086 347176002 /nfs/dbraw/zinc/17/60/02/347176002.db2.gz NNHUZUPZVXCFEB-ZWUHOBOKSA-N 0 3 290.363 2.438 20 5 CEBDHN CC[C@](C)(CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733796 347177490 /nfs/dbraw/zinc/17/74/90/347177490.db2.gz WQUJTOLYWLBCSC-CABCVRRESA-N 0 3 296.367 2.207 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C2CC2)C1 ZINC000602833343 347217191 /nfs/dbraw/zinc/21/71/91/347217191.db2.gz OZECIQFAITVSBK-ZDUSSCGKSA-N 0 3 278.356 2.222 20 5 CEBDHN CCC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCC1 ZINC000602840648 347220494 /nfs/dbraw/zinc/22/04/94/347220494.db2.gz OWMFFTWYZQCRFP-GFCCVEGCSA-N 0 3 266.345 2.387 20 5 CEBDHN CCC(C)(C)[C@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602881705 347237415 /nfs/dbraw/zinc/23/74/15/347237415.db2.gz YUZPUVYBOHSLPH-VIFPVBQESA-N 0 3 254.334 2.243 20 5 CEBDHN C[C@@](CO)(NCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000602963535 347258649 /nfs/dbraw/zinc/25/86/49/347258649.db2.gz XQVUCIHFQXIDQM-HNNXBMFYSA-N 0 3 276.336 2.358 20 5 CEBDHN CN1CCN(CCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603628843 347382155 /nfs/dbraw/zinc/38/21/55/347382155.db2.gz FEJAPVIVZVTZOA-UHFFFAOYSA-N 0 3 292.383 2.034 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)Cc2ccco2)c1 ZINC000610871129 347719905 /nfs/dbraw/zinc/71/99/05/347719905.db2.gz HRJNMNXMYAGVDX-CYBMUJFWSA-N 0 3 290.319 2.129 20 5 CEBDHN C[C@H](N[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337419 347767638 /nfs/dbraw/zinc/76/76/38/347767638.db2.gz CGYMIXUSZWYCDI-GWCFXTLKSA-N 0 3 264.325 2.406 20 5 CEBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370624 347770518 /nfs/dbraw/zinc/77/05/18/347770518.db2.gz LLRPJIJUNZWSCJ-VIFPVBQESA-N 0 3 255.343 2.410 20 5 CEBDHN C[C@@H]1COCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000610990899 347728268 /nfs/dbraw/zinc/72/82/68/347728268.db2.gz UCHWDMPIQWXIMY-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C2CCCC1CCC2 ZINC000611185202 347749505 /nfs/dbraw/zinc/74/95/05/347749505.db2.gz GQVBWTDNMQEUPL-UHFFFAOYSA-N 0 3 291.351 2.164 20 5 CEBDHN C[C@@H](NC[C@H](O)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000129992487 365914270 /nfs/dbraw/zinc/91/42/70/365914270.db2.gz JPLRSEKQMRRJSB-ABAIWWIYSA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(CCCO)C1CC1 ZINC000612577446 347903907 /nfs/dbraw/zinc/90/39/07/347903907.db2.gz PBQIKVOVAPFJHR-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612582077 347904145 /nfs/dbraw/zinc/90/41/45/347904145.db2.gz RLLIGDJGUYYGQP-QEJZJMRPSA-N 0 3 276.336 2.106 20 5 CEBDHN CCc1nc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000613066837 347968241 /nfs/dbraw/zinc/96/82/41/347968241.db2.gz APXZOVDBHHSCNS-JTQLQIEISA-N 0 3 289.339 2.169 20 5 CEBDHN CCc1nnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000613066837 347968244 /nfs/dbraw/zinc/96/82/44/347968244.db2.gz APXZOVDBHHSCNS-JTQLQIEISA-N 0 3 289.339 2.169 20 5 CEBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273434720 192148125 /nfs/dbraw/zinc/14/81/25/192148125.db2.gz YFNLGXBKFPKCIQ-LLVKDONJSA-N 0 3 290.323 2.058 20 5 CEBDHN C[C@@H]1[C@@H](C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000339574591 215251347 /nfs/dbraw/zinc/25/13/47/215251347.db2.gz PPJWYQUSSOVVOJ-WDEREUQCSA-N 0 3 277.324 2.264 20 5 CEBDHN COC1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000090651075 180017888 /nfs/dbraw/zinc/01/78/88/180017888.db2.gz KHNGMLJWOYZMSJ-GFCCVEGCSA-N 0 3 294.351 2.441 20 5 CEBDHN NC(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271267361 191037333 /nfs/dbraw/zinc/03/73/33/191037333.db2.gz WMIVMXVFVFAKNY-UHFFFAOYSA-N 0 3 291.351 2.072 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)C[C@H](C)C1 ZINC000412040230 233320613 /nfs/dbraw/zinc/32/06/13/233320613.db2.gz QJJVSPVYBMPBLT-SDDRHHMPSA-N 0 3 264.325 2.359 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000352187844 219350107 /nfs/dbraw/zinc/35/01/07/219350107.db2.gz VFYZROLMKBYSGL-CQSZACIVSA-N 0 3 264.325 2.248 20 5 CEBDHN CC(C)[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393842 180376062 /nfs/dbraw/zinc/37/60/62/180376062.db2.gz MSFBTQAKJLQLLM-MFKMUULPSA-N 0 3 252.314 2.262 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCOC1 ZINC000130580782 365969959 /nfs/dbraw/zinc/96/99/59/365969959.db2.gz VHNFJZMUXKOQFC-MNOVXSKESA-N 0 3 280.324 2.118 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107687961 186187398 /nfs/dbraw/zinc/18/73/98/186187398.db2.gz BWVOHTMRHFRJBQ-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1ccc([C@H](C)NCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000130780335 365990786 /nfs/dbraw/zinc/99/07/86/365990786.db2.gz PMFRZGPVMPNKSC-NSHDSACASA-N 0 3 264.325 2.469 20 5 CEBDHN CC[C@H](N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131201133 366029015 /nfs/dbraw/zinc/02/90/15/366029015.db2.gz MJEKYZMSVIYCCA-AAEUAGOBSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000155149345 188187209 /nfs/dbraw/zinc/18/72/09/188187209.db2.gz LRRHTBLXLVWZOD-MWLCHTKSSA-N 0 3 268.288 2.249 20 5 CEBDHN CN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000156402370 188260293 /nfs/dbraw/zinc/26/02/93/188260293.db2.gz DMIRIISUVGBTPN-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](O)C3)o2)cc1 ZINC000157648992 188329508 /nfs/dbraw/zinc/32/95/08/188329508.db2.gz NUIRNNWHQIBQIS-ZDUSSCGKSA-N 0 3 288.303 2.421 20 5 CEBDHN CC[C@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908379 366098235 /nfs/dbraw/zinc/09/82/35/366098235.db2.gz DEVIPXAXOJRZPO-CMPLNLGQSA-N 0 3 252.314 2.406 20 5 CEBDHN CCC(C)(C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000074320847 363324760 /nfs/dbraw/zinc/32/47/60/363324760.db2.gz WVGNVDPRZVYBNG-UHFFFAOYSA-N 0 3 279.340 2.314 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451634588 283059068 /nfs/dbraw/zinc/05/90/68/283059068.db2.gz RVZDIDYOSZYQAJ-SLEUVZQESA-N 0 3 275.352 2.292 20 5 CEBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000273660106 192250165 /nfs/dbraw/zinc/25/01/65/192250165.db2.gz HWNWDXGBQYMTPB-GFCCVEGCSA-N 0 3 293.367 2.125 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000294594243 199100176 /nfs/dbraw/zinc/10/01/76/199100176.db2.gz CZBCZDYJNVLOPQ-GFCCVEGCSA-N 0 3 250.298 2.252 20 5 CEBDHN CCN(C)CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000341782303 216100905 /nfs/dbraw/zinc/10/09/05/216100905.db2.gz ZUNGDGYPEYDFOS-UHFFFAOYSA-N 0 3 265.313 2.161 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241510 216275104 /nfs/dbraw/zinc/27/51/04/216275104.db2.gz ZSFWGFKXZNFDJW-DTWKUNHWSA-N 0 3 272.251 2.347 20 5 CEBDHN Cc1ccc(CNC[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342236570 216273500 /nfs/dbraw/zinc/27/35/00/216273500.db2.gz VOQQMRPKFNVGRX-ZDUSSCGKSA-N 0 3 266.341 2.257 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342323505 216311239 /nfs/dbraw/zinc/31/12/39/216311239.db2.gz HTWVYRIMUGMRFT-VWYCJHECSA-N 0 3 252.314 2.323 20 5 CEBDHN COC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183291970 189353699 /nfs/dbraw/zinc/35/36/99/189353699.db2.gz ZYRWFAWLQQGONA-LLVKDONJSA-N 0 3 252.314 2.370 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428928 361534281 /nfs/dbraw/zinc/53/42/81/361534281.db2.gz HJPUPYWYQCWJNP-PELKAZGASA-N 0 3 265.313 2.215 20 5 CEBDHN C[C@@H](N[C@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804558 189396157 /nfs/dbraw/zinc/39/61/57/189396157.db2.gz OUNXMGCQEOVKSK-SWHYSGLUSA-N 0 3 291.351 2.290 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCOC(F)(F)F)c1 ZINC000089051806 363926457 /nfs/dbraw/zinc/92/64/57/363926457.db2.gz AUPYPLIFUDQWLB-UHFFFAOYSA-N 0 3 264.203 2.221 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCSCC1 ZINC000089986202 364028352 /nfs/dbraw/zinc/02/83/52/364028352.db2.gz IQJKZMBBEKGOEW-UHFFFAOYSA-N 0 3 282.365 2.413 20 5 CEBDHN C[C@@]1(CNCc2csc([N+](=O)[O-])c2)CCCO1 ZINC000094798458 364296562 /nfs/dbraw/zinc/29/65/62/364296562.db2.gz OMXLGFFFXJTPGO-NSHDSACASA-N 0 3 256.327 2.315 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000340415289 366877180 /nfs/dbraw/zinc/87/71/80/366877180.db2.gz JUGHBUYATVAUPR-UBHSHLNASA-N 0 3 294.351 2.094 20 5 CEBDHN C[C@H](O)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736133 366951153 /nfs/dbraw/zinc/95/11/53/366951153.db2.gz UDSSGCRHVPFBJD-OUJBWJOFSA-N 0 3 264.325 2.331 20 5 CEBDHN CC[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340688375 366987911 /nfs/dbraw/zinc/98/79/11/366987911.db2.gz MIJOPXCANWYNQR-LBPRGKRZSA-N 0 3 277.324 2.068 20 5 CEBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000162911937 367203509 /nfs/dbraw/zinc/20/35/09/367203509.db2.gz UQMGGMNSXKIGOS-NXEZZACHSA-N 0 3 291.307 2.251 20 5 CEBDHN COC(=O)[C@H](C)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000171299778 367517849 /nfs/dbraw/zinc/51/78/49/367517849.db2.gz RUZYFYGYBGPTIT-LLVKDONJSA-N 0 3 292.335 2.368 20 5 CEBDHN C[C@@H]1[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCCN1C ZINC000343455506 367825159 /nfs/dbraw/zinc/82/51/59/367825159.db2.gz JDTSJYKZOIWQFY-BDAKNGLRSA-N 0 3 295.368 2.199 20 5 CEBDHN CSCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000173526248 367919250 /nfs/dbraw/zinc/91/92/50/367919250.db2.gz WIDIFKLQEHWHFZ-UHFFFAOYSA-N 0 3 295.408 2.470 20 5 CEBDHN Cc1ccc([C@H](C)NCC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000183638589 368637542 /nfs/dbraw/zinc/63/75/42/368637542.db2.gz KXVWPMFHTRRFQD-JTQLQIEISA-N 0 3 279.340 2.065 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@H]3CCCC[C@H]32)n1 ZINC000246117039 370910997 /nfs/dbraw/zinc/91/09/97/370910997.db2.gz KTTUIQQLDPOLFH-NEPJUHHUSA-N 0 3 296.396 2.151 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCOCC(F)F ZINC000349214671 369268608 /nfs/dbraw/zinc/26/86/08/369268608.db2.gz MGAUBXNCFFMXIC-HYXAFXHYSA-N 0 3 286.278 2.479 20 5 CEBDHN C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000572826842 299402624 /nfs/dbraw/zinc/40/26/24/299402624.db2.gz FDMYOVZJVSREKO-QWRGUYRKSA-N 0 3 286.335 2.330 20 5 CEBDHN Cc1ccccc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000358257222 370975990 /nfs/dbraw/zinc/97/59/90/370975990.db2.gz DXMJGPFUFUZURP-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN COc1ccc(CN[C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000230893247 189811414 /nfs/dbraw/zinc/81/14/14/189811414.db2.gz ZYAWWTQVFPZFBT-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H](N[C@@H](C)CC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296504586 296145572 /nfs/dbraw/zinc/14/55/72/296145572.db2.gz PGLUEVOXGQNJBU-VHSXEESVSA-N 0 3 281.356 2.377 20 5 CEBDHN CCC1(CC)CN(CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000330918061 203388880 /nfs/dbraw/zinc/38/88/80/203388880.db2.gz MTIMDECRTASOGI-UHFFFAOYSA-N 0 3 298.412 2.399 20 5 CEBDHN CC[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)N1CCCC1 ZINC000192495052 369820685 /nfs/dbraw/zinc/82/06/85/369820685.db2.gz SVWHIFAOFFCFKA-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000352716826 369852468 /nfs/dbraw/zinc/85/24/68/369852468.db2.gz HMQNRKPERRKYPT-AWEZNQCLSA-N 0 3 293.342 2.402 20 5 CEBDHN Cc1c(CN[C@](C)(CO)C(C)C)cccc1[N+](=O)[O-] ZINC000352906676 369943808 /nfs/dbraw/zinc/94/38/08/369943808.db2.gz CVGMHLJWBHLLMP-CQSZACIVSA-N 0 3 266.341 2.400 20 5 CEBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000354441171 370364827 /nfs/dbraw/zinc/36/48/27/370364827.db2.gz WQCYXRGQHMOBFR-GHMZBOCLSA-N 0 3 295.339 2.133 20 5 CEBDHN Cc1cc(NCCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000228443578 370403873 /nfs/dbraw/zinc/40/38/73/370403873.db2.gz NBHKNYSEELMYKD-UHFFFAOYSA-N 0 3 261.281 2.246 20 5 CEBDHN COC[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000354696403 370468435 /nfs/dbraw/zinc/46/84/35/370468435.db2.gz BSKXCIPYPGRINR-XOIDGJRKSA-N 0 3 250.298 2.233 20 5 CEBDHN Cc1c(CNC[C@@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000231885770 370497443 /nfs/dbraw/zinc/49/74/43/370497443.db2.gz XIZARWVPNVVHEK-CQSZACIVSA-N 0 3 296.367 2.026 20 5 CEBDHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398875 371049448 /nfs/dbraw/zinc/04/94/48/371049448.db2.gz JUGLYUPGAQABLU-NTZNESFSSA-N 0 3 263.341 2.196 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCC[C@H]1C ZINC000360961105 371564617 /nfs/dbraw/zinc/56/46/17/371564617.db2.gz OREYXNQKCJPGTH-LLVKDONJSA-N 0 3 295.387 2.406 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000353307480 220018486 /nfs/dbraw/zinc/01/84/86/220018486.db2.gz KSNVLEHMAXJECE-HNNXBMFYSA-N 0 3 275.352 2.263 20 5 CEBDHN Cc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361164074 371691308 /nfs/dbraw/zinc/69/13/08/371691308.db2.gz CYDJKZLDMOSKIQ-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN CCN1CCC(N(C)c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000361271848 371752794 /nfs/dbraw/zinc/75/27/94/371752794.db2.gz LUJRLSHFPMQDAT-UHFFFAOYSA-N 0 3 278.356 2.219 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558512 372076842 /nfs/dbraw/zinc/07/68/42/372076842.db2.gz FIJYZQAVAMXHFD-RYUDHWBXSA-N 0 3 263.341 2.371 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802129 372228759 /nfs/dbraw/zinc/22/87/59/372228759.db2.gz BIPHFWYWUMDDBN-KOLCDFICSA-N 0 3 252.314 2.182 20 5 CEBDHN C[C@@H](O)C[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000269772578 372563051 /nfs/dbraw/zinc/56/30/51/372563051.db2.gz BUXYFWJEBBYTCU-OLZOCXBDSA-N 0 3 294.351 2.209 20 5 CEBDHN CS[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270418498 372782167 /nfs/dbraw/zinc/78/21/67/372782167.db2.gz ZJFCSSBOGCMXQK-QWHCGFSZSA-N 0 3 299.371 2.216 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000365908658 372952632 /nfs/dbraw/zinc/95/26/32/372952632.db2.gz PJAGYPVSUARLPT-LBPRGKRZSA-N 0 3 287.323 2.093 20 5 CEBDHN CC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270932635 373021409 /nfs/dbraw/zinc/02/14/09/373021409.db2.gz UHHURTIFXIFLGA-CQSZACIVSA-N 0 3 264.325 2.330 20 5 CEBDHN COC(=O)[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272271854 373398951 /nfs/dbraw/zinc/39/89/51/373398951.db2.gz DEWVURCIFSPCRD-NEPJUHHUSA-N 0 3 292.335 2.459 20 5 CEBDHN C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345049107 217396719 /nfs/dbraw/zinc/39/67/19/217396719.db2.gz GGLUDHXQHYOQSC-DMDPSCGWSA-N 0 3 262.309 2.182 20 5 CEBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000353645029 220219875 /nfs/dbraw/zinc/21/98/75/220219875.db2.gz ANOFDEDLTVIHRA-YVMONPNESA-N 0 3 264.325 2.312 20 5 CEBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000274430553 373920535 /nfs/dbraw/zinc/92/05/35/373920535.db2.gz DXASTYBECOYWQS-ZDUSSCGKSA-N 0 3 292.383 2.033 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000274449964 373927081 /nfs/dbraw/zinc/92/70/81/373927081.db2.gz DWNJAZBMRPGJJQ-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H](CO)C2)cc1 ZINC000374047099 374471675 /nfs/dbraw/zinc/47/16/75/374471675.db2.gz AJSOJZAPTKSEJT-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N(C)C)CCC1 ZINC000278324928 374780503 /nfs/dbraw/zinc/78/05/03/374780503.db2.gz LJSRGDLCKMAOAF-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1cc(C[NH2+]C[C@H]2CCSC2)c([N+](=O)[O-])cc1[O-] ZINC000280261516 375147474 /nfs/dbraw/zinc/14/74/74/375147474.db2.gz ZZUNXEBJGXEJHR-SECBINFHSA-N 0 3 298.364 2.152 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)O ZINC000386813532 375266985 /nfs/dbraw/zinc/26/69/85/375266985.db2.gz SEIFNRXGDVBYEQ-PELKAZGASA-N 0 3 272.732 2.497 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCN3C[C@@H]2C)n1 ZINC000408172155 375422770 /nfs/dbraw/zinc/42/27/70/375422770.db2.gz SJYYCRSIZQEYSQ-QWHCGFSZSA-N 0 3 290.367 2.280 20 5 CEBDHN COC(=O)[C@]1(C)CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282473069 375494137 /nfs/dbraw/zinc/49/41/37/375494137.db2.gz GQBDNJYSPYGNDQ-IAQYHMDHSA-N 0 3 292.335 2.226 20 5 CEBDHN Cc1c([C@H](C)NCC2([S@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509216 375502314 /nfs/dbraw/zinc/50/23/14/375502314.db2.gz YSMOJAYVOKDXGM-YBTHPKLGSA-N 0 3 296.392 2.465 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414535667 375841864 /nfs/dbraw/zinc/84/18/64/375841864.db2.gz WQKDHPJUEXPQBC-KGLIPLIRSA-N 0 3 266.341 2.480 20 5 CEBDHN COc1ccc(CN[C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585571 375869338 /nfs/dbraw/zinc/86/93/38/375869338.db2.gz UEQFIGANNADLEV-CHWSQXEVSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1ccc(CN2CCNC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414770165 375958676 /nfs/dbraw/zinc/95/86/76/375958676.db2.gz OLAWTUIBADFEQW-CQSZACIVSA-N 0 3 281.331 2.037 20 5 CEBDHN C[C@@H]1CCSCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347451 375921463 /nfs/dbraw/zinc/92/14/63/375921463.db2.gz XQWMOKGMMXOVLB-BXUZGUMPSA-N 0 3 296.392 2.456 20 5 CEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cccc([N+](=O)[O-])c1 ZINC000286713771 376043603 /nfs/dbraw/zinc/04/36/03/376043603.db2.gz WXRMAKBYHSGCNW-FHXAZYNBSA-N 0 3 288.347 2.450 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1NCC1(N(C)C)CC1 ZINC000419001953 376377774 /nfs/dbraw/zinc/37/77/74/376377774.db2.gz BITLJQKTEOUUQI-UHFFFAOYSA-N 0 3 279.340 2.247 20 5 CEBDHN Cc1cn[nH]c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290020751 376604474 /nfs/dbraw/zinc/60/44/74/376604474.db2.gz VDLHXFRIBLHILW-JTQLQIEISA-N 0 3 260.297 2.477 20 5 CEBDHN C[C@H](O)[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423437 190109010 /nfs/dbraw/zinc/10/90/10/190109010.db2.gz MVNUBCTWJBQNBM-WFASDCNBSA-N 0 3 294.351 2.209 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H](CO)C1 ZINC000311325440 376664064 /nfs/dbraw/zinc/66/40/64/376664064.db2.gz BLKCMFYEXVIEOW-WCQYABFASA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@@H]2CCOC2)c(F)c1 ZINC000311958031 376696192 /nfs/dbraw/zinc/69/61/92/376696192.db2.gz ISJQUNPLOCLILB-SNVBAGLBSA-N 0 3 268.288 2.250 20 5 CEBDHN C[C@@H](O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264701811 190129991 /nfs/dbraw/zinc/12/99/91/190129991.db2.gz IFWZCVAURHETIG-GFCCVEGCSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN(CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293276497 377501781 /nfs/dbraw/zinc/50/17/81/377501781.db2.gz COCHFXBVVYNXHP-NSHDSACASA-N 0 3 292.383 2.312 20 5 CEBDHN Cc1nocc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000293229650 377482576 /nfs/dbraw/zinc/48/25/76/377482576.db2.gz KPIXHIGFNIPLTB-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN C[C@@H]1[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000293401672 377553533 /nfs/dbraw/zinc/55/35/33/377553533.db2.gz LPDFHGDENXYIDS-WDEREUQCSA-N 0 3 250.298 2.314 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCN1CCCO ZINC000450598845 378493114 /nfs/dbraw/zinc/49/31/14/378493114.db2.gz RQFRSBQNISJAQG-AWEZNQCLSA-N 0 3 293.367 2.162 20 5 CEBDHN O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])s1 ZINC000298498862 378747063 /nfs/dbraw/zinc/74/70/63/378747063.db2.gz MWTGLIIVQSKJQP-UWVGGRQHSA-N 0 3 295.364 2.013 20 5 CEBDHN C[C@@H](N[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000453419203 378898417 /nfs/dbraw/zinc/89/84/17/378898417.db2.gz WQMVWXGKACRPIS-OASPWFOLSA-N 0 3 250.298 2.159 20 5 CEBDHN C[C@]1(CO)CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000304314899 379553303 /nfs/dbraw/zinc/55/33/03/379553303.db2.gz KZGJKTNEQTZAMV-ZIAGYGMSSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1cnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889119 190360737 /nfs/dbraw/zinc/36/07/37/190360737.db2.gz RBYPPILHWSFJAU-GHMZBOCLSA-N 0 3 276.340 2.335 20 5 CEBDHN CO[C@@]1(C)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000279235346 194345203 /nfs/dbraw/zinc/34/52/03/194345203.db2.gz FFSIAEVOWHYFQR-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1CCO ZINC000279236750 194346254 /nfs/dbraw/zinc/34/62/54/194346254.db2.gz JQFSLBYPRGOGGX-SMDDNHRTSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(CCNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000288638745 197133023 /nfs/dbraw/zinc/13/30/23/197133023.db2.gz ZADAMVBDXHAHMZ-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H](O)C(F)(F)F ZINC000349333775 218848204 /nfs/dbraw/zinc/84/82/04/218848204.db2.gz RKEFJGDSKDAUPV-LLVKDONJSA-N 0 3 292.257 2.306 20 5 CEBDHN O=[N+]([O-])c1ccccc1N1CC[C@H](N2CCCC2)C1 ZINC000072089588 285164124 /nfs/dbraw/zinc/16/41/24/285164124.db2.gz KESYHTMKSYQKFM-LBPRGKRZSA-N 0 3 261.325 2.269 20 5 CEBDHN CC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000080899379 177724729 /nfs/dbraw/zinc/72/47/29/177724729.db2.gz YJGLLDAYFDFRKD-LBPRGKRZSA-N 0 3 272.732 2.499 20 5 CEBDHN CCC[C@@H](N[C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614429 195309006 /nfs/dbraw/zinc/30/90/06/195309006.db2.gz NGHWVJJCCLOTNA-UKRRQHHQSA-N 0 3 296.367 2.423 20 5 CEBDHN CCN(CCNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413102458 394483430 /nfs/dbraw/zinc/48/34/30/394483430.db2.gz FAWCAZNCKFXSKC-UHFFFAOYSA-N 0 3 268.292 2.025 20 5 CEBDHN Cc1c(CN2CCC[C@@H]([C@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180760 394498654 /nfs/dbraw/zinc/49/86/54/394498654.db2.gz NOAXQSQZZGDTFA-GXTWGEPZSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1cc(N2CCN(C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791005 394615374 /nfs/dbraw/zinc/61/53/74/394615374.db2.gz IFFOAQGCFBDGJD-NWDGAFQWSA-N 0 3 263.341 2.432 20 5 CEBDHN CC[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000413824555 394645721 /nfs/dbraw/zinc/64/57/21/394645721.db2.gz CYZJOWOUWKPINP-LBPRGKRZSA-N 0 3 293.367 2.286 20 5 CEBDHN C[C@H](Nc1ncc([N+](=O)[O-])s1)C1=CCN(C)CC1 ZINC000281902078 394872525 /nfs/dbraw/zinc/87/25/25/394872525.db2.gz MUQRSGQEVSCPNG-QMMMGPOBSA-N 0 3 268.342 2.114 20 5 CEBDHN COC(=O)[C@]1(C)CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000281935440 394879786 /nfs/dbraw/zinc/87/97/86/394879786.db2.gz BFMFOVDLQOIZFP-IAQYHMDHSA-N 0 3 292.335 2.226 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000415508543 394940042 /nfs/dbraw/zinc/94/00/42/394940042.db2.gz VDRNQQQCNJEOGN-MNOVXSKESA-N 0 3 292.339 2.117 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@]2(CCOC2)C1 ZINC000153449347 395007880 /nfs/dbraw/zinc/00/78/80/395007880.db2.gz ZVLFMTFLOJGXPU-HNNXBMFYSA-N 0 3 292.335 2.086 20 5 CEBDHN C[C@@H](NCCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000289793033 395086939 /nfs/dbraw/zinc/08/69/39/395086939.db2.gz NHWPBTYVPJQQQN-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)C(F)F)CCC2 ZINC000436282601 395104621 /nfs/dbraw/zinc/10/46/21/395104621.db2.gz HQWKZQPYERSNCH-VXGBXAGGSA-N 0 3 286.278 2.188 20 5 CEBDHN CCn1cncc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000417949691 395162327 /nfs/dbraw/zinc/16/23/27/395162327.db2.gz JMGNMBLQRJQMBU-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN C[C@@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618794 395236848 /nfs/dbraw/zinc/23/68/48/395236848.db2.gz JBTJOKSAFJFMPN-YPMHNXCESA-N 0 3 264.325 2.045 20 5 CEBDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000293056831 395218097 /nfs/dbraw/zinc/21/80/97/395218097.db2.gz RZQXVOCDUXKTPP-SMDDNHRTSA-N 0 3 264.325 2.236 20 5 CEBDHN CC[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CC1(C)C ZINC000419315500 395255472 /nfs/dbraw/zinc/25/54/72/395255472.db2.gz JXJBZOYUKRSRIN-ZJUUUORDSA-N 0 3 266.345 2.243 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCOC1 ZINC000568107704 395548965 /nfs/dbraw/zinc/54/89/65/395548965.db2.gz WAHZIYPTMYFQLR-ZWNOBZJWSA-N 0 3 262.309 2.351 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ncc[nH]3)c2c1 ZINC000572796274 395587518 /nfs/dbraw/zinc/58/75/18/395587518.db2.gz CHIGRPCDJVAEPV-UHFFFAOYSA-N 0 3 285.307 2.132 20 5 CEBDHN CN1CC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000574898370 395640369 /nfs/dbraw/zinc/64/03/69/395640369.db2.gz QWJQWKRAWULYHA-ABAIWWIYSA-N 0 3 298.346 2.283 20 5 CEBDHN COc1ccc(CNC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000227344220 153340992 /nfs/dbraw/zinc/34/09/92/153340992.db2.gz IZKILECXEKETME-UHFFFAOYSA-N 0 3 282.340 2.243 20 5 CEBDHN C[C@H](NCCc1ccn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000230876174 153398374 /nfs/dbraw/zinc/39/83/74/153398374.db2.gz AQVIJXGKPUJGID-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CSCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375404157 157093092 /nfs/dbraw/zinc/09/30/92/157093092.db2.gz NMUQQOYKUPPKBS-LLVKDONJSA-N 0 3 284.385 2.181 20 5 CEBDHN COC(C)(C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000531576293 298111849 /nfs/dbraw/zinc/11/18/49/298111849.db2.gz SGHFCPFFJMZKSH-UHFFFAOYSA-N 0 3 282.340 2.330 20 5 CEBDHN CC(C)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176267024 165158290 /nfs/dbraw/zinc/15/82/90/165158290.db2.gz FBHMXLAKORDHGD-UHFFFAOYSA-N 0 3 266.345 2.159 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCOC[C@H]2CCCO2)cc1 ZINC000020146881 171033264 /nfs/dbraw/zinc/03/32/64/171033264.db2.gz LZEYCYPHRJCYPP-OAHLLOKOSA-N 0 3 294.351 2.270 20 5 CEBDHN COC(=O)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037415954 173192626 /nfs/dbraw/zinc/19/26/26/173192626.db2.gz GJGGVLGEVILKFC-SNVBAGLBSA-N 0 3 266.297 2.199 20 5 CEBDHN CC[C@@H](NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060579 174071328 /nfs/dbraw/zinc/07/13/28/174071328.db2.gz YVHUJWXPCGHHNP-UONOGXRCSA-N 0 3 280.324 2.051 20 5 CEBDHN C[C@H](N[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672679 174370386 /nfs/dbraw/zinc/37/03/86/174370386.db2.gz QEABEDVAOVTKEP-WCQYABFASA-N 0 3 263.341 2.340 20 5 CEBDHN C[C@H](N[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672575 174370430 /nfs/dbraw/zinc/37/04/30/174370430.db2.gz JVUCEDRWVJHFQB-WCQYABFASA-N 0 3 263.341 2.340 20 5 CEBDHN Cc1ccc(NC(=O)N[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604229571 414821809 /nfs/dbraw/zinc/82/18/09/414821809.db2.gz YQQAXFATEWFGAX-GFCCVEGCSA-N 0 3 292.339 2.119 20 5 CEBDHN CCC[C@H](NC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270592 176103928 /nfs/dbraw/zinc/10/39/28/176103928.db2.gz BCICZIBCUPTLDQ-KGLIPLIRSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2CO)c(Cl)c1 ZINC000230143809 270313556 /nfs/dbraw/zinc/31/35/56/270313556.db2.gz KXSFAVNQXMHKHU-GWCFXTLKSA-N 0 3 284.743 2.499 20 5 CEBDHN CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000186017341 270247685 /nfs/dbraw/zinc/24/76/85/270247685.db2.gz YAJQGJKORTTZJI-GFCCVEGCSA-N 0 3 299.758 2.205 20 5 CEBDHN Cc1ccc(CNC[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316498220 270334297 /nfs/dbraw/zinc/33/42/97/270334297.db2.gz WNBNDYFJRPZQMN-CQSZACIVSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2CCC2)c(Cl)c1 ZINC000316654318 270334754 /nfs/dbraw/zinc/33/47/54/270334754.db2.gz WFPMREUVMOAJNG-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C(C)C)CC1 ZINC000430208819 271363323 /nfs/dbraw/zinc/36/33/23/271363323.db2.gz PLUUAPNJJZJGCI-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226791878 277064402 /nfs/dbraw/zinc/06/44/02/277064402.db2.gz XXYGZUUFAQWAEW-SECBINFHSA-N 0 3 297.742 2.072 20 5 CEBDHN CCC[C@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000295163762 278935602 /nfs/dbraw/zinc/93/56/02/278935602.db2.gz SNRFIKICFWRZDX-LLVKDONJSA-N 0 3 298.339 2.214 20 5 CEBDHN COc1ccc(CNCC(C)(C)OC)cc1[N+](=O)[O-] ZINC000135229786 280039856 /nfs/dbraw/zinc/03/98/56/280039856.db2.gz LGHMQKKOGMRDDL-UHFFFAOYSA-N 0 3 268.313 2.118 20 5 CEBDHN C[C@H](N[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000245471313 280242829 /nfs/dbraw/zinc/24/28/29/280242829.db2.gz XLTNQLHCQJHFST-ZWKOPEQDSA-N 0 3 250.298 2.159 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2ccccc2)CC1 ZINC000271866841 280394678 /nfs/dbraw/zinc/39/46/78/280394678.db2.gz VHRZWMJEPPPFON-UHFFFAOYSA-N 0 3 299.330 2.035 20 5 CEBDHN NC(=O)c1ccc(CN2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426454918 281194378 /nfs/dbraw/zinc/19/43/78/281194378.db2.gz AXRIKRWFKUIDMA-ZWNOBZJWSA-N 0 3 289.335 2.068 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCC(=O)N(C)C1 ZINC000152423318 289088211 /nfs/dbraw/zinc/08/82/11/289088211.db2.gz YSXALAOEWZAABV-NEPJUHHUSA-N 0 3 291.351 2.175 20 5 CEBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000228849167 290061182 /nfs/dbraw/zinc/06/11/82/290061182.db2.gz ODVRIOAPUAGFEY-TVYUQYBPSA-N 0 3 264.325 2.405 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)Cn1cncn1 ZINC000531963019 298126915 /nfs/dbraw/zinc/12/69/15/298126915.db2.gz WAQOTZZCBUBBPS-RYUDHWBXSA-N 0 3 289.339 2.234 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(CC1CCOCC1)C2 ZINC000534511931 298175653 /nfs/dbraw/zinc/17/56/53/298175653.db2.gz OCSZQSBWBHGWMB-UHFFFAOYSA-N 0 3 276.336 2.380 20 5 CEBDHN Cc1ccc(CN2CCC(CCO)CC2)cc1[N+](=O)[O-] ZINC000536632227 298202723 /nfs/dbraw/zinc/20/27/23/298202723.db2.gz UYGIINQUSPRKMU-UHFFFAOYSA-N 0 3 278.352 2.498 20 5 CEBDHN COc1cc(CN2CCN(C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000517167910 313104506 /nfs/dbraw/zinc/10/45/06/313104506.db2.gz AJWWYMGUALZRSU-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN COc1ccc(CN(C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000532086459 313339090 /nfs/dbraw/zinc/33/90/90/313339090.db2.gz BABWKMTZQNNUEM-UHFFFAOYSA-N 0 3 282.340 2.460 20 5 CEBDHN C/C=C\C[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478769 314281068 /nfs/dbraw/zinc/28/10/68/314281068.db2.gz BFNSOVKDHHJDPG-ZRNPCAPESA-N 0 3 276.336 2.499 20 5 CEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842354 314316818 /nfs/dbraw/zinc/31/68/18/314316818.db2.gz GNYMMAYLSHHUCO-MFKMUULPSA-N 0 3 294.330 2.192 20 5 CEBDHN CCC[C@H](NC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573533 321842528 /nfs/dbraw/zinc/84/25/28/321842528.db2.gz SZWLDYVCJYJXPP-LSDHHAIUSA-N 0 3 296.367 2.423 20 5 CEBDHN C[C@@H](NCCCC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000390178865 321893737 /nfs/dbraw/zinc/89/37/37/321893737.db2.gz PXCRLMUZTDOCIS-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000582295839 322461267 /nfs/dbraw/zinc/46/12/67/322461267.db2.gz KWKYDOZNYZIZNQ-UHFFFAOYSA-N 0 3 289.335 2.146 20 5 CEBDHN CO[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000050370377 523661915 /nfs/dbraw/zinc/66/19/15/523661915.db2.gz XJESGZXGRURKNP-CHWSQXEVSA-N 0 3 250.298 2.252 20 5 CEBDHN COC(=O)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000366662207 523974423 /nfs/dbraw/zinc/97/44/23/523974423.db2.gz JYPNJMGOBCRRLW-CYBMUJFWSA-N 0 3 292.335 2.226 20 5 CEBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000173515230 528574367 /nfs/dbraw/zinc/57/43/67/528574367.db2.gz FSAYIGMWVUSDKN-UHFFFAOYSA-N 0 3 280.324 2.467 20 5 CEBDHN CC[C@H](O)[C@H](CC)NCc1ccc([N+](=O)[O-])cc1 ZINC000313127130 536008869 /nfs/dbraw/zinc/00/88/69/536008869.db2.gz ZHCOMULYNPNRGD-STQMWFEESA-N 0 3 252.314 2.234 20 5 CEBDHN COc1ccc(CN[C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313060101 536898575 /nfs/dbraw/zinc/89/85/75/536898575.db2.gz GLHSRNGSUIKGFG-CYBMUJFWSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@H](N[C@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049669 575147377 /nfs/dbraw/zinc/14/73/77/575147377.db2.gz UWEPGVRCQHSFEU-GXFFZTMASA-N 0 3 264.325 2.406 20 5 CEBDHN CCCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749942109 575240722 /nfs/dbraw/zinc/24/07/22/575240722.db2.gz TUVRIEAINGWIFM-UHFFFAOYSA-N 0 3 277.328 2.337 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCNc2ncccn2)cs1 ZINC000751507152 575290767 /nfs/dbraw/zinc/29/07/67/575290767.db2.gz VDNUTRFFGWFEQS-UHFFFAOYSA-N 0 3 293.352 2.038 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC(C)C)c1[N+](=O)[O-] ZINC000892425973 625365295 /nfs/dbraw/zinc/36/52/95/625365295.db2.gz QLARBFNDTYLAEE-UHFFFAOYSA-N 0 3 254.286 2.055 20 5 CEBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000235448688 625567573 /nfs/dbraw/zinc/56/75/73/625567573.db2.gz DWWQSYYWRGZRDP-TVQRCGJNSA-N 0 3 268.288 2.391 20 5 CEBDHN Cc1nc(C(F)(F)F)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107054 623026579 /nfs/dbraw/zinc/02/65/79/623026579.db2.gz LHJOJOFICRGVON-LURJTMIESA-N 0 3 292.213 2.231 20 5 CEBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813108870 623043243 /nfs/dbraw/zinc/04/32/43/623043243.db2.gz MIOQPQQJHHARJW-SNVBAGLBSA-N 0 3 276.292 2.483 20 5 CEBDHN CCCN(CC)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813111275 623046819 /nfs/dbraw/zinc/04/68/19/623046819.db2.gz FWPWRNCRKAWIBR-NSHDSACASA-N 0 3 295.339 2.140 20 5 CEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cnn1C)c1cccs1 ZINC000891489074 623741519 /nfs/dbraw/zinc/74/15/19/623741519.db2.gz DDYFGWUQCIKBRI-SECBINFHSA-N 0 3 295.368 2.105 20 5 CEBDHN CC(COC(=O)CC(C)(C)CC(F)F)[N+](=O)[O-] ZINC000893047541 627967897 /nfs/dbraw/zinc/96/78/97/627967897.db2.gz NEQSZGPEBSKPNC-SSDOTTSWSA-N 0 3 253.245 2.266 20 5 CEBDHN COc1ccc2c(c1)CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000893048550 627968659 /nfs/dbraw/zinc/96/86/59/627968659.db2.gz XVMVMGZQGYVJOO-ZWNOBZJWSA-N 0 3 293.319 2.009 20 5 CEBDHN C[C@H]1[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928457053 629721617 /nfs/dbraw/zinc/72/16/17/629721617.db2.gz OUIDKAUUKQPXBN-GZMMTYOYSA-N 0 3 297.742 2.071 20 5 CEBDHN CC(C)Oc1nc(N[C@@H]2CCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895736535 630326747 /nfs/dbraw/zinc/32/67/47/630326747.db2.gz KLNSZKIOUBXIJX-GHMZBOCLSA-N 0 3 294.355 2.282 20 5 CEBDHN CCc1nn(C)c(NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897249464 631016724 /nfs/dbraw/zinc/01/67/24/631016724.db2.gz VTFCBMWJTRXPQR-UHFFFAOYSA-N 0 3 295.387 2.035 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@H](O)C1CC1 ZINC000898195857 632110217 /nfs/dbraw/zinc/11/02/17/632110217.db2.gz ZOHXCRQFWKHYCV-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@H](NCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084909 632452070 /nfs/dbraw/zinc/45/20/70/632452070.db2.gz OGKKJMNGHXUXNY-SMDDNHRTSA-N 0 3 280.324 2.051 20 5 CEBDHN CC(COC(=O)c1cnc(-c2ccccn2)s1)[N+](=O)[O-] ZINC000813101778 632620788 /nfs/dbraw/zinc/62/07/88/632620788.db2.gz IRDXGPHFPBXEFL-MRVPVSSYSA-N 0 3 293.304 2.027 20 5 CEBDHN Cc1ccnc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813100178 632621091 /nfs/dbraw/zinc/62/10/91/632621091.db2.gz OONAQLHDFBSXDH-SNVBAGLBSA-N 0 3 274.276 2.365 20 5 CEBDHN COc1ccccc1/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813102535 632621538 /nfs/dbraw/zinc/62/15/38/632621538.db2.gz RLMNBNAGYKVISS-HIJJYWJESA-N 0 3 279.292 2.307 20 5 CEBDHN CC(C)OCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102758 632621671 /nfs/dbraw/zinc/62/16/71/632621671.db2.gz UXPXBUHBPOIVGR-LLVKDONJSA-N 0 3 281.308 2.434 20 5 CEBDHN CC(COC(=O)C(C)(C)c1cccs1)[N+](=O)[O-] ZINC000813105034 632622900 /nfs/dbraw/zinc/62/29/00/632622900.db2.gz UGWLDOCACNFCNJ-MRVPVSSYSA-N 0 3 257.311 2.234 20 5 CEBDHN Cc1ccc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2n1 ZINC000813107473 632624248 /nfs/dbraw/zinc/62/42/48/632624248.db2.gz OEZSTTJGZUEGMR-SNVBAGLBSA-N 0 3 274.276 2.365 20 5 CEBDHN CC(COC(=O)c1cccc(C(F)F)c1)[N+](=O)[O-] ZINC000813111767 632627402 /nfs/dbraw/zinc/62/74/02/632627402.db2.gz XBSURADHNZFAOG-ZETCQYMHSA-N 0 3 259.208 2.446 20 5 CEBDHN CC(COC(=O)[C@H](C)c1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813112233 632627422 /nfs/dbraw/zinc/62/74/22/632627422.db2.gz OFFMOAVSQDHKNX-GHMZBOCLSA-N 0 3 290.319 2.490 20 5 CEBDHN CC(COC(=O)CO[C@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813110873 632627708 /nfs/dbraw/zinc/62/77/08/632627708.db2.gz LGOPJEPQLAIHBQ-FZMZJTMJSA-N 0 3 293.319 2.289 20 5 CEBDHN CC(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813111897 632627773 /nfs/dbraw/zinc/62/77/73/632627773.db2.gz BDVULBRQAPMLNA-ZCFIWIBFSA-N 0 3 288.643 2.070 20 5 CEBDHN CC(COC(=O)[C@H](C)CC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813113429 632628650 /nfs/dbraw/zinc/62/86/50/632628650.db2.gz PUMXUMTVWCCMQV-ZJUUUORDSA-N 0 3 297.282 2.243 20 5 CEBDHN Cc1ccc(-c2ccc(C3(O)CNC3)cc2)cc1[N+](=O)[O-] ZINC000899325662 632789977 /nfs/dbraw/zinc/78/99/77/632789977.db2.gz ZBMUVZSBIVCLIG-UHFFFAOYSA-N 0 3 284.315 2.361 20 5 CEBDHN O=[N+]([O-])CCNCCc1csc2ccccc12 ZINC000899869802 633064689 /nfs/dbraw/zinc/06/46/89/633064689.db2.gz AIYWXBCPWBFCJK-UHFFFAOYSA-N 0 3 250.323 2.310 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])ccn1C(C)C ZINC000816090863 633115379 /nfs/dbraw/zinc/11/53/79/633115379.db2.gz APJXPOBHLXSLRQ-VIFPVBQESA-N 0 3 254.286 2.199 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000817740374 633733383 /nfs/dbraw/zinc/73/33/83/633733383.db2.gz ZXUYYONTVLQXQN-VIFPVBQESA-N 0 3 282.252 2.034 20 5 CEBDHN CC(COC(=O)c1cc2ccncc2s1)[N+](=O)[O-] ZINC000835456209 638264177 /nfs/dbraw/zinc/26/41/77/638264177.db2.gz TWFJOFAHRXRACG-ZETCQYMHSA-N 0 3 266.278 2.118 20 5 CEBDHN Cc1cc(F)c(CC(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000835457136 638264327 /nfs/dbraw/zinc/26/43/27/638264327.db2.gz XGPHWJMVWHEBKM-QMMMGPOBSA-N 0 3 273.235 2.024 20 5 CEBDHN CC[C@H](C)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182931 638599769 /nfs/dbraw/zinc/59/97/69/638599769.db2.gz LQDXTXMXCPGTGR-GXFFZTMASA-N 0 3 291.351 2.247 20 5 CEBDHN CCOc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000842363985 640030377 /nfs/dbraw/zinc/03/03/77/640030377.db2.gz QSGPNJATPCHLLN-RYUDHWBXSA-N 0 3 295.335 2.472 20 5 CEBDHN COc1ccc(OC(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000851036221 642890369 /nfs/dbraw/zinc/89/03/69/642890369.db2.gz GMBUAJFGEIFWHA-SNVBAGLBSA-N 0 3 297.307 2.061 20 5 CEBDHN Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242759 643720303 /nfs/dbraw/zinc/72/03/03/643720303.db2.gz WSYMAMOZGTZHCH-MNOVXSKESA-N 0 3 297.380 2.240 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCO)CC2CC2)cc1Cl ZINC000761505105 645292694 /nfs/dbraw/zinc/29/26/94/645292694.db2.gz FPVLPNLAOXUKOH-UHFFFAOYSA-N 0 3 284.743 2.453 20 5 CEBDHN Cc1ccccc1C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777186 645902747 /nfs/dbraw/zinc/90/27/47/645902747.db2.gz MBOCMFWTFXJREC-VXGBXAGGSA-N 0 3 265.309 2.382 20 5 CEBDHN CCOC1CC(N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805820431 648051050 /nfs/dbraw/zinc/05/10/50/648051050.db2.gz NBEKBLKETMVKFJ-NRXISQOPSA-N 0 3 294.351 2.128 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508466 648196055 /nfs/dbraw/zinc/19/60/55/648196055.db2.gz UZENLDJAMBYSAH-NOZJJQNGSA-N 0 3 291.307 2.154 20 5 CEBDHN O=[N+]([O-])CCN(Cc1ccccc1)CC1CCOCC1 ZINC000791051424 648475949 /nfs/dbraw/zinc/47/59/49/648475949.db2.gz CUBHIQDYPUGXOJ-UHFFFAOYSA-N 0 3 278.352 2.192 20 5 CEBDHN Cc1c(CNC[C@@](C)(O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873062432 649547770 /nfs/dbraw/zinc/54/77/70/649547770.db2.gz QUNIAPSDDBSITN-OAHLLOKOSA-N 0 3 290.319 2.494 20 5 CEBDHN O=C1OCC[C@H]1CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000873161288 649575616 /nfs/dbraw/zinc/57/56/16/649575616.db2.gz NPUZLNQVYKXUNU-SNVBAGLBSA-N 0 3 296.298 2.167 20 5 CEBDHN Cc1cc2ccccc2nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532197 649695837 /nfs/dbraw/zinc/69/58/37/649695837.db2.gz CTWOULAPFVDZQJ-SNVBAGLBSA-N 0 3 274.276 2.365 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)CC1CCC1 ZINC000883126311 652370813 /nfs/dbraw/zinc/37/08/13/652370813.db2.gz LPNGZNKBQVUIRC-CYBMUJFWSA-N 0 3 264.325 2.236 20 5 CEBDHN CC[C@@H](C[C@@H](C)O)NCc1csc([N+](=O)[O-])c1 ZINC000716858966 815147331 /nfs/dbraw/zinc/14/73/31/815147331.db2.gz ASJUSFNQEWPMIA-SCZZXKLOSA-N 0 3 258.343 2.295 20 5 CEBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975654 811323708 /nfs/dbraw/zinc/32/37/08/811323708.db2.gz WQKTWDHBBZCCQS-MWLCHTKSSA-N 0 3 298.289 2.183 20 5 CEBDHN Cc1ccccc1C1(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168994122 811324634 /nfs/dbraw/zinc/32/46/34/811324634.db2.gz PKEIHFUZTIMYAK-UONOGXRCSA-N 0 3 290.363 2.256 20 5 CEBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999401 811326134 /nfs/dbraw/zinc/32/61/34/811326134.db2.gz SQRKWLVUWYOARG-ZWNOBZJWSA-N 0 3 280.299 2.043 20 5 CEBDHN Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc([C@@H](C)N)n1 ZINC001169231443 811446509 /nfs/dbraw/zinc/44/65/09/811446509.db2.gz JQPZECQKPDSIAE-MRVPVSSYSA-N 0 3 264.260 2.248 20 5 CEBDHN Cc1cc(Cl)c(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170574692 812698146 /nfs/dbraw/zinc/69/81/46/812698146.db2.gz NUIFDUWEPKMULH-SKDRFNHKSA-N 0 3 299.758 2.345 20 5 CEBDHN CCC(=O)CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220222 815625851 /nfs/dbraw/zinc/62/58/51/815625851.db2.gz VZLFTYPRAOALBM-SNVBAGLBSA-N 0 3 250.298 2.095 20 5 CEBDHN C[C@H](NCCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000289990116 197554251 /nfs/dbraw/zinc/55/42/51/197554251.db2.gz YJXYWBUMGPVAAK-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN CC[C@@H](NCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751813 361929904 /nfs/dbraw/zinc/92/99/04/361929904.db2.gz JTCAZXOYTNYNRB-CYBMUJFWSA-N 0 3 279.340 2.114 20 5 CEBDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037782983 361936859 /nfs/dbraw/zinc/93/68/59/361936859.db2.gz PMJDSXVZCRWTOT-RYUDHWBXSA-N 0 3 291.351 2.256 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449507325 282262915 /nfs/dbraw/zinc/26/29/15/282262915.db2.gz LVTJPILQLJUPSS-HOCLYGCPSA-N 0 3 290.363 2.482 20 5 CEBDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC2)ccc1[N+](=O)[O-] ZINC000046408563 343499035 /nfs/dbraw/zinc/49/90/35/343499035.db2.gz OVDHJTQGQVXXRQ-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000057714285 343636141 /nfs/dbraw/zinc/63/61/41/343636141.db2.gz LIYWDHVGIVONEZ-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CCC1(O)CCC1 ZINC000411724479 529935290 /nfs/dbraw/zinc/93/52/90/529935290.db2.gz ULNKLLABVBFCDR-UHFFFAOYSA-N 0 3 278.352 2.374 20 5 CEBDHN CCC[C@@H](NCC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606094 344140965 /nfs/dbraw/zinc/14/09/65/344140965.db2.gz SIABZYVLGOJTGT-CQSZACIVSA-N 0 3 294.351 2.035 20 5 CEBDHN C[C@H]1CCCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602468945 347044702 /nfs/dbraw/zinc/04/47/02/347044702.db2.gz OYDBVQNBEDETIC-JTQLQIEISA-N 0 3 252.318 2.093 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cccc3[nH]ccc32)c1 ZINC000151285033 344420525 /nfs/dbraw/zinc/42/05/25/344420525.db2.gz ZXVZLXGSALHTLM-UHFFFAOYSA-N 0 3 285.307 2.062 20 5 CEBDHN CN(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000146362186 344410427 /nfs/dbraw/zinc/41/04/27/344410427.db2.gz NQVLHJIYOQBTOM-LLVKDONJSA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1cnccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000228669441 344562968 /nfs/dbraw/zinc/56/29/68/344562968.db2.gz YSFRHGKFIFDAQZ-UHFFFAOYSA-N 0 3 287.319 2.467 20 5 CEBDHN Cc1c(CN2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000050104486 362400869 /nfs/dbraw/zinc/40/08/69/362400869.db2.gz IFJWBDLSDNYJCA-LBPRGKRZSA-N 0 3 264.325 2.108 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051688548 362433518 /nfs/dbraw/zinc/43/35/18/362433518.db2.gz FJDFTKSBSUNGFS-UHFFFAOYSA-N 0 3 250.298 2.458 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](O)C1CCC1 ZINC000449742340 282349277 /nfs/dbraw/zinc/34/92/77/282349277.db2.gz YYNZNPZWPCGTDQ-LWUPOJRFSA-N 0 3 276.336 2.359 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1CCOCC1 ZINC000052172646 362468599 /nfs/dbraw/zinc/46/85/99/362468599.db2.gz AQMYPQPXTAEEHL-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCCCC2)cc1 ZINC000053096242 362481418 /nfs/dbraw/zinc/48/14/18/362481418.db2.gz YUJFDNWNRQOHIG-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN C[C@@H](CCO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555777 347075297 /nfs/dbraw/zinc/07/52/97/347075297.db2.gz IVKMNZMOCKRQTK-QMMMGPOBSA-N 0 3 292.257 2.474 20 5 CEBDHN C[C@H](CF)N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000589207911 345072032 /nfs/dbraw/zinc/07/20/32/345072032.db2.gz ZIRCTCYIEBKFLE-VHSXEESVSA-N 0 3 283.303 2.260 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1ccsc1[N+](=O)[O-] ZINC000591464227 345259409 /nfs/dbraw/zinc/25/94/09/345259409.db2.gz RKEOJDXRGBDCFB-SECBINFHSA-N 0 3 255.343 2.187 20 5 CEBDHN CC[C@@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000591532449 345263627 /nfs/dbraw/zinc/26/36/27/345263627.db2.gz LJWGYWNATQHXDL-CMPLNLGQSA-N 0 3 252.314 2.325 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](C)CO ZINC000273938123 192370463 /nfs/dbraw/zinc/37/04/63/192370463.db2.gz DAUOQCKDJWSRAK-NEPJUHHUSA-N 0 3 296.367 2.489 20 5 CEBDHN C[C@@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000592380633 345348067 /nfs/dbraw/zinc/34/80/67/345348067.db2.gz WVPGCKAPHQBGHQ-FJYXQWIHSA-N 0 3 262.309 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CO)CCF)CCC2 ZINC000593718700 345526323 /nfs/dbraw/zinc/52/63/23/345526323.db2.gz PCNHBTMGSKZQES-SMDDNHRTSA-N 0 3 282.315 2.282 20 5 CEBDHN Cc1c([C@H](C)N[C@@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000593718723 345526417 /nfs/dbraw/zinc/52/64/17/345526417.db2.gz PYVFTRRUUQZVBE-WDEREUQCSA-N 0 3 270.304 2.274 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594712257 345676735 /nfs/dbraw/zinc/67/67/35/345676735.db2.gz UKWGYVSHGPCXIK-NJZAAPMLSA-N 0 3 294.351 2.297 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C[C@H](O)C12CCC2 ZINC000595089867 345741047 /nfs/dbraw/zinc/74/10/47/345741047.db2.gz PVBNKSQUAOPDFR-QEJZJMRPSA-N 0 3 288.347 2.475 20 5 CEBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964643 345718656 /nfs/dbraw/zinc/71/86/56/345718656.db2.gz LLKHEDIIGTUDEK-VQZRKKFQSA-N 0 3 296.392 2.374 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC/C=C\CO ZINC000594974228 345720259 /nfs/dbraw/zinc/72/02/59/345720259.db2.gz ITHQZDZLRCXCFX-OXBVQVJRSA-N 0 3 262.309 2.136 20 5 CEBDHN COc1ccc(CN[C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000594973465 345720345 /nfs/dbraw/zinc/72/03/45/345720345.db2.gz CGPJPCFYZLXGLF-LBPRGKRZSA-N 0 3 292.335 2.405 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCOC1 ZINC000595018085 345728408 /nfs/dbraw/zinc/72/84/08/345728408.db2.gz PTZNTINSAQKYJU-QWRGUYRKSA-N 0 3 280.324 2.291 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[C@H](C)O ZINC000595033698 345731596 /nfs/dbraw/zinc/73/15/96/345731596.db2.gz RZKPKSZDYPGNAM-VWYCJHECSA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)C1CCC1 ZINC000595056958 345735984 /nfs/dbraw/zinc/73/59/84/345735984.db2.gz UNOIJCXIORVZCX-QMTHXVAHSA-N 0 3 294.351 2.415 20 5 CEBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000595460874 345789129 /nfs/dbraw/zinc/78/91/29/345789129.db2.gz RQXBOWJGBTTXPA-JOCQHMNTSA-N 0 3 282.315 2.469 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000595827047 345887420 /nfs/dbraw/zinc/88/74/20/345887420.db2.gz KWHBKEHKNMERNX-STQMWFEESA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(COC2)C1 ZINC000595834059 345890492 /nfs/dbraw/zinc/89/04/92/345890492.db2.gz GNUQYJAXPKJLPO-LLVKDONJSA-N 0 3 262.309 2.378 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000595751027 345866362 /nfs/dbraw/zinc/86/63/62/345866362.db2.gz FLMKOHKJSMJXBN-UHFFFAOYSA-N 0 3 292.335 2.252 20 5 CEBDHN O=[N+]([O-])c1ncccc1OCc1cccc2c1CCNC2 ZINC000596070558 345932577 /nfs/dbraw/zinc/93/25/77/345932577.db2.gz RMDGJGISUKQXKT-UHFFFAOYSA-N 0 3 285.303 2.215 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000596073572 345933265 /nfs/dbraw/zinc/93/32/65/345933265.db2.gz JICKHIOUPCZFQA-MNOVXSKESA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000596073572 345933271 /nfs/dbraw/zinc/93/32/71/345933271.db2.gz JICKHIOUPCZFQA-MNOVXSKESA-N 0 3 294.355 2.370 20 5 CEBDHN CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138333 345949344 /nfs/dbraw/zinc/94/93/44/345949344.db2.gz IRSIXALRSOVPJV-NSHDSACASA-N 0 3 294.355 2.006 20 5 CEBDHN CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138333 345949345 /nfs/dbraw/zinc/94/93/45/345949345.db2.gz IRSIXALRSOVPJV-NSHDSACASA-N 0 3 294.355 2.006 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(=O)n1C[C@@H]1CCCCN1C(C)C ZINC000596268974 345986388 /nfs/dbraw/zinc/98/63/88/345986388.db2.gz OWBZJXQLTTVGPI-ZDUSSCGKSA-N 0 3 293.367 2.328 20 5 CEBDHN CN(CC1CN(C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000596452705 346027495 /nfs/dbraw/zinc/02/74/95/346027495.db2.gz FNEDXECYQHFSLH-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000597047274 346120094 /nfs/dbraw/zinc/12/00/94/346120094.db2.gz PWUCLEQAWXCITA-JSGCOSHPSA-N 0 3 262.309 2.252 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000597252918 346162703 /nfs/dbraw/zinc/16/27/03/346162703.db2.gz CBRZEVVJIVUAQF-QPJJXVBHSA-N 0 3 276.336 2.455 20 5 CEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597926112 346254867 /nfs/dbraw/zinc/25/48/67/346254867.db2.gz VSTIELJGGFIJSY-JTQLQIEISA-N 0 3 297.380 2.259 20 5 CEBDHN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc([N+](=O)[O-])cc1 ZINC000598988376 346442519 /nfs/dbraw/zinc/44/25/19/346442519.db2.gz QSGAFWMQDUKVCS-SMDDNHRTSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCN2CC(F)F)cc1 ZINC000598987319 346442526 /nfs/dbraw/zinc/44/25/26/346442526.db2.gz KVJWAOQCERPXGY-CYBMUJFWSA-N 0 3 299.321 2.414 20 5 CEBDHN CC[C@H](NC[C@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066528 346455156 /nfs/dbraw/zinc/45/51/56/346455156.db2.gz RRYZWNXMKWQNSM-SOUVJXGZSA-N 0 3 294.351 2.175 20 5 CEBDHN CCOc1ccc([C@@H](C)NCC2COC2)cc1[N+](=O)[O-] ZINC000599083962 346457934 /nfs/dbraw/zinc/45/79/34/346457934.db2.gz YZDVFGOBAURWGG-SNVBAGLBSA-N 0 3 280.324 2.291 20 5 CEBDHN CN(CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000599094725 346459734 /nfs/dbraw/zinc/45/97/34/346459734.db2.gz LLBOAIRJIGACGM-GFCCVEGCSA-N 0 3 299.321 2.369 20 5 CEBDHN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599110235 346461282 /nfs/dbraw/zinc/46/12/82/346461282.db2.gz MJYZUOIGFFHBPA-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CO)c2ccccc2)cc1 ZINC000063002553 362740883 /nfs/dbraw/zinc/74/08/83/362740883.db2.gz MEJVWSJWDJKRRQ-INIZCTEOSA-N 0 3 286.331 2.461 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNCC[C@H]3CCOC3)nc2c1 ZINC000602606493 347098612 /nfs/dbraw/zinc/09/86/12/347098612.db2.gz FRGIROZWEJGMOR-JTQLQIEISA-N 0 3 291.307 2.252 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000599622432 346547004 /nfs/dbraw/zinc/54/70/04/346547004.db2.gz DDCGENSZXHUWOU-DEKYYXRVSA-N 0 3 264.325 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3CNCCO3)cc2)cn1 ZINC000600789933 346690813 /nfs/dbraw/zinc/69/08/13/346690813.db2.gz URLGKLWUXJFEBD-AWEZNQCLSA-N 0 3 285.303 2.318 20 5 CEBDHN CC[C@H](C)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149333 346769961 /nfs/dbraw/zinc/76/99/61/346769961.db2.gz LKIIVONGMIBVAG-FZMZJTMJSA-N 0 3 266.341 2.438 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CNCCC[C@@H]3CCO3)nc2c1 ZINC000602637187 347117522 /nfs/dbraw/zinc/11/75/22/347117522.db2.gz MKVYHNQSZQXKFV-LLVKDONJSA-N 0 3 290.323 2.130 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCF)CC2)cc1 ZINC000285250524 136665064 /nfs/dbraw/zinc/66/50/64/136665064.db2.gz RVZSWJVLECGHHY-UHFFFAOYSA-N 0 3 281.331 2.467 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602679479 347140934 /nfs/dbraw/zinc/14/09/34/347140934.db2.gz FLHDFMVJBGEFMD-SNVBAGLBSA-N 0 3 293.323 2.329 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]2CCC[C@H]21 ZINC000602787594 347197872 /nfs/dbraw/zinc/19/78/72/347197872.db2.gz ZOUXSJVIQGRVGQ-QWHCGFSZSA-N 0 3 278.356 2.364 20 5 CEBDHN C[C@@H]1CCC[C@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H]1C ZINC000602809314 347208029 /nfs/dbraw/zinc/20/80/29/347208029.db2.gz ATCIQBCTDUTDSN-FOGDFJRCSA-N 0 3 266.345 2.243 20 5 CEBDHN CC(C)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733054 347176902 /nfs/dbraw/zinc/17/69/02/347176902.db2.gz SATHIJDSGWDQRF-AWEZNQCLSA-N 0 3 266.341 2.438 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[C@@H]2O)cs1 ZINC000085978264 179208655 /nfs/dbraw/zinc/20/86/55/179208655.db2.gz OHECHIXXRFLPFW-QWRGUYRKSA-N 0 3 270.354 2.297 20 5 CEBDHN CC[C@@](C)(N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217829 347311938 /nfs/dbraw/zinc/31/19/38/347311938.db2.gz KNCZLSZEVSGOBL-IINYFYTJSA-N 0 3 289.339 2.380 20 5 CEBDHN CC1(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610488954 347684394 /nfs/dbraw/zinc/68/43/94/347684394.db2.gz BOUISWOZNXFWMT-UHFFFAOYSA-N 0 3 278.308 2.256 20 5 CEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610515280 347687954 /nfs/dbraw/zinc/68/79/54/347687954.db2.gz VLJOJMHJDBYTPF-UHFFFAOYSA-N 0 3 255.343 2.188 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CCC[C@H]32)c1 ZINC000610585343 347694099 /nfs/dbraw/zinc/69/40/99/347694099.db2.gz LFFZYBJBAOJSFG-SMDDNHRTSA-N 0 3 262.309 2.458 20 5 CEBDHN C[C@@H](N[C@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337421 347767481 /nfs/dbraw/zinc/76/74/81/347767481.db2.gz CGYMIXUSZWYCDI-MFKMUULPSA-N 0 3 264.325 2.406 20 5 CEBDHN CCn1cnnc1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000611335997 347767524 /nfs/dbraw/zinc/76/75/24/347767524.db2.gz GVMKJCWIFFVJKY-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN Cc1ccc(CN[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108212 347739682 /nfs/dbraw/zinc/73/96/82/347739682.db2.gz GZKXVVJEPRETSV-ZDUSSCGKSA-N 0 3 264.325 2.154 20 5 CEBDHN COCC1(N(C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611179078 347748709 /nfs/dbraw/zinc/74/87/09/347748709.db2.gz QTHOCMQJMBSXCA-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC=CCC1 ZINC000611517206 347789340 /nfs/dbraw/zinc/78/93/40/347789340.db2.gz INGLJNYGOYSRFI-UHFFFAOYSA-N 0 3 289.335 2.494 20 5 CEBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CN1 ZINC000086468326 179300087 /nfs/dbraw/zinc/30/00/87/179300087.db2.gz JYZMKSCTXNYKSP-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000612404360 347880494 /nfs/dbraw/zinc/88/04/94/347880494.db2.gz KGKRICYXEBFIGQ-GZBFAFLISA-N 0 3 276.336 2.106 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000351935812 219255388 /nfs/dbraw/zinc/25/53/88/219255388.db2.gz NTTOPIDOBPPQQV-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000273997352 192395259 /nfs/dbraw/zinc/39/52/59/192395259.db2.gz KKFHEUVZQGCLLD-WDEREUQCSA-N 0 3 280.324 2.272 20 5 CEBDHN COc1ccc(CN2C[C@H](C)N(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000339612961 215268943 /nfs/dbraw/zinc/26/89/43/215268943.db2.gz CHTXSNXDUZTXSK-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000619785405 349236930 /nfs/dbraw/zinc/23/69/30/349236930.db2.gz GLJATJFJCBTBSG-AWEZNQCLSA-N 0 3 264.325 2.248 20 5 CEBDHN CC(C)C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551375 180003105 /nfs/dbraw/zinc/00/31/05/180003105.db2.gz RVDOZVTWBWUEEM-CYBMUJFWSA-N 0 3 293.367 2.125 20 5 CEBDHN NC(=O)CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271264229 191036081 /nfs/dbraw/zinc/03/60/81/191036081.db2.gz VNDBLRUXMISQHS-UHFFFAOYSA-N 0 3 291.351 2.072 20 5 CEBDHN CCN1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000104953552 186033870 /nfs/dbraw/zinc/03/38/70/186033870.db2.gz IUMMQDSPAMKCEW-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN COc1cc(CN2CCC[C@@H](CO)CC2)ccc1[N+](=O)[O-] ZINC000339747450 215323142 /nfs/dbraw/zinc/32/31/42/215323142.db2.gz JZDHOEADUCWIGL-GFCCVEGCSA-N 0 3 294.351 2.198 20 5 CEBDHN CCN(C[C@H](C)O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204399 219360779 /nfs/dbraw/zinc/36/07/79/219360779.db2.gz XPUPIDHHLKBVAB-WDEREUQCSA-N 0 3 252.314 2.359 20 5 CEBDHN CSCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665172 363156129 /nfs/dbraw/zinc/15/61/29/363156129.db2.gz KOWDPKKDSUYSQL-NSHDSACASA-N 0 3 296.396 2.229 20 5 CEBDHN CC(C)NC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292050309 198145012 /nfs/dbraw/zinc/14/50/12/198145012.db2.gz BKTXXJJWKCKEKM-UHFFFAOYSA-N 0 3 293.367 2.334 20 5 CEBDHN COCC(C)(C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292173234 198190633 /nfs/dbraw/zinc/19/06/33/198190633.db2.gz PUEXBCFNKWHPHF-UHFFFAOYSA-N 0 3 282.340 2.460 20 5 CEBDHN Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000153541705 188088212 /nfs/dbraw/zinc/08/82/12/188088212.db2.gz GWAMCEAMRNBGRX-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000153889116 188109878 /nfs/dbraw/zinc/10/98/78/188109878.db2.gz GOQBRZOWIKUVHM-WDEREUQCSA-N 0 3 282.340 2.415 20 5 CEBDHN CC[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154435793 188142401 /nfs/dbraw/zinc/14/24/01/188142401.db2.gz YOGSLWUWKLUCLY-RISCZKNCSA-N 0 3 264.325 2.360 20 5 CEBDHN COCCOC[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000075953713 363499980 /nfs/dbraw/zinc/49/99/80/363499980.db2.gz NQVOVTGIUVXWPE-CYBMUJFWSA-N 0 3 294.351 2.080 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000134413226 366320031 /nfs/dbraw/zinc/32/00/31/366320031.db2.gz NINPHYWJMLDTTG-AWEZNQCLSA-N 0 3 296.367 2.312 20 5 CEBDHN CC(C)[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000134550062 366337071 /nfs/dbraw/zinc/33/70/71/366337071.db2.gz FPWNCXPDCRZXGR-CYBMUJFWSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@@]1(F)CNCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414770808 236473353 /nfs/dbraw/zinc/47/33/53/236473353.db2.gz PLKYYVCSHQVGFL-CSPWOOARSA-N 0 3 293.342 2.241 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418131054 237312248 /nfs/dbraw/zinc/31/22/48/237312248.db2.gz HIMIIQREUGBXFK-GFCCVEGCSA-N 0 3 299.321 2.332 20 5 CEBDHN C[C@@H](C(=O)NC(C)(C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000579322005 366626436 /nfs/dbraw/zinc/62/64/36/366626436.db2.gz BWTBAWGBXGCVBN-LLVKDONJSA-N 0 3 293.367 2.155 20 5 CEBDHN Cc1c([C@@H](C)N[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949605 366679712 /nfs/dbraw/zinc/67/97/12/366679712.db2.gz QJJLLQBSMPCADG-MWLCHTKSSA-N 0 3 252.314 2.325 20 5 CEBDHN COCC[C@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375291 189111661 /nfs/dbraw/zinc/11/16/61/189111661.db2.gz GIRCRGOVCHFTOZ-DOMZBBRYSA-N 0 3 296.367 2.341 20 5 CEBDHN COCCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178632399 189132621 /nfs/dbraw/zinc/13/26/21/189132621.db2.gz QGQIYSFMXAUWNB-LBPRGKRZSA-N 0 3 282.340 2.217 20 5 CEBDHN CC(C)[C@H](CO)CNCc1csc([N+](=O)[O-])c1 ZINC000342226813 216269086 /nfs/dbraw/zinc/26/90/86/216269086.db2.gz OGHNJDXRJYBJCE-JTQLQIEISA-N 0 3 258.343 2.010 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000180623571 189266279 /nfs/dbraw/zinc/26/62/79/189266279.db2.gz KDRXTHXKROQLGC-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000183252481 189352374 /nfs/dbraw/zinc/35/23/74/189352374.db2.gz DSDRJXMYFVTGNU-NNQSOWQGSA-N 0 3 276.336 2.391 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1sccc1[N+](=O)[O-] ZINC000302048696 201318470 /nfs/dbraw/zinc/31/84/70/201318470.db2.gz ZIPUFRYODHYCPN-SNVBAGLBSA-N 0 3 269.370 2.434 20 5 CEBDHN C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])N(C)C ZINC000084440091 363810947 /nfs/dbraw/zinc/81/09/47/363810947.db2.gz MBNBPYQGAJCIIS-VIFPVBQESA-N 0 3 271.748 2.288 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCc2c[nH]c3nccnc23)cc1 ZINC000356444299 370714024 /nfs/dbraw/zinc/71/40/24/370714024.db2.gz YBUSUTAREOXOIQ-UHFFFAOYSA-N 0 3 283.291 2.108 20 5 CEBDHN C[C@@H](CCCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000094942058 364309949 /nfs/dbraw/zinc/30/99/49/364309949.db2.gz KPRNKAUPBLXSPJ-QWRGUYRKSA-N 0 3 252.314 2.406 20 5 CEBDHN CCC(O)(CC)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000113310332 364887925 /nfs/dbraw/zinc/88/79/25/364887925.db2.gz JQPUCJPIQXDMPE-UHFFFAOYSA-N 0 3 282.340 2.244 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]2CCC[C@H]21 ZINC000245577713 370843448 /nfs/dbraw/zinc/84/34/48/370843448.db2.gz GVIZFGGQNBZOCA-TZMCWYRMSA-N 0 3 291.351 2.021 20 5 CEBDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163486277 367243747 /nfs/dbraw/zinc/24/37/47/367243747.db2.gz LLISDLAQLODBQN-FDMGOTLNSA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512818 367354705 /nfs/dbraw/zinc/35/47/05/367354705.db2.gz BCTSYEQMDGZFFD-JJQCHNSYSA-N 0 3 270.354 2.012 20 5 CEBDHN CC(C)c1ccc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346235068 368601336 /nfs/dbraw/zinc/60/13/36/368601336.db2.gz XLEBUQAZNAOVSH-LLVKDONJSA-N 0 3 293.367 2.398 20 5 CEBDHN COc1cc(CNC2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000184266092 368684403 /nfs/dbraw/zinc/68/44/03/368684403.db2.gz JLQMEXPTVRLXRQ-UHFFFAOYSA-N 0 3 298.314 2.137 20 5 CEBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000348329860 369006241 /nfs/dbraw/zinc/00/62/41/369006241.db2.gz ZHZZTDOXMKYORJ-UHFFFAOYSA-N 0 3 280.353 2.378 20 5 CEBDHN CC1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000186905426 369065954 /nfs/dbraw/zinc/06/59/54/369065954.db2.gz ILZKJNJYJXGGNI-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN CN1CCC(Cc2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000351152957 369614561 /nfs/dbraw/zinc/61/45/61/369614561.db2.gz XWTSEOZADDRVLM-UHFFFAOYSA-N 0 3 292.295 2.122 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C1CCCC1 ZINC000352706864 369847895 /nfs/dbraw/zinc/84/78/95/369847895.db2.gz PCFIZBNBPOXFGN-AWEZNQCLSA-N 0 3 294.351 2.244 20 5 CEBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000193501382 369949406 /nfs/dbraw/zinc/94/94/06/369949406.db2.gz GACFOIGIQHCUQO-QWHCGFSZSA-N 0 3 292.335 2.335 20 5 CEBDHN Cc1cc(CCNCc2ccccc2[N+](=O)[O-])on1 ZINC000353086854 370013389 /nfs/dbraw/zinc/01/33/89/370013389.db2.gz MPROJLNKTLEXIY-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN Cc1ccc(CNC[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353115753 370023879 /nfs/dbraw/zinc/02/38/79/370023879.db2.gz MEUYHMJXFOWDBI-CYBMUJFWSA-N 0 3 264.325 2.011 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000194632760 370060018 /nfs/dbraw/zinc/06/00/18/370060018.db2.gz DQNXTIRWIXQOJG-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccnc(NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000227116179 370360971 /nfs/dbraw/zinc/36/09/71/370360971.db2.gz UXJARFYREPHHLE-SNVBAGLBSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000226598856 370348608 /nfs/dbraw/zinc/34/86/08/370348608.db2.gz WONIJSKHFRHKHI-TVYUQYBPSA-N 0 3 264.325 2.405 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000228060519 370393835 /nfs/dbraw/zinc/39/38/35/370393835.db2.gz QLLZPXUGNJLWFB-ZOWXZIJZSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1c(CN[C@@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591468 370407749 /nfs/dbraw/zinc/40/77/49/370407749.db2.gz FATYDUDPFQLRBJ-KOLCDFICSA-N 0 3 252.314 2.010 20 5 CEBDHN CCC[C@@H](N[C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233296226 370518137 /nfs/dbraw/zinc/51/81/37/370518137.db2.gz LFISWJAEKICBCP-TZMCWYRMSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCN1CC=CCC1 ZINC000355527604 370587621 /nfs/dbraw/zinc/58/76/21/370587621.db2.gz GHLANAULZQTBPV-VURMDHGXSA-N 0 3 287.363 2.460 20 5 CEBDHN C[C@@H]1CCCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000358409872 371055132 /nfs/dbraw/zinc/05/51/32/371055132.db2.gz JKOMHBSZBFBOLM-LLVKDONJSA-N 0 3 291.351 2.458 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247160110 371072039 /nfs/dbraw/zinc/07/20/39/371072039.db2.gz ALFOTILTWYIXPF-BXUZGUMPSA-N 0 3 291.351 2.007 20 5 CEBDHN COc1cccc(N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000358654266 371157929 /nfs/dbraw/zinc/15/79/29/371157929.db2.gz SRQNRYJFBOADHD-QWRGUYRKSA-N 0 3 279.340 2.498 20 5 CEBDHN Cc1c([C@H](C)N[C@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000248502995 371203048 /nfs/dbraw/zinc/20/30/48/371203048.db2.gz UQPBCDLSYGIUIA-HGXZOFBTSA-N 0 3 284.381 2.321 20 5 CEBDHN Cc1ccc(CN2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361060604 371627235 /nfs/dbraw/zinc/62/72/35/371627235.db2.gz MRRZSSAFXMEUOE-ZDUSSCGKSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000267052774 372056461 /nfs/dbraw/zinc/05/64/61/372056461.db2.gz OFKHCBQAILAGLC-CYBMUJFWSA-N 0 3 273.336 2.354 20 5 CEBDHN CCN1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000344205622 217099553 /nfs/dbraw/zinc/09/95/53/217099553.db2.gz DGGJBFOLHZOAQQ-FZMZJTMJSA-N 0 3 293.367 2.033 20 5 CEBDHN COc1ccc(CNCC2=CCCOC2)cc1[N+](=O)[O-] ZINC000269304346 372414262 /nfs/dbraw/zinc/41/42/62/372414262.db2.gz TVMOERZCOJZUCY-UHFFFAOYSA-N 0 3 278.308 2.040 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000365908657 372952652 /nfs/dbraw/zinc/95/26/52/372952652.db2.gz PJAGYPVSUARLPT-GFCCVEGCSA-N 0 3 287.323 2.093 20 5 CEBDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272068298 373290757 /nfs/dbraw/zinc/29/07/57/373290757.db2.gz DWAQICWQZAFHBA-FZMZJTMJSA-N 0 3 293.367 2.358 20 5 CEBDHN CN(C)C(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000573621871 299446179 /nfs/dbraw/zinc/44/61/79/299446179.db2.gz PBWOWUXZZVJELA-UHFFFAOYSA-N 0 3 293.367 2.288 20 5 CEBDHN Cc1cnc(N[C@@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000272652817 373602591 /nfs/dbraw/zinc/60/25/91/373602591.db2.gz AVLMISLQEHEWAK-NSHDSACASA-N 0 3 276.340 2.361 20 5 CEBDHN CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000371000356 373770536 /nfs/dbraw/zinc/77/05/36/373770536.db2.gz VJBWJLBJNKARTC-CQSZACIVSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374541724 374595517 /nfs/dbraw/zinc/59/55/17/374595517.db2.gz PNXSECSAZSXYOF-CYBMUJFWSA-N 0 3 286.335 2.273 20 5 CEBDHN CCN(C)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000277993364 374701930 /nfs/dbraw/zinc/70/19/30/374701930.db2.gz NJSCLYOQWZVEKQ-UHFFFAOYSA-N 0 3 299.758 2.238 20 5 CEBDHN CN1CC=C(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278403330 374807024 /nfs/dbraw/zinc/80/70/24/374807024.db2.gz GXPVETMASWMMDI-UHFFFAOYSA-N 0 3 287.323 2.145 20 5 CEBDHN C[C@]1(O)CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000280046625 375073228 /nfs/dbraw/zinc/07/32/28/375073228.db2.gz LWGCNBULMJJDFM-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN CO[C@@H]([C@H](C)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388253974 321883204 /nfs/dbraw/zinc/88/32/04/321883204.db2.gz YNWPREJIFYHTKF-HZMBPMFUSA-N 0 3 264.325 2.498 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286428152 375950653 /nfs/dbraw/zinc/95/06/53/375950653.db2.gz IRGJOQMGMSNDMM-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C1=CCN(C)CC1 ZINC000289754881 376482517 /nfs/dbraw/zinc/48/25/17/376482517.db2.gz VBYMTWYVOANOMF-SNVBAGLBSA-N 0 3 293.371 2.182 20 5 CEBDHN COc1cc(CN(C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305814775 376502056 /nfs/dbraw/zinc/50/20/56/376502056.db2.gz JNUFIUFSZLQICG-TZMCWYRMSA-N 0 3 294.351 2.196 20 5 CEBDHN COc1cc(CN2CCC[C@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000305842147 376516540 /nfs/dbraw/zinc/51/65/40/376516540.db2.gz RKAXHACREKBHLT-AWEZNQCLSA-N 0 3 294.351 2.339 20 5 CEBDHN COC(C)(C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310916384 376644822 /nfs/dbraw/zinc/64/48/22/376644822.db2.gz GGTKIHLVPOFQEW-UHFFFAOYSA-N 0 3 256.277 2.249 20 5 CEBDHN C[C@@H](NC[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602387 376678318 /nfs/dbraw/zinc/67/83/18/376678318.db2.gz CVWUROPSTUSCJR-YGRLFVJLSA-N 0 3 264.325 2.406 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000565221570 377616012 /nfs/dbraw/zinc/61/60/12/377616012.db2.gz KCBDHNMHXNXUTD-UHFFFAOYSA-N 0 3 265.313 2.111 20 5 CEBDHN CC[C@@H](O)[C@@H](CC)NCc1cccc([N+](=O)[O-])c1 ZINC000313123530 249385488 /nfs/dbraw/zinc/38/54/88/249385488.db2.gz WIRZTCLUJCGJCO-CHWSQXEVSA-N 0 3 252.314 2.234 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000450282349 378339237 /nfs/dbraw/zinc/33/92/37/378339237.db2.gz HDNLRVOXZIZRTO-OAHLLOKOSA-N 0 3 294.351 2.221 20 5 CEBDHN C[C@H](O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450497907 378451000 /nfs/dbraw/zinc/45/10/00/378451000.db2.gz GYZJDSQOWSVEIS-NSHDSACASA-N 0 3 264.325 2.330 20 5 CEBDHN CC[C@H](CNc1ncccc1[N+](=O)[O-])N1CCCC1 ZINC000298483833 378740992 /nfs/dbraw/zinc/74/09/92/378740992.db2.gz VMTDLLZYCFXZMR-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CCN(C)C(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110179 378710312 /nfs/dbraw/zinc/71/03/12/378710312.db2.gz ZXNQWZOOWWNPDA-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN COC1([C@H](C)NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000453086446 378798084 /nfs/dbraw/zinc/79/80/84/378798084.db2.gz LGALGOUTKHYQCY-LBPRGKRZSA-N 0 3 294.351 2.269 20 5 CEBDHN CCN1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000453337664 378866463 /nfs/dbraw/zinc/86/64/63/378866463.db2.gz ZRIGWMVVYAPXHX-RYUDHWBXSA-N 0 3 291.351 2.175 20 5 CEBDHN CCCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278516423 194021926 /nfs/dbraw/zinc/02/19/26/194021926.db2.gz RYIGQXVMVRDDJT-UHFFFAOYSA-N 0 3 289.339 2.003 20 5 CEBDHN CCN(CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000299126482 378908904 /nfs/dbraw/zinc/90/89/04/378908904.db2.gz JLAQSJYMDUJCRU-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299143220 378915936 /nfs/dbraw/zinc/91/59/36/378915936.db2.gz MKYNWPMDSNAMHO-MNOVXSKESA-N 0 3 295.339 2.038 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](O)C2(CC2)C1 ZINC000347371263 218210066 /nfs/dbraw/zinc/21/00/66/218210066.db2.gz JQNYWFGQYZQJMR-CUXKMMBLSA-N 0 3 288.347 2.455 20 5 CEBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCN(C2CCCC2)C1 ZINC000301169754 379211181 /nfs/dbraw/zinc/21/11/81/379211181.db2.gz DGLRVHJDUSEIRP-NSHDSACASA-N 0 3 276.340 2.419 20 5 CEBDHN CC(C)N1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000517030488 379336291 /nfs/dbraw/zinc/33/62/91/379336291.db2.gz VIABUTPWIQPPPA-LLVKDONJSA-N 0 3 297.330 2.159 20 5 CEBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000266913264 190290243 /nfs/dbraw/zinc/29/02/43/190290243.db2.gz DVHPRUVCZOKFLA-JTQLQIEISA-N 0 3 291.351 2.314 20 5 CEBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000347664418 218312855 /nfs/dbraw/zinc/31/28/55/218312855.db2.gz DVLOMKNGIPIOFC-UHFFFAOYSA-N 0 3 278.308 2.170 20 5 CEBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000267115215 190304664 /nfs/dbraw/zinc/30/46/64/190304664.db2.gz YQXCFBHQFKZSNA-UHFFFAOYSA-N 0 3 274.324 2.316 20 5 CEBDHN COC[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897577 380288449 /nfs/dbraw/zinc/28/84/49/380288449.db2.gz KLLODYKJAMDSIF-WCQYABFASA-N 0 3 282.340 2.215 20 5 CEBDHN CCOc1cc(CN(C)CC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000492820686 380699639 /nfs/dbraw/zinc/69/96/39/380699639.db2.gz WONHODYGTYSKOM-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN COC[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659502 285240451 /nfs/dbraw/zinc/24/04/51/285240451.db2.gz HFRRIRCMJNFQGN-TVQRCGJNSA-N 0 3 279.340 2.253 20 5 CEBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015164121 394466611 /nfs/dbraw/zinc/46/66/11/394466611.db2.gz ZKNRVLBAZASQTI-NSHDSACASA-N 0 3 294.311 2.399 20 5 CEBDHN CC1(C)CCCN[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000232956303 394481223 /nfs/dbraw/zinc/48/12/23/394481223.db2.gz WBDHKMHNEHRVTN-LBPRGKRZSA-N 0 3 277.324 2.312 20 5 CEBDHN CON1CCC(NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000421400826 394524449 /nfs/dbraw/zinc/52/44/49/394524449.db2.gz SLDYNHGARARCMK-UHFFFAOYSA-N 0 3 279.340 2.019 20 5 CEBDHN C[C@@H](O)CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075781037 394612811 /nfs/dbraw/zinc/61/28/11/394612811.db2.gz VHJWBFMZWPBBIA-MNOVXSKESA-N 0 3 252.314 2.359 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000356853622 394631608 /nfs/dbraw/zinc/63/16/08/394631608.db2.gz SJVPJBLCDAHOSC-WCQYABFASA-N 0 3 264.325 2.500 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@H](C)[C@H]1C ZINC000357041637 394690394 /nfs/dbraw/zinc/69/03/94/394690394.db2.gz PEUFHTWYQWPOGE-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150618 394911036 /nfs/dbraw/zinc/91/10/36/394911036.db2.gz CRJFBAMCXZNDGM-GIGQVBGESA-N 0 3 282.365 2.157 20 5 CEBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000423834275 394997945 /nfs/dbraw/zinc/99/79/45/394997945.db2.gz CLZOSMOBLRODEX-UHFFFAOYSA-N 0 3 297.742 2.136 20 5 CEBDHN C[C@H](N[C@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000345055344 395062148 /nfs/dbraw/zinc/06/21/48/395062148.db2.gz YQKGEWCTNXFIKS-GVXVVHGQSA-N 0 3 262.309 2.182 20 5 CEBDHN C[C@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCCN1C ZINC000343455508 395039116 /nfs/dbraw/zinc/03/91/16/395039116.db2.gz JDTSJYKZOIWQFY-DTWKUNHWSA-N 0 3 295.368 2.199 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC1CC(C)C1 ZINC000158292366 395042522 /nfs/dbraw/zinc/04/25/22/395042522.db2.gz XASKCWMTIHNTPV-UHFFFAOYSA-N 0 3 250.298 2.492 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCN3C[C@H]2C)n1 ZINC000408172153 395293308 /nfs/dbraw/zinc/29/33/08/395293308.db2.gz SJYYCRSIZQEYSQ-CHWSQXEVSA-N 0 3 290.367 2.280 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCCN1C ZINC000420628608 395393418 /nfs/dbraw/zinc/39/34/18/395393418.db2.gz BGGZAVIXMWNYPZ-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)c1 ZINC000420635227 395395911 /nfs/dbraw/zinc/39/59/11/395395911.db2.gz LOBWEWWWGQONQI-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCOC1 ZINC000568107703 395548972 /nfs/dbraw/zinc/54/89/72/395548972.db2.gz WAHZIYPTMYFQLR-MFKMUULPSA-N 0 3 262.309 2.351 20 5 CEBDHN CCN(CC)[C@H](C)CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000359897055 155162432 /nfs/dbraw/zinc/16/24/32/155162432.db2.gz IAZXKNKYQJVJKE-SNVBAGLBSA-N 0 3 291.355 2.035 20 5 CEBDHN CCCN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000226771428 153338659 /nfs/dbraw/zinc/33/86/59/153338659.db2.gz IMKYWSPGOAIWIV-UHFFFAOYSA-N 0 3 270.358 2.338 20 5 CEBDHN CN1CC[C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375023674 157040387 /nfs/dbraw/zinc/04/03/87/157040387.db2.gz VHAZRUQMBBKQGH-IAQYHMDHSA-N 0 3 293.342 2.260 20 5 CEBDHN CCCO[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236701 165159667 /nfs/dbraw/zinc/15/96/67/165159667.db2.gz ZMOLKQGZORRODR-ZDUSSCGKSA-N 0 3 296.371 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCCC2)c1 ZINC000035368187 172159716 /nfs/dbraw/zinc/15/97/16/172159716.db2.gz XHEPOYZJUVNOJM-UHFFFAOYSA-N 0 3 283.759 2.434 20 5 CEBDHN CO[C@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000285720750 196378105 /nfs/dbraw/zinc/37/81/05/196378105.db2.gz PJWWHMWNUNRWMA-SNVBAGLBSA-N 0 3 252.314 2.370 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCOC1 ZINC000038044395 174052339 /nfs/dbraw/zinc/05/23/39/174052339.db2.gz LQMRHBYFMIRRHD-LLVKDONJSA-N 0 3 250.298 2.111 20 5 CEBDHN O=[N+]([O-])c1cccnc1NCCN1CCCCCC1 ZINC000040433122 174260792 /nfs/dbraw/zinc/26/07/92/174260792.db2.gz NFCHKTCOQLANCI-UHFFFAOYSA-N 0 3 264.329 2.278 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2ccc(CO)o2)cc1 ZINC000077897951 177308256 /nfs/dbraw/zinc/30/82/56/177308256.db2.gz FBMQOTHEQQLGTO-UHFFFAOYSA-N 0 3 276.292 2.012 20 5 CEBDHN COCCCN(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000078372808 177335764 /nfs/dbraw/zinc/33/57/64/177335764.db2.gz BSMSHFIYIXJUDY-UHFFFAOYSA-N 0 3 285.319 2.114 20 5 CEBDHN Cc1ccc(CN2CC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425977203 264249232 /nfs/dbraw/zinc/24/92/32/264249232.db2.gz JSYUFSLAXRQHFF-WCQYABFASA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](CCCCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000398646356 270360422 /nfs/dbraw/zinc/36/04/22/270360422.db2.gz ZWVPALPFRWKVJZ-SNVBAGLBSA-N 0 3 270.304 2.375 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCNC[C@@](C)(F)C1 ZINC000420328046 270518731 /nfs/dbraw/zinc/51/87/31/270518731.db2.gz HALWOWMPBYTMAJ-SMDDNHRTSA-N 0 3 281.331 2.289 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@]1(C)CCO[C@H]1C ZINC000430232994 271365815 /nfs/dbraw/zinc/36/58/15/271365815.db2.gz JBLMEGNQTDZPTG-IINYFYTJSA-N 0 3 280.324 2.261 20 5 CEBDHN COCCN(CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000339160324 274024758 /nfs/dbraw/zinc/02/47/58/274024758.db2.gz VDVMELPRMDXUQP-UHFFFAOYSA-N 0 3 264.325 2.248 20 5 CEBDHN O=C(Nc1cccc2c1CNCC2)c1ccc([N+](=O)[O-])o1 ZINC000167383061 274999309 /nfs/dbraw/zinc/99/93/09/274999309.db2.gz VGHQWXRIZZDSHH-UHFFFAOYSA-N 0 3 287.275 2.086 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291332184 276349978 /nfs/dbraw/zinc/34/99/78/276349978.db2.gz VWWYPLJSFFRBLE-LBPRGKRZSA-N 0 3 282.340 2.330 20 5 CEBDHN CNC(=O)[C@@]1(C)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345447 277010991 /nfs/dbraw/zinc/01/09/91/277010991.db2.gz ZLQFHRNQHRJDSQ-ABAIWWIYSA-N 0 3 291.351 2.114 20 5 CEBDHN CN1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000375034505 277147208 /nfs/dbraw/zinc/14/72/08/277147208.db2.gz ARJCYQPIQUTOIN-MFKMUULPSA-N 0 3 279.315 2.264 20 5 CEBDHN COc1ccc(CN[C@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396685731 280675489 /nfs/dbraw/zinc/67/54/89/280675489.db2.gz ZKZJJXOHDOZLCV-LLVKDONJSA-N 0 3 280.324 2.261 20 5 CEBDHN CCC[C@H](NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530419 281063586 /nfs/dbraw/zinc/06/35/86/281063586.db2.gz WRLQNCDUZGHOJK-GJZGRUSLSA-N 0 3 293.367 2.014 20 5 CEBDHN CCO[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000459651810 290205127 /nfs/dbraw/zinc/20/51/27/290205127.db2.gz VVHOYLNMFLBOLQ-TXEJJXNPSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(O)CCC1 ZINC000531714843 298117129 /nfs/dbraw/zinc/11/71/29/298117129.db2.gz WZLCNVZZQKFJCU-NSHDSACASA-N 0 3 264.325 2.469 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)Cc2ccco2)cs1 ZINC000538420011 298228116 /nfs/dbraw/zinc/22/81/16/298228116.db2.gz FIDBUSIGIFFYAG-SNVBAGLBSA-N 0 3 296.348 2.190 20 5 CEBDHN CCc1nncn1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000546678987 298357446 /nfs/dbraw/zinc/35/74/46/298357446.db2.gz VCQCMHMEZPGJKX-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN COCC[C@@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699066 314507215 /nfs/dbraw/zinc/50/72/15/314507215.db2.gz IBVSITVJIMECPF-IUODEOHRSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@@H](C)C1 ZINC000560689685 327336771 /nfs/dbraw/zinc/33/67/71/327336771.db2.gz ZVFCYCIDTXGODE-GHMZBOCLSA-N 0 3 266.345 2.078 20 5 CEBDHN COc1cc(C[NH2+]C[C@H]2CC23CC3)c([N+](=O)[O-])cc1[O-] ZINC000418098818 533882668 /nfs/dbraw/zinc/88/26/68/533882668.db2.gz PAKYREDZEIRPAY-SNVBAGLBSA-N 0 3 278.308 2.199 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000264404762 534332496 /nfs/dbraw/zinc/33/24/96/534332496.db2.gz KJODQDDWFVJATN-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CN(C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000145991630 521792230 /nfs/dbraw/zinc/79/22/30/521792230.db2.gz JZUZTMKCFUZJEY-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN CC[C@H](CO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443399 522227976 /nfs/dbraw/zinc/22/79/76/522227976.db2.gz QPMCADGSFPPRAN-SNVBAGLBSA-N 0 3 258.705 2.109 20 5 CEBDHN Cc1ccc(CNC(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000161118133 524571219 /nfs/dbraw/zinc/57/12/19/524571219.db2.gz DRDRPZINUYKEOE-SNVBAGLBSA-N 0 3 252.314 2.152 20 5 CEBDHN C[C@@H]1C[C@@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750082019 575246223 /nfs/dbraw/zinc/24/62/23/575246223.db2.gz QAGAEXBOBDOTSZ-JTNHKYCSSA-N 0 3 264.325 2.359 20 5 CEBDHN C[C@H]1CCCN1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000742425876 575021229 /nfs/dbraw/zinc/02/12/29/575021229.db2.gz PINZYKCXJBMOQG-JTQLQIEISA-N 0 3 294.311 2.399 20 5 CEBDHN C[C@H](NCCCN1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000746046588 575147400 /nfs/dbraw/zinc/14/74/00/575147400.db2.gz AOHXVCFAODALBF-NSHDSACASA-N 0 3 293.323 2.088 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813109750 623041849 /nfs/dbraw/zinc/04/18/49/623041849.db2.gz VXZLVQTXVPRYHV-VIFPVBQESA-N 0 3 269.272 2.312 20 5 CEBDHN CC(COC(=O)[C@@H](c1ccccc1)C1CC1)[N+](=O)[O-] ZINC000813115460 623081848 /nfs/dbraw/zinc/08/18/48/623081848.db2.gz SRTCNTGFTFWNRF-MFKMUULPSA-N 0 3 263.293 2.389 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1OC ZINC000050373617 623401813 /nfs/dbraw/zinc/40/18/13/623401813.db2.gz UQOZTHIXOFJGKO-JSGCOSHPSA-N 0 3 280.324 2.261 20 5 CEBDHN C[C@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000235652887 625693358 /nfs/dbraw/zinc/69/33/58/625693358.db2.gz DWWQSYYWRGZRDP-RNCFNFMXSA-N 0 3 268.288 2.391 20 5 CEBDHN CC(COC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1)[N+](=O)[O-] ZINC000893048231 627968610 /nfs/dbraw/zinc/96/86/10/627968610.db2.gz SYKFUSIOXCZBHS-JKOKRWQUSA-N 0 3 281.283 2.265 20 5 CEBDHN COc1ccc2c(c1)CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000893048548 627968957 /nfs/dbraw/zinc/96/89/57/627968957.db2.gz XVMVMGZQGYVJOO-GXFFZTMASA-N 0 3 293.319 2.009 20 5 CEBDHN COC(=O)C1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893694470 628928232 /nfs/dbraw/zinc/92/82/32/628928232.db2.gz VHRREOVGUOTFJH-UHFFFAOYSA-N 0 3 298.726 2.291 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2CS[C@H](C)C2)c1[N+](=O)[O-] ZINC000894904655 629745732 /nfs/dbraw/zinc/74/57/32/629745732.db2.gz UZBQTLOKBATIRI-SCZZXKLOSA-N 0 3 298.364 2.293 20 5 CEBDHN CC(C)O[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000797282034 630202406 /nfs/dbraw/zinc/20/24/06/630202406.db2.gz RVZWWMGSFPHOOQ-YPMHNXCESA-N 0 3 281.308 2.361 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785206 630344213 /nfs/dbraw/zinc/34/42/13/630344213.db2.gz RTZLZVDSFJFWJQ-GBPMWZCISA-N 0 3 288.347 2.311 20 5 CEBDHN C[C@@H](CNCc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000897469076 631536333 /nfs/dbraw/zinc/53/63/33/631536333.db2.gz CSHRTDSHQYFEQE-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@@H](CNCc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000897470111 631538046 /nfs/dbraw/zinc/53/80/46/631538046.db2.gz YJIVDAKJAKYQQH-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](C)[C@H](O)C1 ZINC000897676316 631861371 /nfs/dbraw/zinc/86/13/71/631861371.db2.gz KSVVCBZGHAPWTC-QMTHXVAHSA-N 0 3 264.325 2.024 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCc2ccc(CCO)cc2)c1 ZINC000898172428 632079938 /nfs/dbraw/zinc/07/99/38/632079938.db2.gz HXHVPOCKGPJLJE-UHFFFAOYSA-N 0 3 286.331 2.419 20 5 CEBDHN CC(COC(=O)CCc1cc(F)ccc1F)[N+](=O)[O-] ZINC000813101945 632622003 /nfs/dbraw/zinc/62/20/03/632622003.db2.gz LRIBMXVLSORHRZ-MRVPVSSYSA-N 0 3 273.235 2.106 20 5 CEBDHN Cc1nc(CC(C)C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813107508 632624880 /nfs/dbraw/zinc/62/48/80/632624880.db2.gz RQBFDVPOKSDJIE-MRVPVSSYSA-N 0 3 286.353 2.472 20 5 CEBDHN CC(COC(=O)[C@@]1(C)CCc2ccccc2C1)[N+](=O)[O-] ZINC000813107568 632624983 /nfs/dbraw/zinc/62/49/83/632624983.db2.gz TZYFRZOEESIJPN-ABAIWWIYSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)c1cccc(F)c1Cl)[N+](=O)[O-] ZINC000813108632 632625486 /nfs/dbraw/zinc/62/54/86/632625486.db2.gz IXZHGWYXUZOGMU-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN CC(COC(=O)c1cn(C)nc1C1CCCCC1)[N+](=O)[O-] ZINC000813108235 632625747 /nfs/dbraw/zinc/62/57/47/632625747.db2.gz WIXAYVASVAOQCC-JTQLQIEISA-N 0 3 295.339 2.290 20 5 CEBDHN CC(COC(=O)c1ccc(OC2CCCC2)nc1)[N+](=O)[O-] ZINC000813112811 632628209 /nfs/dbraw/zinc/62/82/09/632628209.db2.gz LQILXJXVFJHWCE-SNVBAGLBSA-N 0 3 294.307 2.225 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000813113771 632628769 /nfs/dbraw/zinc/62/87/69/632628769.db2.gz VCGHYRGDFCYUOZ-UJICNMFASA-N 0 3 294.263 2.207 20 5 CEBDHN C[C@H](N[C@H]1CCN(C)[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302221 635049426 /nfs/dbraw/zinc/04/94/26/635049426.db2.gz XGUVFAOGGSZUTJ-UMNHJUIQSA-N 0 3 281.331 2.477 20 5 CEBDHN O=[N+]([O-])CCNCCc1cccc(OCC(F)(F)F)c1 ZINC000905247458 636171981 /nfs/dbraw/zinc/17/19/81/636171981.db2.gz KIPZOKAPPYWIJP-UHFFFAOYSA-N 0 3 292.257 2.037 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2cccc(F)c2)CCC1 ZINC000905567011 636328543 /nfs/dbraw/zinc/32/85/43/636328543.db2.gz WSMAVGGUGDIECD-UHFFFAOYSA-N 0 3 252.289 2.114 20 5 CEBDHN CS[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889279 637190754 /nfs/dbraw/zinc/19/07/54/637190754.db2.gz NCNTUTMXKMBEBD-OLZOCXBDSA-N 0 3 282.365 2.066 20 5 CEBDHN C[C@H](NC1CCS(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000157920050 639550033 /nfs/dbraw/zinc/55/00/33/639550033.db2.gz JSIBNASJQDKVEQ-LAXVZRPASA-N 0 3 282.365 2.157 20 5 CEBDHN Cn1ccc(CCNCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000230880860 639798173 /nfs/dbraw/zinc/79/81/73/639798173.db2.gz DAUOQACLSSLRTG-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN COCCCN(CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877462833 650730892 /nfs/dbraw/zinc/73/08/92/650730892.db2.gz VWANJCRKWJHSLM-UHFFFAOYSA-N 0 3 296.367 2.042 20 5 CEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2n1 ZINC000851037408 642890529 /nfs/dbraw/zinc/89/05/29/642890529.db2.gz VBJAJOYFQZZJLM-SECBINFHSA-N 0 3 290.275 2.065 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000922511972 643101427 /nfs/dbraw/zinc/10/14/27/643101427.db2.gz PVQXOUKMLZVBGP-KXGXSXBTSA-N 0 3 292.335 2.443 20 5 CEBDHN Cc1c(CNCCOC2CCOCC2)cccc1[N+](=O)[O-] ZINC000922928353 643459492 /nfs/dbraw/zinc/45/94/92/643459492.db2.gz OOOCMMRWMVIPOR-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1ccc(NCCNCc2cccc([N+](=O)[O-])c2)nc1 ZINC000922934898 643463516 /nfs/dbraw/zinc/46/35/16/643463516.db2.gz RPTVYHQIIRGUMF-UHFFFAOYSA-N 0 3 286.335 2.500 20 5 CEBDHN COC(=O)C[C@@](C)(NCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000877707388 650863501 /nfs/dbraw/zinc/86/35/01/650863501.db2.gz RTPSOUUUDXUEPZ-CYBMUJFWSA-N 0 3 298.364 2.478 20 5 CEBDHN CON1CCC(N(C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000839131411 644168320 /nfs/dbraw/zinc/16/83/20/644168320.db2.gz JZGZCTPSTSOJTA-UHFFFAOYSA-N 0 3 297.330 2.192 20 5 CEBDHN CO[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000877827567 650924033 /nfs/dbraw/zinc/92/40/33/650924033.db2.gz CBILISHKIUSSAI-HUBLWGQQSA-N 0 3 294.351 2.297 20 5 CEBDHN CCOc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776397 645901601 /nfs/dbraw/zinc/90/16/01/645901601.db2.gz DYBFVZLYWYMMQK-LLVKDONJSA-N 0 3 281.308 2.226 20 5 CEBDHN COC(=O)C1=CC[C@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000862464911 646468907 /nfs/dbraw/zinc/46/89/07/646468907.db2.gz BIJPDAQLOPZQSY-ZDUSSCGKSA-N 0 3 290.319 2.255 20 5 CEBDHN COC(=O)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783677741 647747634 /nfs/dbraw/zinc/74/76/34/647747634.db2.gz RMHDUPAYXLYUMI-UHFFFAOYSA-N 0 3 298.726 2.291 20 5 CEBDHN CC(COC(=O)c1c(C(F)F)nc2ccccn21)[N+](=O)[O-] ZINC000870376754 648789600 /nfs/dbraw/zinc/78/96/00/648789600.db2.gz MFVPFMZCIUNNLF-SSDOTTSWSA-N 0 3 299.233 2.094 20 5 CEBDHN C[C@H](N[C@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024603 649244618 /nfs/dbraw/zinc/24/46/18/649244618.db2.gz UHVDNEMZPPKSCD-QWRGUYRKSA-N 0 3 281.331 2.479 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CC(N)=O ZINC000872043680 649252823 /nfs/dbraw/zinc/25/28/23/649252823.db2.gz KJMULVUASBUPQK-IUCAKERBSA-N 0 3 297.380 2.231 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000872218788 649319769 /nfs/dbraw/zinc/31/97/69/649319769.db2.gz NSWBOMBQKABWQZ-BFHYXJOUSA-N 0 3 282.315 2.499 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000872219488 649320171 /nfs/dbraw/zinc/32/01/71/649320171.db2.gz SKMSSAXCRKROBQ-MJBXVCDLSA-N 0 3 282.315 2.499 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(C)(C)O)C1 ZINC000880148919 651393241 /nfs/dbraw/zinc/39/32/41/651393241.db2.gz PUSYCOMLCCENAI-GFCCVEGCSA-N 0 3 294.351 2.196 20 5 CEBDHN COc1ccc(OCCN2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880292994 651416566 /nfs/dbraw/zinc/41/65/66/651416566.db2.gz CBBHVGPHOBKINF-NSHDSACASA-N 0 3 298.314 2.274 20 5 CEBDHN CO[C@@H]1COCC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429192 651439141 /nfs/dbraw/zinc/43/91/41/651439141.db2.gz UYVLEZYCBCIDRN-LSDHHAIUSA-N 0 3 294.351 2.139 20 5 CEBDHN CC(=O)c1c(N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000882198270 651997310 /nfs/dbraw/zinc/99/73/10/651997310.db2.gz RTOVGGAYOSXBFD-UHFFFAOYSA-N 0 3 291.351 2.328 20 5 CEBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000716016551 815014714 /nfs/dbraw/zinc/01/47/14/815014714.db2.gz CTJPBGLPYVYTNK-JOYOIKCWSA-N 0 3 293.348 2.436 20 5 CEBDHN C[C@H]1COC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000699794300 807849125 /nfs/dbraw/zinc/84/91/25/807849125.db2.gz YMPGPCIHVYMPCT-KWQFWETISA-N 0 3 270.716 2.373 20 5 CEBDHN NCc1cn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC001162302285 809301369 /nfs/dbraw/zinc/30/13/69/809301369.db2.gz NPLHUUSAAOQCCN-UHFFFAOYSA-N 0 3 286.213 2.258 20 5 CEBDHN COc1ccc(CNCCOC2CCC2)cc1[N+](=O)[O-] ZINC000709198304 809958014 /nfs/dbraw/zinc/95/80/14/809958014.db2.gz UQEUAKHCKNGIJO-UHFFFAOYSA-N 0 3 280.324 2.262 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2nc3ccccc3o2)C1 ZINC001168959143 811314624 /nfs/dbraw/zinc/31/46/24/811314624.db2.gz UADSLITXLUIWHO-WDEREUQCSA-N 0 3 275.308 2.363 20 5 CEBDHN C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC001169232038 811446323 /nfs/dbraw/zinc/44/63/23/811446323.db2.gz ZIJAZMAKGLFZRI-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000712543061 814765137 /nfs/dbraw/zinc/76/51/37/814765137.db2.gz NEVSEKCJRTWTOS-LLVKDONJSA-N 0 3 265.313 2.110 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC(C)(C)C ZINC000449070754 282087998 /nfs/dbraw/zinc/08/79/98/282087998.db2.gz FIGFTLWULTWDRI-LLVKDONJSA-N 0 3 293.367 2.030 20 5 CEBDHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601289891 346813760 /nfs/dbraw/zinc/81/37/60/346813760.db2.gz VVIHSXNBNHWZKH-JBLDHEPKSA-N 0 3 250.298 2.016 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC[C@@H](O)C(F)F ZINC000601298717 346815078 /nfs/dbraw/zinc/81/50/78/346815078.db2.gz JKPMFSJJJOEDBP-ZYHUDNBSSA-N 0 3 286.278 2.188 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)(F)F ZINC000449092962 282097366 /nfs/dbraw/zinc/09/73/66/282097366.db2.gz NJLIAWUJKRRHGD-LDYMZIIASA-N 0 3 292.257 2.039 20 5 CEBDHN Cc1ccc(CNCCN2CCCC2)cc1[N+](=O)[O-] ZINC000035013041 361803883 /nfs/dbraw/zinc/80/38/83/361803883.db2.gz QDNWTWYZDSPEMA-UHFFFAOYSA-N 0 3 263.341 2.089 20 5 CEBDHN CC(C)(CO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000122071945 365625267 /nfs/dbraw/zinc/62/52/67/365625267.db2.gz CGWBISNWCWVWTP-UHFFFAOYSA-N 0 3 272.732 2.356 20 5 CEBDHN Cc1c(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449205303 282141290 /nfs/dbraw/zinc/14/12/90/282141290.db2.gz NYKIZZQDEHVYMV-NSHDSACASA-N 0 3 288.351 2.358 20 5 CEBDHN Cc1ccc([C@H](C)NCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037751760 361928637 /nfs/dbraw/zinc/92/86/37/361928637.db2.gz ANRAAQMQDRQAQG-NSHDSACASA-N 0 3 279.340 2.032 20 5 CEBDHN CC[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414528251 529632807 /nfs/dbraw/zinc/63/28/07/529632807.db2.gz NXZAVSPLFGBZSK-JSGCOSHPSA-N 0 3 266.341 2.480 20 5 CEBDHN CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000042588954 362104955 /nfs/dbraw/zinc/10/49/55/362104955.db2.gz OYNAHPFZQSZCBU-AWEZNQCLSA-N 0 3 293.367 2.301 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126365212 187235179 /nfs/dbraw/zinc/23/51/79/187235179.db2.gz YGLUHRSVFGLKDR-ZDUSSCGKSA-N 0 3 250.298 2.109 20 5 CEBDHN C[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1cccc([N+](=O)[O-])c1 ZINC000126504140 187244525 /nfs/dbraw/zinc/24/45/25/187244525.db2.gz BDXRYBJYZSDKDK-UHIISALHSA-N 0 3 291.351 2.160 20 5 CEBDHN CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449493570 282257069 /nfs/dbraw/zinc/25/70/69/282257069.db2.gz FDINYSBHTRBAGD-RISCZKNCSA-N 0 3 264.325 2.452 20 5 CEBDHN CC(C)[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030149895 343403391 /nfs/dbraw/zinc/40/33/91/343403391.db2.gz QCVNNANHWIMSRG-SNVBAGLBSA-N 0 3 279.340 2.170 20 5 CEBDHN CCCCN(CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000048347043 362259779 /nfs/dbraw/zinc/25/97/79/362259779.db2.gz KNIHGUPZFRHPHU-UHFFFAOYSA-N 0 3 266.341 2.498 20 5 CEBDHN C[C@@H](NCC1(CO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090661286 344142487 /nfs/dbraw/zinc/14/24/87/344142487.db2.gz YDCCLVCVRQNNJM-GFCCVEGCSA-N 0 3 294.351 2.035 20 5 CEBDHN Cc1ccc(CN(C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000093481338 344224758 /nfs/dbraw/zinc/22/47/58/344224758.db2.gz NWBMVMNGTPANHM-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@H](C)O ZINC000119046197 344293416 /nfs/dbraw/zinc/29/34/16/344293416.db2.gz AHGWRFVDTFIZNG-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN COc1cccc(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000134914118 344378660 /nfs/dbraw/zinc/37/86/60/344378660.db2.gz XHEHMWZWMJHHFZ-NSHDSACASA-N 0 3 279.340 2.357 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229955876 344569477 /nfs/dbraw/zinc/56/94/77/344569477.db2.gz WALGWZDXKQQNJT-NSHDSACASA-N 0 3 275.312 2.035 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229965009 344569784 /nfs/dbraw/zinc/56/97/84/344569784.db2.gz HBRHVHRCQRFSCC-GFCCVEGCSA-N 0 3 275.312 2.035 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC1(CO)CCCCC1 ZINC000053097390 362481677 /nfs/dbraw/zinc/48/16/77/362481677.db2.gz OBCUIWMODGDIKM-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN CN(CCNc1c(Cl)cncc1[N+](=O)[O-])C1CC1 ZINC000306100498 344711860 /nfs/dbraw/zinc/71/18/60/344711860.db2.gz PBUQMZGKDFUQIM-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN CN1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000590011362 345110285 /nfs/dbraw/zinc/11/02/85/345110285.db2.gz INMSSCAQKZWFCI-RISCZKNCSA-N 0 3 295.770 2.384 20 5 CEBDHN C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590656291 345155796 /nfs/dbraw/zinc/15/57/96/345155796.db2.gz GAOXSVPLBYNONF-VIFPVBQESA-N 0 3 278.308 2.254 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000591147468 345225185 /nfs/dbraw/zinc/22/51/85/345225185.db2.gz CODBXWCVKFJCTK-MFKMUULPSA-N 0 3 296.346 2.295 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCNC1=O ZINC000591243840 345233989 /nfs/dbraw/zinc/23/39/89/345233989.db2.gz BSMCEZPKYDTASC-NEPJUHHUSA-N 0 3 291.351 2.080 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1C[C@@H](O)C1 ZINC000591473608 345260943 /nfs/dbraw/zinc/26/09/43/345260943.db2.gz IZLABVSGZHLTKR-COPLHBTASA-N 0 3 264.325 2.359 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595105755 345742870 /nfs/dbraw/zinc/74/28/70/345742870.db2.gz XZGUTXNORIATKB-DLOVCJGASA-N 0 3 280.324 2.167 20 5 CEBDHN CC[C@@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917037 345700857 /nfs/dbraw/zinc/70/08/57/345700857.db2.gz FYIKOZGVMALAHV-NWDGAFQWSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1cncc(CCNCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000594993823 345723311 /nfs/dbraw/zinc/72/33/11/345723311.db2.gz HIUIZLFPDYUWMM-UHFFFAOYSA-N 0 3 290.298 2.165 20 5 CEBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)O ZINC000595041486 345733323 /nfs/dbraw/zinc/73/33/23/345733323.db2.gz MCWVZNRJPYGCAL-KWBADKCTSA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[C@H](C)O ZINC000595044934 345734012 /nfs/dbraw/zinc/73/40/12/345734012.db2.gz ALSOEMNLWKOBLK-QWRGUYRKSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC[C@H]1O ZINC000595050100 345734970 /nfs/dbraw/zinc/73/49/70/345734970.db2.gz GJFVFFUEHZHUFR-UHIISALHSA-N 0 3 294.351 2.415 20 5 CEBDHN Cc1c([C@H](C)NC/C=C/CO)cccc1[N+](=O)[O-] ZINC000595067639 345738621 /nfs/dbraw/zinc/73/86/21/345738621.db2.gz HGLZMFKUEBQEFD-UFFNRZRYSA-N 0 3 250.298 2.102 20 5 CEBDHN C[C@H]1[C@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000595407843 345776020 /nfs/dbraw/zinc/77/60/20/345776020.db2.gz HJHWAAMEDSOYRJ-QWRGUYRKSA-N 0 3 281.331 2.258 20 5 CEBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456512 345787506 /nfs/dbraw/zinc/78/75/06/345787506.db2.gz YZPLZQRVHLSCAX-NOZJJQNGSA-N 0 3 268.288 2.391 20 5 CEBDHN Cc1cc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000596277171 345989673 /nfs/dbraw/zinc/98/96/73/345989673.db2.gz AWOGCQMSPKXOBY-JTQLQIEISA-N 0 3 269.370 2.495 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596480772 346034244 /nfs/dbraw/zinc/03/42/44/346034244.db2.gz IYMWVZUAHZBOSL-GFCCVEGCSA-N 0 3 292.339 2.201 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(COC2)C1 ZINC000597229289 346155003 /nfs/dbraw/zinc/15/50/03/346155003.db2.gz KRTKMHOIAJIUIS-UHFFFAOYSA-N 0 3 262.309 2.126 20 5 CEBDHN CC1(C)OC[C@H]2C[C@]21NCc1ccc([N+](=O)[O-])cc1 ZINC000598988375 346442490 /nfs/dbraw/zinc/44/24/90/346442490.db2.gz QSGAFWMQDUKVCS-RISCZKNCSA-N 0 3 262.309 2.252 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN1C1CCCCC1 ZINC000599126400 346463761 /nfs/dbraw/zinc/46/37/61/346463761.db2.gz GGRLOJCOVQSWKV-LBPRGKRZSA-N 0 3 293.371 2.147 20 5 CEBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000602600196 347094541 /nfs/dbraw/zinc/09/45/41/347094541.db2.gz NJHMIRXNTGSIHF-RAIGVLPGSA-N 0 3 278.356 2.339 20 5 CEBDHN CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599986487 346589488 /nfs/dbraw/zinc/58/94/88/346589488.db2.gz VFWQFZHPTVQKLT-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000336811726 365850291 /nfs/dbraw/zinc/85/02/91/365850291.db2.gz OGZNGWFYLSJKHJ-UHFFFAOYSA-N 0 3 268.288 2.393 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000601188193 346781163 /nfs/dbraw/zinc/78/11/63/346781163.db2.gz CYMZQTMCGKWFLF-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000336814977 365856502 /nfs/dbraw/zinc/85/65/02/365856502.db2.gz YKXQCUFFIDLWRE-LLVKDONJSA-N 0 3 266.341 2.496 20 5 CEBDHN Cn1cc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602677099 347138858 /nfs/dbraw/zinc/13/88/58/347138858.db2.gz SFPVURCCKPWICV-RYUDHWBXSA-N 0 3 278.356 2.339 20 5 CEBDHN C[C@H]1CC[C@H](CNCc2cccc([N+](=O)[O-])c2)O1 ZINC000128467745 187371781 /nfs/dbraw/zinc/37/17/81/187371781.db2.gz PKTKOLDYHASSOM-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602783194 347196212 /nfs/dbraw/zinc/19/62/12/347196212.db2.gz NOIFHGQTOHTUQN-MDZLAQPJSA-N 0 3 278.356 2.481 20 5 CEBDHN COC(=O)[C@@]1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602726815 347172979 /nfs/dbraw/zinc/17/29/79/347172979.db2.gz ZOZGDXIHIQNRHT-NHYWBVRUSA-N 0 3 292.335 2.226 20 5 CEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc[nH]1 ZINC000602729744 347175576 /nfs/dbraw/zinc/17/55/76/347175576.db2.gz CDQCAGXRPQQZJU-LLVKDONJSA-N 0 3 274.324 2.429 20 5 CEBDHN C[C@@H]1OCC[C@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000602760405 347186961 /nfs/dbraw/zinc/18/69/61/347186961.db2.gz SSIFYDFOFOMEGM-RYUDHWBXSA-N 0 3 264.325 2.452 20 5 CEBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000602834582 347218286 /nfs/dbraw/zinc/21/82/86/347218286.db2.gz UJBMDVIBTVDVFN-GFCCVEGCSA-N 0 3 296.371 2.108 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CCF)C1 ZINC000602894420 347240610 /nfs/dbraw/zinc/24/06/10/347240610.db2.gz GQWPCMNSKHHFJF-LBPRGKRZSA-N 0 3 284.335 2.171 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCC[C@H]2O)cs1 ZINC000085978269 179208417 /nfs/dbraw/zinc/20/84/17/179208417.db2.gz OHECHIXXRFLPFW-WDEREUQCSA-N 0 3 270.354 2.297 20 5 CEBDHN C[C@H](O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000086014605 179215244 /nfs/dbraw/zinc/21/52/44/179215244.db2.gz QPQRFCZMFYDDBN-QMMMGPOBSA-N 0 3 258.705 2.109 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1ccsc1[N+](=O)[O-] ZINC000610160399 347661948 /nfs/dbraw/zinc/66/19/48/347661948.db2.gz LMQIWLRILSDPFU-JTQLQIEISA-N 0 3 269.370 2.434 20 5 CEBDHN CC(C)[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452967 362908414 /nfs/dbraw/zinc/90/84/14/362908414.db2.gz OTZGRQZLDATXJE-BXUZGUMPSA-N 0 3 291.351 2.334 20 5 CEBDHN C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000339574590 215249775 /nfs/dbraw/zinc/24/97/75/215249775.db2.gz PPJWYQUSSOVVOJ-QWRGUYRKSA-N 0 3 277.324 2.264 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]2CCC[C@@H]21 ZINC000090550764 180002985 /nfs/dbraw/zinc/00/29/85/180002985.db2.gz GVIZFGGQNBZOCA-JSGCOSHPSA-N 0 3 291.351 2.021 20 5 CEBDHN Cc1c(CN(C)CC2CC(O)C2)cccc1[N+](=O)[O-] ZINC000091489888 180168920 /nfs/dbraw/zinc/16/89/20/180168920.db2.gz AMRVIQICQWIWLC-UHFFFAOYSA-N 0 3 264.325 2.106 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCCN(CC)C1 ZINC000091558987 180191401 /nfs/dbraw/zinc/19/14/01/180191401.db2.gz NJCYSEBFUYNZIQ-LLVKDONJSA-N 0 3 281.360 2.016 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091673508 180223835 /nfs/dbraw/zinc/22/38/35/180223835.db2.gz OALLJNCCYINZJG-MNOVXSKESA-N 0 3 295.314 2.009 20 5 CEBDHN C[C@@H](NCCc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000091957421 180292009 /nfs/dbraw/zinc/29/20/09/180292009.db2.gz FVOJYHGHQXJQFG-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CCN1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026868 180308494 /nfs/dbraw/zinc/30/84/94/180308494.db2.gz FFUVLTWJZVMMEU-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN COCC[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106468844 186119664 /nfs/dbraw/zinc/11/96/64/186119664.db2.gz HEAWLDGRMFOPCG-SNVBAGLBSA-N 0 3 268.313 2.118 20 5 CEBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890185 187889753 /nfs/dbraw/zinc/88/97/53/187889753.db2.gz VEEJPWXJLXZWLH-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN Cc1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152869591 188049904 /nfs/dbraw/zinc/04/99/04/188049904.db2.gz YMSGSSPQVVVGAU-BZPMIXESSA-N 0 3 262.309 2.313 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153781437 188103556 /nfs/dbraw/zinc/10/35/56/188103556.db2.gz VNSOMJCIDSEDTB-JTQLQIEISA-N 0 3 298.774 2.421 20 5 CEBDHN CCOc1ccc([C@@H](C)NCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000153804238 188104872 /nfs/dbraw/zinc/10/48/72/188104872.db2.gz QRSWMTGSVWOFKB-WDEREUQCSA-N 0 3 282.340 2.415 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451539155 283025389 /nfs/dbraw/zinc/02/53/89/283025389.db2.gz FCOOGIDWSVOCNF-OCCSQVGLSA-N 0 3 294.351 2.330 20 5 CEBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000271754754 191307351 /nfs/dbraw/zinc/30/73/51/191307351.db2.gz CPDHPGWPMKONDA-UHFFFAOYSA-N 0 3 282.731 2.317 20 5 CEBDHN CN1CC=C(CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000271886386 191389064 /nfs/dbraw/zinc/38/90/64/191389064.db2.gz WDIBBJAGLXHMBS-UHFFFAOYSA-N 0 3 282.731 2.317 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](CCCO)C2)cc1 ZINC000452134528 283199705 /nfs/dbraw/zinc/19/97/05/283199705.db2.gz URJLPXOEJGDWIM-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN CCCN(C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452180362 283215991 /nfs/dbraw/zinc/21/59/91/283215991.db2.gz DCTZXEHOYJLYDW-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN C[C@@H](N[C@H]1CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294469266 199051677 /nfs/dbraw/zinc/05/16/77/199051677.db2.gz WNPJUXUVUKPBBX-KOLCDFICSA-N 0 3 265.313 2.007 20 5 CEBDHN COC1([C@H](C)NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453156531 283489465 /nfs/dbraw/zinc/48/94/65/283489465.db2.gz WYZFVXCCLYBEAX-LBPRGKRZSA-N 0 3 294.351 2.269 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(C)C)C2)n1 ZINC000178188562 189096655 /nfs/dbraw/zinc/09/66/55/189096655.db2.gz JPGUKFBMFSRXEE-LLVKDONJSA-N 0 3 264.329 2.193 20 5 CEBDHN CC[C@@H](NCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179576599 189203833 /nfs/dbraw/zinc/20/38/33/189203833.db2.gz HKTBECVHOMAUFB-CYBMUJFWSA-N 0 3 280.324 2.399 20 5 CEBDHN Cc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182313592 189319585 /nfs/dbraw/zinc/31/95/85/189319585.db2.gz PJSHLQBYFRHNLP-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(NC2CCN(C)CC2)c1 ZINC000301716760 201157161 /nfs/dbraw/zinc/15/71/61/201157161.db2.gz HGXPUIZYIHEYJR-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN CCN1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000020054291 361575308 /nfs/dbraw/zinc/57/53/08/361575308.db2.gz DYIICQCMBYJTCX-CYBMUJFWSA-N 0 3 263.341 2.169 20 5 CEBDHN COc1cc(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000184787155 189396014 /nfs/dbraw/zinc/39/60/14/189396014.db2.gz GQTQOOIDGCBRTG-UHFFFAOYSA-N 0 3 279.340 2.134 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCOC1 ZINC000084439838 363809924 /nfs/dbraw/zinc/80/99/24/363809924.db2.gz XSDXJBJBNSHCPZ-VIFPVBQESA-N 0 3 270.716 2.374 20 5 CEBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093813635 364227673 /nfs/dbraw/zinc/22/76/73/364227673.db2.gz KSAZJRCFTFLVEI-OAHLLOKOSA-N 0 3 292.335 2.288 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104077248 364675726 /nfs/dbraw/zinc/67/57/26/364675726.db2.gz DVVWSGPFOPLWHV-GHMZBOCLSA-N 0 3 291.351 2.457 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC1(O)CCOCC1 ZINC000275580635 193079310 /nfs/dbraw/zinc/07/93/10/193079310.db2.gz PTVURMZCLGFFEX-GFCCVEGCSA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H](CN(C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582191977 366878376 /nfs/dbraw/zinc/87/83/76/366878376.db2.gz SKCUJASBPYXVOQ-GWCFXTLKSA-N 0 3 263.341 2.122 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000120824596 365481517 /nfs/dbraw/zinc/48/15/17/365481517.db2.gz POCYXLHHBHTPQY-RISCZKNCSA-N 0 3 291.351 2.007 20 5 CEBDHN Cc1nc(NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000161550126 367095573 /nfs/dbraw/zinc/09/55/73/367095573.db2.gz NMPCICDLTRPELS-LLVKDONJSA-N 0 3 264.329 2.052 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343454090 367824326 /nfs/dbraw/zinc/82/43/26/367824326.db2.gz PCZRUEAJQVFGSO-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN CS[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000345349758 368244912 /nfs/dbraw/zinc/24/49/12/368244912.db2.gz QITIJFUXHLMMHO-OLZOCXBDSA-N 0 3 295.408 2.385 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876112 368463937 /nfs/dbraw/zinc/46/39/37/368463937.db2.gz RLIGKYTWUWTHQN-HONMWMINSA-N 0 3 291.351 2.160 20 5 CEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CN(C)C ZINC000346153694 368564723 /nfs/dbraw/zinc/56/47/23/368564723.db2.gz HYLCWHLZBBZVRG-SECBINFHSA-N 0 3 299.758 2.237 20 5 CEBDHN CC1=CCN(CCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000358135407 370918787 /nfs/dbraw/zinc/91/87/87/370918787.db2.gz KAMBWYBSWJXQGF-UHFFFAOYSA-N 0 3 281.381 2.398 20 5 CEBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000188012140 369276933 /nfs/dbraw/zinc/27/69/33/369276933.db2.gz OXXALQHBSJSCOH-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN CSC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188234720 369323189 /nfs/dbraw/zinc/32/31/89/369323189.db2.gz DXHKIZYWWPLNFM-CMPLNLGQSA-N 0 3 284.381 2.278 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[C@@H](O)C1 ZINC000188800692 369410965 /nfs/dbraw/zinc/41/09/65/369410965.db2.gz GHDHURACSQNGII-JOYOIKCWSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@H]1CSCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190463200 369626829 /nfs/dbraw/zinc/62/68/29/369626829.db2.gz LJOCEQXJKGKKEF-RISCZKNCSA-N 0 3 296.392 2.313 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H]1CO ZINC000191185497 369689435 /nfs/dbraw/zinc/68/94/35/369689435.db2.gz AJHWMVBFHMLOEF-YGRLFVJLSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@@H]1CC(O)C[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000191279304 369697863 /nfs/dbraw/zinc/69/78/63/369697863.db2.gz JKHSZDWMDWJSRI-ODOQXGPZSA-N 0 3 278.352 2.371 20 5 CEBDHN C[C@H]1CC(O)C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000191287550 369698234 /nfs/dbraw/zinc/69/82/34/369698234.db2.gz IUVUZCPFUMBWMN-RYUDHWBXSA-N 0 3 294.351 2.207 20 5 CEBDHN Cc1ccc([C@@H](C)NCCCCO)cc1[N+](=O)[O-] ZINC000193277769 369915324 /nfs/dbraw/zinc/91/53/24/369915324.db2.gz QCGNSZPEFXVNBN-LLVKDONJSA-N 0 3 252.314 2.326 20 5 CEBDHN COCCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352997990 369976169 /nfs/dbraw/zinc/97/61/69/369976169.db2.gz BFOBXRKCQDCYAA-UHFFFAOYSA-N 0 3 279.340 2.165 20 5 CEBDHN Cc1ccc(CNC[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353115754 370023792 /nfs/dbraw/zinc/02/37/92/370023792.db2.gz MEUYHMJXFOWDBI-ZDUSSCGKSA-N 0 3 264.325 2.011 20 5 CEBDHN CC(C)[C@H]1CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028183 369990071 /nfs/dbraw/zinc/99/00/71/369990071.db2.gz PJDOAYCDGBBGBG-DZGCQCFKSA-N 0 3 294.351 2.065 20 5 CEBDHN CC1=CCN(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358315601 371010572 /nfs/dbraw/zinc/01/05/72/371010572.db2.gz WYGCMTZPGMWOTG-UHFFFAOYSA-N 0 3 262.313 2.054 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCC[C@@H](C)C1 ZINC000360959499 371562905 /nfs/dbraw/zinc/56/29/05/371562905.db2.gz GXPUPEVTYREZMK-LLVKDONJSA-N 0 3 295.387 2.263 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCNC[C@H]2c2cccnc2)c1 ZINC000262213426 371838744 /nfs/dbraw/zinc/83/87/44/371838744.db2.gz LTZGTDROSIGRIA-INIZCTEOSA-N 0 3 298.346 2.136 20 5 CEBDHN COc1ccc(CN[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344332542 217154718 /nfs/dbraw/zinc/15/47/18/217154718.db2.gz OGRVMLBQOLKSLP-YPMHNXCESA-N 0 3 293.367 2.176 20 5 CEBDHN COc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000270170656 372687850 /nfs/dbraw/zinc/68/78/50/372687850.db2.gz UHVCLXQWJZVKEU-OCCSQVGLSA-N 0 3 294.351 2.196 20 5 CEBDHN CC(C)=CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364341226 372732887 /nfs/dbraw/zinc/73/28/87/372732887.db2.gz TZHOWWQQQPMXFN-LBPRGKRZSA-N 0 3 264.329 2.394 20 5 CEBDHN C[C@@H]1CCN(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353459422 220095205 /nfs/dbraw/zinc/09/52/05/220095205.db2.gz HHRXZDRWIJDIQP-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN COc1ccc(CN2CCN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000271082744 373109445 /nfs/dbraw/zinc/10/94/45/373109445.db2.gz YSRYRWRBCBNTKM-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272113084 373311064 /nfs/dbraw/zinc/31/10/64/373311064.db2.gz NZMNNEKMDKMTRY-LLVKDONJSA-N 0 3 291.351 2.114 20 5 CEBDHN C[C@H](O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555922 373548002 /nfs/dbraw/zinc/54/80/02/373548002.db2.gz SEWZVZGVDFHKLP-JRCXTIHVSA-N 0 3 276.336 2.311 20 5 CEBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274533914 373954278 /nfs/dbraw/zinc/95/42/78/373954278.db2.gz USRUDVLTBZWZCD-ZDUSSCGKSA-N 0 3 291.351 2.197 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@](O)(C2CC2)C1 ZINC000373329322 374330065 /nfs/dbraw/zinc/33/00/65/374330065.db2.gz WICBQKVWWYVIGD-HNNXBMFYSA-N 0 3 276.336 2.250 20 5 CEBDHN CC[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368196 374850184 /nfs/dbraw/zinc/85/01/84/374850184.db2.gz WYTSLLXAKUIPKO-MFKMUULPSA-N 0 3 291.351 2.362 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000386246789 375255118 /nfs/dbraw/zinc/25/51/18/375255118.db2.gz IPZPCVZSBHGLSZ-STQMWFEESA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1c([C@@H](C)NCC2([S@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509213 375501703 /nfs/dbraw/zinc/50/17/03/375501703.db2.gz YSMOJAYVOKDXGM-GIPWTMENSA-N 0 3 296.392 2.465 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCC[C@@H]1O ZINC000283280045 375685254 /nfs/dbraw/zinc/68/52/54/375685254.db2.gz XEQKTMBQJFOOSM-RISCZKNCSA-N 0 3 282.315 2.327 20 5 CEBDHN CCOC1CC(N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286925489 376105114 /nfs/dbraw/zinc/10/51/14/376105114.db2.gz KVFVPHRRJSMAGZ-NRXISQOPSA-N 0 3 294.351 2.128 20 5 CEBDHN COc1ccc(CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000263713149 190074756 /nfs/dbraw/zinc/07/47/56/190074756.db2.gz NNPXHYXYIUZRDR-JTQLQIEISA-N 0 3 250.298 2.445 20 5 CEBDHN Cc1sc(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000263920670 190085161 /nfs/dbraw/zinc/08/51/61/190085161.db2.gz ORCQUSOWYKITBT-JTQLQIEISA-N 0 3 297.380 2.131 20 5 CEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)C ZINC000289952277 376574736 /nfs/dbraw/zinc/57/47/36/376574736.db2.gz XUQQIZLQGGJSMC-JTQLQIEISA-N 0 3 294.355 2.229 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CN1C1CC1 ZINC000290495207 376803092 /nfs/dbraw/zinc/80/30/92/376803092.db2.gz AHUGEGMWSCJKPG-DTWKUNHWSA-N 0 3 294.330 2.353 20 5 CEBDHN Cc1cc(NCCc2nnc[nH]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000316972986 376806766 /nfs/dbraw/zinc/80/67/66/376806766.db2.gz GKKNWXQDODFSPO-UHFFFAOYSA-N 0 3 298.306 2.224 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291152055 377094462 /nfs/dbraw/zinc/09/44/62/377094462.db2.gz DVBPYWJXIJIKJK-GFCCVEGCSA-N 0 3 282.340 2.330 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000264868768 190140311 /nfs/dbraw/zinc/14/03/11/190140311.db2.gz NXJAITAQMLJSAO-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000293191427 377465240 /nfs/dbraw/zinc/46/52/40/377465240.db2.gz XEEBPZVZGSUFGW-LBPRGKRZSA-N 0 3 252.314 2.234 20 5 CEBDHN CO[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000293202012 377469197 /nfs/dbraw/zinc/46/91/97/377469197.db2.gz XSDFANBAOSBAEW-CQSZACIVSA-N 0 3 264.325 2.418 20 5 CEBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293401669 377553783 /nfs/dbraw/zinc/55/37/83/377553783.db2.gz LPDFHGDENXYIDS-QWRGUYRKSA-N 0 3 250.298 2.314 20 5 CEBDHN CC[C@@H](O)[C@H](CC)NCc1csc([N+](=O)[O-])c1 ZINC000313155841 249387103 /nfs/dbraw/zinc/38/71/03/249387103.db2.gz NSUBUTWXHWDRJT-VHSXEESVSA-N 0 3 258.343 2.295 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000293634840 377667571 /nfs/dbraw/zinc/66/75/71/377667571.db2.gz KLGXHUDCVXTLIB-JQWIXIFHSA-N 0 3 282.340 2.415 20 5 CEBDHN CN1CC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000565597719 377676976 /nfs/dbraw/zinc/67/69/76/377676976.db2.gz MFQJRWQUGNXGGP-NSHDSACASA-N 0 3 290.367 2.232 20 5 CEBDHN CCC[C@@H](CNCc1cccc([N+](=O)[O-])c1)OC ZINC000293740839 377733514 /nfs/dbraw/zinc/73/35/14/377733514.db2.gz SGADAVVJRBNISV-ZDUSSCGKSA-N 0 3 252.314 2.500 20 5 CEBDHN CO[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293768066 377749330 /nfs/dbraw/zinc/74/93/30/377749330.db2.gz RWIZKODKGMDDIG-XPTSAGLGSA-N 0 3 279.340 2.253 20 5 CEBDHN CCC[C@H](CNCc1ccccc1[N+](=O)[O-])OC ZINC000293795332 377761939 /nfs/dbraw/zinc/76/19/39/377761939.db2.gz XTTPBNGOFOWYLJ-GFCCVEGCSA-N 0 3 252.314 2.500 20 5 CEBDHN Cc1nc(N[C@H](C)CN2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568451 378216845 /nfs/dbraw/zinc/21/68/45/378216845.db2.gz QZEILGWSMMIACY-GHMZBOCLSA-N 0 3 293.371 2.226 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(C(C)C)C1 ZINC000450949516 378657906 /nfs/dbraw/zinc/65/79/06/378657906.db2.gz ASRCMRRXYBRUSC-LBPRGKRZSA-N 0 3 295.387 2.039 20 5 CEBDHN CCN(CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347326944 218191456 /nfs/dbraw/zinc/19/14/56/218191456.db2.gz XNXPZVITNWQITM-XFXZXTDPSA-N 0 3 264.325 2.312 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@](C)(O)C1 ZINC000347363561 218206086 /nfs/dbraw/zinc/20/60/86/218206086.db2.gz RWGGDCMEXJUPAV-LDCOFTPGSA-N 0 3 276.336 2.455 20 5 CEBDHN CCOCC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772400 194149173 /nfs/dbraw/zinc/14/91/73/194149173.db2.gz NFWRRRLKXSXEPB-RYUDHWBXSA-N 0 3 282.340 2.033 20 5 CEBDHN CC(C)N1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000517030489 379337510 /nfs/dbraw/zinc/33/75/10/379337510.db2.gz VIABUTPWIQPPPA-NSHDSACASA-N 0 3 297.330 2.159 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C(C)(C)C ZINC000278938813 194220992 /nfs/dbraw/zinc/22/09/92/194220992.db2.gz XWAQSFYIFFUWKH-ZDUSSCGKSA-N 0 3 282.340 2.100 20 5 CEBDHN COC(C)(C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000302498567 379385010 /nfs/dbraw/zinc/38/50/10/379385010.db2.gz TWHOHBYRNAWMIP-JTQLQIEISA-N 0 3 252.314 2.498 20 5 CEBDHN Cc1cc(N(C)[C@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835717 190283848 /nfs/dbraw/zinc/28/38/48/190283848.db2.gz JXQXCSMRJPTNPC-NEPJUHHUSA-N 0 3 278.356 2.217 20 5 CEBDHN C[C@]1(CO)CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000304314897 379553473 /nfs/dbraw/zinc/55/34/73/379553473.db2.gz KZGJKTNEQTZAMV-UONOGXRCSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1c([C@@H](C)NCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000305141301 379656764 /nfs/dbraw/zinc/65/67/64/379656764.db2.gz QDTWIHQFQUMEIQ-LLVKDONJSA-N 0 3 264.325 2.469 20 5 CEBDHN CC(C)(O)[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000305154227 379664313 /nfs/dbraw/zinc/66/43/13/379664313.db2.gz BLFFWFGDRSLQCE-CQSZACIVSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000350289607 219005096 /nfs/dbraw/zinc/00/50/96/219005096.db2.gz RLBBHEPBTLOBKY-CYBMUJFWSA-N 0 3 268.288 2.250 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCC[C@@H]1O)CCC2 ZINC000193004044 285144565 /nfs/dbraw/zinc/14/45/65/285144565.db2.gz WIOCZTCCXHBRBJ-KKUMJFAQSA-N 0 3 276.336 2.475 20 5 CEBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCCF)C1CC1 ZINC000280560367 285161518 /nfs/dbraw/zinc/16/15/18/285161518.db2.gz ACVIFYJKYLAYRF-GFCCVEGCSA-N 0 3 252.289 2.475 20 5 CEBDHN CCc1nn(C)c(SCCN(CC)CC)c1[N+](=O)[O-] ZINC000288999573 197210195 /nfs/dbraw/zinc/21/01/95/197210195.db2.gz WJABQOSFXLXHAP-UHFFFAOYSA-N 0 3 286.401 2.325 20 5 CEBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413022737 394464699 /nfs/dbraw/zinc/46/46/99/394464699.db2.gz FTPWIQXPYNWRLM-VIFPVBQESA-N 0 3 268.292 2.025 20 5 CEBDHN CC[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000413582687 394590217 /nfs/dbraw/zinc/59/02/17/394590217.db2.gz HCUAAGBTKVOELT-CYBMUJFWSA-N 0 3 293.367 2.286 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000051554578 394555748 /nfs/dbraw/zinc/55/57/48/394555748.db2.gz UOQIUQUOZOBNIP-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@@H]1[C@H](C)N(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000356999382 394677103 /nfs/dbraw/zinc/67/71/03/394677103.db2.gz KLLGECZYJXPSAJ-QWHCGFSZSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@@H]1[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357049651 394693346 /nfs/dbraw/zinc/69/33/46/394693346.db2.gz YJTLMTGRAXFTHG-NEPJUHHUSA-N 0 3 263.341 2.119 20 5 CEBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000119135370 394764933 /nfs/dbraw/zinc/76/49/33/394764933.db2.gz SNFHTNDPBGMSAT-GHMZBOCLSA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000415508546 394940022 /nfs/dbraw/zinc/94/00/22/394940022.db2.gz VDRNQQQCNJEOGN-QWRGUYRKSA-N 0 3 292.339 2.117 20 5 CEBDHN CC(C)OCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388717 395093143 /nfs/dbraw/zinc/09/31/43/395093143.db2.gz DRQNSHUVDBRMEF-ZDUSSCGKSA-N 0 3 296.371 2.243 20 5 CEBDHN C[C@H]1[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCCN1C ZINC000436360616 395111607 /nfs/dbraw/zinc/11/16/07/395111607.db2.gz NGWIGNOAKWAYSS-JQWIXIFHSA-N 0 3 290.367 2.457 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCn2ccnc2C1 ZINC000494426461 395112742 /nfs/dbraw/zinc/11/27/42/395112742.db2.gz OZPAQFDXAFZEER-CYBMUJFWSA-N 0 3 286.335 2.204 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618790 395236987 /nfs/dbraw/zinc/23/69/87/395236987.db2.gz JBTJOKSAFJFMPN-DGCLKSJQSA-N 0 3 264.325 2.045 20 5 CEBDHN CC[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CC1(C)C ZINC000419315496 395254965 /nfs/dbraw/zinc/25/49/65/395254965.db2.gz JXJBZOYUKRSRIN-UWVGGRQHSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1c(CN[C@H]2CO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946516 395266626 /nfs/dbraw/zinc/26/66/26/395266626.db2.gz JETRNVAUQIRKMW-BXKDBHETSA-N 0 3 250.298 2.170 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CO)CCC1 ZINC000184370024 395272327 /nfs/dbraw/zinc/27/23/27/395272327.db2.gz KGXCKNYQEVFZDK-UHFFFAOYSA-N 0 3 294.351 2.246 20 5 CEBDHN C[S@@](=O)C1(CNC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000441198526 395379831 /nfs/dbraw/zinc/37/98/31/395379831.db2.gz IRKGNMPSPXHBRS-RDBXKPKDSA-N 0 3 294.376 2.109 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C(C)C)C1 ZINC000192535263 395386445 /nfs/dbraw/zinc/38/64/45/395386445.db2.gz HDWUAALLDZSHTJ-LLVKDONJSA-N 0 3 281.360 2.014 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420636903 395396491 /nfs/dbraw/zinc/39/64/91/395396491.db2.gz OALNLXNRSNPYIY-SNVBAGLBSA-N 0 3 284.747 2.174 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684817 395445603 /nfs/dbraw/zinc/44/56/03/395445603.db2.gz OKEFQMILCWEBST-UHFFFAOYSA-N 0 3 292.339 2.110 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250295 395598689 /nfs/dbraw/zinc/59/86/89/395598689.db2.gz DHGHIDZGTDNUAR-CHWSQXEVSA-N 0 3 294.351 2.196 20 5 CEBDHN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000572826841 395589295 /nfs/dbraw/zinc/58/92/95/395589295.db2.gz FDMYOVZJVSREKO-MNOVXSKESA-N 0 3 286.335 2.330 20 5 CEBDHN COCCCN(C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000360080909 155207681 /nfs/dbraw/zinc/20/76/81/155207681.db2.gz BTLWJWRXCCYXMW-UHFFFAOYSA-N 0 3 299.346 2.423 20 5 CEBDHN CCOCC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296726940 286131774 /nfs/dbraw/zinc/13/17/74/286131774.db2.gz NOVHNFSZVSNOCQ-FZMZJTMJSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC[C@@H]1CCOC1 ZINC000230162128 153385277 /nfs/dbraw/zinc/38/52/77/153385277.db2.gz ITZXIYNHJOQIPE-LLVKDONJSA-N 0 3 250.298 2.111 20 5 CEBDHN COc1ccc(CNC[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000230667159 153399135 /nfs/dbraw/zinc/39/91/35/153399135.db2.gz DNMPIYFUUWYAGX-DGCLKSJQSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1c(CN2CCN(C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000357076285 154370578 /nfs/dbraw/zinc/37/05/78/154370578.db2.gz WRDBWOLCTIXZCU-QWHCGFSZSA-N 0 3 277.368 2.428 20 5 CEBDHN CC[C@H](N[C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000168482930 162367645 /nfs/dbraw/zinc/36/76/45/162367645.db2.gz QWWYPBBVKYGGTC-KPGGICDASA-N 0 3 284.381 2.403 20 5 CEBDHN Cc1ccc(CN[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000035272291 172092852 /nfs/dbraw/zinc/09/28/52/172092852.db2.gz YBZBCQGTUCGDLH-GFCCVEGCSA-N 0 3 274.324 2.278 20 5 CEBDHN COCCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285199757 196219485 /nfs/dbraw/zinc/21/94/85/196219485.db2.gz CXFWTOWXUHLKBU-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN CO[C@@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000285720747 196377743 /nfs/dbraw/zinc/37/77/43/196377743.db2.gz PJWWHMWNUNRWMA-JTQLQIEISA-N 0 3 252.314 2.370 20 5 CEBDHN COC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037308525 173111003 /nfs/dbraw/zinc/11/10/03/173111003.db2.gz IPBCLCMREIYUAI-SNVBAGLBSA-N 0 3 266.297 2.117 20 5 CEBDHN CCN1CCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000037562515 173272895 /nfs/dbraw/zinc/27/28/95/173272895.db2.gz AHUMCGCYETZXMC-LLVKDONJSA-N 0 3 269.370 2.230 20 5 CEBDHN C[C@@H](N[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672576 174370883 /nfs/dbraw/zinc/37/08/83/174370883.db2.gz JVUCEDRWVJHFQB-DGCLKSJQSA-N 0 3 263.341 2.340 20 5 CEBDHN Cc1ccc(NC(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604229573 414821724 /nfs/dbraw/zinc/82/17/24/414821724.db2.gz YQQAXFATEWFGAX-LBPRGKRZSA-N 0 3 292.339 2.119 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044686293 175231739 /nfs/dbraw/zinc/23/17/39/175231739.db2.gz KDPSWYZFTSDVSG-CYBMUJFWSA-N 0 3 275.352 2.230 20 5 CEBDHN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000044991298 175286277 /nfs/dbraw/zinc/28/62/77/175286277.db2.gz CSLOROUJDPNHKJ-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425357541 264069185 /nfs/dbraw/zinc/06/91/85/264069185.db2.gz PCSQSKKUODHWFV-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCC2(O)CCC2)cc1 ZINC000421367517 270611152 /nfs/dbraw/zinc/61/11/52/270611152.db2.gz FBHSVBDNOSTTSD-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3CN(C)C[C@H]32)n1 ZINC000425279435 271152271 /nfs/dbraw/zinc/15/22/71/271152271.db2.gz FWHIXZKBRAOMMR-QWHCGFSZSA-N 0 3 290.367 2.137 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[C@H](C)O ZINC000430211747 271362868 /nfs/dbraw/zinc/36/28/68/271362868.db2.gz YPLPFMJCUAVPMD-WCQYABFASA-N 0 3 294.351 2.339 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000430205993 271363590 /nfs/dbraw/zinc/36/35/90/271363590.db2.gz VIHRWPMNNPQJDR-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN CC[C@H](C)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000296137923 273744270 /nfs/dbraw/zinc/74/42/70/273744270.db2.gz XAFHRHNJBMRELY-NSHDSACASA-N 0 3 278.356 2.098 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000272178137 277178430 /nfs/dbraw/zinc/17/84/30/277178430.db2.gz JTBBWMCDPAUKKP-HZMBPMFUSA-N 0 3 279.315 2.264 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568205 277243421 /nfs/dbraw/zinc/24/34/21/277243421.db2.gz LQERCGQXUWHGKZ-UHTWSYAYSA-N 0 3 291.351 2.160 20 5 CEBDHN COC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278911418 277599936 /nfs/dbraw/zinc/59/99/36/277599936.db2.gz ZJOXNVJXMSMLQY-BYCMXARLSA-N 0 3 294.351 2.439 20 5 CEBDHN CC[C@H](NC[C@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228051081 288050229 /nfs/dbraw/zinc/05/02/29/288050229.db2.gz OYWKWGORFDWLEX-BYCMXARLSA-N 0 3 294.351 2.175 20 5 CEBDHN C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000249117051 280384968 /nfs/dbraw/zinc/38/49/68/280384968.db2.gz SLYUHQDAQBMZBN-NBOVPLECSA-N 0 3 276.336 2.311 20 5 CEBDHN COc1cccc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000397938761 280688522 /nfs/dbraw/zinc/68/85/22/280688522.db2.gz SWCHRMVHMJRCOL-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN CC(C)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000488010246 290374599 /nfs/dbraw/zinc/37/45/99/290374599.db2.gz PFOOQIBNIQAQMP-OAHLLOKOSA-N 0 3 277.368 2.367 20 5 CEBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000540159158 298263398 /nfs/dbraw/zinc/26/33/98/298263398.db2.gz XTBVZENXUUPBCC-DGCLKSJQSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[S@@](C)=O ZINC000543417826 298308049 /nfs/dbraw/zinc/30/80/49/298308049.db2.gz DFKQADIMVDRSEQ-ZHYXMNDGSA-N 0 3 284.381 2.321 20 5 CEBDHN CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000530584259 313300272 /nfs/dbraw/zinc/30/02/72/313300272.db2.gz PDNYRXZDJUFHSX-AWEZNQCLSA-N 0 3 293.367 2.331 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@](C)(O)C1 ZINC000577485742 314381637 /nfs/dbraw/zinc/38/16/37/314381637.db2.gz YXVVOECNEPCORB-COPLHBTASA-N 0 3 264.325 2.467 20 5 CEBDHN CCO[C@@H]1C[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732892 335877092 /nfs/dbraw/zinc/87/70/92/335877092.db2.gz BAXJLGORLJTGIW-SGMGOOAPSA-N 0 3 262.309 2.349 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCC[C@H](CO)C2)c1 ZINC000363479795 527386709 /nfs/dbraw/zinc/38/67/09/527386709.db2.gz JTMYDLHMTUWUNC-ZDUSSCGKSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](CC(F)(F)F)C2)n1 ZINC000278643488 527406756 /nfs/dbraw/zinc/40/67/56/527406756.db2.gz HCBXVXXZILNVTE-VIFPVBQESA-N 0 3 292.261 2.066 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000892459438 625521993 /nfs/dbraw/zinc/52/19/93/625521993.db2.gz BYUIDXGQPZKMJI-LLVKDONJSA-N 0 3 294.355 2.285 20 5 CEBDHN Cc1nc(CC(C)C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103703 623020817 /nfs/dbraw/zinc/02/08/17/623020817.db2.gz FWWNYXQEBLCPFL-QMMMGPOBSA-N 0 3 286.353 2.472 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)[N+](=O)[O-] ZINC000813111502 623049078 /nfs/dbraw/zinc/04/90/78/623049078.db2.gz IONODVXCMMOBEQ-VGMNWLOBSA-N 0 3 285.246 2.277 20 5 CEBDHN CC[C@H](Oc1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112984 623060225 /nfs/dbraw/zinc/06/02/25/623060225.db2.gz NCAZWOOTWWEZJJ-YPMHNXCESA-N 0 3 281.308 2.361 20 5 CEBDHN Cc1nc(C2CCC2)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000893043764 627964546 /nfs/dbraw/zinc/96/45/46/627964546.db2.gz CMQXHAILFOYYRV-MRVPVSSYSA-N 0 3 298.364 2.470 20 5 CEBDHN CCOC(C)(C)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893874404 629025141 /nfs/dbraw/zinc/02/51/41/629025141.db2.gz FEIGYSIKSDPTSW-UHFFFAOYSA-N 0 3 298.339 2.214 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC2(SC)CC2)c1[N+](=O)[O-] ZINC000894107873 629134567 /nfs/dbraw/zinc/13/45/67/629134567.db2.gz VGYDGKGGNLMNRV-UHFFFAOYSA-N 0 3 298.364 2.294 20 5 CEBDHN COC(=O)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000237130680 629297626 /nfs/dbraw/zinc/29/76/26/629297626.db2.gz GSHGRRZSSHMWKF-UHFFFAOYSA-N 0 3 266.297 2.026 20 5 CEBDHN Cc1cc(N2CCN(C)[C@@H](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000895100661 629896537 /nfs/dbraw/zinc/89/65/37/629896537.db2.gz DQJADSVFWQWVQA-CYBMUJFWSA-N 0 3 292.383 2.465 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000895995470 630434044 /nfs/dbraw/zinc/43/40/44/630434044.db2.gz QWFWPKNEQKDJRG-JTQLQIEISA-N 0 3 278.308 2.365 20 5 CEBDHN CC[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200588 630997600 /nfs/dbraw/zinc/99/76/00/630997600.db2.gz LTRVFOLVUMAMFU-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN CC[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200586 630997816 /nfs/dbraw/zinc/99/78/16/630997816.db2.gz LTRVFOLVUMAMFU-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1c([C@H](C)NCCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084003 632452141 /nfs/dbraw/zinc/45/21/41/632452141.db2.gz JTSNQKFVAJBMJF-STQMWFEESA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@H](NCCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084907 632452196 /nfs/dbraw/zinc/45/21/96/632452196.db2.gz OGKKJMNGHXUXNY-FZMZJTMJSA-N 0 3 280.324 2.051 20 5 CEBDHN CC(COC(=O)[C@@H]1SCCc2ccccc21)[N+](=O)[O-] ZINC000813099690 632620039 /nfs/dbraw/zinc/62/00/39/632620039.db2.gz ANHGGSZKNAFIHB-BXKDBHETSA-N 0 3 281.333 2.225 20 5 CEBDHN CC[C@@H]1CCCC[C@H]1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813099957 632620808 /nfs/dbraw/zinc/62/08/08/632620808.db2.gz IIDVEXHMOYQCIR-IJLUTSLNSA-N 0 3 273.329 2.180 20 5 CEBDHN CC(COC(=O)c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813103405 632622125 /nfs/dbraw/zinc/62/21/25/632622125.db2.gz PWCJSYREHRRRCQ-SSDOTTSWSA-N 0 3 293.197 2.407 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000813104225 632622468 /nfs/dbraw/zinc/62/24/68/632622468.db2.gz YLKJOAPTLDNKRQ-UJICNMFASA-N 0 3 267.256 2.437 20 5 CEBDHN Cc1nc(CC(C)C)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104318 632622874 /nfs/dbraw/zinc/62/28/74/632622874.db2.gz MIUPWJOKKACILK-QMMMGPOBSA-N 0 3 270.285 2.004 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813106319 632623690 /nfs/dbraw/zinc/62/36/90/632623690.db2.gz APICWDURMPFQHW-MNOVXSKESA-N 0 3 293.319 2.151 20 5 CEBDHN CC(COC(=O)COc1ccc2ccccc2c1)[N+](=O)[O-] ZINC000813106957 632624560 /nfs/dbraw/zinc/62/45/60/632624560.db2.gz IXGZYHKUDUEXNC-LLVKDONJSA-N 0 3 289.287 2.427 20 5 CEBDHN CC(COC(=O)C1(c2cccc(F)c2)CC1)[N+](=O)[O-] ZINC000813107785 632625008 /nfs/dbraw/zinc/62/50/08/632625008.db2.gz WDUBIMZJLSWKQH-SECBINFHSA-N 0 3 267.256 2.066 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000813110097 632626436 /nfs/dbraw/zinc/62/64/36/632626436.db2.gz ZIVOMZCGTLRKDU-ABRRARGCSA-N 0 3 267.256 2.437 20 5 CEBDHN CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccn1 ZINC000813109965 632626587 /nfs/dbraw/zinc/62/65/87/632626587.db2.gz QRCRXAHPVRUHPM-MNOVXSKESA-N 0 3 266.297 2.174 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813109647 632626832 /nfs/dbraw/zinc/62/68/32/632626832.db2.gz NMIHTHLMVFVYCF-BDAKNGLRSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)c1ccc(OC(F)F)cc1)[N+](=O)[O-] ZINC000813110085 632626849 /nfs/dbraw/zinc/62/68/49/632626849.db2.gz SASVJRYIBYABFL-SSDOTTSWSA-N 0 3 275.207 2.110 20 5 CEBDHN CC(C)c1ccccc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113851 632628592 /nfs/dbraw/zinc/62/85/92/632628592.db2.gz JXDVHJCDHODYFF-NSHDSACASA-N 0 3 281.308 2.397 20 5 CEBDHN CCCOc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113454 632628688 /nfs/dbraw/zinc/62/86/88/632628688.db2.gz QCVNLYVIJXNPPL-NSHDSACASA-N 0 3 281.308 2.226 20 5 CEBDHN CC[C@@H](Oc1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112983 632628730 /nfs/dbraw/zinc/62/87/30/632628730.db2.gz NCAZWOOTWWEZJJ-WCQYABFASA-N 0 3 281.308 2.361 20 5 CEBDHN COc1cc([C@H](C)NCCOCCF)cc([N+](=O)[O-])c1 ZINC000903205643 635014927 /nfs/dbraw/zinc/01/49/27/635014927.db2.gz KCHLSAOVBMQKJJ-JTQLQIEISA-N 0 3 286.303 2.240 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC(CCO)C1 ZINC000903333613 635065892 /nfs/dbraw/zinc/06/58/92/635065892.db2.gz RMLAQXAWXZUNCX-UNXYVOJBSA-N 0 3 294.351 2.415 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCN1C ZINC000825048039 635548655 /nfs/dbraw/zinc/54/86/55/635548655.db2.gz KKHRLXDUESTQEL-LBPRGKRZSA-N 0 3 291.351 2.036 20 5 CEBDHN CC[C@H](CNCC[N+](=O)[O-])Oc1ccccc1C ZINC000905154402 635831151 /nfs/dbraw/zinc/83/11/51/635831151.db2.gz KPOKPCXRCVLBTA-GFCCVEGCSA-N 0 3 252.314 2.019 20 5 CEBDHN COC(=O)[C@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876594117 650350881 /nfs/dbraw/zinc/35/08/81/650350881.db2.gz LAYMJSLOJOSXQS-LBPRGKRZSA-N 0 3 292.335 2.207 20 5 CEBDHN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910297026 638000344 /nfs/dbraw/zinc/00/03/44/638000344.db2.gz UFUXNIVMVBYUQV-LBPRGKRZSA-N 0 3 291.351 2.151 20 5 CEBDHN C/C=C/COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835456200 638262997 /nfs/dbraw/zinc/26/29/97/638262997.db2.gz SVQWZVLQTFCYMJ-AAOUONPWSA-N 0 3 293.319 2.392 20 5 CEBDHN CC(COC(=O)CCCc1c(F)cccc1F)[N+](=O)[O-] ZINC000847714844 641748491 /nfs/dbraw/zinc/74/84/91/641748491.db2.gz ZIXVNEYZNRIWMX-SECBINFHSA-N 0 3 287.262 2.496 20 5 CEBDHN CC(COC(=O)C(C)(C)CC(F)(F)F)[N+](=O)[O-] ZINC000851036891 642889988 /nfs/dbraw/zinc/88/99/88/642889988.db2.gz OXEUGWWPYNZNLK-LURJTMIESA-N 0 3 257.208 2.173 20 5 CEBDHN CC(COC(=O)[C@@H]1CCc2cc(F)ccc21)[N+](=O)[O-] ZINC000851036770 642890255 /nfs/dbraw/zinc/89/02/55/642890255.db2.gz MXICNHBGVQATSE-PRHODGIISA-N 0 3 267.256 2.064 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000877631773 650824196 /nfs/dbraw/zinc/82/41/96/650824196.db2.gz VAEOKIZYHNVDKD-SWLSCSKDSA-N 0 3 276.336 2.168 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC1CSC1 ZINC000877634569 650825782 /nfs/dbraw/zinc/82/57/82/650825782.db2.gz SGMNJUPEIKWJIP-UHFFFAOYSA-N 0 3 252.339 2.417 20 5 CEBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(F)c2)CCC1 ZINC000838918788 644068540 /nfs/dbraw/zinc/06/85/40/644068540.db2.gz VYDWSJJORZNVRP-UHFFFAOYSA-N 0 3 296.298 2.309 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCn2cccn2)cc1Cl ZINC000761520746 645293876 /nfs/dbraw/zinc/29/38/76/645293876.db2.gz FCUGVOXWQMQBJM-UHFFFAOYSA-N 0 3 280.715 2.235 20 5 CEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1O ZINC000783679475 647747585 /nfs/dbraw/zinc/74/75/85/647747585.db2.gz IIVVGKMABFJQJC-NEPJUHHUSA-N 0 3 284.743 2.497 20 5 CEBDHN CC(COC(=O)c1conc1C1CCCC1)[N+](=O)[O-] ZINC000870376717 648789896 /nfs/dbraw/zinc/78/98/96/648789896.db2.gz LEXAIGOZEAAAPN-MRVPVSSYSA-N 0 3 268.269 2.154 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[C@H]1O ZINC000872080886 649266957 /nfs/dbraw/zinc/26/69/57/649266957.db2.gz CJDHHTUDUGVHMP-XXILOJSOSA-N 0 3 282.365 2.491 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202467 649313321 /nfs/dbraw/zinc/31/33/21/649313321.db2.gz JJRIRAILXBESQE-AAEUAGOBSA-N 0 3 296.367 2.076 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H](O)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000872202468 649313677 /nfs/dbraw/zinc/31/36/77/649313677.db2.gz JJRIRAILXBESQE-DGCLKSJQSA-N 0 3 296.367 2.076 20 5 CEBDHN CC(C)(CO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000124312533 649506949 /nfs/dbraw/zinc/50/69/49/649506949.db2.gz QULAZTCNDKNYRD-UHFFFAOYSA-N 0 3 272.732 2.356 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCOC1 ZINC000873094233 649557696 /nfs/dbraw/zinc/55/76/96/649557696.db2.gz DBEWMRJZLPFDHH-NSHDSACASA-N 0 3 250.298 2.090 20 5 CEBDHN Cc1ncc(C(F)(F)F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532784 649695902 /nfs/dbraw/zinc/69/59/02/649695902.db2.gz NPVZUQXMDSYTGQ-LURJTMIESA-N 0 3 292.213 2.231 20 5 CEBDHN CC(C)CC[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000883187892 652393652 /nfs/dbraw/zinc/39/36/52/652393652.db2.gz YUSXGOBFODTPDW-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1cc(O[C@@H]2CN3CCC2CC3)cc([N+](=O)[O-])c1 ZINC001228833861 806348244 /nfs/dbraw/zinc/34/82/44/806348244.db2.gz SPQPKYUWRWSGKS-CQSZACIVSA-N 0 3 262.309 2.376 20 5 CEBDHN CN1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001167278255 802624973 /nfs/dbraw/zinc/62/49/73/802624973.db2.gz FBWKWNSZEBXAHX-NSHDSACASA-N 0 3 272.308 2.259 20 5 CEBDHN CC(C)(C)[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168557723 808626447 /nfs/dbraw/zinc/62/64/47/808626447.db2.gz MIGGFFUZJQMAFI-ZDUSSCGKSA-N 0 3 279.340 2.017 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)CN1 ZINC000706499394 809827752 /nfs/dbraw/zinc/82/77/52/809827752.db2.gz LJUBFBZDHQTDFV-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cc(F)cnc2Cl)C1 ZINC001168988563 811337667 /nfs/dbraw/zinc/33/76/67/811337667.db2.gz SLLNGCIOPHNWIO-KCJUWKMLSA-N 0 3 287.722 2.409 20 5 CEBDHN C[C@H](N)c1ccn(-c2ccc3cnccc3c2[N+](=O)[O-])n1 ZINC001169232723 811448190 /nfs/dbraw/zinc/44/81/90/811448190.db2.gz JAGAHRWWTZIHFX-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN Cc1c(F)cc([N+](=O)[O-])cc1-n1ccc([C@@H](C)N)n1 ZINC001169236451 811457449 /nfs/dbraw/zinc/45/74/49/811457449.db2.gz DUPKVVQPBWSNDC-MRVPVSSYSA-N 0 3 264.260 2.248 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](F)C(C)(C)O ZINC001173227607 815630594 /nfs/dbraw/zinc/63/05/94/815630594.db2.gz HFRVWKAYTWKOSO-ZWNOBZJWSA-N 0 3 284.331 2.224 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCCO)o2)c1 ZINC001177076653 816518997 /nfs/dbraw/zinc/51/89/97/816518997.db2.gz OHEMRKUOBOVUMJ-UHFFFAOYSA-N 0 3 276.292 2.327 20 5 CEBDHN CC[C@@H](NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000034959138 361801453 /nfs/dbraw/zinc/80/14/53/361801453.db2.gz ZMLUNFIJYHEGHC-CYBMUJFWSA-N 0 3 251.330 2.197 20 5 CEBDHN CN(C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268098672 282119430 /nfs/dbraw/zinc/11/94/30/282119430.db2.gz BHBKMDMLWLSOPJ-NSHDSACASA-N 0 3 294.311 2.033 20 5 CEBDHN Cc1c(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449205302 282141146 /nfs/dbraw/zinc/14/11/46/282141146.db2.gz NYKIZZQDEHVYMV-LLVKDONJSA-N 0 3 288.351 2.358 20 5 CEBDHN CCCC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766563 361933325 /nfs/dbraw/zinc/93/33/25/361933325.db2.gz IBZFGDZHDUGURI-GXFFZTMASA-N 0 3 279.340 2.290 20 5 CEBDHN Cc1c(CN2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000047496265 362209344 /nfs/dbraw/zinc/20/93/44/362209344.db2.gz RJZXXXBJOIUQAL-CYBMUJFWSA-N 0 3 264.325 2.250 20 5 CEBDHN CN1CCN(CCCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000075669927 343861731 /nfs/dbraw/zinc/86/17/31/343861731.db2.gz AVYXHNLXKUGJQQ-UHFFFAOYSA-N 0 3 292.383 2.034 20 5 CEBDHN CCCCN(CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048347046 362259738 /nfs/dbraw/zinc/25/97/38/362259738.db2.gz MSKZILNHMMKDKS-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN COc1cc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1F ZINC000091482842 344164999 /nfs/dbraw/zinc/16/49/99/344164999.db2.gz VSVKJWCFXGLOMH-JTQLQIEISA-N 0 3 297.330 2.496 20 5 CEBDHN CC(C)CC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442508 347034485 /nfs/dbraw/zinc/03/44/85/347034485.db2.gz BZRFJQLFABZTIQ-CYBMUJFWSA-N 0 3 293.367 2.317 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092649514 344197422 /nfs/dbraw/zinc/19/74/22/344197422.db2.gz UCDXRLBEHPAYBV-CQSZACIVSA-N 0 3 293.367 2.426 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CCO ZINC000151948842 344423591 /nfs/dbraw/zinc/42/35/91/344423591.db2.gz VRCJDTXQFYHRQR-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN CCN1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000149925016 344415810 /nfs/dbraw/zinc/41/58/10/344415810.db2.gz CLZYNKMLXSSJMH-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000227496997 344553568 /nfs/dbraw/zinc/55/35/68/344553568.db2.gz MXNVLMBECOFMTM-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229955895 344569635 /nfs/dbraw/zinc/56/96/35/344569635.db2.gz VBEBPJOTVSEODE-GFCCVEGCSA-N 0 3 289.339 2.343 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCN1C ZINC000236849104 344598135 /nfs/dbraw/zinc/59/81/35/344598135.db2.gz CUZDHPAENTZYEL-AWEZNQCLSA-N 0 3 293.367 2.177 20 5 CEBDHN Cc1c(CNC(=O)[C@@H](N)CCC(C)C)cccc1[N+](=O)[O-] ZINC000602499160 347058616 /nfs/dbraw/zinc/05/86/16/347058616.db2.gz NNNGGAWYNGPAPP-ZDUSSCGKSA-N 0 3 293.367 2.283 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000273360216 344668668 /nfs/dbraw/zinc/66/86/68/344668668.db2.gz DAOZIOVTJFMNGK-MCIONIFRSA-N 0 3 262.309 2.313 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000252883500 344642271 /nfs/dbraw/zinc/64/22/71/344642271.db2.gz VEEMRZYLOKRYBM-KCQAQPDRSA-N 0 3 276.336 2.106 20 5 CEBDHN CC(C)N(C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602525540 347066775 /nfs/dbraw/zinc/06/67/75/347066775.db2.gz FGQHNGGWEZOCJA-UHFFFAOYSA-N 0 3 292.339 2.166 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNCC3CCOCC3)nc2c1 ZINC000602527081 347067161 /nfs/dbraw/zinc/06/71/61/347067161.db2.gz JVJULXRYCKIWQS-UHFFFAOYSA-N 0 3 291.307 2.252 20 5 CEBDHN CCC1(CC)[C@H](NCc2cn(C)nc2[N+](=O)[O-])C[C@H]1OC ZINC000602573229 347083326 /nfs/dbraw/zinc/08/33/26/347083326.db2.gz ZGBLJITXTUIODD-VXGBXAGGSA-N 0 3 296.371 2.012 20 5 CEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071833 345037565 /nfs/dbraw/zinc/03/75/65/345037565.db2.gz CWJSBEJBSXFIMO-RYUDHWBXSA-N 0 3 276.340 2.053 20 5 CEBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355279 362532610 /nfs/dbraw/zinc/53/26/10/362532610.db2.gz QSTKKXBWKLJVEN-QMMMGPOBSA-N 0 3 298.730 2.074 20 5 CEBDHN CC[C@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000590723793 345168658 /nfs/dbraw/zinc/16/86/58/345168658.db2.gz RIESHLCBCVUHBD-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN CC[C@H](NC[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507502 345640261 /nfs/dbraw/zinc/64/02/61/345640261.db2.gz FNUHZHFHSXJKEI-KBPBESRZSA-N 0 3 282.340 2.033 20 5 CEBDHN CCC(C)(C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000594594191 345654149 /nfs/dbraw/zinc/65/41/49/345654149.db2.gz KYSNHYBHGYPNHH-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CC[C@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921480 345702507 /nfs/dbraw/zinc/70/25/07/345702507.db2.gz BWPWKYDJINYIOA-YPMHNXCESA-N 0 3 280.324 2.131 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926849 345704969 /nfs/dbraw/zinc/70/49/69/345704969.db2.gz WATAIKZQVSVQLX-DMTCVQMQSA-N 0 3 292.335 2.443 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2cnc3n2CCC3)c1 ZINC000594934810 345708261 /nfs/dbraw/zinc/70/82/61/345708261.db2.gz GURORBHUBHYWLZ-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN Cc1ccc(CN[C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594967411 345719214 /nfs/dbraw/zinc/71/92/14/345719214.db2.gz YQSXNWOZCNHHIP-LLVKDONJSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1COC2(CCC2)C1 ZINC000594976734 345720812 /nfs/dbraw/zinc/72/08/12/345720812.db2.gz QENYIPPDGCVAMX-LBPRGKRZSA-N 0 3 262.309 2.396 20 5 CEBDHN C[C@H](N[C@H](CO)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595056539 345735901 /nfs/dbraw/zinc/73/59/01/345735901.db2.gz LLMYCZPFNJVZDY-IINYFYTJSA-N 0 3 264.325 2.406 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C1(CO)CC1 ZINC000595068075 345738633 /nfs/dbraw/zinc/73/86/33/345738633.db2.gz ODLMRXYGRYACGX-WDEREUQCSA-N 0 3 294.351 2.415 20 5 CEBDHN CCCC[N@H+](C)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237102 345976909 /nfs/dbraw/zinc/97/69/09/345976909.db2.gz PYDIHSNSFHTWOG-SNVBAGLBSA-N 0 3 282.344 2.228 20 5 CEBDHN CCCC[N@@H+](C)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237102 345976911 /nfs/dbraw/zinc/97/69/11/345976911.db2.gz PYDIHSNSFHTWOG-SNVBAGLBSA-N 0 3 282.344 2.228 20 5 CEBDHN CN1CCN(c2ccc([N+](=O)[O-])nc2)CC12CCCCC2 ZINC000596251730 345981236 /nfs/dbraw/zinc/98/12/36/345981236.db2.gz XSQUPIRWMSJXEJ-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN Cc1cc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])s1 ZINC000596259737 345983290 /nfs/dbraw/zinc/98/32/90/345983290.db2.gz VSQOOAFDYRNSSN-NSHDSACASA-N 0 3 299.396 2.223 20 5 CEBDHN Cc1ccc([C@@H](C)NCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000128317379 187363836 /nfs/dbraw/zinc/36/38/36/187363836.db2.gz XJFPWLUNDAAQIA-LLVKDONJSA-N 0 3 291.351 2.080 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597206160 346148120 /nfs/dbraw/zinc/14/81/20/346148120.db2.gz QUWCTHUSCFAYBO-RYUDHWBXSA-N 0 3 278.352 2.352 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000597236278 346157509 /nfs/dbraw/zinc/15/75/09/346157509.db2.gz PCZROVKOVUVQNR-SWLSCSKDSA-N 0 3 278.352 2.354 20 5 CEBDHN COC(=O)[C@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597245284 346160648 /nfs/dbraw/zinc/16/06/48/346160648.db2.gz ZVWXAZJHFXDODF-SKTRJTJASA-N 0 3 290.319 2.149 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)[C@@H]1CCCO1 ZINC000599067297 346455051 /nfs/dbraw/zinc/45/50/51/346455051.db2.gz YZRODXFVMQWABU-CQDKDKBSSA-N 0 3 294.351 2.094 20 5 CEBDHN CN(C)CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000600783938 346690035 /nfs/dbraw/zinc/69/00/35/346690035.db2.gz IDSBEUQDPZJQAP-UHFFFAOYSA-N 0 3 286.335 2.052 20 5 CEBDHN CC[C@H]1CN(C)CCCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000601188726 346781490 /nfs/dbraw/zinc/78/14/90/346781490.db2.gz MFNSWEXPFYHUFB-LBPRGKRZSA-N 0 3 295.387 2.040 20 5 CEBDHN O=[N+]([O-])c1c2ccncc2ccc1N1CC(N2CCCC2)C1 ZINC000601193590 346782988 /nfs/dbraw/zinc/78/29/88/346782988.db2.gz LUMHRCMRRBBOGE-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN CC[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602738201 347180094 /nfs/dbraw/zinc/18/00/94/347180094.db2.gz AKKAVHVTSPKTRW-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1c(CN2CC[C@@H](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602930308 347250518 /nfs/dbraw/zinc/25/05/18/347250518.db2.gz DAIPSGYENGEHJS-RISCZKNCSA-N 0 3 278.352 2.496 20 5 CEBDHN Cn1cc(CN2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602850633 347224329 /nfs/dbraw/zinc/22/43/29/347224329.db2.gz QBVGFIWJIJKRSV-ZDUSSCGKSA-N 0 3 278.356 2.483 20 5 CEBDHN C[C@H]1c2ccccc2C[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602882353 347237362 /nfs/dbraw/zinc/23/73/62/347237362.db2.gz BXISSHIOZJALFI-IINYFYTJSA-N 0 3 286.335 2.146 20 5 CEBDHN CC[C@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602981334 347265181 /nfs/dbraw/zinc/26/51/81/347265181.db2.gz BQJBABXGEROTCK-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN CC(C)[C@@H](N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220940 347313409 /nfs/dbraw/zinc/31/34/09/347313409.db2.gz XSCNVRISBZTMCQ-QMTHXVAHSA-N 0 3 289.339 2.451 20 5 CEBDHN CC(C)[C@@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603222670 347313841 /nfs/dbraw/zinc/31/38/41/347313841.db2.gz BFDBRIGCDVVXHN-CYBMUJFWSA-N 0 3 293.302 2.030 20 5 CEBDHN Cc1cc(NC[C@@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418190 347365194 /nfs/dbraw/zinc/36/51/94/347365194.db2.gz CQNNMXUQMCTDFT-LLVKDONJSA-N 0 3 267.354 2.020 20 5 CEBDHN CC[C@H](CNc1cccnc1[N+](=O)[O-])N1CCCC1 ZINC000603854264 347392177 /nfs/dbraw/zinc/39/21/77/347392177.db2.gz ZAGBXTXCJJXGNK-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CN1CCN(CCCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611411452 347775293 /nfs/dbraw/zinc/77/52/93/347775293.db2.gz AQWOZZMDAOLPLD-UHFFFAOYSA-N 0 3 298.412 2.096 20 5 CEBDHN CN1CC=C(CNc2sccc2[N+](=O)[O-])CC1 ZINC000611415485 347777036 /nfs/dbraw/zinc/77/70/36/347777036.db2.gz NXXCNKRJBRBBDN-UHFFFAOYSA-N 0 3 253.327 2.330 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2CN(C)C)n1 ZINC000611617140 347799597 /nfs/dbraw/zinc/79/95/97/347799597.db2.gz JNGVUJFVDMWWBE-LBPRGKRZSA-N 0 3 278.356 2.137 20 5 CEBDHN Cc1c(NC(=O)CCN2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611517538 347789221 /nfs/dbraw/zinc/78/92/21/347789221.db2.gz MRHJAYFKEQKIBS-UHFFFAOYSA-N 0 3 289.335 2.494 20 5 CEBDHN CCNC(=O)[C@H](NCc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000339430865 215163550 /nfs/dbraw/zinc/16/35/50/215163550.db2.gz CGDNBSQIWPMJCN-CQSZACIVSA-N 0 3 293.367 2.154 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000615034177 348270130 /nfs/dbraw/zinc/27/01/30/348270130.db2.gz CSYDGRJTTRUGEO-NSHDSACASA-N 0 3 292.339 2.119 20 5 CEBDHN COCC(C)(C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000066996079 362899347 /nfs/dbraw/zinc/89/93/47/362899347.db2.gz KNUBIYUTWYOQIF-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN COc1cc(N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000615496348 348336458 /nfs/dbraw/zinc/33/64/58/348336458.db2.gz YMXFBFBAZNXQDA-GHMZBOCLSA-N 0 3 279.340 2.132 20 5 CEBDHN COc1ccc(CN(C)C2CC(OC)C2)cc1[N+](=O)[O-] ZINC000352220762 219369855 /nfs/dbraw/zinc/36/98/55/219369855.db2.gz JOOPCEFPWNUOQA-UHFFFAOYSA-N 0 3 280.324 2.213 20 5 CEBDHN C[C@H](NC[C@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271458977 191149858 /nfs/dbraw/zinc/14/98/58/191149858.db2.gz FSIAPDURRFKWCE-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154134481 188125188 /nfs/dbraw/zinc/12/51/88/188125188.db2.gz VEYZDFSFZGTODM-SECBINFHSA-N 0 3 299.758 2.062 20 5 CEBDHN Cc1c([C@H](C)NCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000155690834 188221226 /nfs/dbraw/zinc/22/12/26/188221226.db2.gz FCSRQGDHJDXDEW-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@H](Cn1ccnc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743054 299216354 /nfs/dbraw/zinc/21/63/54/299216354.db2.gz FNJKJTHCRVLLFE-RISCZKNCSA-N 0 3 286.335 2.457 20 5 CEBDHN Cc1ccc(CN[C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338481565 366378051 /nfs/dbraw/zinc/37/80/51/366378051.db2.gz ZFBAWFWRTMMJHL-ZDUSSCGKSA-N 0 3 291.351 2.050 20 5 CEBDHN C[C@H](NCC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000094259807 299279225 /nfs/dbraw/zinc/27/92/25/299279225.db2.gz YGDCWGWGHJRYTC-JTQLQIEISA-N 0 3 250.298 2.282 20 5 CEBDHN CCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025771 366433110 /nfs/dbraw/zinc/43/31/10/366433110.db2.gz CPLGLAYMOWJHGO-LBPRGKRZSA-N 0 3 250.298 2.208 20 5 CEBDHN C[C@@H](NC(=O)[C@]1(C)CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000136164558 366500606 /nfs/dbraw/zinc/50/06/06/366500606.db2.gz AWTPEDVYAMLEAQ-ABAIWWIYSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890096 366528609 /nfs/dbraw/zinc/52/86/09/366528609.db2.gz VEEJPWXJLXZWLH-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN CN(C)CCN(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000297600480 200238389 /nfs/dbraw/zinc/23/83/89/200238389.db2.gz UUPPYDAQDXZXRI-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN Cc1nc(N(C)[C@@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150902939 366604393 /nfs/dbraw/zinc/60/43/93/366604393.db2.gz GSJCGHQFAMUTLV-ZYHUDNBSSA-N 0 3 278.356 2.217 20 5 CEBDHN CCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236980889 370671012 /nfs/dbraw/zinc/67/10/12/370671012.db2.gz RJEGIFBLXKWDTE-CMPLNLGQSA-N 0 3 279.340 2.208 20 5 CEBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339623155 366710886 /nfs/dbraw/zinc/71/08/86/366710886.db2.gz XILIECGNXRIABH-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000181560201 189300612 /nfs/dbraw/zinc/30/06/12/189300612.db2.gz QKWCJUYTHZNGLH-ZDUSSCGKSA-N 0 3 264.325 2.418 20 5 CEBDHN COCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430961 363772854 /nfs/dbraw/zinc/77/28/54/363772854.db2.gz LTNTVPCWSLDVHQ-UHFFFAOYSA-N 0 3 258.705 2.374 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342323503 216311700 /nfs/dbraw/zinc/31/17/00/216311700.db2.gz HTWVYRIMUGMRFT-GARJFASQSA-N 0 3 252.314 2.323 20 5 CEBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301551216 201064907 /nfs/dbraw/zinc/06/49/07/201064907.db2.gz QQSNCZHJDGXURE-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154339242 366769146 /nfs/dbraw/zinc/76/91/46/366769146.db2.gz OHAWVBNLFIYANM-OPQQBVKSSA-N 0 3 284.381 2.358 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2ccccn2)cc1 ZINC000020049616 361576345 /nfs/dbraw/zinc/57/63/45/361576345.db2.gz RLAUWZZDXJGFBD-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN Cc1ccc([C@H](C)NCCN(C)C)cc1[N+](=O)[O-] ZINC000020083677 361577383 /nfs/dbraw/zinc/57/73/83/361577383.db2.gz QDYADAAIGVCOFR-NSHDSACASA-N 0 3 251.330 2.115 20 5 CEBDHN COc1cc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184787316 189396100 /nfs/dbraw/zinc/39/61/00/189396100.db2.gz DWMFOXPJGOGXDF-UHFFFAOYSA-N 0 3 297.330 2.273 20 5 CEBDHN CCN1CCN(CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000301999433 201292229 /nfs/dbraw/zinc/29/22/29/201292229.db2.gz RBYRZNOOIZYKEK-UHFFFAOYSA-N 0 3 298.412 2.096 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@@H](O)C1 ZINC000188850236 189515317 /nfs/dbraw/zinc/51/53/17/189515317.db2.gz SQDYMKBYJHFPAS-SMDDNHRTSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@H](CCO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000097441331 364500811 /nfs/dbraw/zinc/50/08/11/364500811.db2.gz HRDLJXKVBGJXFS-SECBINFHSA-N 0 3 272.732 2.356 20 5 CEBDHN COCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112355772 364798347 /nfs/dbraw/zinc/79/83/47/364798347.db2.gz JEXWFMGPYFOOPB-UHFFFAOYSA-N 0 3 278.352 2.496 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000112309572 364789700 /nfs/dbraw/zinc/78/97/00/364789700.db2.gz AHKQHMUISGDAAD-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000275537197 193070195 /nfs/dbraw/zinc/07/01/95/193070195.db2.gz YCIAWRRZSNSAAN-AWEZNQCLSA-N 0 3 294.351 2.066 20 5 CEBDHN CCOC(C)(C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000159177152 366885632 /nfs/dbraw/zinc/88/56/32/366885632.db2.gz AOCCFNKOOYBPTD-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN Cc1c([C@@H](C)NCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000160618562 367022217 /nfs/dbraw/zinc/02/22/17/367022217.db2.gz KUZLTLQMVNETPD-SNVBAGLBSA-N 0 3 252.314 2.325 20 5 CEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597922469 367209707 /nfs/dbraw/zinc/20/97/07/367209707.db2.gz DCZQHXMXPNGCFJ-LBPRGKRZSA-N 0 3 291.351 2.197 20 5 CEBDHN Cc1ccc(CNCCc2cnccn2)cc1[N+](=O)[O-] ZINC000341260832 367253032 /nfs/dbraw/zinc/25/30/32/367253032.db2.gz CQFQVASMRVCICW-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343425706 367806974 /nfs/dbraw/zinc/80/69/74/367806974.db2.gz FBBUHQBDHPWUBA-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343520127 367859151 /nfs/dbraw/zinc/85/91/51/367859151.db2.gz LFTFQYMAEVCEEY-SMDDNHRTSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@H](N[C@@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602355 299389210 /nfs/dbraw/zinc/38/92/10/299389210.db2.gz VRTHLVWJKIQDII-TVQRCGJNSA-N 0 3 279.340 2.395 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338683 368642532 /nfs/dbraw/zinc/64/25/32/368642532.db2.gz RTZLZVDSFJFWJQ-PAPZTLJPSA-N 0 3 288.347 2.311 20 5 CEBDHN CC(C)C[C@@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000185324118 368787285 /nfs/dbraw/zinc/78/72/85/368787285.db2.gz RYGOAJPBAXFBEU-AWEZNQCLSA-N 0 3 266.341 2.434 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@H]1CCO ZINC000348161421 368927653 /nfs/dbraw/zinc/92/76/53/368927653.db2.gz NDDXXCWYESRASM-SMDDNHRTSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000187415783 369155963 /nfs/dbraw/zinc/15/59/63/369155963.db2.gz STNMFZFELGQREV-UHFFFAOYSA-N 0 3 292.339 2.153 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCN(C)C ZINC000348933665 369203077 /nfs/dbraw/zinc/20/30/77/369203077.db2.gz JQHAKUJCHNYWOD-RAXLEYEMSA-N 0 3 277.368 2.492 20 5 CEBDHN CCC[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000226252004 189770396 /nfs/dbraw/zinc/77/03/96/189770396.db2.gz XLASMBIUMWRFKF-ZDUSSCGKSA-N 0 3 252.314 2.236 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@](C)(O)C1CC1 ZINC000350087082 369501763 /nfs/dbraw/zinc/50/17/63/369501763.db2.gz DCGHCVMGTNLEDS-CQSZACIVSA-N 0 3 264.325 2.154 20 5 CEBDHN CCCN1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000190319761 369612794 /nfs/dbraw/zinc/61/27/94/369612794.db2.gz PDBLWAPQAHVTET-VIFPVBQESA-N 0 3 270.358 2.195 20 5 CEBDHN C[C@H]1CC(O)C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000191284785 369698093 /nfs/dbraw/zinc/69/80/93/369698093.db2.gz LETHTTKMEPVOJE-RYUDHWBXSA-N 0 3 294.351 2.207 20 5 CEBDHN C[C@H]1CCN(C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000352695694 369841725 /nfs/dbraw/zinc/84/17/25/369841725.db2.gz ZTOCNBAVCYZOMV-NSHDSACASA-N 0 3 281.331 2.260 20 5 CEBDHN C[C@H](O)CCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352571192 369790470 /nfs/dbraw/zinc/79/04/70/369790470.db2.gz RHCVTJCIWUAQKU-LBPRGKRZSA-N 0 3 266.341 2.230 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CSC[C@H]1C ZINC000352791826 369879345 /nfs/dbraw/zinc/87/93/45/369879345.db2.gz JFLUUHBCBCISKJ-BXKDBHETSA-N 0 3 282.365 2.445 20 5 CEBDHN C[C@@H]1CCN(C)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000352695692 369842339 /nfs/dbraw/zinc/84/23/39/369842339.db2.gz ZTOCNBAVCYZOMV-LLVKDONJSA-N 0 3 281.331 2.260 20 5 CEBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000193502105 369949160 /nfs/dbraw/zinc/94/91/60/369949160.db2.gz OZWKUIUUUSPTOT-NWDGAFQWSA-N 0 3 278.308 2.026 20 5 CEBDHN C[C@@H](C[S@](C)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280385 369917505 /nfs/dbraw/zinc/91/75/05/369917505.db2.gz XGLVGDKKHRWUMV-NOPHNCEQSA-N 0 3 296.392 2.329 20 5 CEBDHN CC(C)[C@](C)(CO)NCc1ccccc1[N+](=O)[O-] ZINC000352894885 369938373 /nfs/dbraw/zinc/93/83/73/369938373.db2.gz UFKYPZWZDSTWIL-ZDUSSCGKSA-N 0 3 252.314 2.091 20 5 CEBDHN CC(C)[C@@](C)(CO)NCc1ccccc1[N+](=O)[O-] ZINC000352894883 369939060 /nfs/dbraw/zinc/93/90/60/369939060.db2.gz UFKYPZWZDSTWIL-CYBMUJFWSA-N 0 3 252.314 2.091 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194604514 370057265 /nfs/dbraw/zinc/05/72/65/370057265.db2.gz HLYXXXICUNYRMG-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](CO)CCCNCc1ccccc1[N+](=O)[O-] ZINC000230157907 370442509 /nfs/dbraw/zinc/44/25/09/370442509.db2.gz IZUNMEOCHYGMSA-LLVKDONJSA-N 0 3 252.314 2.093 20 5 CEBDHN CO[C@@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884734 370497453 /nfs/dbraw/zinc/49/74/53/370497453.db2.gz ULFZLAURGYDQFL-MNOVXSKESA-N 0 3 252.314 2.416 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CN(CC1CC1)CC1CCC1 ZINC000361554853 371918248 /nfs/dbraw/zinc/91/82/48/371918248.db2.gz VPHYFFNLYTUBHS-UHFFFAOYSA-N 0 3 278.356 2.340 20 5 CEBDHN COC(=O)[C@H](C)CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742128 372050799 /nfs/dbraw/zinc/05/07/99/372050799.db2.gz NXZHZWBGGJJTSN-GHMZBOCLSA-N 0 3 280.324 2.397 20 5 CEBDHN CCO[C@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000362027771 372178707 /nfs/dbraw/zinc/17/87/07/372178707.db2.gz OKTYNALTJHEVJA-ZFWWWQNUSA-N 0 3 294.351 2.187 20 5 CEBDHN Cc1ccc(CN2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000269368611 372431669 /nfs/dbraw/zinc/43/16/69/372431669.db2.gz SCLPXGRKSWAFGW-UHFFFAOYSA-N 0 3 263.341 2.041 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000269662106 372523645 /nfs/dbraw/zinc/52/36/45/372523645.db2.gz QKYJUWMBNVXLLX-UMVBOHGHSA-N 0 3 276.336 2.360 20 5 CEBDHN C[C@@H]1CCC[C@H](CO)N1Cc1ccccc1[N+](=O)[O-] ZINC000269720823 372546811 /nfs/dbraw/zinc/54/68/11/372546811.db2.gz UKSRJUOJJUXYQQ-DGCLKSJQSA-N 0 3 264.325 2.330 20 5 CEBDHN CC(C)(C)C1=CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000270355882 372753394 /nfs/dbraw/zinc/75/33/94/372753394.db2.gz IZDZKUQVHZMVHT-UHFFFAOYSA-N 0 3 278.356 2.470 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000369368962 373397426 /nfs/dbraw/zinc/39/74/26/373397426.db2.gz DHEBQKJLKBJKPB-NNQSOWQGSA-N 0 3 276.336 2.188 20 5 CEBDHN COC[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648130 373599519 /nfs/dbraw/zinc/59/95/19/373599519.db2.gz DUDSXZLJEONSNV-VXGBXAGGSA-N 0 3 282.340 2.215 20 5 CEBDHN CO[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000371730842 373961571 /nfs/dbraw/zinc/96/15/71/373961571.db2.gz AIDOYFWGHYNAAN-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN CCSCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373273797 374313026 /nfs/dbraw/zinc/31/30/26/374313026.db2.gz KGWFEUCFRIYWNV-UHFFFAOYSA-N 0 3 284.385 2.181 20 5 CEBDHN CCOc1cc(CN2CC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000276963998 374361245 /nfs/dbraw/zinc/36/12/45/374361245.db2.gz VVLZTNPWQGWLBZ-AAEUAGOBSA-N 0 3 294.351 2.196 20 5 CEBDHN CC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000279737944 374972735 /nfs/dbraw/zinc/97/27/35/374972735.db2.gz OJKDBMYFYGFRDK-UHFFFAOYSA-N 0 3 284.385 2.009 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770644 375244442 /nfs/dbraw/zinc/24/44/42/375244442.db2.gz ARSGAJVTGQDIKC-JSGCOSHPSA-N 0 3 264.325 2.188 20 5 CEBDHN COc1ccc(CN(C)[C@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000382819552 375194153 /nfs/dbraw/zinc/19/41/53/375194153.db2.gz WPEYFUWNLYZYJM-SNVBAGLBSA-N 0 3 282.340 2.195 20 5 CEBDHN COC(=O)[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000412103596 375541875 /nfs/dbraw/zinc/54/18/75/375541875.db2.gz LJHNZHUJMTXGNU-OAHLLOKOSA-N 0 3 292.335 2.370 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCC1OCCCO1 ZINC000282556239 375516220 /nfs/dbraw/zinc/51/62/20/375516220.db2.gz XVFGNCKRJXESDF-UHFFFAOYSA-N 0 3 294.351 2.222 20 5 CEBDHN C[C@@H](NC[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158080 375819864 /nfs/dbraw/zinc/81/98/64/375819864.db2.gz PQZVDAXCMWVWSV-MWLCHTKSSA-N 0 3 265.313 2.007 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000286193939 375869123 /nfs/dbraw/zinc/86/91/23/375869123.db2.gz BHJWOUYSICKYOV-LLVKDONJSA-N 0 3 279.340 2.134 20 5 CEBDHN CCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286487984 375970469 /nfs/dbraw/zinc/97/04/69/375970469.db2.gz LPRXDNHNJKBIJG-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN CC[C@H](CN(C)CCc1ccccc1[N+](=O)[O-])OC ZINC000419266252 376418365 /nfs/dbraw/zinc/41/83/65/376418365.db2.gz GAWVHCNIGXTJQE-CYBMUJFWSA-N 0 3 266.341 2.494 20 5 CEBDHN COCCN1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263717234 190074869 /nfs/dbraw/zinc/07/48/69/190074869.db2.gz JJXRJJYEKWAZPB-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN CC(C)N(CCn1cncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000263995396 190088209 /nfs/dbraw/zinc/08/82/09/190088209.db2.gz FDBYOUJBWPJFEB-UHFFFAOYSA-N 0 3 289.339 2.097 20 5 CEBDHN C[C@@H](NCCc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000289990118 376592533 /nfs/dbraw/zinc/59/25/33/376592533.db2.gz YJXYWBUMGPVAAK-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290831884 376945121 /nfs/dbraw/zinc/94/51/21/376945121.db2.gz URXBELLAUQPDTA-KOLCDFICSA-N 0 3 276.340 2.214 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCNC[C@H]1C(F)F ZINC000563135548 377101487 /nfs/dbraw/zinc/10/14/87/377101487.db2.gz MNWIAYYIXFOHHC-DXTPNHAXSA-N 0 3 297.305 2.147 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000563421690 377219566 /nfs/dbraw/zinc/21/95/66/377219566.db2.gz PWSWGWOGUNYWHE-WDEREUQCSA-N 0 3 279.340 2.498 20 5 CEBDHN Cc1ccnc(N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292730433 377266597 /nfs/dbraw/zinc/26/65/97/377266597.db2.gz IDPQUQIIGWERQD-OAHLLOKOSA-N 0 3 290.367 2.220 20 5 CEBDHN CCOCC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000293148357 377446043 /nfs/dbraw/zinc/44/60/43/377446043.db2.gz DNIXFHKDIVKMOC-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN COC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000265803884 190208144 /nfs/dbraw/zinc/20/81/44/190208144.db2.gz OLFASGDNNIBSSG-LBPRGKRZSA-N 0 3 264.325 2.372 20 5 CEBDHN Cc1c([C@H](C)NC[C@H]2CC[C@@H](CO)O2)cccc1[N+](=O)[O-] ZINC000293788098 377758409 /nfs/dbraw/zinc/75/84/09/377758409.db2.gz UCQUBAZFAHGJFV-XQQFMLRXSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1nn(CCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000295260139 378075556 /nfs/dbraw/zinc/07/55/56/378075556.db2.gz GURHBCWZTDUZIY-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN C[C@H](CC(=O)N(C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296147262 378432264 /nfs/dbraw/zinc/43/22/64/378432264.db2.gz VQBHAWUTUVMAQY-MNOVXSKESA-N 0 3 279.340 2.112 20 5 CEBDHN Cc1nc(N(C)C2CCN(C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296556483 378575127 /nfs/dbraw/zinc/57/51/27/378575127.db2.gz PEMROECJYFSPNZ-UHFFFAOYSA-N 0 3 293.371 2.002 20 5 CEBDHN O=C(CCN1CC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453012185 378772748 /nfs/dbraw/zinc/77/27/48/378772748.db2.gz IUDMAJPPHZVFGT-CYBMUJFWSA-N 0 3 289.335 2.408 20 5 CEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299235426 378938812 /nfs/dbraw/zinc/93/88/12/378938812.db2.gz JARFEYJWHMVRNZ-UHFFFAOYSA-N 0 3 279.340 2.118 20 5 CEBDHN CNC(=O)CCN(C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347356022 218203358 /nfs/dbraw/zinc/20/33/58/218203358.db2.gz KJOZRNBANJPDSZ-FMIVXFBMSA-N 0 3 291.351 2.066 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(C)C)C2)c1 ZINC000266402039 190254557 /nfs/dbraw/zinc/25/45/57/190254557.db2.gz PNCPGXQCIOJFET-NSHDSACASA-N 0 3 279.340 2.498 20 5 CEBDHN COCCN1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268024411 190370524 /nfs/dbraw/zinc/37/05/24/190370524.db2.gz IVQFMNNUPUKXJV-LBPRGKRZSA-N 0 3 279.340 2.036 20 5 CEBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167086 190382817 /nfs/dbraw/zinc/38/28/17/190382817.db2.gz PTMRZLGBGBUCSE-GWCFXTLKSA-N 0 3 261.325 2.489 20 5 CEBDHN CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000268357558 190397226 /nfs/dbraw/zinc/39/72/26/190397226.db2.gz NTCCYAFOYNLMSP-CQSZACIVSA-N 0 3 293.367 2.139 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000334042521 380220783 /nfs/dbraw/zinc/22/07/83/380220783.db2.gz REQUCVNZVXBSCM-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268882306 285115675 /nfs/dbraw/zinc/11/56/75/285115675.db2.gz YBPRTEKOKSLGCQ-ZDUSSCGKSA-N 0 3 272.308 2.485 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@@H](N2CCCCC2)C1 ZINC000363395761 285165118 /nfs/dbraw/zinc/16/51/18/285165118.db2.gz MVRPSQCSPSSJCX-CYBMUJFWSA-N 0 3 290.367 2.445 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[C@H]1O ZINC000304284159 394482896 /nfs/dbraw/zinc/48/28/96/394482896.db2.gz FIAMZHQAQRDCPE-SMDDNHRTSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)CN(C)C1CC1 ZINC000315043469 394544502 /nfs/dbraw/zinc/54/45/02/394544502.db2.gz XVZKVDBRNOUMBO-ZDUSSCGKSA-N 0 3 294.351 2.046 20 5 CEBDHN COc1cc(CN[C@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000271905728 394765596 /nfs/dbraw/zinc/76/55/96/394765596.db2.gz BVYZYWQLJWHIFJ-JTQLQIEISA-N 0 3 298.364 2.207 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CNCCC1(F)F ZINC000414995489 394841817 /nfs/dbraw/zinc/84/18/17/394841817.db2.gz FQCRRWQLTLXXMF-LQPUYASZSA-N 0 3 297.305 2.195 20 5 CEBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590227 395024796 /nfs/dbraw/zinc/02/47/96/395024796.db2.gz YXCOFRIPGPNXCO-VHSXEESVSA-N 0 3 282.369 2.114 20 5 CEBDHN COc1ccc(CN[C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285819854 394968795 /nfs/dbraw/zinc/96/87/95/394968795.db2.gz GTAHDQBMYKAKMZ-ONGXEEELSA-N 0 3 282.365 2.445 20 5 CEBDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168520868 395088432 /nfs/dbraw/zinc/08/84/32/395088432.db2.gz PPAHYBISQVJMBD-AUSHCKSDSA-N 0 3 270.354 2.012 20 5 CEBDHN CN1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000375034503 395089947 /nfs/dbraw/zinc/08/99/47/395089947.db2.gz ARJCYQPIQUTOIN-GXFFZTMASA-N 0 3 279.315 2.264 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC1(C)C ZINC000430207649 395163384 /nfs/dbraw/zinc/16/33/84/395163384.db2.gz NJQPXXLEAPPVSO-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN COc1cc(CN(C)CCCCCO)ccc1[N+](=O)[O-] ZINC000434678142 395322034 /nfs/dbraw/zinc/32/20/34/395322034.db2.gz CLNMSVXDAJKKFO-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN C[C@@H](N[C@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935537 395265071 /nfs/dbraw/zinc/26/50/71/395265071.db2.gz BORGGFCDMOTAHP-CKYFFXLPSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@H](N[C@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935542 395266548 /nfs/dbraw/zinc/26/65/48/395266548.db2.gz BORGGFCDMOTAHP-JFGNBEQYSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1c(CN[C@@H]2CO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946519 395266798 /nfs/dbraw/zinc/26/67/98/395266798.db2.gz JETRNVAUQIRKMW-SKDRFNHKSA-N 0 3 250.298 2.170 20 5 CEBDHN COc1cccc(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420641073 395398890 /nfs/dbraw/zinc/39/88/90/395398890.db2.gz UICCGNHAPBBCCG-LLVKDONJSA-N 0 3 279.340 2.134 20 5 CEBDHN Cc1c(CN2CCNC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420328940 395331190 /nfs/dbraw/zinc/33/11/90/395331190.db2.gz ILRHAGDMRFHQFR-AWEZNQCLSA-N 0 3 281.331 2.037 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCCOCC3)nc2c1 ZINC000446852309 395500558 /nfs/dbraw/zinc/50/05/58/395500558.db2.gz JELHZKHJKKUOJS-JTQLQIEISA-N 0 3 290.323 2.130 20 5 CEBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000449508841 395551932 /nfs/dbraw/zinc/55/19/32/395551932.db2.gz HZGCZLMXRQNUFG-KGLIPLIRSA-N 0 3 292.335 2.416 20 5 CEBDHN C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596120265 395666539 /nfs/dbraw/zinc/66/65/39/395666539.db2.gz JCPIGCOTZDCSIT-QWRGUYRKSA-N 0 3 294.355 2.370 20 5 CEBDHN COc1ccc(CN[C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000221372136 153313191 /nfs/dbraw/zinc/31/31/91/153313191.db2.gz CLGCVNUPUXOJAP-AWEZNQCLSA-N 0 3 280.324 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367798322 156238138 /nfs/dbraw/zinc/23/81/38/156238138.db2.gz QBIPUWGNPUIFKV-RABLLNBGSA-N 0 3 276.336 2.134 20 5 CEBDHN C[C@H]1CCOCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000374984140 157034069 /nfs/dbraw/zinc/03/40/69/157034069.db2.gz WRARRPCUTOUAGE-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCC2)CC1 ZINC000375754918 157136237 /nfs/dbraw/zinc/13/62/37/157136237.db2.gz QCCFBRVLFLXOCG-UHFFFAOYSA-N 0 3 291.351 2.023 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000171824132 162390865 /nfs/dbraw/zinc/39/08/65/162390865.db2.gz UZNQNTYVUZYABP-UHFFFAOYSA-N 0 3 264.325 2.453 20 5 CEBDHN CC[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196069 171061296 /nfs/dbraw/zinc/06/12/96/171061296.db2.gz OWSRVUJAROWMOW-CMPLNLGQSA-N 0 3 252.314 2.325 20 5 CEBDHN CCC[C@@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471734 196294835 /nfs/dbraw/zinc/29/48/35/196294835.db2.gz HOENNODEJBGWLC-HUUCEWRRSA-N 0 3 294.351 2.177 20 5 CEBDHN COc1ccc(CN[C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000285819827 196410543 /nfs/dbraw/zinc/41/05/43/196410543.db2.gz GTAHDQBMYKAKMZ-GXSJLCMTSA-N 0 3 282.365 2.445 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000038392890 174141089 /nfs/dbraw/zinc/14/10/89/174141089.db2.gz ACGFPZIJPPEUEQ-UHFFFAOYSA-N 0 3 250.298 2.206 20 5 CEBDHN C[C@@H](N[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672682 174370347 /nfs/dbraw/zinc/37/03/47/174370347.db2.gz QEABEDVAOVTKEP-YPMHNXCESA-N 0 3 263.341 2.340 20 5 CEBDHN Cc1ccc(CN[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672918 174371139 /nfs/dbraw/zinc/37/11/39/174371139.db2.gz RBRYUFNVTWBGJX-ZDUSSCGKSA-N 0 3 263.341 2.087 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(CO)CC2)cc1 ZINC000055903297 175582507 /nfs/dbraw/zinc/58/25/07/175582507.db2.gz VUMOUIAITKRMDG-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN CN1CC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000517888721 260314664 /nfs/dbraw/zinc/31/46/64/260314664.db2.gz IXKQBCGXHPILQU-DOMZBBRYSA-N 0 3 298.346 2.283 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390531 263261091 /nfs/dbraw/zinc/26/10/91/263261091.db2.gz YFICBOOAFUGZMZ-GXSJLCMTSA-N 0 3 279.340 2.078 20 5 CEBDHN CO[C@H](CN(C)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000425448367 264325861 /nfs/dbraw/zinc/32/58/61/264325861.db2.gz UXOISSQRVPGXAA-OAHLLOKOSA-N 0 3 278.352 2.494 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395213155 270346598 /nfs/dbraw/zinc/34/65/98/270346598.db2.gz QOKOHWMXUPKBPV-OLZOCXBDSA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1ccc(CN2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425360974 271160014 /nfs/dbraw/zinc/16/00/14/271160014.db2.gz WSTGJROCPUSCRX-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)CC(F)F ZINC000428641605 271283741 /nfs/dbraw/zinc/28/37/41/271283741.db2.gz MNTJQOHHRPFSHK-MZBZXASESA-N 0 3 286.278 2.214 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000430205995 271363784 /nfs/dbraw/zinc/36/37/84/271363784.db2.gz VIHRWPMNNPQJDR-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CCN(C)C1CC1 ZINC000430205188 271363831 /nfs/dbraw/zinc/36/38/31/271363831.db2.gz IYYQRESFEUUZQL-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000338687371 274118681 /nfs/dbraw/zinc/11/86/81/274118681.db2.gz INGYLXMQRXELKX-CMPLNLGQSA-N 0 3 279.340 2.498 20 5 CEBDHN CCN(C[C@H](C)O)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194206 276137752 /nfs/dbraw/zinc/13/77/52/276137752.db2.gz IRDNYNOIEUMRQL-QWRGUYRKSA-N 0 3 252.314 2.359 20 5 CEBDHN C[C@H](C[C@H](C)O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000252767597 278218155 /nfs/dbraw/zinc/21/81/55/278218155.db2.gz RBTBOMIVXXZFTA-OUAUKWLOSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230196 279360442 /nfs/dbraw/zinc/36/04/42/279360442.db2.gz ZXWGHRUZMHQZBQ-RNCFNFMXSA-N 0 3 264.325 2.288 20 5 CEBDHN CN(CCN1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000089898294 279703466 /nfs/dbraw/zinc/70/34/66/279703466.db2.gz IKNAPFGYVJOIPL-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN CN(C)CCSCCOc1cccc([N+](=O)[O-])c1 ZINC000446571290 281766932 /nfs/dbraw/zinc/76/69/32/281766932.db2.gz CQWINGFJRUPSAW-UHFFFAOYSA-N 0 3 270.354 2.268 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459794115 290242644 /nfs/dbraw/zinc/24/26/44/290242644.db2.gz LYWKDSSUYKVXMO-STQMWFEESA-N 0 3 264.350 2.327 20 5 CEBDHN Cc1nc(N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000471723224 290279780 /nfs/dbraw/zinc/27/97/80/290279780.db2.gz DGRWJYMZHNBYGO-JOYOIKCWSA-N 0 3 276.340 2.193 20 5 CEBDHN CC(C)[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487999427 290373578 /nfs/dbraw/zinc/37/35/78/290373578.db2.gz AIOIVFFOOZHGFT-MRXNPFEDSA-N 0 3 291.395 2.409 20 5 CEBDHN C[C@H]1C[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343585 290391680 /nfs/dbraw/zinc/39/16/80/290391680.db2.gz GCUGQPXMFIGSHM-QWHCGFSZSA-N 0 3 275.352 2.373 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)CCN(C)C1CC1 ZINC000186769246 295254953 /nfs/dbraw/zinc/25/49/53/295254953.db2.gz VTILNGVDRJEPOB-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN Cn1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000536534023 298197103 /nfs/dbraw/zinc/19/71/03/298197103.db2.gz STJGETSMGBENLM-UHFFFAOYSA-N 0 3 275.308 2.102 20 5 CEBDHN Cc1cc(N2CCNC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000562832556 298715633 /nfs/dbraw/zinc/71/56/33/298715633.db2.gz VGRHGPSFCAKFRV-CYBMUJFWSA-N 0 3 267.304 2.041 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cncnc3)c2c1 ZINC000567424232 299062594 /nfs/dbraw/zinc/06/25/94/299062594.db2.gz XBEAGOCSRUFBMG-UHFFFAOYSA-N 0 3 297.318 2.198 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000184310399 301788152 /nfs/dbraw/zinc/78/81/52/301788152.db2.gz FQIDZTPKKKVUQU-FDMGOTLNSA-N 0 3 284.381 2.321 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000573014976 314136502 /nfs/dbraw/zinc/13/65/02/314136502.db2.gz JJKNGJVMSWMCCR-LBPRGKRZSA-N 0 3 291.351 2.278 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137162 314209263 /nfs/dbraw/zinc/20/92/63/314209263.db2.gz QVHGKLBHTQSQRD-GHMZBOCLSA-N 0 3 279.340 2.078 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000577469112 314380370 /nfs/dbraw/zinc/38/03/70/314380370.db2.gz HAAGLAHLFXACSB-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN COC(C)(C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183504960 321718782 /nfs/dbraw/zinc/71/87/82/321718782.db2.gz OKILORJHHJNAMO-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000387339676 321877645 /nfs/dbraw/zinc/87/76/45/321877645.db2.gz DZSMOHNSNCUYAZ-KWBADKCTSA-N 0 3 252.314 2.405 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@H](C)C1 ZINC000560689689 327336767 /nfs/dbraw/zinc/33/67/67/327336767.db2.gz ZVFCYCIDTXGODE-QWRGUYRKSA-N 0 3 266.345 2.078 20 5 CEBDHN COc1cc(CNC(C)(C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000356260269 533867314 /nfs/dbraw/zinc/86/73/14/533867314.db2.gz VJOSRIGAKFEOPL-UHFFFAOYSA-N 0 3 282.340 2.243 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1C1CC1 ZINC000357518833 533969333 /nfs/dbraw/zinc/96/93/33/533969333.db2.gz AIGSXHWGAJNBOB-KOLCDFICSA-N 0 3 262.313 2.027 20 5 CEBDHN CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000052812541 521649704 /nfs/dbraw/zinc/64/97/04/521649704.db2.gz HNXWBCJPOLFWMH-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000050444017 524740471 /nfs/dbraw/zinc/74/04/71/524740471.db2.gz QEIDWOJKYRMAAB-VIFPVBQESA-N 0 3 271.748 2.288 20 5 CEBDHN CC1(O)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177340058 528043299 /nfs/dbraw/zinc/04/32/99/528043299.db2.gz YQCKDMIAGXJVDN-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN CC[C@@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132821840 529224109 /nfs/dbraw/zinc/22/41/09/529224109.db2.gz PEMDYFVXPWOCGH-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1 ZINC000748243233 574438027 /nfs/dbraw/zinc/43/80/27/574438027.db2.gz WGRTWWIVGVKPMV-AWEZNQCLSA-N 0 3 280.324 2.416 20 5 CEBDHN CC(C)OCC(=N)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000728910204 574473563 /nfs/dbraw/zinc/47/35/63/574473563.db2.gz IZHCKMXYDIHING-UHFFFAOYSA-N 0 3 285.275 2.157 20 5 CEBDHN CN(c1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000732054542 574611036 /nfs/dbraw/zinc/61/10/36/574611036.db2.gz YYZXOHDAUSIBQD-LBPRGKRZSA-N 0 3 279.315 2.407 20 5 CEBDHN Cc1nn(CN2CC[C@H](C)[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941382 575301930 /nfs/dbraw/zinc/30/19/30/575301930.db2.gz NJFVEIRZDLTJSU-ONGXEEELSA-N 0 3 289.339 2.336 20 5 CEBDHN CC(COC(=O)c1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813102173 623017901 /nfs/dbraw/zinc/01/79/01/623017901.db2.gz OPTHDLBCGNKLLA-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000934038619 624184283 /nfs/dbraw/zinc/18/42/83/624184283.db2.gz FEPFOQBYXJIZGM-NILFDRSVSA-N 0 3 294.351 2.358 20 5 CEBDHN CC(=O)OC[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621186 627317704 /nfs/dbraw/zinc/31/77/04/627317704.db2.gz HMEDHDLAFNRGTO-VHSXEESVSA-N 0 3 266.297 2.197 20 5 CEBDHN C[C@@H]1[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C ZINC000801526815 631282794 /nfs/dbraw/zinc/28/27/94/631282794.db2.gz XXSFVLOFCQMGAR-GHMZBOCLSA-N 0 3 281.331 2.258 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@]12CCc1ccccc12)[N+](=O)[O-] ZINC000813101772 632620761 /nfs/dbraw/zinc/62/07/61/632620761.db2.gz IMNPNAFZCQETEA-DGFSRKRXSA-N 0 3 275.304 2.099 20 5 CEBDHN CC(C)C(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102456 632621424 /nfs/dbraw/zinc/62/14/24/632621424.db2.gz FORTVHORGPCFQA-SNVBAGLBSA-N 0 3 294.307 2.103 20 5 CEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813102175 632621597 /nfs/dbraw/zinc/62/15/97/632621597.db2.gz CDOSGAPSQSDZFM-ZETCQYMHSA-N 0 3 273.672 2.171 20 5 CEBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813102440 632622140 /nfs/dbraw/zinc/62/21/40/632622140.db2.gz FDCOQKZHWVEQRL-VIFPVBQESA-N 0 3 271.700 2.399 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813106320 632623360 /nfs/dbraw/zinc/62/33/60/632623360.db2.gz APICWDURMPFQHW-QWRGUYRKSA-N 0 3 293.319 2.151 20 5 CEBDHN CC(COC(=O)c1cnc2ccsc2c1)[N+](=O)[O-] ZINC000813106250 632623379 /nfs/dbraw/zinc/62/33/79/632623379.db2.gz BKWHHEBJUPSRJJ-SSDOTTSWSA-N 0 3 266.278 2.118 20 5 CEBDHN CC1=NN(c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)CC1 ZINC000813108587 632625356 /nfs/dbraw/zinc/62/53/56/632625356.db2.gz HWXJQGVQIUVTLI-LLVKDONJSA-N 0 3 291.307 2.095 20 5 CEBDHN COc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109345 632625686 /nfs/dbraw/zinc/62/56/86/632625686.db2.gz IUSIYPHRWNRJGZ-JTQLQIEISA-N 0 3 281.308 2.181 20 5 CEBDHN Cc1cccc(OCCC(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813110020 632626721 /nfs/dbraw/zinc/62/67/21/632626721.db2.gz QYLBBQUHFFAJHD-NSHDSACASA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCC=C2)[N+](=O)[O-] ZINC000813110866 632626798 /nfs/dbraw/zinc/62/67/98/632626798.db2.gz KZBKEDVCNGOLJA-JTQLQIEISA-N 0 3 261.277 2.468 20 5 CEBDHN CC[C@H](Oc1ccccc1C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110920 632627432 /nfs/dbraw/zinc/62/74/32/632627432.db2.gz MAKLEJDMVIHCIA-NEPJUHHUSA-N 0 3 281.308 2.361 20 5 CEBDHN CC[C@@H](Oc1ccccc1C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110921 632627889 /nfs/dbraw/zinc/62/78/89/632627889.db2.gz MAKLEJDMVIHCIA-NWDGAFQWSA-N 0 3 281.308 2.361 20 5 CEBDHN CC(COC(=O)c1ccccc1N1CCCCC1)[N+](=O)[O-] ZINC000813113008 632628104 /nfs/dbraw/zinc/62/81/04/632628104.db2.gz NRPKQZDTTBNPBF-GFCCVEGCSA-N 0 3 292.335 2.499 20 5 CEBDHN CC(C)Cn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C1CC1 ZINC000813113555 632628259 /nfs/dbraw/zinc/62/82/59/632628259.db2.gz FWMGUXLYPOHAEK-JTQLQIEISA-N 0 3 295.339 2.239 20 5 CEBDHN CC(COC(=O)c1cccc(OC(F)F)c1)[N+](=O)[O-] ZINC000813112745 632628445 /nfs/dbraw/zinc/62/84/45/632628445.db2.gz KHDKBYDBLICGEK-SSDOTTSWSA-N 0 3 275.207 2.110 20 5 CEBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112851 632628498 /nfs/dbraw/zinc/62/84/98/632628498.db2.gz UWXRGBCDSOFDHO-CMPLNLGQSA-N 0 3 251.282 2.389 20 5 CEBDHN CC(COC(=O)C12CC(c3ccccc3)(C1)C2)[N+](=O)[O-] ZINC000813115644 632629615 /nfs/dbraw/zinc/62/96/15/632629615.db2.gz WVMCGGBOLVNDGU-VCANKDNSSA-N 0 3 275.304 2.317 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2C[C@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153893 634991483 /nfs/dbraw/zinc/99/14/83/634991483.db2.gz PJKVJZFDKNJRHX-FZZIBODNSA-N 0 3 294.351 2.413 20 5 CEBDHN Cc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000825648309 635686013 /nfs/dbraw/zinc/68/60/13/635686013.db2.gz PFJYLBSXDFLZIP-AWEZNQCLSA-N 0 3 293.367 2.106 20 5 CEBDHN COc1ccc2ccccc2c1CCNCC[N+](=O)[O-] ZINC000905561590 636325517 /nfs/dbraw/zinc/32/55/17/636325517.db2.gz RUQLZMWFYGRARS-UHFFFAOYSA-N 0 3 274.320 2.257 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)C1CC1 ZINC000771822266 642226946 /nfs/dbraw/zinc/22/69/46/642226946.db2.gz WQFZOMWBYUUNMA-NSHDSACASA-N 0 3 270.716 2.109 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@@H](O)C1CC1 ZINC000877528020 650768104 /nfs/dbraw/zinc/76/81/04/650768104.db2.gz RBAXNLQNBUOMNV-OAHLLOKOSA-N 0 3 278.352 2.414 20 5 CEBDHN CC(COC(=O)C1[C@H]2CCCCCC[C@H]12)[N+](=O)[O-] ZINC000851036762 642890497 /nfs/dbraw/zinc/89/04/97/642890497.db2.gz MSVBSVYVGUHJPP-VWYCJHECSA-N 0 3 255.314 2.411 20 5 CEBDHN CSc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000853126094 643667814 /nfs/dbraw/zinc/66/78/14/643667814.db2.gz AZHJUNZKVGSNTO-ZETCQYMHSA-N 0 3 259.283 2.132 20 5 CEBDHN COC(=O)C1=CC[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1 ZINC000862464910 646468380 /nfs/dbraw/zinc/46/83/80/646468380.db2.gz BIJPDAQLOPZQSY-CYBMUJFWSA-N 0 3 290.319 2.255 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)C1CC1 ZINC000771805803 646552818 /nfs/dbraw/zinc/55/28/18/646552818.db2.gz VEONRUVUJMUSMK-NSHDSACASA-N 0 3 270.716 2.109 20 5 CEBDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000775596214 646970878 /nfs/dbraw/zinc/97/08/78/646970878.db2.gz CXNYNPZTWAOAGC-LLVKDONJSA-N 0 3 291.351 2.256 20 5 CEBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776585628 647074460 /nfs/dbraw/zinc/07/44/60/647074460.db2.gz YIVKWOWMTGQCAC-AWEZNQCLSA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@H](N[C@H]1CCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035568 649249504 /nfs/dbraw/zinc/24/95/04/649249504.db2.gz XDQJXYUNQXNQAJ-UWVGGRQHSA-N 0 3 267.304 2.089 20 5 CEBDHN Cc1nc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872061080 649257733 /nfs/dbraw/zinc/25/77/33/649257733.db2.gz VXRUAGXMTFNZAN-QMMMGPOBSA-N 0 3 293.302 2.054 20 5 CEBDHN Cc1n[nH]c(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872061080 649257737 /nfs/dbraw/zinc/25/77/37/649257737.db2.gz VXRUAGXMTFNZAN-QMMMGPOBSA-N 0 3 293.302 2.054 20 5 CEBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779808 649486677 /nfs/dbraw/zinc/48/66/77/649486677.db2.gz IKZZUNRGBXKJJF-GHMZBOCLSA-N 0 3 296.758 2.316 20 5 CEBDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780327 649487327 /nfs/dbraw/zinc/48/73/27/649487327.db2.gz XVBCKBPPDOVTAB-KGLIPLIRSA-N 0 3 279.315 2.407 20 5 CEBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780328 649487679 /nfs/dbraw/zinc/48/76/79/649487679.db2.gz XVBCKBPPDOVTAB-UONOGXRCSA-N 0 3 279.315 2.407 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCn1cccn1 ZINC000873020520 649533406 /nfs/dbraw/zinc/53/34/06/649533406.db2.gz VFMUGRIKTWQVHS-UHFFFAOYSA-N 0 3 274.324 2.198 20 5 CEBDHN Cc1c(CNCCOC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873050519 649544289 /nfs/dbraw/zinc/54/42/89/649544289.db2.gz PGDQQCNICJJWRJ-CQSZACIVSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1c(CNC[C@](C)(O)c2ccco2)cccc1[N+](=O)[O-] ZINC000873062431 649547625 /nfs/dbraw/zinc/54/76/25/649547625.db2.gz QUNIAPSDDBSITN-HNNXBMFYSA-N 0 3 290.319 2.494 20 5 CEBDHN Cc1c(CN[C@@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074109 649551536 /nfs/dbraw/zinc/55/15/36/649551536.db2.gz IXLMOJSQKQIMRC-SMDDNHRTSA-N 0 3 294.351 2.187 20 5 CEBDHN CC[C@@H](O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000127367917 651198778 /nfs/dbraw/zinc/19/87/78/651198778.db2.gz MOOPTGZVHAILDT-LLVKDONJSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000879684166 651338826 /nfs/dbraw/zinc/33/88/26/651338826.db2.gz GLTLSHOESDWDJQ-NSHDSACASA-N 0 3 290.323 2.058 20 5 CEBDHN CCN1CC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356953 652441055 /nfs/dbraw/zinc/44/10/55/652441055.db2.gz ZIMFQRPXIIOVDS-DGCLKSJQSA-N 0 3 293.367 2.348 20 5 CEBDHN CCO[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@H]1OC ZINC000300135407 806471368 /nfs/dbraw/zinc/47/13/68/806471368.db2.gz RXMJHKRDKBPAHL-BPLDGKMQSA-N 0 3 294.351 2.185 20 5 CEBDHN CC1(O)CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000705970420 809800141 /nfs/dbraw/zinc/80/01/41/809800141.db2.gz MIQNQBAWPHDZCY-UHFFFAOYSA-N 0 3 270.354 2.440 20 5 CEBDHN C[C@]1(F)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1F ZINC001169011988 811333546 /nfs/dbraw/zinc/33/35/46/811333546.db2.gz OKGRCPACKHZNKJ-QCNOEVLYSA-N 0 3 262.300 2.204 20 5 CEBDHN Cc1nc2c(s1)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169033656 811345350 /nfs/dbraw/zinc/34/53/50/811345350.db2.gz CZLWFXSSDQGZNH-GHMZBOCLSA-N 0 3 281.381 2.255 20 5 CEBDHN C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC001169232039 811445658 /nfs/dbraw/zinc/44/56/58/811445658.db2.gz ZIJAZMAKGLFZRI-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN Cc1c(NCC2CN(C)C2)cc(F)cc1[N+](=O)[O-] ZINC001170254483 812373534 /nfs/dbraw/zinc/37/35/34/812373534.db2.gz MRKVUTNYOYMWOV-UHFFFAOYSA-N 0 3 253.277 2.016 20 5 CEBDHN CN1CC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712581452 814753138 /nfs/dbraw/zinc/75/31/38/814753138.db2.gz MVFWXFFYNHHOMA-LLVKDONJSA-N 0 3 269.732 2.042 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccncn1 ZINC001173213922 815636622 /nfs/dbraw/zinc/63/66/22/815636622.db2.gz MBNHUBBXVCQEOH-LLVKDONJSA-N 0 3 272.308 2.106 20 5 CEBDHN C[C@H](NCC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298502 346815343 /nfs/dbraw/zinc/81/53/43/346815343.db2.gz IXNCJIDXXWGFFQ-GZMMTYOYSA-N 0 3 274.267 2.262 20 5 CEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079905739 343993214 /nfs/dbraw/zinc/99/32/14/343993214.db2.gz ZJHKYOYNNMFUSD-CYBMUJFWSA-N 0 3 292.383 2.033 20 5 CEBDHN CC[C@H](NCCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010513 361881964 /nfs/dbraw/zinc/88/19/64/361881964.db2.gz CZLNQRNDDPECRW-AWEZNQCLSA-N 0 3 293.367 2.408 20 5 CEBDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879840 187203354 /nfs/dbraw/zinc/20/33/54/187203354.db2.gz WUHBMTIOERYVFK-DGCLKSJQSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@@H](CC(C)(C)O)NCc1csc([N+](=O)[O-])c1 ZINC000294979778 199281220 /nfs/dbraw/zinc/28/12/20/199281220.db2.gz GLHYGIQZJSVBCQ-QMMMGPOBSA-N 0 3 258.343 2.295 20 5 CEBDHN C[C@H](CC(C)(C)O)NCc1csc([N+](=O)[O-])c1 ZINC000294979776 199281596 /nfs/dbraw/zinc/28/15/96/199281596.db2.gz GLHYGIQZJSVBCQ-MRVPVSSYSA-N 0 3 258.343 2.295 20 5 CEBDHN CN1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000006911161 343357195 /nfs/dbraw/zinc/35/71/95/343357195.db2.gz GVTACCQHZPPDJI-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493568 282257400 /nfs/dbraw/zinc/25/74/00/282257400.db2.gz FDINYSBHTRBAGD-FZMZJTMJSA-N 0 3 264.325 2.452 20 5 CEBDHN CN(CCCc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000047668464 343520320 /nfs/dbraw/zinc/52/03/20/343520320.db2.gz QWPUQYFEJVVITJ-UHFFFAOYSA-N 0 3 288.351 2.393 20 5 CEBDHN CC(C)(F)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000601970178 346946135 /nfs/dbraw/zinc/94/61/35/346946135.db2.gz ZUSSLGJIVNEYAC-UHFFFAOYSA-N 0 3 283.303 2.261 20 5 CEBDHN C[C@@H]1CSC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000336724208 365787508 /nfs/dbraw/zinc/78/75/08/365787508.db2.gz BECMFPOTUFETRT-VXNVDRBHSA-N 0 3 258.368 2.497 20 5 CEBDHN CCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000061031147 343664791 /nfs/dbraw/zinc/66/47/91/343664791.db2.gz PTVQAOZBORESAE-UHFFFAOYSA-N 0 3 297.380 2.261 20 5 CEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066948765 343726809 /nfs/dbraw/zinc/72/68/09/343726809.db2.gz YXFWERPOVQRYIG-SNVBAGLBSA-N 0 3 297.380 2.213 20 5 CEBDHN CNC(=O)C[C@@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449598863 282298621 /nfs/dbraw/zinc/29/86/21/282298621.db2.gz DRNJHDFNSZBMQT-LLVKDONJSA-N 0 3 293.367 2.332 20 5 CEBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000078553712 343956608 /nfs/dbraw/zinc/95/66/08/343956608.db2.gz AKRZBXQJHPCSGB-NSHDSACASA-N 0 3 292.339 2.201 20 5 CEBDHN CC(C)[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000091484259 344165336 /nfs/dbraw/zinc/16/53/36/344165336.db2.gz KFUFBJYJBYCKEP-CQSZACIVSA-N 0 3 263.341 2.371 20 5 CEBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413671 344139513 /nfs/dbraw/zinc/13/95/13/344139513.db2.gz SYTZYXCQTGBMFK-WCQYABFASA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1ccc(CN(CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000092505946 344192701 /nfs/dbraw/zinc/19/27/01/344192701.db2.gz FZUGSOKWMARADU-UHFFFAOYSA-N 0 3 264.325 2.108 20 5 CEBDHN C[C@H](CO)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121624359 344303932 /nfs/dbraw/zinc/30/39/32/344303932.db2.gz SBNIMAAFKADCLF-NSHDSACASA-N 0 3 264.325 2.188 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCCC[C@H]2CO)c1 ZINC000156961957 344444381 /nfs/dbraw/zinc/44/43/81/344444381.db2.gz XYOWNOMKNJWOOU-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CO)CC1 ZINC000157351374 344445781 /nfs/dbraw/zinc/44/57/81/344445781.db2.gz UKMHKBXJCLDHJH-NSHDSACASA-N 0 3 264.325 2.326 20 5 CEBDHN Cc1ccc([C@@H](C)NCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000211104532 344531175 /nfs/dbraw/zinc/53/11/75/344531175.db2.gz RNRBNJANBJMXGG-LLVKDONJSA-N 0 3 264.325 2.326 20 5 CEBDHN O=[N+]([O-])c1cc(CNC2(CO)CCCC2)cs1 ZINC000053045597 362478635 /nfs/dbraw/zinc/47/86/35/362478635.db2.gz RFQYQKNJBSBHGU-UHFFFAOYSA-N 0 3 256.327 2.051 20 5 CEBDHN COC(=O)[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280673281 344674728 /nfs/dbraw/zinc/67/47/28/344674728.db2.gz GCQUGTNTBPCVSO-UHIISALHSA-N 0 3 292.335 2.397 20 5 CEBDHN COC[C@@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532337 347068576 /nfs/dbraw/zinc/06/85/76/347068576.db2.gz TZXCRTGZAWYFLZ-VIFPVBQESA-N 0 3 279.296 2.108 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](CO)CC2)c1 ZINC000292998427 344690229 /nfs/dbraw/zinc/69/02/29/344690229.db2.gz CRPRXTRFAFJGNR-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](CO)CC2)c1 ZINC000292998429 344690267 /nfs/dbraw/zinc/69/02/67/344690267.db2.gz CRPRXTRFAFJGNR-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN CC(=O)c1cc(N2CC[C@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000590140621 345116949 /nfs/dbraw/zinc/11/69/49/345116949.db2.gz OAPMBUXBRGZXHH-GFCCVEGCSA-N 0 3 291.351 2.185 20 5 CEBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)CCN(C2CCC2)C1 ZINC000589877295 345103808 /nfs/dbraw/zinc/10/38/08/345103808.db2.gz DDWZPOSLKCQZQT-JTQLQIEISA-N 0 3 296.396 2.362 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCNC1=O ZINC000591243842 345233996 /nfs/dbraw/zinc/23/39/96/345233996.db2.gz BSMCEZPKYDTASC-RYUDHWBXSA-N 0 3 291.351 2.080 20 5 CEBDHN C[C@@]1(O)C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000591348697 345241653 /nfs/dbraw/zinc/24/16/53/345241653.db2.gz MEKSMAJZVXDABB-TUKIKUTGSA-N 0 3 276.336 2.475 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])s1 ZINC000591464206 345259215 /nfs/dbraw/zinc/25/92/15/345259215.db2.gz MXGCKXZHSXGVJP-SECBINFHSA-N 0 3 255.343 2.187 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000592379997 345348227 /nfs/dbraw/zinc/34/82/27/345348227.db2.gz HJHHDPUTCOHGDR-PSASIEDQSA-N 0 3 298.364 2.293 20 5 CEBDHN Cc1sc(C(=O)NC[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057710702 362593582 /nfs/dbraw/zinc/59/35/82/362593582.db2.gz QPYOSHZOZBXCED-QMMMGPOBSA-N 0 3 297.380 2.177 20 5 CEBDHN C[C@@H](COCC1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000593681289 345520138 /nfs/dbraw/zinc/52/01/38/345520138.db2.gz FDMGPMOIHYKLJB-NSHDSACASA-N 0 3 264.325 2.500 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@]1(O)CCOC1 ZINC000593721139 345527420 /nfs/dbraw/zinc/52/74/20/345527420.db2.gz ODEWYJWEPCWSFY-DOMZBBRYSA-N 0 3 294.351 2.095 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C[C@@H](C)O)C1CC1 ZINC000594615362 345662824 /nfs/dbraw/zinc/66/28/24/345662824.db2.gz NKKIQIBWCXHYRL-LLVKDONJSA-N 0 3 264.325 2.248 20 5 CEBDHN CC(C)(C)[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640125 345664158 /nfs/dbraw/zinc/66/41/58/345664158.db2.gz ICCDLVYTMHYSRG-LBPRGKRZSA-N 0 3 275.312 2.221 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1(CO)CC1 ZINC000594969900 345719839 /nfs/dbraw/zinc/71/98/39/345719839.db2.gz SJXYSBHGLYJJNA-NSHDSACASA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1cncc(CCNCc2ccc([N+](=O)[O-])cc2C)n1 ZINC000594995961 345723253 /nfs/dbraw/zinc/72/32/53/345723253.db2.gz WEVUTHIFTJXIQU-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CO)CC1 ZINC000595015168 345727536 /nfs/dbraw/zinc/72/75/36/345727536.db2.gz XOAWXEGILISJOS-JTQLQIEISA-N 0 3 280.324 2.027 20 5 CEBDHN CCC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595018291 345728202 /nfs/dbraw/zinc/72/82/02/345728202.db2.gz NGKTZEAOHGHPAB-CMPLNLGQSA-N 0 3 282.340 2.415 20 5 CEBDHN CO[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595061583 345737517 /nfs/dbraw/zinc/73/75/17/345737517.db2.gz RVHIQFKQRZNNFX-OSAQELSMSA-N 0 3 294.351 2.297 20 5 CEBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000595316697 345760945 /nfs/dbraw/zinc/76/09/45/345760945.db2.gz IWDINLNTNBCBDB-AWEZNQCLSA-N 0 3 293.342 2.402 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595431284 345780871 /nfs/dbraw/zinc/78/08/71/345780871.db2.gz OMCFUCIZWODTGV-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595808968 345880898 /nfs/dbraw/zinc/88/08/98/345880898.db2.gz PUHWDKYVFASZCC-VXGBXAGGSA-N 0 3 262.309 2.315 20 5 CEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595908684 345911367 /nfs/dbraw/zinc/91/13/67/345911367.db2.gz JPFKRULRXCTTET-LBPRGKRZSA-N 0 3 291.351 2.172 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H](C)N1 ZINC000598536313 346372147 /nfs/dbraw/zinc/37/21/47/346372147.db2.gz RJAQSMGLXAFPLO-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000598999153 346444213 /nfs/dbraw/zinc/44/42/13/346444213.db2.gz KLUUXWUJNOKSBR-DYNIEEOBSA-N 0 3 264.325 2.496 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000599000795 346444923 /nfs/dbraw/zinc/44/49/23/346444923.db2.gz WDEGJLMUHIQCLD-DEKYYXRVSA-N 0 3 264.325 2.496 20 5 CEBDHN O=[N+]([O-])c1ncccc1NC[C@@H]1CCN1C1CCCC1 ZINC000599163044 346470479 /nfs/dbraw/zinc/47/04/79/346470479.db2.gz ADPIUQJCLZSNJL-LBPRGKRZSA-N 0 3 276.340 2.419 20 5 CEBDHN CCC(O)(CC)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000599673626 346560750 /nfs/dbraw/zinc/56/07/50/346560750.db2.gz RVCPMZKESDPCNJ-UHFFFAOYSA-N 0 3 296.367 2.457 20 5 CEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000599985263 346589417 /nfs/dbraw/zinc/58/94/17/346589417.db2.gz BERULOFXCZTJHT-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN CCCN1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601163242 346773612 /nfs/dbraw/zinc/77/36/12/346773612.db2.gz FYMIPDRTIBNCLF-NSHDSACASA-N 0 3 282.319 2.415 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000601188487 346781141 /nfs/dbraw/zinc/78/11/41/346781141.db2.gz HLUCPNXUSBLJIN-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN CC1(C)CCCN1CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601173300 346777890 /nfs/dbraw/zinc/77/78/90/346777890.db2.gz WQKGGAQXICJNJI-UHFFFAOYSA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814622 365857308 /nfs/dbraw/zinc/85/73/08/365857308.db2.gz XPYWANCBCZLWIA-KOLCDFICSA-N 0 3 268.288 2.391 20 5 CEBDHN Cn1cc(CN2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602698871 347154838 /nfs/dbraw/zinc/15/48/38/347154838.db2.gz AJKUIBYGTLXYKO-JQWIXIFHSA-N 0 3 264.329 2.093 20 5 CEBDHN CCSCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733900 347177850 /nfs/dbraw/zinc/17/78/50/347177850.db2.gz XIDRRNAGQBZAQC-CYBMUJFWSA-N 0 3 284.381 2.145 20 5 CEBDHN CC(C)(C)N1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000604493041 347417852 /nfs/dbraw/zinc/41/78/52/347417852.db2.gz SCHZYZKRICNDGT-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000129760244 365892294 /nfs/dbraw/zinc/89/22/94/365892294.db2.gz UVCSXPHJTLKOEG-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN COc1ccc(CN(C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000610390322 347677955 /nfs/dbraw/zinc/67/79/55/347677955.db2.gz WVJSOTDOAUUKSN-UHFFFAOYSA-N 0 3 280.324 2.072 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C3CCCC2CCC3)c1 ZINC000610448025 347682067 /nfs/dbraw/zinc/68/20/67/347682067.db2.gz QVMPEZGTALEHGO-UHFFFAOYSA-N 0 3 264.329 2.198 20 5 CEBDHN CN1CCCN(CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000611412526 347776327 /nfs/dbraw/zinc/77/63/27/347776327.db2.gz UMEXGBWTZMPEFU-UHFFFAOYSA-N 0 3 298.412 2.096 20 5 CEBDHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000336843743 365916714 /nfs/dbraw/zinc/91/67/14/365916714.db2.gz XQBAEBFGNOAOJZ-LLVKDONJSA-N 0 3 281.360 2.016 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000611510167 347788033 /nfs/dbraw/zinc/78/80/33/347788033.db2.gz BIMCTFFKROORKT-ZJUUUORDSA-N 0 3 267.354 2.187 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612135267 347848448 /nfs/dbraw/zinc/84/84/48/347848448.db2.gz YELKZMNGMHDUPR-MPXAEWJHSA-N 0 3 276.336 2.359 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CCO)C1 ZINC000612577363 347903738 /nfs/dbraw/zinc/90/37/38/347903738.db2.gz AFFDJOALXOUSBY-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN CC[C@]1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000616865322 348581006 /nfs/dbraw/zinc/58/10/06/348581006.db2.gz KJIDLRCWOSJYQI-AWEZNQCLSA-N 0 3 280.324 2.262 20 5 CEBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000273485500 192170063 /nfs/dbraw/zinc/17/00/63/192170063.db2.gz VPUHGRHOHWMIOX-BXUZGUMPSA-N 0 3 264.325 2.106 20 5 CEBDHN CN(C)CCN(c1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000450496536 282638032 /nfs/dbraw/zinc/63/80/32/282638032.db2.gz AYOHKENMESQLIL-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)N(C)C ZINC000271219914 191008388 /nfs/dbraw/zinc/00/83/88/191008388.db2.gz FUOMRSJBQUQNJO-NSHDSACASA-N 0 3 293.367 2.200 20 5 CEBDHN CC(C)C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551374 180002357 /nfs/dbraw/zinc/00/23/57/180002357.db2.gz RVDOZVTWBWUEEM-ZDUSSCGKSA-N 0 3 293.367 2.125 20 5 CEBDHN Cc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000091672909 180224730 /nfs/dbraw/zinc/22/47/30/180224730.db2.gz IEEVRBFIAPPNEM-CHWSQXEVSA-N 0 3 291.351 2.178 20 5 CEBDHN CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000271350014 191088812 /nfs/dbraw/zinc/08/88/12/191088812.db2.gz POHBGCNALSNCDW-JSGCOSHPSA-N 0 3 264.325 2.106 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000352187843 219351014 /nfs/dbraw/zinc/35/10/14/219351014.db2.gz VFYZROLMKBYSGL-AWEZNQCLSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000352194813 219355144 /nfs/dbraw/zinc/35/51/44/219355144.db2.gz MAFSWWABTICDOI-CYBMUJFWSA-N 0 3 250.298 2.206 20 5 CEBDHN Cc1ccc([C@@H](C)NCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000130780116 365990476 /nfs/dbraw/zinc/99/04/76/365990476.db2.gz PMFRZGPVMPNKSC-LLVKDONJSA-N 0 3 264.325 2.469 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122317462 187026548 /nfs/dbraw/zinc/02/65/48/187026548.db2.gz MACBIAHMIHGWBW-YPMHNXCESA-N 0 3 275.352 2.310 20 5 CEBDHN CC(C)[C@@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000291761717 198084138 /nfs/dbraw/zinc/08/41/38/198084138.db2.gz LQATXMNYXFDFBE-GFCCVEGCSA-N 0 3 299.758 2.190 20 5 CEBDHN CC(C)(NCC[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000292111950 198167997 /nfs/dbraw/zinc/16/79/97/198167997.db2.gz JCYNNPFHBYKVEU-NSHDSACASA-N 0 3 292.335 2.373 20 5 CEBDHN CS[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271603868 191237559 /nfs/dbraw/zinc/23/75/59/191237559.db2.gz ITPGXBWQNOGDEF-NEPJUHHUSA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@H](O)C[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000152549005 188027686 /nfs/dbraw/zinc/02/76/86/188027686.db2.gz VNAYQBQHMPCFIQ-WCQYABFASA-N 0 3 264.325 2.330 20 5 CEBDHN CC[C@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132756758 366168521 /nfs/dbraw/zinc/16/85/21/366168521.db2.gz ZYXBFGUSNXFCQQ-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN COC[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000452032587 283165136 /nfs/dbraw/zinc/16/51/36/283165136.db2.gz WSMUFZBOYITYDU-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000273660108 192249703 /nfs/dbraw/zinc/24/97/03/192249703.db2.gz HWNWDXGBQYMTPB-LBPRGKRZSA-N 0 3 293.367 2.125 20 5 CEBDHN CCN1CCC[C@@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000134902855 366371069 /nfs/dbraw/zinc/37/10/69/366371069.db2.gz MVXPTXYPEMJIGX-LLVKDONJSA-N 0 3 279.340 2.500 20 5 CEBDHN C[C@H](NCC1=CCCOC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294425255 199034895 /nfs/dbraw/zinc/03/48/95/199034895.db2.gz ULSQPBXZIVEAMN-JTQLQIEISA-N 0 3 277.324 2.174 20 5 CEBDHN COc1ccc(CNC2CC(C)C2)cc1[N+](=O)[O-] ZINC000080248970 363651528 /nfs/dbraw/zinc/65/15/28/363651528.db2.gz MIUGGAYKEOLWMK-UHFFFAOYSA-N 0 3 250.298 2.492 20 5 CEBDHN C[C@H](NC[C@@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579691 216021400 /nfs/dbraw/zinc/02/14/00/216021400.db2.gz ZQEAOBCWCPTQAW-XHDPSFHLSA-N 0 3 294.351 2.033 20 5 CEBDHN CN1CC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148469679 366581136 /nfs/dbraw/zinc/58/11/36/366581136.db2.gz MYMWSKHNFBZUHN-QMMMGPOBSA-N 0 3 270.720 2.007 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1CCCC[C@@H]1C ZINC000341931424 216156813 /nfs/dbraw/zinc/15/68/13/216156813.db2.gz LCTMUAOWYHSWBR-STQMWFEESA-N 0 3 292.383 2.395 20 5 CEBDHN Cc1c([C@@H](C)NCCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000177866832 189075473 /nfs/dbraw/zinc/07/54/73/189075473.db2.gz TYVQQJSDLXHLKE-GFCCVEGCSA-N 0 3 293.367 2.469 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC1(CO)CCC1 ZINC000178638228 189133316 /nfs/dbraw/zinc/13/33/16/189133316.db2.gz PLNUEAXUFISVQI-ZZXKWVIFSA-N 0 3 262.309 2.113 20 5 CEBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000178730900 189141240 /nfs/dbraw/zinc/14/12/40/189141240.db2.gz KNTVYLSEMKYWCR-ZDUSSCGKSA-N 0 3 280.324 2.118 20 5 CEBDHN COC(=O)C[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000179148288 189172937 /nfs/dbraw/zinc/17/29/37/189172937.db2.gz NBBNXGWNGUODPH-AWEZNQCLSA-N 0 3 292.335 2.165 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@@H](CO)C1 ZINC000342242172 216274483 /nfs/dbraw/zinc/27/44/83/216274483.db2.gz IKAXINHISUYOQM-CHWSQXEVSA-N 0 3 278.352 2.483 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183842413 189369228 /nfs/dbraw/zinc/36/92/28/189369228.db2.gz HZVJOKNWEBPUFZ-NSHDSACASA-N 0 3 293.367 2.326 20 5 CEBDHN COc1ccccc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000090537754 364062727 /nfs/dbraw/zinc/06/27/27/364062727.db2.gz ZSGCDRRHKLXCMU-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN C[C@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000090795021 364063236 /nfs/dbraw/zinc/06/32/36/364063236.db2.gz FRNOYEBXEYGSFQ-DTWKUNHWSA-N 0 3 295.368 2.199 20 5 CEBDHN Cc1cnc(N[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090824899 364067043 /nfs/dbraw/zinc/06/70/43/364067043.db2.gz GPPSUXDGOQVRIU-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CN1 ZINC000237483001 370725309 /nfs/dbraw/zinc/72/53/09/370725309.db2.gz SNGMSDVFVZWCPK-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1ccc(CN(C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093839853 364233686 /nfs/dbraw/zinc/23/36/86/364233686.db2.gz PZROITUVIIMXDN-ZDUSSCGKSA-N 0 3 264.325 2.372 20 5 CEBDHN CC[C@@H](C)[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000112379446 364802941 /nfs/dbraw/zinc/80/29/41/364802941.db2.gz WINXGDGIGCXMPU-RISCZKNCSA-N 0 3 266.341 2.482 20 5 CEBDHN COC[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000112986241 364862649 /nfs/dbraw/zinc/86/26/49/364862649.db2.gz KTTKSMKJDVEMKD-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000194827778 189668329 /nfs/dbraw/zinc/66/83/29/189668329.db2.gz WNDJOTLIISYNCX-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@H](C)CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000171949314 367646216 /nfs/dbraw/zinc/64/62/16/367646216.db2.gz BJWJWWSXPLRAEJ-JTQLQIEISA-N 0 3 279.340 2.172 20 5 CEBDHN CCCN(CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343655917 367941253 /nfs/dbraw/zinc/94/12/53/367941253.db2.gz WVVKBPCGXUZUNU-AWEZNQCLSA-N 0 3 291.351 2.432 20 5 CEBDHN C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000174409163 368020172 /nfs/dbraw/zinc/02/01/72/368020172.db2.gz DPFCYMVLXVAVKI-LLVKDONJSA-N 0 3 250.298 2.458 20 5 CEBDHN Cc1c(C(=O)N(CCN(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000344112103 368108693 /nfs/dbraw/zinc/10/86/93/368108693.db2.gz VDMJNUWUFSAUMV-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1nc(NC[C@@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000349414230 369323529 /nfs/dbraw/zinc/32/35/29/369323529.db2.gz MXSMZBROPUKNCC-NWDGAFQWSA-N 0 3 292.383 2.395 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000230688464 189810891 /nfs/dbraw/zinc/81/08/91/189810891.db2.gz HRHWCGJCCDDUDW-SNVBAGLBSA-N 0 3 258.343 2.153 20 5 CEBDHN CCC[C@@H](CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000231393143 189812850 /nfs/dbraw/zinc/81/28/50/189812850.db2.gz CUQKDIPOWLZWKS-LBPRGKRZSA-N 0 3 266.341 2.483 20 5 CEBDHN CN(CC[C@H]1CCCCN1C)c1ncc([N+](=O)[O-])s1 ZINC000192467365 369816411 /nfs/dbraw/zinc/81/64/11/369816411.db2.gz GMHSSKOLQINSJR-SNVBAGLBSA-N 0 3 284.385 2.362 20 5 CEBDHN COc1cc(CN(C)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352540446 369778964 /nfs/dbraw/zinc/77/89/64/369778964.db2.gz LEZQZMWTWIMQIV-LBPRGKRZSA-N 0 3 280.324 2.072 20 5 CEBDHN COc1ccc(OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000194443480 370039583 /nfs/dbraw/zinc/03/95/83/370039583.db2.gz GCJSHSZFAMMCCG-UHFFFAOYSA-N 0 3 280.324 2.468 20 5 CEBDHN COc1cc(NCCN(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000213841526 370169331 /nfs/dbraw/zinc/16/93/31/370169331.db2.gz KOYMUKQNJOXJBA-UHFFFAOYSA-N 0 3 295.339 2.118 20 5 CEBDHN C[C@@H](NCCC[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000228031117 370392591 /nfs/dbraw/zinc/39/25/91/370392591.db2.gz SMDOBAWHUZSKBG-WDEREUQCSA-N 0 3 252.314 2.406 20 5 CEBDHN Cn1ccc(CCNC/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000354637527 370445637 /nfs/dbraw/zinc/44/56/37/370445637.db2.gz JGEIJNDJLSUVQS-GQCTYLIASA-N 0 3 286.335 2.174 20 5 CEBDHN CO[C@@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000231884740 370497713 /nfs/dbraw/zinc/49/77/13/370497713.db2.gz ULFZLAURGYDQFL-QWRGUYRKSA-N 0 3 252.314 2.416 20 5 CEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000247304301 371090038 /nfs/dbraw/zinc/09/00/38/371090038.db2.gz LNTRHPBKJVEQBH-WCQYABFASA-N 0 3 291.351 2.053 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359285494 371410133 /nfs/dbraw/zinc/41/01/33/371410133.db2.gz IANSEJIZCUSXEE-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000250143411 371378985 /nfs/dbraw/zinc/37/89/85/371378985.db2.gz ZLAQUTRUIYNTNG-OUCADQQQSA-N 0 3 262.309 2.252 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(C(C)C)CC1 ZINC000360950193 371557010 /nfs/dbraw/zinc/55/70/10/371557010.db2.gz ZHDWTRWDTUSLRC-UHFFFAOYSA-N 0 3 295.387 2.040 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000360996281 371589019 /nfs/dbraw/zinc/58/90/19/371589019.db2.gz RNOXFGBZOKLUPI-JQWIXIFHSA-N 0 3 295.387 2.039 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000361063550 371629344 /nfs/dbraw/zinc/62/93/44/371629344.db2.gz SAMANRPVISJYDK-ONGXEEELSA-N 0 3 293.371 2.157 20 5 CEBDHN Cc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361164073 371692224 /nfs/dbraw/zinc/69/22/24/371692224.db2.gz CYDJKZLDMOSKIQ-QWHCGFSZSA-N 0 3 277.368 2.428 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H](C)OC ZINC000361574387 371938618 /nfs/dbraw/zinc/93/86/18/371938618.db2.gz VXIGSDLWVWGKTP-LLVKDONJSA-N 0 3 282.340 2.460 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2cnccn2)c(Cl)c1 ZINC000344300911 217140062 /nfs/dbraw/zinc/14/00/62/217140062.db2.gz JSNKIKJNZHKSQW-UHFFFAOYSA-N 0 3 292.726 2.371 20 5 CEBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000269653153 372521734 /nfs/dbraw/zinc/52/17/34/372521734.db2.gz NFPLBXUWGIQMRC-ZDUSSCGKSA-N 0 3 250.298 2.113 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000269662103 372522864 /nfs/dbraw/zinc/52/28/64/372522864.db2.gz QKYJUWMBNVXLLX-KCQAQPDRSA-N 0 3 276.336 2.360 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000270220013 372706831 /nfs/dbraw/zinc/70/68/31/372706831.db2.gz YYRKVCQYDWVDIP-IUODEOHRSA-N 0 3 294.351 2.066 20 5 CEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(C[C@@H]3CCC=CO3)C2)c1 ZINC000365337983 372831506 /nfs/dbraw/zinc/83/15/06/372831506.db2.gz RNSPJXJUVQBBHE-OCCSQVGLSA-N 0 3 292.339 2.121 20 5 CEBDHN C[C@@H](NC[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491684 220115457 /nfs/dbraw/zinc/11/54/57/220115457.db2.gz SLVFTKPXDJXOCF-ZWNOBZJWSA-N 0 3 264.325 2.264 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H]1COCCO1 ZINC000344797991 217314050 /nfs/dbraw/zinc/31/40/50/217314050.db2.gz XDJZRTMUXDQVNY-WASHYIJTSA-N 0 3 292.335 2.003 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000271071892 373103451 /nfs/dbraw/zinc/10/34/51/373103451.db2.gz FNHNITYQRKIHES-NXEZZACHSA-N 0 3 268.313 2.025 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@]23CCOC3)cc1 ZINC000370742708 373734757 /nfs/dbraw/zinc/73/47/57/373734757.db2.gz WVBGAAONCIWWMD-HNNXBMFYSA-N 0 3 276.336 2.392 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](C3CC3)C2)c1 ZINC000372854598 374212884 /nfs/dbraw/zinc/21/28/84/374212884.db2.gz CSUFSJUNPISFHD-HIFRSBDPSA-N 0 3 276.336 2.360 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373602487 374388673 /nfs/dbraw/zinc/38/86/73/374388673.db2.gz FKGSODZIZSGPAA-HUUCEWRRSA-N 0 3 276.336 2.391 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2C2CC2)nc1 ZINC000277459643 374528500 /nfs/dbraw/zinc/52/85/00/374528500.db2.gz OXACUGXJVUDISF-LBPRGKRZSA-N 0 3 276.340 2.419 20 5 CEBDHN Nc1ccc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000283478555 375712760 /nfs/dbraw/zinc/71/27/60/375712760.db2.gz GUKOGMVMTXSOIF-UHFFFAOYSA-N 0 3 290.367 2.242 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000414653288 375902357 /nfs/dbraw/zinc/90/23/57/375902357.db2.gz DZXLLHAEAUXSCU-GHMZBOCLSA-N 0 3 292.339 2.117 20 5 CEBDHN CCOc1cc(CN(C)[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000286440075 375954094 /nfs/dbraw/zinc/95/40/94/375954094.db2.gz JGRBMMZNNTWEAL-TZMCWYRMSA-N 0 3 294.351 2.339 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC2(CO)CCCC2)c(F)c1 ZINC000312612361 376721883 /nfs/dbraw/zinc/72/18/83/376721883.db2.gz VAOKBLIDJPKYGO-UHFFFAOYSA-N 0 3 282.315 2.376 20 5 CEBDHN CCN1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264615651 190122846 /nfs/dbraw/zinc/12/28/46/190122846.db2.gz ANRDGBSIEDHECH-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCCN1C ZINC000420998191 376772370 /nfs/dbraw/zinc/77/23/70/376772370.db2.gz HYJLLQDXZYUTFK-CQSZACIVSA-N 0 3 293.367 2.129 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@@H](C)O ZINC000291292838 377162828 /nfs/dbraw/zinc/16/28/28/377162828.db2.gz RHNZCVPFEIBBBK-MNOVXSKESA-N 0 3 252.314 2.277 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000423278450 377205144 /nfs/dbraw/zinc/20/51/44/377205144.db2.gz PZJDPWXVOSHVJG-QMTHXVAHSA-N 0 3 291.351 2.208 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C1CC(O)C1 ZINC000332429126 377599033 /nfs/dbraw/zinc/59/90/33/377599033.db2.gz GPZNRYVPRWMFTI-ALXWSUNGSA-N 0 3 250.298 2.111 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)CNC(C)C)cc1[N+](=O)[O-] ZINC000565251382 377625575 /nfs/dbraw/zinc/62/55/75/377625575.db2.gz QVRVVZGSJOYEQW-LLVKDONJSA-N 0 3 279.340 2.078 20 5 CEBDHN CCOc1cc(CN(C)CC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000295209364 378051551 /nfs/dbraw/zinc/05/15/51/378051551.db2.gz LXAMFQYDJFMAOG-UHFFFAOYSA-N 0 3 296.367 2.444 20 5 CEBDHN Cc1nn(C)c(NC[C@@H]2N(C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000447806409 378139728 /nfs/dbraw/zinc/13/97/28/378139728.db2.gz NJRLABDQHXKSDA-NSHDSACASA-N 0 3 295.387 2.169 20 5 CEBDHN COCC[C@@]1(NCc2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000447087551 378091264 /nfs/dbraw/zinc/09/12/64/378091264.db2.gz PAGUNUIFVDOHCA-OAHLLOKOSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1ccc([C@H](O)CNCc2cccc([N+](=O)[O-])c2)o1 ZINC000266059418 190226858 /nfs/dbraw/zinc/22/68/58/190226858.db2.gz WBHLAMQSAKMPBC-CYBMUJFWSA-N 0 3 276.292 2.319 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000450351955 378370448 /nfs/dbraw/zinc/37/04/48/378370448.db2.gz UUSIJDXZJWQOQU-ZYHUDNBSSA-N 0 3 293.371 2.002 20 5 CEBDHN C[C@@](O)(CNCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000266136088 190233658 /nfs/dbraw/zinc/23/36/58/190233658.db2.gz FMJMGQKKWRFDAR-CQSZACIVSA-N 0 3 276.292 2.185 20 5 CEBDHN COC[C@@](C)(O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257389 378843667 /nfs/dbraw/zinc/84/36/67/378843667.db2.gz NCGUGEZIKXUHSA-FZMZJTMJSA-N 0 3 282.340 2.033 20 5 CEBDHN CC[C@H](NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395923 378885219 /nfs/dbraw/zinc/88/52/19/378885219.db2.gz IGJOFYZKCISHBK-DZGCQCFKSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@@H](N[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453419949 378898042 /nfs/dbraw/zinc/89/80/42/378898042.db2.gz XLTNQLHCQJHFST-OASPWFOLSA-N 0 3 250.298 2.159 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000278560960 194044395 /nfs/dbraw/zinc/04/43/95/194044395.db2.gz CKILNTYOENXGRH-LSDHHAIUSA-N 0 3 294.351 2.187 20 5 CEBDHN O=[N+]([O-])c1cccc2c1ccnc2N1C[C@H]2CCC[C@@H](C1)N2 ZINC000518144312 379379507 /nfs/dbraw/zinc/37/95/07/379379507.db2.gz GGFFVPIYQIEIOB-TXEJJXNPSA-N 0 3 298.346 2.474 20 5 CEBDHN CN(CCN(C)C1CC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000302281810 379350718 /nfs/dbraw/zinc/35/07/18/379350718.db2.gz UZWRAABCZIEWAP-UHFFFAOYSA-N 0 3 285.294 2.403 20 5 CEBDHN COc1ccc(CN(C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000303988417 379506205 /nfs/dbraw/zinc/50/62/05/379506205.db2.gz JYRQQXQQZGGFKC-LLVKDONJSA-N 0 3 282.340 2.195 20 5 CEBDHN Cc1cccc(CN(C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000266928043 190290999 /nfs/dbraw/zinc/29/09/99/190290999.db2.gz RNSSLYUIJJHFAN-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CCCSC2)c([N+](=O)[O-])cc1[O-] ZINC000267148024 190306615 /nfs/dbraw/zinc/30/66/15/190306615.db2.gz BNINULWJXFMDDU-JTQLQIEISA-N 0 3 298.364 2.294 20 5 CEBDHN Cc1cccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000334042476 380220975 /nfs/dbraw/zinc/22/09/75/380220975.db2.gz ORUJGGCYHLQUDJ-RYUDHWBXSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1c([C@H](C)NC[C@@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908285 190450483 /nfs/dbraw/zinc/45/04/83/190450483.db2.gz HGIURCQFZPRIKJ-FZMZJTMJSA-N 0 3 296.392 2.422 20 5 CEBDHN CNC(=O)[C@]1(C)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345451 195206339 /nfs/dbraw/zinc/20/63/39/195206339.db2.gz ZLQFHRNQHRJDSQ-XHDPSFHLSA-N 0 3 291.351 2.114 20 5 CEBDHN CO[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000190933313 533263883 /nfs/dbraw/zinc/26/38/83/533263883.db2.gz RPTNVSBBOGVSQD-RYUDHWBXSA-N 0 3 250.298 2.252 20 5 CEBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000421034420 394475542 /nfs/dbraw/zinc/47/55/42/394475542.db2.gz KEPCXQPDENQSSK-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[C@@H]1O ZINC000304284156 394483124 /nfs/dbraw/zinc/48/31/24/394483124.db2.gz FIAMZHQAQRDCPE-RISCZKNCSA-N 0 3 294.351 2.244 20 5 CEBDHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766529 394497890 /nfs/dbraw/zinc/49/78/90/394497890.db2.gz APXYSQTXUNTTLE-MFKMUULPSA-N 0 3 279.340 2.145 20 5 CEBDHN CC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000421874988 394623726 /nfs/dbraw/zinc/62/37/26/394623726.db2.gz JKNYLKMGGVEFAV-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1cc(C(=O)N(CCN(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000356873324 394639096 /nfs/dbraw/zinc/63/90/96/394639096.db2.gz KEWZLXWHAHBAHE-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272249933 394768865 /nfs/dbraw/zinc/76/88/65/394768865.db2.gz YBBGAANEJSETNB-IUODEOHRSA-N 0 3 275.352 2.434 20 5 CEBDHN CC(C)CN1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000361829321 394836261 /nfs/dbraw/zinc/83/62/61/394836261.db2.gz INOGMEWCNYVCJY-UHFFFAOYSA-N 0 3 278.356 2.158 20 5 CEBDHN CCCN1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000125666186 394844170 /nfs/dbraw/zinc/84/41/70/394844170.db2.gz UOQBSGGROOOYDS-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131785381 394919041 /nfs/dbraw/zinc/91/90/41/394919041.db2.gz TYGHHZPXJZZGGX-DCAQKATOSA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C12CCCN1CCC2 ZINC000365991434 394936217 /nfs/dbraw/zinc/93/62/17/394936217.db2.gz UNUMDBVTFUFOIO-UHFFFAOYSA-N 0 3 289.335 2.470 20 5 CEBDHN C[C@H](NCCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000289793031 395087564 /nfs/dbraw/zinc/08/75/64/395087564.db2.gz NHWPBTYVPJQQQN-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN CN(C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000286990614 395032434 /nfs/dbraw/zinc/03/24/34/395032434.db2.gz JOXVRXVDIXZTFJ-AWEZNQCLSA-N 0 3 277.368 2.468 20 5 CEBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CCCCN1C1CC1 ZINC000433793334 395248267 /nfs/dbraw/zinc/24/82/67/395248267.db2.gz RUXQQBOIKVPODB-GFCCVEGCSA-N 0 3 276.340 2.419 20 5 CEBDHN CC[C@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473242 395300058 /nfs/dbraw/zinc/30/00/58/395300058.db2.gz ZRFUWGSWFQERLO-QWRGUYRKSA-N 0 3 294.330 2.192 20 5 CEBDHN CC[C@@H](C)N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000295976077 395304962 /nfs/dbraw/zinc/30/49/62/395304962.db2.gz KTPVQZMDBHADLG-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000183604693 395259749 /nfs/dbraw/zinc/25/97/49/395259749.db2.gz SWSQZPGCRXMLOJ-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN C[C@H](NCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184528892 395274501 /nfs/dbraw/zinc/27/45/01/395274501.db2.gz GIHAPWSOXCGVNP-NSHDSACASA-N 0 3 264.325 2.408 20 5 CEBDHN COc1cc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])cc1F ZINC000420636383 395395237 /nfs/dbraw/zinc/39/52/37/395395237.db2.gz NHEAANWGSYGPMK-SNVBAGLBSA-N 0 3 297.330 2.273 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258085 395600107 /nfs/dbraw/zinc/60/01/07/395600107.db2.gz AFBVNWHALSESAE-GXTWGEPZSA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([S@@](C)=O)CC1 ZINC000573666328 395613852 /nfs/dbraw/zinc/61/38/52/395613852.db2.gz LTCVUQOXJCQJHE-PRWKNARSSA-N 0 3 296.392 2.465 20 5 CEBDHN CC1(C)CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1 ZINC000212604180 400304637 /nfs/dbraw/zinc/30/46/37/400304637.db2.gz NBYQBEXZDVIAGZ-UHFFFAOYSA-N 0 3 286.335 2.331 20 5 CEBDHN C[C@@H]1OCC[C@]1(C)NCc1cccc([N+](=O)[O-])c1 ZINC000230151798 153379526 /nfs/dbraw/zinc/37/95/26/153379526.db2.gz BQEDCEQKEIEFBR-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1c(CN2CCN(C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000357076282 154373414 /nfs/dbraw/zinc/37/34/14/154373414.db2.gz WRDBWOLCTIXZCU-OLZOCXBDSA-N 0 3 277.368 2.428 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC3(CCO3)CC2)cc1 ZINC000367094260 156131430 /nfs/dbraw/zinc/13/14/30/156131430.db2.gz XLWULBDNTPDHKU-UHFFFAOYSA-N 0 3 262.309 2.350 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CCCCC[C@@H]21 ZINC000367123358 156138424 /nfs/dbraw/zinc/13/84/24/156138424.db2.gz QGIYYXVOBCLXOF-JSGCOSHPSA-N 0 3 291.351 2.021 20 5 CEBDHN CC(C)[C@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000174699647 165114165 /nfs/dbraw/zinc/11/41/65/165114165.db2.gz XBIPOGHBJWZYKF-OAHLLOKOSA-N 0 3 277.368 2.367 20 5 CEBDHN CCC[C@]1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471732 196294317 /nfs/dbraw/zinc/29/43/17/196294317.db2.gz HOENNODEJBGWLC-GJZGRUSLSA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040464246 174273337 /nfs/dbraw/zinc/27/33/37/174273337.db2.gz ZBSWASFBOZQIHR-BXKDBHETSA-N 0 3 279.340 2.145 20 5 CEBDHN C[C@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H](C)C1 ZINC000488739421 262384251 /nfs/dbraw/zinc/38/42/51/262384251.db2.gz WCZQJNGEWLJOMD-DCAQKATOSA-N 0 3 296.396 2.218 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390533 263261310 /nfs/dbraw/zinc/26/13/10/263261310.db2.gz YFICBOOAFUGZMZ-MWLCHTKSSA-N 0 3 279.340 2.078 20 5 CEBDHN CC(C)N(C)CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186020460 270247744 /nfs/dbraw/zinc/24/77/44/270247744.db2.gz RFJVSHGXNGRFNI-UHFFFAOYSA-N 0 3 299.758 2.205 20 5 CEBDHN C[C@H](O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162231 270332704 /nfs/dbraw/zinc/33/27/04/270332704.db2.gz FZGRUZYYAUQXEI-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc(CNC[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316498219 270334460 /nfs/dbraw/zinc/33/44/60/270334460.db2.gz WNBNDYFJRPZQMN-AWEZNQCLSA-N 0 3 264.325 2.154 20 5 CEBDHN Cc1ccc(CN2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000428461540 271271053 /nfs/dbraw/zinc/27/10/53/271271053.db2.gz OZZCRZDYVVXGJE-ZDUSSCGKSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417358798 278389606 /nfs/dbraw/zinc/38/96/06/278389606.db2.gz UNLKYSNSYSYRIO-XWIASGKRSA-N 0 3 250.298 2.159 20 5 CEBDHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766527 279596472 /nfs/dbraw/zinc/59/64/72/279596472.db2.gz APXYSQTXUNTTLE-GWCFXTLKSA-N 0 3 279.340 2.145 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000194569531 281257793 /nfs/dbraw/zinc/25/77/93/281257793.db2.gz ILPWZHLGZMQSFQ-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN CN(C)CC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000459544041 290174706 /nfs/dbraw/zinc/17/47/06/290174706.db2.gz CQLOIZBWGOHRGZ-UHFFFAOYSA-N 0 3 269.320 2.164 20 5 CEBDHN C[C@@H]1CCCC[C@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000459610001 290194233 /nfs/dbraw/zinc/19/42/33/290194233.db2.gz KDNLOUQMCIICHM-MFKMUULPSA-N 0 3 266.345 2.387 20 5 CEBDHN O=C(CN[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000459791151 290240840 /nfs/dbraw/zinc/24/08/40/290240840.db2.gz SLZUOZNCKXYGGK-GRYCIOLGSA-N 0 3 289.335 2.312 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)C1CC1 ZINC000539042727 298243655 /nfs/dbraw/zinc/24/36/55/298243655.db2.gz HQWRISKJBQYWRF-NSHDSACASA-N 0 3 291.351 2.080 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000582608510 322488014 /nfs/dbraw/zinc/48/80/14/322488014.db2.gz ISESHLIUDUMKNC-BXUZGUMPSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCCO ZINC000562338916 327472526 /nfs/dbraw/zinc/47/25/26/327472526.db2.gz QDYYWNIZHUDZAB-LLVKDONJSA-N 0 3 252.314 2.326 20 5 CEBDHN CC1(C)C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396668218 329317078 /nfs/dbraw/zinc/31/70/78/329317078.db2.gz QUPXHSXBQLVYFK-LLVKDONJSA-N 0 3 280.324 2.131 20 5 CEBDHN Cc1ccsc1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000357666062 534470199 /nfs/dbraw/zinc/47/01/99/534470199.db2.gz NPXYYGYWZSETEK-UHFFFAOYSA-N 0 3 280.353 2.293 20 5 CEBDHN Cn1ccnc1[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451608 527462007 /nfs/dbraw/zinc/46/20/07/527462007.db2.gz VTTGSFMSOQUXHE-CYBMUJFWSA-N 0 3 286.335 2.318 20 5 CEBDHN Cc1ccnc(NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742426811 575021349 /nfs/dbraw/zinc/02/13/49/575021349.db2.gz CIFOKYBUPYZRLB-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@H]1CCCN1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743813294 575109887 /nfs/dbraw/zinc/10/98/87/575109887.db2.gz NDCDRCNHMJEZAV-NSHDSACASA-N 0 3 292.339 2.201 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccsc2)c1 ZINC000749677550 575229083 /nfs/dbraw/zinc/22/90/83/575229083.db2.gz PCCSNBCCZOKEBL-CYBMUJFWSA-N 0 3 278.333 2.480 20 5 CEBDHN CSCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101686 623018266 /nfs/dbraw/zinc/01/82/66/623018266.db2.gz GYOMEYMMJFWANO-VIFPVBQESA-N 0 3 269.322 2.372 20 5 CEBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813115381 623080886 /nfs/dbraw/zinc/08/08/86/623080886.db2.gz QLORMWYIFFEECV-QMMMGPOBSA-N 0 3 257.311 2.198 20 5 CEBDHN COc1c(O)ccc(CNC[C@@H](C)SC)c1[N+](=O)[O-] ZINC000893180434 628094970 /nfs/dbraw/zinc/09/49/70/628094970.db2.gz GJWQZHAOEHCQFV-MRVPVSSYSA-N 0 3 286.353 2.150 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](C)SC)c1[N+](=O)[O-] ZINC000893180434 628094974 /nfs/dbraw/zinc/09/49/74/628094974.db2.gz GJWQZHAOEHCQFV-MRVPVSSYSA-N 0 3 286.353 2.150 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000894119907 629141886 /nfs/dbraw/zinc/14/18/86/629141886.db2.gz LZNYAMHESYRPHB-SECBINFHSA-N 0 3 298.364 2.152 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCN(CC2CC2)CC1 ZINC000052165640 629180246 /nfs/dbraw/zinc/18/02/46/629180246.db2.gz LTQPKXLZYLHUFX-UHFFFAOYSA-N 0 3 293.342 2.262 20 5 CEBDHN COc1ccc(Cl)cc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813101889 632620671 /nfs/dbraw/zinc/62/06/71/632620671.db2.gz KUDRMRQMCARNBT-MRVPVSSYSA-N 0 3 287.699 2.100 20 5 CEBDHN CC(COC(=O)Cc1ccccc1C(F)(F)F)[N+](=O)[O-] ZINC000813103351 632621987 /nfs/dbraw/zinc/62/19/87/632621987.db2.gz PAWAOVOJSYHKCN-MRVPVSSYSA-N 0 3 291.225 2.456 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813103660 632623033 /nfs/dbraw/zinc/62/30/33/632623033.db2.gz DMEUBGUJNKFNTG-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cccnc1 ZINC000813104375 632623053 /nfs/dbraw/zinc/62/30/53/632623053.db2.gz ZJXZWFCPMAPSLH-CMPLNLGQSA-N 0 3 266.297 2.030 20 5 CEBDHN CC(C)c1noc2ncc(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000813106142 632623927 /nfs/dbraw/zinc/62/39/27/632623927.db2.gz ZGHBEGXDIVNXKJ-QMMMGPOBSA-N 0 3 293.279 2.168 20 5 CEBDHN CC(COC(=O)/C=C\c1ccc2[nH]ccc2c1)[N+](=O)[O-] ZINC000813105792 632623977 /nfs/dbraw/zinc/62/39/77/632623977.db2.gz UODFDRGBKKCPRM-TZGMSPROSA-N 0 3 274.276 2.390 20 5 CEBDHN CC(C)[C@@H]1C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813108760 632625152 /nfs/dbraw/zinc/62/51/52/632625152.db2.gz LKHOUKGHFSMPSJ-WOPDTQHZSA-N 0 3 273.329 2.036 20 5 CEBDHN CC(COC(=O)c1nccc2ccccc21)[N+](=O)[O-] ZINC000813108939 632625347 /nfs/dbraw/zinc/62/53/47/632625347.db2.gz CICDVDKRSRYWST-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112094 632627766 /nfs/dbraw/zinc/62/77/66/632627766.db2.gz ZNCBHJOPCUKXIG-IVZWLZJFSA-N 0 3 269.322 2.368 20 5 CEBDHN CCC(CC)n1nc(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113435 632628062 /nfs/dbraw/zinc/62/80/62/632628062.db2.gz PVZYOAXIEQUMFC-SNVBAGLBSA-N 0 3 283.328 2.375 20 5 CEBDHN CC(COC(=O)Cc1ccc(-n2cccc2)cc1)[N+](=O)[O-] ZINC000813114091 632628438 /nfs/dbraw/zinc/62/84/38/632628438.db2.gz MDCNUKDXXNCLET-GFCCVEGCSA-N 0 3 288.303 2.228 20 5 CEBDHN CC(COC(=O)CCc1ncc(C(C)(C)C)o1)[N+](=O)[O-] ZINC000813113031 632628599 /nfs/dbraw/zinc/62/85/99/632628599.db2.gz WOIVTVFPKCNPNU-VIFPVBQESA-N 0 3 284.312 2.113 20 5 CEBDHN COCc1c2ccccc2oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113013 632628669 /nfs/dbraw/zinc/62/86/69/632628669.db2.gz NWLKPTZOWSVDKG-VIFPVBQESA-N 0 3 293.275 2.401 20 5 CEBDHN COc1ccc2nc(C(=O)OCC(C)[N+](=O)[O-])ccc2c1 ZINC000813114696 632628715 /nfs/dbraw/zinc/62/87/15/632628715.db2.gz VJBIBBORVIGFRN-SECBINFHSA-N 0 3 290.275 2.065 20 5 CEBDHN CC(C)Oc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813113904 632628838 /nfs/dbraw/zinc/62/88/38/632628838.db2.gz KNDOTXVDJZFQQW-NSHDSACASA-N 0 3 281.308 2.225 20 5 CEBDHN CC(COC(=O)[C@@H](c1ccccc1)C1CC1)[N+](=O)[O-] ZINC000813115458 632629201 /nfs/dbraw/zinc/62/92/01/632629201.db2.gz SRTCNTGFTFWNRF-GWCFXTLKSA-N 0 3 263.293 2.389 20 5 CEBDHN Cc1ccc2snc(C(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000816091441 633115811 /nfs/dbraw/zinc/11/58/11/633115811.db2.gz WZCFPULYODSZEF-QMMMGPOBSA-N 0 3 280.305 2.427 20 5 CEBDHN COC[C@@H](C)N[C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056006 634948703 /nfs/dbraw/zinc/94/87/03/634948703.db2.gz OVRHCDWHENMROL-ZJUUUORDSA-N 0 3 268.313 2.289 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2COC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903223603 635023185 /nfs/dbraw/zinc/02/31/85/635023185.db2.gz HQVZCWZKKUYZMB-PKFCDNJMSA-N 0 3 280.324 2.289 20 5 CEBDHN O=[N+]([O-])CCNCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905365405 636246986 /nfs/dbraw/zinc/24/69/86/636246986.db2.gz PJPRXPVEZAVTGK-NSHDSACASA-N 0 3 293.150 2.283 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H]2C2CC2)cc1 ZINC000834382182 637806113 /nfs/dbraw/zinc/80/61/13/637806113.db2.gz FTTLXGKGXRUIRO-UONOGXRCSA-N 0 3 262.309 2.113 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044725811 639359008 /nfs/dbraw/zinc/35/90/08/639359008.db2.gz HKWJFLXSKYMBPJ-SECBINFHSA-N 0 3 265.288 2.383 20 5 CEBDHN CC[C@H](N)c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000229937098 639724832 /nfs/dbraw/zinc/72/48/32/639724832.db2.gz QUZUIJARRQSFEW-JTQLQIEISA-N 0 3 295.730 2.298 20 5 CEBDHN CNC(=O)C(C)(C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230396607 639757689 /nfs/dbraw/zinc/75/76/89/639757689.db2.gz ZDESJPXAXZKSLC-UHFFFAOYSA-N 0 3 299.758 2.110 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000089168856 640143171 /nfs/dbraw/zinc/14/31/71/640143171.db2.gz SFFCKWKQRVKMQW-MFKMUULPSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844451296 640732591 /nfs/dbraw/zinc/73/25/91/640732591.db2.gz OKKBSWRLMLWNMD-TXEJJXNPSA-N 0 3 268.263 2.334 20 5 CEBDHN CC([C@H](OC(=O)C1=COCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879422 641117995 /nfs/dbraw/zinc/11/79/95/641117995.db2.gz VBATXWREKLIPLE-RNCFNFMXSA-N 0 3 295.266 2.379 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)c1ccco1 ZINC000757817590 644849079 /nfs/dbraw/zinc/84/90/79/644849079.db2.gz HVMBQPBJQUAGDX-ZDUSSCGKSA-N 0 3 276.292 2.319 20 5 CEBDHN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849351 645816461 /nfs/dbraw/zinc/81/64/61/645816461.db2.gz PAOZLWFXPYXVLP-JOYOIKCWSA-N 0 3 293.348 2.436 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(NCCN2CCCC2)c1 ZINC000770966266 646464895 /nfs/dbraw/zinc/46/48/95/646464895.db2.gz MYDUKSBTMCCKAZ-UHFFFAOYSA-N 0 3 283.303 2.250 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cs1 ZINC000865691438 647425689 /nfs/dbraw/zinc/42/56/89/647425689.db2.gz BBYNPTZKOOKWHK-CXWACVEQSA-N 0 3 280.349 2.169 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCNC(=O)C(C)C ZINC000873007872 649529607 /nfs/dbraw/zinc/52/96/07/649529607.db2.gz IPNRULNMWCPZAT-UHFFFAOYSA-N 0 3 293.367 2.073 20 5 CEBDHN C[C@H](NCCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127417 649728089 /nfs/dbraw/zinc/72/80/89/649728089.db2.gz SLYQXGPYBYCDRZ-LBPRGKRZSA-N 0 3 291.351 2.258 20 5 CEBDHN COc1ccc(OCCN2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880292993 651416636 /nfs/dbraw/zinc/41/66/36/651416636.db2.gz CBBHVGPHOBKINF-LLVKDONJSA-N 0 3 298.314 2.274 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881963662 651926813 /nfs/dbraw/zinc/92/68/13/651926813.db2.gz CYJIIXYZSMLJAB-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN Cc1[nH]nc(CNCc2ccc([N+](=O)[O-])cc2)c1C ZINC000716449318 815124865 /nfs/dbraw/zinc/12/48/65/815124865.db2.gz ZXAVMUORGAKEOZ-UHFFFAOYSA-N 0 3 260.297 2.225 20 5 CEBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nccc1CN ZINC001162597144 809682729 /nfs/dbraw/zinc/68/27/29/809682729.db2.gz DUMWUJUJELVSMY-UHFFFAOYSA-N 0 3 296.714 2.210 20 5 CEBDHN Cc1cccc2c1[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966482 811318259 /nfs/dbraw/zinc/31/82/59/811318259.db2.gz IMKBUXWQPNYMAN-SUNKGSAMSA-N 0 3 289.335 2.023 20 5 CEBDHN Cc1ccc(C2(N[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974512 811323411 /nfs/dbraw/zinc/32/34/11/811323411.db2.gz RBNYSFJHQNBLID-UKRRQHHQSA-N 0 3 290.363 2.256 20 5 CEBDHN Cc1ccccc1C1(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168994121 811324823 /nfs/dbraw/zinc/32/48/23/811324823.db2.gz PKEIHFUZTIMYAK-KGLIPLIRSA-N 0 3 290.363 2.256 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([O-])cc2F)C1 ZINC001168988124 811337168 /nfs/dbraw/zinc/33/71/68/811337168.db2.gz OBCFQVWZWZABNB-MWLCHTKSSA-N 0 3 268.288 2.066 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3occc3C2)C1 ZINC001169039955 811348832 /nfs/dbraw/zinc/34/88/32/811348832.db2.gz WHICRCIKVSXCRL-JQWIXIFHSA-N 0 3 250.298 2.083 20 5 CEBDHN CN1CCC[C@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157266733 812063848 /nfs/dbraw/zinc/06/38/48/812063848.db2.gz WJPSCQFUQACBRC-ONGXEEELSA-N 0 3 296.758 2.174 20 5 CEBDHN CCN1CC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712597350 814755686 /nfs/dbraw/zinc/75/56/86/814755686.db2.gz XHCSMEDFPDKERB-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(C)cn1 ZINC001173217494 815624757 /nfs/dbraw/zinc/62/47/57/815624757.db2.gz VPYMNFGWMUFCBB-NSHDSACASA-N 0 3 274.324 2.049 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(C)cn1 ZINC001173217493 815624953 /nfs/dbraw/zinc/62/49/53/815624953.db2.gz VPYMNFGWMUFCBB-LLVKDONJSA-N 0 3 274.324 2.049 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)C2=O ZINC001173233722 815632367 /nfs/dbraw/zinc/63/23/67/815632367.db2.gz MOUYFFHLZRDEBY-FPMFFAJLSA-N 0 3 288.347 2.437 20 5 CEBDHN Cc1nc(NC[C@@H]2CCCCN2C)ccc1[N+](=O)[O-] ZINC000123921617 816682778 /nfs/dbraw/zinc/68/27/78/816682778.db2.gz ZZEJWDLPYXNOLQ-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN CN(CCCn1ccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000124406202 187136106 /nfs/dbraw/zinc/13/61/06/187136106.db2.gz IJOXFKSUCLPLGF-UHFFFAOYSA-N 0 3 274.324 2.313 20 5 CEBDHN CCN1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000032806242 361757082 /nfs/dbraw/zinc/75/70/82/361757082.db2.gz ZBTAINUNUDBSJV-SECBINFHSA-N 0 3 295.368 2.200 20 5 CEBDHN C[C@@H](NC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737838 361925393 /nfs/dbraw/zinc/92/53/93/361925393.db2.gz HLSLJXQTVLHJRU-MNOVXSKESA-N 0 3 250.298 2.282 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCOC2)c1 ZINC000037738570 361925489 /nfs/dbraw/zinc/92/54/89/361925489.db2.gz OXGJOLDYCGLBKW-VIFPVBQESA-N 0 3 270.716 2.374 20 5 CEBDHN Cc1nnsc1CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449333118 282190971 /nfs/dbraw/zinc/19/09/71/282190971.db2.gz ACBDJNVBCISRNG-VIFPVBQESA-N 0 3 292.364 2.476 20 5 CEBDHN CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000042588957 362105114 /nfs/dbraw/zinc/10/51/14/362105114.db2.gz OYNAHPFZQSZCBU-CQSZACIVSA-N 0 3 293.367 2.301 20 5 CEBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046885653 343506558 /nfs/dbraw/zinc/50/65/58/343506558.db2.gz NWUSZCQXUFJMAQ-UHFFFAOYSA-N 0 3 288.307 2.237 20 5 CEBDHN Cc1nn(C)c(NC[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000052101818 343555958 /nfs/dbraw/zinc/55/59/58/343555958.db2.gz IDXPJBNBGZWVJE-QWRGUYRKSA-N 0 3 295.387 2.312 20 5 CEBDHN C[C@@H](CC(C)(C)O)NCc1ccccc1[N+](=O)[O-] ZINC000295057528 199322722 /nfs/dbraw/zinc/32/27/22/199322722.db2.gz OAQGEXWSLZMGTA-JTQLQIEISA-N 0 3 252.314 2.234 20 5 CEBDHN Cc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000068342432 343762283 /nfs/dbraw/zinc/76/22/83/343762283.db2.gz IBJYEAITOQYMFZ-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2CCO)cc1 ZINC000069249334 343784060 /nfs/dbraw/zinc/78/40/60/343784060.db2.gz YNXJLHNLETYFLO-CYBMUJFWSA-N 0 3 294.351 2.211 20 5 CEBDHN CCC1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075858694 343869389 /nfs/dbraw/zinc/86/93/89/343869389.db2.gz VZKBCGIAQSEIED-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078667867 343960983 /nfs/dbraw/zinc/96/09/83/343960983.db2.gz MHKUKKRLHINCJR-OLZOCXBDSA-N 0 3 292.383 2.465 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC(c2nc[nH]n2)CC1 ZINC000083443668 344077551 /nfs/dbraw/zinc/07/75/51/344077551.db2.gz DHPUSVAIWAHGBW-UHFFFAOYSA-N 0 3 287.323 2.093 20 5 CEBDHN COCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963309 362387804 /nfs/dbraw/zinc/38/78/04/362387804.db2.gz FGKYFGCJUBNDQY-UHFFFAOYSA-N 0 3 258.705 2.374 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCCC[C@@H]2CO)c1 ZINC000156961796 344444268 /nfs/dbraw/zinc/44/42/68/344444268.db2.gz XYOWNOMKNJWOOU-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN CC[C@@H](C)CN(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481181 347052996 /nfs/dbraw/zinc/05/29/96/347052996.db2.gz AKZDHVHOGJEQPC-SNVBAGLBSA-N 0 3 254.334 2.196 20 5 CEBDHN CN1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227865165 344557015 /nfs/dbraw/zinc/55/70/15/344557015.db2.gz QKSDEZKFBQLHJK-NSHDSACASA-N 0 3 287.323 2.044 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCC[C@@H]1CCO1 ZINC000602517018 347064492 /nfs/dbraw/zinc/06/44/92/347064492.db2.gz VIRJZDVKUVFPBU-GFCCVEGCSA-N 0 3 250.298 2.254 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401145843 344866265 /nfs/dbraw/zinc/86/62/65/344866265.db2.gz BPFCOVOTCISPIW-SNVBAGLBSA-N 0 3 268.292 2.025 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCN(C2CC2)C1 ZINC000401190264 344867394 /nfs/dbraw/zinc/86/73/94/344867394.db2.gz QTVITQBFGNDQFK-VIFPVBQESA-N 0 3 280.303 2.025 20 5 CEBDHN Cc1ccc(CN2CC[C@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789794 282368951 /nfs/dbraw/zinc/36/89/51/282368951.db2.gz IGZYOXHUENPNKT-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN CN1C[C@@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590010789 345110129 /nfs/dbraw/zinc/11/01/29/345110129.db2.gz UJDYCTLZSJGCRE-LKFCYVNXSA-N 0 3 297.305 2.009 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCCC[C@H]2CO)c1 ZINC000594014851 345567198 /nfs/dbraw/zinc/56/71/98/345567198.db2.gz OOCOTEPIVWEOOL-AWEZNQCLSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1c(CN(C[C@@H](C)O)C2CC2)cccc1[N+](=O)[O-] ZINC000594056221 345576039 /nfs/dbraw/zinc/57/60/39/345576039.db2.gz RYRXMUFAIBVIQA-SNVBAGLBSA-N 0 3 264.325 2.248 20 5 CEBDHN CC(C)(CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503426 345639581 /nfs/dbraw/zinc/63/95/81/345639581.db2.gz VXHUUKJGBBQSHW-GFCCVEGCSA-N 0 3 264.325 2.190 20 5 CEBDHN CC[C@@H](NC[C@@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507503 345640275 /nfs/dbraw/zinc/64/02/75/345640275.db2.gz FNUHZHFHSXJKEI-KGLIPLIRSA-N 0 3 282.340 2.033 20 5 CEBDHN COCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000594516628 345642069 /nfs/dbraw/zinc/64/20/69/345642069.db2.gz YDVJLWSOOXSGIA-UHFFFAOYSA-N 0 3 256.327 2.173 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1C[C@H](O)C1)CCC2 ZINC000595101244 345742270 /nfs/dbraw/zinc/74/22/70/345742270.db2.gz CMYQHXHFAQWSEY-JKOKRWQUSA-N 0 3 262.309 2.085 20 5 CEBDHN CC(C)=CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595286274 345754030 /nfs/dbraw/zinc/75/40/30/345754030.db2.gz GOXRNZZJXOCTOW-UHFFFAOYSA-N 0 3 290.367 2.468 20 5 CEBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000594954011 345715029 /nfs/dbraw/zinc/71/50/29/345715029.db2.gz VVRQQEFBSFMVKS-UKRRQHHQSA-N 0 3 294.351 2.044 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[C@@H](O)C1 ZINC000595041013 345733280 /nfs/dbraw/zinc/73/32/80/345733280.db2.gz OMFIYCBCZVXVBB-GMXVVIOVSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CO)C1CCC1 ZINC000595056959 345736289 /nfs/dbraw/zinc/73/62/89/345736289.db2.gz UNOIJCXIORVZCX-YGRLFVJLSA-N 0 3 294.351 2.415 20 5 CEBDHN Cc1noc(CN(C)C(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000595550320 345810183 /nfs/dbraw/zinc/81/01/83/345810183.db2.gz HAABHNHGWDGZGI-UHFFFAOYSA-N 0 3 296.371 2.197 20 5 CEBDHN CCC(C)(C)N1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595558608 345813138 /nfs/dbraw/zinc/81/31/38/345813138.db2.gz CDVZFLNRBDGFAD-UHFFFAOYSA-N 0 3 296.371 2.197 20 5 CEBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000595316698 345760844 /nfs/dbraw/zinc/76/08/44/345760844.db2.gz IWDINLNTNBCBDB-CQSZACIVSA-N 0 3 293.342 2.402 20 5 CEBDHN CC(C)(C)[C@H](CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595458329 345788437 /nfs/dbraw/zinc/78/84/37/345788437.db2.gz GOOZUOKYPJBAFL-LBPRGKRZSA-N 0 3 270.304 2.231 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595521643 345802554 /nfs/dbraw/zinc/80/25/54/345802554.db2.gz JSSBUIWGJOXPLQ-GFCCVEGCSA-N 0 3 268.288 2.391 20 5 CEBDHN Cc1cc(NCCN(C)C2CC2)c([N+](=O)[O-])s1 ZINC000596090131 345937112 /nfs/dbraw/zinc/93/71/12/345937112.db2.gz LWIKPNVYCPBJHE-UHFFFAOYSA-N 0 3 255.343 2.471 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C2CC2)C1 ZINC000596090936 345937962 /nfs/dbraw/zinc/93/79/62/345937962.db2.gz SDVJFBVDFMWILG-LBPRGKRZSA-N 0 3 291.351 2.390 20 5 CEBDHN COCCN1CCC[C@H]1CNc1cc(C)sc1[N+](=O)[O-] ZINC000596110964 345942134 /nfs/dbraw/zinc/94/21/34/345942134.db2.gz SVKLECKNFIAPJJ-NSHDSACASA-N 0 3 299.396 2.487 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1CN(C)C1 ZINC000597202667 346147328 /nfs/dbraw/zinc/14/73/28/346147328.db2.gz HTDOXUYLAUFMGH-FNORWQNLSA-N 0 3 275.352 2.101 20 5 CEBDHN CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597944447 346256172 /nfs/dbraw/zinc/25/61/72/346256172.db2.gz CWSKAMVCSUZAIH-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CN(CCNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000062010320 362701373 /nfs/dbraw/zinc/70/13/73/362701373.db2.gz GINGPLFQKDUZDO-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H](O)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067245 346454797 /nfs/dbraw/zinc/45/47/97/346454797.db2.gz YEPVYUBANINLKD-NILFDRSVSA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@H](NC[C@@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066527 346454819 /nfs/dbraw/zinc/45/48/19/346454819.db2.gz RRYZWNXMKWQNSM-RRFJBIMHSA-N 0 3 294.351 2.175 20 5 CEBDHN C[C@@H](NCCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089021 346458595 /nfs/dbraw/zinc/45/85/95/346458595.db2.gz LCOYABQARGCIOR-SNVBAGLBSA-N 0 3 287.310 2.442 20 5 CEBDHN CC[C@@H](C)CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149332 346770100 /nfs/dbraw/zinc/77/01/00/346770100.db2.gz LKIIVONGMIBVAG-BXUZGUMPSA-N 0 3 266.341 2.438 20 5 CEBDHN CCOc1cc(N2CC(N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000601193340 346782592 /nfs/dbraw/zinc/78/25/92/346782592.db2.gz FWTHKNSMWYHJQT-UHFFFAOYSA-N 0 3 291.351 2.278 20 5 CEBDHN C[C@@H]1CCC(C)(C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836914 347219094 /nfs/dbraw/zinc/21/90/94/347219094.db2.gz INTPTAFXHKLMBL-SECBINFHSA-N 0 3 252.318 2.091 20 5 CEBDHN CC[C@@H](NCC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982679 179210280 /nfs/dbraw/zinc/21/02/80/179210280.db2.gz HICNWSVICORTIO-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@H](CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000609833612 347652440 /nfs/dbraw/zinc/65/24/40/347652440.db2.gz OYFQFYBTBXNUAV-CYBMUJFWSA-N 0 3 291.351 2.199 20 5 CEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000609851252 347653022 /nfs/dbraw/zinc/65/30/22/347653022.db2.gz ZEJIHYRYMVHQFD-NSHDSACASA-N 0 3 297.380 2.261 20 5 CEBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000611370623 347770370 /nfs/dbraw/zinc/77/03/70/347770370.db2.gz LLRPJIJUNZWSCJ-SECBINFHSA-N 0 3 255.343 2.410 20 5 CEBDHN COc1ccc(CNC[C@@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000336895135 365939049 /nfs/dbraw/zinc/93/90/49/365939049.db2.gz MOJYZTUQNPBFGS-NHYWBVRUSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000615034171 348270079 /nfs/dbraw/zinc/27/00/79/348270079.db2.gz CSYDGRJTTRUGEO-LLVKDONJSA-N 0 3 292.339 2.119 20 5 CEBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000273997346 192395188 /nfs/dbraw/zinc/39/51/88/192395188.db2.gz KKFHEUVZQGCLLD-MNOVXSKESA-N 0 3 280.324 2.272 20 5 CEBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000619567080 349200328 /nfs/dbraw/zinc/20/03/28/349200328.db2.gz MTYVEPNPEXNLOS-ZDUSSCGKSA-N 0 3 291.351 2.151 20 5 CEBDHN COc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090539714 180000361 /nfs/dbraw/zinc/00/03/61/180000361.db2.gz SSXOCMLOVGJTDM-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN CCN(C[C@H](C)O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204398 219360042 /nfs/dbraw/zinc/36/00/42/219360042.db2.gz XPUPIDHHLKBVAB-QWRGUYRKSA-N 0 3 252.314 2.359 20 5 CEBDHN CC(C)N(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291946391 198114661 /nfs/dbraw/zinc/11/46/61/198114661.db2.gz UJHJYFLYYXFPIX-ZDUSSCGKSA-N 0 3 294.351 2.473 20 5 CEBDHN COCC(C)(C)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000292235807 198211994 /nfs/dbraw/zinc/21/19/94/198211994.db2.gz WGHQUPWGDDJMTM-UHFFFAOYSA-N 0 3 282.340 2.330 20 5 CEBDHN CNC(=O)CCCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154862057 188166373 /nfs/dbraw/zinc/16/63/73/188166373.db2.gz UWVXIEDBZCJGEW-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451553431 283032647 /nfs/dbraw/zinc/03/26/47/283032647.db2.gz YQSSFYCTWUQNJI-IUODEOHRSA-N 0 3 294.351 2.330 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000364986293 283079099 /nfs/dbraw/zinc/07/90/99/283079099.db2.gz LCOAZHSTFGENBS-QMTHXVAHSA-N 0 3 279.315 2.264 20 5 CEBDHN COC[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000452045412 283170183 /nfs/dbraw/zinc/17/01/83/283170183.db2.gz XDZFKODIDMCQTJ-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN CO[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344542 363538269 /nfs/dbraw/zinc/53/82/69/363538269.db2.gz DACZRJMBDFQLHD-CQSZACIVSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C)CCCCN1 ZINC000136166805 366500256 /nfs/dbraw/zinc/50/02/56/366500256.db2.gz VIMODLKNBRYHDJ-OAHLLOKOSA-N 0 3 291.351 2.085 20 5 CEBDHN CCC[C@@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000295163764 283522683 /nfs/dbraw/zinc/52/26/83/283522683.db2.gz SNRFIKICFWRZDX-NSHDSACASA-N 0 3 298.339 2.214 20 5 CEBDHN CCOC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081519054 363722885 /nfs/dbraw/zinc/72/28/85/363722885.db2.gz LRCKCDHGVYATRJ-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1c(C(=O)N(CCN(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000151987507 366681107 /nfs/dbraw/zinc/68/11/07/366681107.db2.gz LBIGSQQGHYOCLT-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN CCOC[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000081521068 363725568 /nfs/dbraw/zinc/72/55/68/363725568.db2.gz DCZCLOWXXOEBJE-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN COCC[C@@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178373463 189111126 /nfs/dbraw/zinc/11/11/26/189111126.db2.gz KDTYSVXLENEKSK-IUODEOHRSA-N 0 3 296.367 2.341 20 5 CEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181349553 189294465 /nfs/dbraw/zinc/29/44/65/189294465.db2.gz AZNHJZVPCLXKLI-LBPRGKRZSA-N 0 3 287.319 2.107 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1[O-] ZINC000342299234 216299953 /nfs/dbraw/zinc/29/99/53/216299953.db2.gz LKYBPSUQJGYYSQ-VHSXEESVSA-N 0 3 284.287 2.289 20 5 CEBDHN Cc1nn(CCN2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000154187031 366761572 /nfs/dbraw/zinc/76/15/72/366761572.db2.gz XBKZFIYWHOKRII-UHFFFAOYSA-N 0 3 266.345 2.140 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC[C@H](C)O ZINC000183355160 189356773 /nfs/dbraw/zinc/35/67/73/189356773.db2.gz ADMAZXYLSVONQS-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000090795016 364063885 /nfs/dbraw/zinc/06/38/85/364063885.db2.gz MXNVLMBECOFMTM-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN CC(C)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774325 364295894 /nfs/dbraw/zinc/29/58/94/364295894.db2.gz UNHDZUGEFDLEJG-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN CCC[C@@H](N)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120797009 365476590 /nfs/dbraw/zinc/47/65/90/365476590.db2.gz ZJUQJEDSURWMRW-OLZOCXBDSA-N 0 3 279.340 2.290 20 5 CEBDHN CCC(CC)(CO)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000120505785 365433799 /nfs/dbraw/zinc/43/37/99/365433799.db2.gz XUPAVBYAIWFFEE-UHFFFAOYSA-N 0 3 296.367 2.492 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@@H]1O ZINC000159535360 366923961 /nfs/dbraw/zinc/92/39/61/366923961.db2.gz AJAQAFFOABXHSB-JSGCOSHPSA-N 0 3 264.325 2.188 20 5 CEBDHN CCCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000340969601 367113241 /nfs/dbraw/zinc/11/32/41/367113241.db2.gz NGFVNRZQNVEFGA-NSHDSACASA-N 0 3 295.387 2.177 20 5 CEBDHN CO[C@H]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000341288197 367270505 /nfs/dbraw/zinc/27/05/05/367270505.db2.gz ZRMSIMZIHPAXKG-JSGCOSHPSA-N 0 3 264.325 2.500 20 5 CEBDHN CO[C@H]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000170817643 367423486 /nfs/dbraw/zinc/42/34/86/367423486.db2.gz ZLIDKEJIAUEUGF-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCO1 ZINC000342592012 367438361 /nfs/dbraw/zinc/43/83/61/367438361.db2.gz FDGLNKUGRIUQPT-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H]1C[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000172621684 367790281 /nfs/dbraw/zinc/79/02/81/367790281.db2.gz ZSCJTPTVTUVVKY-GXSJLCMTSA-N 0 3 297.380 2.211 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343439097 367815817 /nfs/dbraw/zinc/81/58/17/367815817.db2.gz IWYNEVFAVHLLCF-RISCZKNCSA-N 0 3 291.351 2.116 20 5 CEBDHN CC[C@H](C)[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000304063016 201630574 /nfs/dbraw/zinc/63/05/74/201630574.db2.gz RFKPPPILIJQAKE-FZMZJTMJSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338681 368643125 /nfs/dbraw/zinc/64/31/25/368643125.db2.gz RTZLZVDSFJFWJQ-ITQIOGMESA-N 0 3 288.347 2.311 20 5 CEBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000184736820 368715764 /nfs/dbraw/zinc/71/57/64/368715764.db2.gz FKQDPUFOMOYMID-MNOVXSKESA-N 0 3 280.324 2.272 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246160444 370917938 /nfs/dbraw/zinc/91/79/38/370917938.db2.gz QKJXKNAAWCYVEV-OLZOCXBDSA-N 0 3 296.396 2.151 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]3CCC[C@H]32)n1 ZINC000246243380 370934295 /nfs/dbraw/zinc/93/42/95/370934295.db2.gz SAWKLKBZNFBULX-VXGBXAGGSA-N 0 3 264.329 2.056 20 5 CEBDHN CCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000348554379 369088091 /nfs/dbraw/zinc/08/80/91/369088091.db2.gz YBBFOXVAILUWCX-ZDUSSCGKSA-N 0 3 277.368 2.429 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000348557359 369089106 /nfs/dbraw/zinc/08/91/06/369089106.db2.gz QJWGQHXBUGUYHO-IORUMNFESA-N 0 3 276.336 2.453 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000348557360 369089343 /nfs/dbraw/zinc/08/93/43/369089343.db2.gz QJWGQHXBUGUYHO-JFOCPDPESA-N 0 3 276.336 2.453 20 5 CEBDHN C[C@@H](NCCc1cncn1C)c1ccccc1[N+](=O)[O-] ZINC000276514879 193364587 /nfs/dbraw/zinc/36/45/87/193364587.db2.gz BHVSESOASJGIMV-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540485 369779157 /nfs/dbraw/zinc/77/91/57/369779157.db2.gz LRUWWFZSGASLOP-LBPRGKRZSA-N 0 3 280.324 2.072 20 5 CEBDHN Cc1cnn(CCN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000352545603 369781669 /nfs/dbraw/zinc/78/16/69/369781669.db2.gz YONBZEIRWCFUSR-UHFFFAOYSA-N 0 3 288.351 2.274 20 5 CEBDHN COc1cc(CN2CCN(C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352767880 369875338 /nfs/dbraw/zinc/87/53/38/369875338.db2.gz DAMJBCMGRPSWRN-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN CCC[C@H](N[C@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223959002 370275214 /nfs/dbraw/zinc/27/52/14/370275214.db2.gz AYXHLXCULMLOOG-HIFRSBDPSA-N 0 3 296.367 2.423 20 5 CEBDHN COc1cc(NC[C@@H](C)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000227537190 370372234 /nfs/dbraw/zinc/37/22/34/370372234.db2.gz ATWSENNZWINSPU-MRVPVSSYSA-N 0 3 271.292 2.105 20 5 CEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N(C)C ZINC000227649074 370378572 /nfs/dbraw/zinc/37/85/72/370378572.db2.gz JUKXGJUYXCFJOG-ZETCQYMHSA-N 0 3 258.709 2.005 20 5 CEBDHN C[C@H](CO)CCCNCc1csc([N+](=O)[O-])c1 ZINC000230159979 370442381 /nfs/dbraw/zinc/44/23/81/370442381.db2.gz ALLZBTKPQSJEHF-VIFPVBQESA-N 0 3 258.343 2.155 20 5 CEBDHN Cn1ccc(CCNCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000230881542 370468123 /nfs/dbraw/zinc/46/81/23/370468123.db2.gz ZNQZYJQPVFMJRN-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CN(CCCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000231730172 370492272 /nfs/dbraw/zinc/49/22/72/370492272.db2.gz XTIYORNCNGXVFF-UHFFFAOYSA-N 0 3 252.314 2.189 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]([C@H](C)O)C2)cc1[N+](=O)[O-] ZINC000248422991 371193190 /nfs/dbraw/zinc/19/31/90/371193190.db2.gz YWMJYCGISZZMRJ-WCQYABFASA-N 0 3 264.325 2.106 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000250137211 371379166 /nfs/dbraw/zinc/37/91/66/371379166.db2.gz YIIWNQFWUKZHAE-ZOWXZIJZSA-N 0 3 292.335 2.261 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)C1(C)C ZINC000361065543 371631035 /nfs/dbraw/zinc/63/10/35/371631035.db2.gz KQNFPTHYKLDYMA-CYBMUJFWSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(N)s1 ZINC000261638909 371687528 /nfs/dbraw/zinc/68/75/28/371687528.db2.gz KRTPGIXQRNIUOX-UHFFFAOYSA-N 0 3 292.364 2.308 20 5 CEBDHN CC(C)N(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361402066 371830451 /nfs/dbraw/zinc/83/04/51/371830451.db2.gz GHZYPNYBHDQNDK-AWEZNQCLSA-N 0 3 294.351 2.473 20 5 CEBDHN CCC[C@@H](N[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796053 372227069 /nfs/dbraw/zinc/22/70/69/372227069.db2.gz BRXHUUZRGRTHEY-GXTWGEPZSA-N 0 3 291.351 2.256 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H](C)OC ZINC000268945931 372298059 /nfs/dbraw/zinc/29/80/59/372298059.db2.gz WPOLGPUMUHIQJF-NXEZZACHSA-N 0 3 268.313 2.116 20 5 CEBDHN C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000269621835 372509201 /nfs/dbraw/zinc/50/92/01/372509201.db2.gz BAMNGDSHPUGZJQ-UHIISALHSA-N 0 3 264.325 2.216 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)C1CC1 ZINC000344407238 217184350 /nfs/dbraw/zinc/18/43/50/217184350.db2.gz JPUWYEPTGWAVJO-OAHLLOKOSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000270085209 372659922 /nfs/dbraw/zinc/65/99/22/372659922.db2.gz JPIBZGMVEDQPLM-IUODEOHRSA-N 0 3 294.351 2.066 20 5 CEBDHN COCCCN1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000363994010 372654662 /nfs/dbraw/zinc/65/46/62/372654662.db2.gz QUXSCORAXNVACQ-UHFFFAOYSA-N 0 3 293.367 2.143 20 5 CEBDHN CSC[C@@](C)(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000344508190 217217208 /nfs/dbraw/zinc/21/72/08/217217208.db2.gz DGPKTRKOQCGQCB-VSKVDJIOSA-N 0 3 296.392 2.312 20 5 CEBDHN COc1ccc(CN2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353453935 220090722 /nfs/dbraw/zinc/09/07/22/220090722.db2.gz HORNDKYINIZDEB-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN Cc1ccc(C(C)(C)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000353574687 220168223 /nfs/dbraw/zinc/16/82/23/220168223.db2.gz YKHNUANUKREEFV-UHFFFAOYSA-N 0 3 289.339 2.020 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2OCC[C@H]2C1 ZINC000369662764 373481339 /nfs/dbraw/zinc/48/13/39/373481339.db2.gz GSLDUBVNJRWICV-GXTWGEPZSA-N 0 3 292.335 2.084 20 5 CEBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000274498079 373943010 /nfs/dbraw/zinc/94/30/10/373943010.db2.gz RJCBMQFBRQWJQF-UHFFFAOYSA-N 0 3 284.747 2.174 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H](CO)C1 ZINC000276829683 374315768 /nfs/dbraw/zinc/31/57/68/374315768.db2.gz WJQHOJJZAJVCBB-WOPDTQHZSA-N 0 3 264.325 2.216 20 5 CEBDHN CCCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000374224634 374516611 /nfs/dbraw/zinc/51/66/11/374516611.db2.gz WHFMLESLFOVTLQ-UHFFFAOYSA-N 0 3 291.351 2.153 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC2CCC2)cc1 ZINC000279948050 375042322 /nfs/dbraw/zinc/04/23/22/375042322.db2.gz ZFRXRLQGEZVEKW-CYBMUJFWSA-N 0 3 264.325 2.236 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)O ZINC000386813533 375266898 /nfs/dbraw/zinc/26/68/98/375266898.db2.gz SEIFNRXGDVBYEQ-PRHODGIISA-N 0 3 272.732 2.497 20 5 CEBDHN CC(C)OC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282372870 375468829 /nfs/dbraw/zinc/46/88/29/375468829.db2.gz FHMJOJQQSGDPDP-UHFFFAOYSA-N 0 3 294.351 2.411 20 5 CEBDHN Cc1ccc([C@@H](C)NCC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311347 375454733 /nfs/dbraw/zinc/45/47/33/375454733.db2.gz MZNFXTGRUUFONX-BIBXISHDSA-N 0 3 296.392 2.465 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282599608 375526663 /nfs/dbraw/zinc/52/66/63/375526663.db2.gz XUZBNHXOUXDNJW-CQSZACIVSA-N 0 3 282.315 2.471 20 5 CEBDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)O ZINC000387496369 321878637 /nfs/dbraw/zinc/87/86/37/321878637.db2.gz XBCQCDPMUQAYOU-CMPLNLGQSA-N 0 3 252.314 2.152 20 5 CEBDHN COCC[C@@H](C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414489773 375835613 /nfs/dbraw/zinc/83/56/13/375835613.db2.gz ZDNLYPRFASWTJZ-SNVBAGLBSA-N 0 3 298.339 2.071 20 5 CEBDHN Cc1ccc(NC(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000414667387 375910273 /nfs/dbraw/zinc/91/02/73/375910273.db2.gz XPMXBDPJCGICEK-WDEREUQCSA-N 0 3 292.339 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000414577680 375867417 /nfs/dbraw/zinc/86/74/17/375867417.db2.gz OZEFFZJPJNPQKJ-PWSUYJOCSA-N 0 3 282.315 2.375 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000286520483 375981405 /nfs/dbraw/zinc/98/14/05/375981405.db2.gz NEOZLEUEJXKUNU-LLVKDONJSA-N 0 3 281.331 2.260 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C1=CCN(C)CC1 ZINC000289754873 376482966 /nfs/dbraw/zinc/48/29/66/376482966.db2.gz VBYMTWYVOANOMF-JTQLQIEISA-N 0 3 293.371 2.182 20 5 CEBDHN CN(C)CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289892634 376548192 /nfs/dbraw/zinc/54/81/92/376548192.db2.gz SYWBOMLGUPKJKN-UHFFFAOYSA-N 0 3 271.748 2.242 20 5 CEBDHN C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000311987093 376698527 /nfs/dbraw/zinc/69/85/27/376698527.db2.gz RRYPVPSUMHSUQO-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCC[C@@H]1O ZINC000563415747 377216383 /nfs/dbraw/zinc/21/63/83/377216383.db2.gz FSRNPUDSUQONJD-YDHLFZDLSA-N 0 3 276.336 2.475 20 5 CEBDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000293167573 377453976 /nfs/dbraw/zinc/45/39/76/377453976.db2.gz VYIOWEFAPDXSFY-BXUZGUMPSA-N 0 3 264.325 2.236 20 5 CEBDHN CCN(CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000293276494 377501733 /nfs/dbraw/zinc/50/17/33/377501733.db2.gz COCHFXBVVYNXHP-LLVKDONJSA-N 0 3 292.383 2.312 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000332260876 377552496 /nfs/dbraw/zinc/55/24/96/377552496.db2.gz VLBRKGAIVXDHJO-ZNMIVQPWSA-N 0 3 290.363 2.496 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332260865 377552556 /nfs/dbraw/zinc/55/25/56/377552556.db2.gz VLBRKGAIVXDHJO-KKUMJFAQSA-N 0 3 290.363 2.496 20 5 CEBDHN Cc1c(CN2C[C@@H](C)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000293405683 377553840 /nfs/dbraw/zinc/55/38/40/377553840.db2.gz MBUZFFDTAYJLOE-TXEJJXNPSA-N 0 3 277.368 2.428 20 5 CEBDHN Cc1ccc(CN[C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313057634 249377132 /nfs/dbraw/zinc/37/71/32/249377132.db2.gz KOFVKKTUKFTSIU-ZDUSSCGKSA-N 0 3 264.325 2.418 20 5 CEBDHN CCOc1cc(CN[C@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733241 378282015 /nfs/dbraw/zinc/28/20/15/378282015.db2.gz MCMDHFOVLIPUJH-GHMZBOCLSA-N 0 3 282.340 2.100 20 5 CEBDHN CN1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296296613 378480609 /nfs/dbraw/zinc/48/06/09/378480609.db2.gz IGSWLMSQFHRQCR-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCCC1 ZINC000299415571 378989326 /nfs/dbraw/zinc/98/93/26/378989326.db2.gz UGPWEFOQWAYZMA-UHFFFAOYSA-N 0 3 291.351 2.316 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](O)C1 ZINC000347345998 218199801 /nfs/dbraw/zinc/19/98/01/218199801.db2.gz VDEPNAZFVVRNAP-SMJHDNPOSA-N 0 3 262.309 2.065 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CO)C1 ZINC000347360889 218204161 /nfs/dbraw/zinc/20/41/61/218204161.db2.gz PATAYSNHRQORIM-YRBHFNIASA-N 0 3 276.336 2.312 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](CO)C1 ZINC000347360885 218205324 /nfs/dbraw/zinc/20/53/24/218205324.db2.gz PATAYSNHRQORIM-WEKMIXOTSA-N 0 3 276.336 2.312 20 5 CEBDHN CCOC1CC(N(C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000347441490 218234742 /nfs/dbraw/zinc/23/47/42/218234742.db2.gz CXJOMVZLACFYEU-UHFFFAOYSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CCO[C@H]1C ZINC000515031275 379176754 /nfs/dbraw/zinc/17/67/54/379176754.db2.gz GDIIIIGUFKCRRD-SLEUVZQESA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1nn(C)c(N[C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000301307716 379253118 /nfs/dbraw/zinc/25/31/18/379253118.db2.gz ZWWCSNAMDDNHMH-LLVKDONJSA-N 0 3 293.371 2.066 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N(C)CCN(C)C1CC1 ZINC000302235064 379342709 /nfs/dbraw/zinc/34/27/09/379342709.db2.gz FBYORVYEHNTLNT-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN COc1ccc(CN(C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000303988418 379506142 /nfs/dbraw/zinc/50/61/42/379506142.db2.gz JYRQQXQQZGGFKC-NSHDSACASA-N 0 3 282.340 2.195 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089564 285095765 /nfs/dbraw/zinc/09/57/65/285095765.db2.gz BCRFENRHDHRXPW-GFCCVEGCSA-N 0 3 279.315 2.408 20 5 CEBDHN CC(C)(NC[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000420971787 394460104 /nfs/dbraw/zinc/46/01/04/394460104.db2.gz KVESOFAMQFDUMU-PHIMTYICSA-N 0 3 264.325 2.190 20 5 CEBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000421015225 394463398 /nfs/dbraw/zinc/46/33/98/394463398.db2.gz WYDFMNZDBYEAPJ-NSHDSACASA-N 0 3 281.331 2.260 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)CN(C)C ZINC000308636175 394529668 /nfs/dbraw/zinc/52/96/68/394529668.db2.gz KOKTXLGWFPXJKP-UHFFFAOYSA-N 0 3 281.356 2.033 20 5 CEBDHN C[C@@H]1CCC[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000331100619 394627824 /nfs/dbraw/zinc/62/78/24/394627824.db2.gz DAFSYOYSOBLUSE-VWYCJHECSA-N 0 3 266.345 2.243 20 5 CEBDHN C[C@@H](C1CCC1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000357039715 394690261 /nfs/dbraw/zinc/69/02/61/394690261.db2.gz NPQFPRACXOYFPG-JTQLQIEISA-N 0 3 291.351 2.314 20 5 CEBDHN COc1cccc(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000274689004 394799302 /nfs/dbraw/zinc/79/93/02/394799302.db2.gz JIYYGZBPUSACRC-UHFFFAOYSA-N 0 3 277.324 2.277 20 5 CEBDHN C[C@H](N[C@@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805631 394808291 /nfs/dbraw/zinc/80/82/91/394808291.db2.gz JQIXTIVECOKMID-NHYWBVRUSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131784975 394919498 /nfs/dbraw/zinc/91/94/98/394919498.db2.gz TYGHHZPXJZZGGX-AXFHLTTASA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@@H]2C)n1 ZINC000286243209 395017792 /nfs/dbraw/zinc/01/77/92/395017792.db2.gz FMMVXOVDPQZMLF-STQMWFEESA-N 0 3 290.367 2.361 20 5 CEBDHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135468992 394965854 /nfs/dbraw/zinc/96/58/54/394965854.db2.gz FHIINLMUKPDNPJ-AXFHLTTASA-N 0 3 252.314 2.262 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CSC[C@@H]1C ZINC000285885286 394979139 /nfs/dbraw/zinc/97/91/39/394979139.db2.gz JRGMQFJWKTTZMC-JOYOIKCWSA-N 0 3 282.365 2.445 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(C)[C@H]1C ZINC000343479167 395040017 /nfs/dbraw/zinc/04/00/17/395040017.db2.gz QNCBZRRHCYKRIT-JQWIXIFHSA-N 0 3 264.329 2.193 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2cncc(F)c2)c1 ZINC000494564488 395122738 /nfs/dbraw/zinc/12/27/38/395122738.db2.gz LBIBFBQEACRFSD-UHFFFAOYSA-N 0 3 275.283 2.461 20 5 CEBDHN CC[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293279994 395226451 /nfs/dbraw/zinc/22/64/51/395226451.db2.gz CUVVBGGTXVMAJH-GXTWGEPZSA-N 0 3 264.325 2.333 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]2Cc2ccccc2)n1 ZINC000437851528 395200736 /nfs/dbraw/zinc/20/07/36/395200736.db2.gz SQOKDJWNVAGKAP-CQSZACIVSA-N 0 3 286.335 2.108 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000439292352 395258055 /nfs/dbraw/zinc/25/80/55/395258055.db2.gz GFOKVXRXKYJDQW-HNNXBMFYSA-N 0 3 294.351 2.340 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC[C@H](C)C1 ZINC000192498285 395385411 /nfs/dbraw/zinc/38/54/11/395385411.db2.gz FNJGTPSSTWFTDL-NSHDSACASA-N 0 3 295.387 2.263 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000189633334 395331165 /nfs/dbraw/zinc/33/11/65/395331165.db2.gz DDBKLZYYJBOCCQ-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CO[C@@H](C)C1 ZINC000567898425 395540419 /nfs/dbraw/zinc/54/04/19/395540419.db2.gz POAVZAPJGWPUDR-CMPLNLGQSA-N 0 3 250.298 2.170 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451262252 395600600 /nfs/dbraw/zinc/60/06/00/395600600.db2.gz XCHUFIXYGRUEGN-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc(N2CC[C@H]3CCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375044156 292139022 /nfs/dbraw/zinc/13/90/22/292139022.db2.gz XYKVZYYKXBRJAL-IUODEOHRSA-N 0 3 275.352 2.434 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C2CC2)CC1 ZINC000195343148 153287171 /nfs/dbraw/zinc/28/71/71/153287171.db2.gz NEZJIJDFXGJRGT-UHFFFAOYSA-N 0 3 293.371 2.158 20 5 CEBDHN Cc1ccc(CNCCOCC2CC2)cc1[N+](=O)[O-] ZINC000224527129 153319429 /nfs/dbraw/zinc/31/94/29/153319429.db2.gz ZOAORFWUGGLBGC-UHFFFAOYSA-N 0 3 264.325 2.419 20 5 CEBDHN C[C@@H]1OCC[C@@]1(C)NCc1cccc([N+](=O)[O-])c1 ZINC000230151791 153381766 /nfs/dbraw/zinc/38/17/66/153381766.db2.gz BQEDCEQKEIEFBR-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN COc1ccc(CN[C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315894 153388844 /nfs/dbraw/zinc/38/88/44/153388844.db2.gz GYPPYWURVIBLIC-DOMZBBRYSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCC[C@@H](O)C2)cs1 ZINC000230667232 153398871 /nfs/dbraw/zinc/39/88/71/153398871.db2.gz AMUXYIREFOYAQD-MWLCHTKSSA-N 0 3 270.354 2.297 20 5 CEBDHN COc1cc(CN(C)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000352776817 154338650 /nfs/dbraw/zinc/33/86/50/154338650.db2.gz DRMSYSIADTXROS-UHFFFAOYSA-N 0 3 294.351 2.462 20 5 CEBDHN CCS[C@@H]1CCCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176240353 165158650 /nfs/dbraw/zinc/15/86/50/165158650.db2.gz CXSVXSVQSFMICQ-GFCCVEGCSA-N 0 3 298.412 2.399 20 5 CEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000246177321 165478191 /nfs/dbraw/zinc/47/81/91/165478191.db2.gz GSUGUNHJPYRUPL-LALPHHSUSA-N 0 3 294.351 2.439 20 5 CEBDHN CC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285163355 196211281 /nfs/dbraw/zinc/21/12/81/196211281.db2.gz AQAVAMZFIPBJNO-UHFFFAOYSA-N 0 3 250.298 2.048 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCOC1=O ZINC000285389238 196269740 /nfs/dbraw/zinc/26/97/40/196269740.db2.gz SHWHQVOBKYGZJU-ZDUSSCGKSA-N 0 3 292.335 2.022 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cnn(C)c1 ZINC000449095006 260211158 /nfs/dbraw/zinc/21/11/58/260211158.db2.gz VMRKCHRJCYJKQV-NSHDSACASA-N 0 3 274.324 2.049 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424325409 271045886 /nfs/dbraw/zinc/04/58/86/271045886.db2.gz KRWRETXMWPTZQA-UFGOTCBOSA-N 0 3 280.324 2.167 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1CCO ZINC000428453557 271269144 /nfs/dbraw/zinc/26/91/44/271269144.db2.gz PMRWANZVRIYQAU-JHAQOBCDSA-N 0 3 276.336 2.455 20 5 CEBDHN CCC1(CC)[C@H](NCc2c([N+](=O)[O-])ncn2C)C[C@@H]1OC ZINC000429292464 271319764 /nfs/dbraw/zinc/31/97/64/271319764.db2.gz XJAXRPRZUAQUCR-NEPJUHHUSA-N 0 3 296.371 2.012 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CC1CCOCC1 ZINC000430201613 271361649 /nfs/dbraw/zinc/36/16/49/271361649.db2.gz DMPWYDILBQPYHK-UHFFFAOYSA-N 0 3 294.351 2.462 20 5 CEBDHN O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CCN(C2CC2)C1 ZINC000352368868 275034295 /nfs/dbraw/zinc/03/42/95/275034295.db2.gz WIHPETYIKBTPDI-GFCCVEGCSA-N 0 3 298.346 2.214 20 5 CEBDHN CCC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131107407 276287894 /nfs/dbraw/zinc/28/78/94/276287894.db2.gz KXDJSCFDUVNUBQ-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H](N[C@@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000226439087 278373763 /nfs/dbraw/zinc/37/37/63/278373763.db2.gz BRHSFPZLXXZJCQ-GIPNMCIBSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@H](CCO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882663 279270040 /nfs/dbraw/zinc/27/00/40/279270040.db2.gz DAXYOUAAQQMCTI-QMTHXVAHSA-N 0 3 264.325 2.333 20 5 CEBDHN C/C=C/C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000185829936 280127001 /nfs/dbraw/zinc/12/70/01/280127001.db2.gz RZOSOWWOXLIAKX-QAVQXKDTSA-N 0 3 250.298 2.012 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2nccs2)cc1 ZINC000060390891 280364325 /nfs/dbraw/zinc/36/43/25/280364325.db2.gz HIYPPBUWPVJJKL-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272459 289051445 /nfs/dbraw/zinc/05/14/45/289051445.db2.gz ZAXXZKSBQOOHOJ-AAEUAGOBSA-N 0 3 275.352 2.310 20 5 CEBDHN Cc1noc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539071189 298244699 /nfs/dbraw/zinc/24/46/99/298244699.db2.gz GSEXPOFVVVAFKJ-JTQLQIEISA-N 0 3 290.323 2.488 20 5 CEBDHN C[C@@H]1C[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000548097259 298393931 /nfs/dbraw/zinc/39/39/31/298393931.db2.gz PGQBHSBFIOCLCV-PHIMTYICSA-N 0 3 277.324 2.406 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCCO ZINC000562338917 327472463 /nfs/dbraw/zinc/47/24/63/327472463.db2.gz QDYYWNIZHUDZAB-NSHDSACASA-N 0 3 252.314 2.326 20 5 CEBDHN Cc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174808749 533872030 /nfs/dbraw/zinc/87/20/30/533872030.db2.gz RNTDPNBBAKPMDT-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN Cc1ccc(CNCC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000096478934 534055708 /nfs/dbraw/zinc/05/57/08/534055708.db2.gz HIULFKGAYMPSJG-UHFFFAOYSA-N 0 3 264.325 2.298 20 5 CEBDHN Cc1nc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412029941 534578353 /nfs/dbraw/zinc/57/83/53/534578353.db2.gz OTHGVYQIOJMWIA-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412029941 534578360 /nfs/dbraw/zinc/57/83/60/534578360.db2.gz OTHGVYQIOJMWIA-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412029941 534578369 /nfs/dbraw/zinc/57/83/69/534578369.db2.gz OTHGVYQIOJMWIA-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN COCCOC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358205604 524021155 /nfs/dbraw/zinc/02/11/55/524021155.db2.gz RDWXOQCLMOHPGZ-VXGBXAGGSA-N 0 3 282.340 2.297 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC2(O)CCCCC2)c1 ZINC000052885371 527386329 /nfs/dbraw/zinc/38/63/29/527386329.db2.gz HTQFBAXZDNABIT-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN CCN1CCC[C@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000133758033 529106125 /nfs/dbraw/zinc/10/61/25/529106125.db2.gz VSOGOMSEBUTNHL-NSHDSACASA-N 0 3 279.340 2.500 20 5 CEBDHN Cc1ncccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731677988 574601289 /nfs/dbraw/zinc/60/12/89/574601289.db2.gz DMQUCQMEIIHEFF-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN CC(COC(=O)[C@@H](C)CCOc1ccccc1)[N+](=O)[O-] ZINC000813106744 623029396 /nfs/dbraw/zinc/02/93/96/623029396.db2.gz GMHULUWHONHIBU-NWDGAFQWSA-N 0 3 281.308 2.300 20 5 CEBDHN CC(COC(=O)C[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813108068 623040309 /nfs/dbraw/zinc/04/03/09/623040309.db2.gz UURINUCKVKWXSU-MNOVXSKESA-N 0 3 251.282 2.389 20 5 CEBDHN CC(COC(=O)[C@H]1CSc2ccccc21)[N+](=O)[O-] ZINC000813108152 623040520 /nfs/dbraw/zinc/04/05/20/623040520.db2.gz BJMNWPLMPWXFIN-SCZZXKLOSA-N 0 3 267.306 2.084 20 5 CEBDHN CC(COC(=O)Cc1cccc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000813111322 623046355 /nfs/dbraw/zinc/04/63/55/623046355.db2.gz REYHDWLFKDXPRB-QMMMGPOBSA-N 0 3 291.225 2.456 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[N+](=O)[O-] ZINC000813111497 623049499 /nfs/dbraw/zinc/04/94/99/623049499.db2.gz IONODVXCMMOBEQ-IWSPIJDZSA-N 0 3 285.246 2.277 20 5 CEBDHN CC(COC(=O)[C@@H]1COc2ccc(Cl)cc2C1)[N+](=O)[O-] ZINC000813115621 623085398 /nfs/dbraw/zinc/08/53/98/623085398.db2.gz WRDFLDSMKPYMNS-SCZZXKLOSA-N 0 3 299.710 2.100 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000892875956 627826039 /nfs/dbraw/zinc/82/60/39/627826039.db2.gz LKLUBMCKFZEYPC-NXEZZACHSA-N 0 3 292.339 2.036 20 5 CEBDHN C[C@@H]1[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CCN1C ZINC000895734959 630324979 /nfs/dbraw/zinc/32/49/79/630324979.db2.gz BGPVCLBBWBRRSA-PWSUYJOCSA-N 0 3 290.367 2.373 20 5 CEBDHN CC(C)N1CC[C@@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804379380 631673121 /nfs/dbraw/zinc/67/31/21/631673121.db2.gz LNSVMFAAADOVMU-SNVBAGLBSA-N 0 3 294.311 2.398 20 5 CEBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526776 632401734 /nfs/dbraw/zinc/40/17/34/632401734.db2.gz XBVIKJGPUVXMBU-WDEREUQCSA-N 0 3 281.331 2.258 20 5 CEBDHN CC(COC(=O)c1ccc2[nH]c(C(F)F)nc2c1)[N+](=O)[O-] ZINC000813102278 632621803 /nfs/dbraw/zinc/62/18/03/632621803.db2.gz DBNKCRCCHPHOKE-LURJTMIESA-N 0 3 299.233 2.323 20 5 CEBDHN CSc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102894 632622091 /nfs/dbraw/zinc/62/20/91/632622091.db2.gz LBOYWAHJYMTISD-NXEZZACHSA-N 0 3 299.348 2.384 20 5 CEBDHN Cc1cc(Cl)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104265 632622733 /nfs/dbraw/zinc/62/27/33/632622733.db2.gz LECDNEDWBCCKCN-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)c1coc(C2CCCC2)n1)[N+](=O)[O-] ZINC000813107406 632625022 /nfs/dbraw/zinc/62/50/22/632625022.db2.gz NASOKKYZPDLHBN-MRVPVSSYSA-N 0 3 268.269 2.154 20 5 CEBDHN COc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109335 632625817 /nfs/dbraw/zinc/62/58/17/632625817.db2.gz IJDWLOPXYBVAMU-GHMZBOCLSA-N 0 3 281.308 2.082 20 5 CEBDHN CC(COC(=O)c1cncc2ccccc21)[N+](=O)[O-] ZINC000813110809 632626279 /nfs/dbraw/zinc/62/62/79/632626279.db2.gz JVONBOWLTAVKJS-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN Cc1c(Cl)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109833 632626462 /nfs/dbraw/zinc/62/64/62/632626462.db2.gz PMPGJYOPHLESPZ-SSDOTTSWSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)C1(c2ccccc2F)CC1)[N+](=O)[O-] ZINC000813110651 632626705 /nfs/dbraw/zinc/62/67/05/632626705.db2.gz GPGYGNSZNUOYMQ-VIFPVBQESA-N 0 3 267.256 2.066 20 5 CEBDHN CC(COC(=O)c1ccc(OC2CCCC2)nc1)[N+](=O)[O-] ZINC000813112810 632628809 /nfs/dbraw/zinc/62/88/09/632628809.db2.gz LQILXJXVFJHWCE-JTQLQIEISA-N 0 3 294.307 2.225 20 5 CEBDHN Cc1occc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818969810 634021111 /nfs/dbraw/zinc/02/11/11/634021111.db2.gz IUWKTDNHXVRYIW-AWEZNQCLSA-N 0 3 276.292 2.319 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)s1 ZINC000823070116 635059709 /nfs/dbraw/zinc/05/97/09/635059709.db2.gz ZJSOOGKTGATZLW-QYNIQEEDSA-N 0 3 278.293 2.129 20 5 CEBDHN Cc1cc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc([N+](=O)[O-])c1 ZINC000823270704 635119863 /nfs/dbraw/zinc/11/98/63/635119863.db2.gz USEFAJZABSLZFM-FXAINCCUSA-N 0 3 286.291 2.376 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H](CO)C1 ZINC000876509683 650296171 /nfs/dbraw/zinc/29/61/71/650296171.db2.gz GJJSPHPEKXNFLB-CYBMUJFWSA-N 0 3 278.352 2.416 20 5 CEBDHN Cc1nc(C(C)C)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835453917 638261901 /nfs/dbraw/zinc/26/19/01/638261901.db2.gz IEHDYEOCIHXAHR-VIFPVBQESA-N 0 3 266.297 2.335 20 5 CEBDHN CC(COC(=O)c1ccsc1Br)[N+](=O)[O-] ZINC000835453314 638262120 /nfs/dbraw/zinc/26/21/20/638262120.db2.gz AETNTMCVEOXWDH-RXMQYKEDSA-N 0 3 294.126 2.333 20 5 CEBDHN C/C=C\COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835456201 638263238 /nfs/dbraw/zinc/26/32/38/638263238.db2.gz SVQWZVLQTFCYMJ-MVZIDQBPSA-N 0 3 293.319 2.392 20 5 CEBDHN CC[C@H](CC(F)(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000835457654 638264261 /nfs/dbraw/zinc/26/42/61/638264261.db2.gz XZIPQDQFPRRJIE-NKWVEPMBSA-N 0 3 257.208 2.173 20 5 CEBDHN O=[N+]([O-])c1cnn(C2CC(NCc3ccccc3F)C2)c1 ZINC000876890486 650475760 /nfs/dbraw/zinc/47/57/60/650475760.db2.gz AJADVTGJORBIHE-UHFFFAOYSA-N 0 3 290.298 2.424 20 5 CEBDHN Cn1nccc1CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231033410 639822045 /nfs/dbraw/zinc/82/20/45/639822045.db2.gz WDXOBHJCRJQTBO-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CC(COC(=O)[C@@]1(C)CCc2ccccc21)[N+](=O)[O-] ZINC000842802468 640186928 /nfs/dbraw/zinc/18/69/28/640186928.db2.gz ZQNZXRGQRDWIDL-HZMBPMFUSA-N 0 3 263.293 2.099 20 5 CEBDHN Cc1nc2ccccc2n1C[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000930094382 641074266 /nfs/dbraw/zinc/07/42/66/641074266.db2.gz KAXZGABKFBVBQU-ZDUSSCGKSA-N 0 3 288.351 2.086 20 5 CEBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000252785766 642232698 /nfs/dbraw/zinc/23/26/98/642232698.db2.gz PHYOCBIFPMDYCO-AQNFWKISSA-N 0 3 294.351 2.438 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899164 643214938 /nfs/dbraw/zinc/21/49/38/643214938.db2.gz YSICFBZSHPIUPP-IAQYHMDHSA-N 0 3 287.319 2.374 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1COC(C)(C)O1 ZINC000852039619 643274151 /nfs/dbraw/zinc/27/41/51/643274151.db2.gz WRMWCFQBWWANLU-CYBMUJFWSA-N 0 3 294.351 2.221 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1cccs1 ZINC000857028910 644792063 /nfs/dbraw/zinc/79/20/63/644792063.db2.gz GRYPFGTWLMXGLM-XZLDQRQTSA-N 0 3 255.295 2.360 20 5 CEBDHN CC1(C)OCC(NC/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000758009797 644870336 /nfs/dbraw/zinc/87/03/36/644870336.db2.gz AATCXHVDKIIVNZ-FNORWQNLSA-N 0 3 292.335 2.349 20 5 CEBDHN CC(C)[C@@H]1CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073257 644983261 /nfs/dbraw/zinc/98/32/61/644983261.db2.gz VOXUXDHOQUACJO-KBPBESRZSA-N 0 3 264.325 2.359 20 5 CEBDHN CC[S@](=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774182152 646814739 /nfs/dbraw/zinc/81/47/39/646814739.db2.gz JAZBICRXFLHNST-XOBRGWDASA-N 0 3 296.392 2.330 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(F)c1 ZINC000865697548 647429553 /nfs/dbraw/zinc/42/95/53/647429553.db2.gz ZETYQXOTPJBKIC-GSZDYRQJSA-N 0 3 292.310 2.247 20 5 CEBDHN C[C@@H]1C[C@H](C)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791565113 648543730 /nfs/dbraw/zinc/54/37/30/648543730.db2.gz FGOXLLXZMHUVFM-GBIKHYSHSA-N 0 3 250.298 2.111 20 5 CEBDHN CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000794713149 648905058 /nfs/dbraw/zinc/90/50/58/648905058.db2.gz VXOILBSSJWLITC-SECBINFHSA-N 0 3 272.732 2.451 20 5 CEBDHN C[C@H](NC[C@@H]1CCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026489 649244931 /nfs/dbraw/zinc/24/49/31/649244931.db2.gz FJHLHZYHSMHEBH-QWRGUYRKSA-N 0 3 281.331 2.479 20 5 CEBDHN C[C@H](NCCc1cncn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062033 649258574 /nfs/dbraw/zinc/25/85/74/649258574.db2.gz BPFWPVDDMIQENZ-JTQLQIEISA-N 0 3 292.314 2.361 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](CF)C2)cc1 ZINC000880237237 651406419 /nfs/dbraw/zinc/40/64/19/651406419.db2.gz UACPEASFLOVVFJ-SMDDNHRTSA-N 0 3 282.315 2.310 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1C ZINC000702054266 809490186 /nfs/dbraw/zinc/49/01/86/809490186.db2.gz SOWBMFCAAWODON-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1c(CNC[C@@](C)(O)C(F)F)cccc1[N+](=O)[O-] ZINC000705039193 809766558 /nfs/dbraw/zinc/76/65/58/809766558.db2.gz JHTYQPYYYBPRHV-GFCCVEGCSA-N 0 3 274.267 2.009 20 5 CEBDHN C[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966057 811317615 /nfs/dbraw/zinc/31/76/15/811317615.db2.gz GAODEFUOSKNYPV-AEJSXWLSSA-N 0 3 255.343 2.239 20 5 CEBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169009733 811334331 /nfs/dbraw/zinc/33/43/31/811334331.db2.gz XSCWZMXBSNXZOY-ZANVPECISA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])c1cccc2ccc(N3CCN4CC[C@@H]4C3)nc21 ZINC001158423571 812693763 /nfs/dbraw/zinc/69/37/63/812693763.db2.gz LJHYUEJTWNHMPE-GFCCVEGCSA-N 0 3 284.319 2.037 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnoc1 ZINC001173217785 815624665 /nfs/dbraw/zinc/62/46/65/815624665.db2.gz MCUHUTYCSSZDHT-JTQLQIEISA-N 0 3 261.281 2.304 20 5 CEBDHN Cc1nccnc1CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226206 815630038 /nfs/dbraw/zinc/63/00/38/815630038.db2.gz WCLQZJSNEUWBRR-LLVKDONJSA-N 0 3 286.335 2.414 20 5 CEBDHN CC[C@H](N[C@H]1C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000601290755 346813818 /nfs/dbraw/zinc/81/38/18/346813818.db2.gz BYXIIAONZWWIBR-SUHUHFCYSA-N 0 3 264.325 2.406 20 5 CEBDHN CN(C)CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033394698 361778260 /nfs/dbraw/zinc/77/82/60/361778260.db2.gz WIOJFTGLCXQZJS-VURMDHGXSA-N 0 3 263.341 2.101 20 5 CEBDHN C[C@H](NC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000037737837 361925408 /nfs/dbraw/zinc/92/54/08/361925408.db2.gz HLSLJXQTVLHJRU-QWRGUYRKSA-N 0 3 250.298 2.282 20 5 CEBDHN CC(C)C[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000040776469 361998401 /nfs/dbraw/zinc/99/84/01/361998401.db2.gz GPSPFQBCKRZRAT-SNVBAGLBSA-N 0 3 258.343 2.153 20 5 CEBDHN CC[C@@H](CO)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449374661 282205022 /nfs/dbraw/zinc/20/50/22/282205022.db2.gz BMQLJDXYZRNKSS-WOLRVDTOSA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1ccc(NC(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000043148517 343461465 /nfs/dbraw/zinc/46/14/65/343461465.db2.gz LCEXEJZSMZIOPJ-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000057719414 343636570 /nfs/dbraw/zinc/63/65/70/343636570.db2.gz AIDUWRZAFHBZGT-SNVBAGLBSA-N 0 3 291.351 2.116 20 5 CEBDHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068800133 343773601 /nfs/dbraw/zinc/77/36/01/343773601.db2.gz TURFZBFMCWYTAX-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN CN(CC(=O)NCc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000602085945 346970388 /nfs/dbraw/zinc/97/03/88/346970388.db2.gz QWOOTFJAFOFNNE-UHFFFAOYSA-N 0 3 293.367 2.189 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000092672346 344199366 /nfs/dbraw/zinc/19/93/66/344199366.db2.gz TYEQQQIPUIUPEE-GHMZBOCLSA-N 0 3 276.340 2.335 20 5 CEBDHN Nc1ccc(OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000147007169 344411380 /nfs/dbraw/zinc/41/13/80/344411380.db2.gz WPUYJKSUUGTIAJ-UHFFFAOYSA-N 0 3 265.313 2.042 20 5 CEBDHN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000602483765 347054814 /nfs/dbraw/zinc/05/48/14/347054814.db2.gz LCZFKEOLPPTPQR-MNOVXSKESA-N 0 3 266.345 2.196 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](CCO)C2)cc1 ZINC000051895810 362446507 /nfs/dbraw/zinc/44/65/07/362446507.db2.gz ABFUFRYOLFOLOQ-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN Cc1c(CN2CCC[C@@H](CCO)C2)cccc1[N+](=O)[O-] ZINC000051896783 362448101 /nfs/dbraw/zinc/44/81/01/362448101.db2.gz AAEZUUJDSIHWBX-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000312085238 344737609 /nfs/dbraw/zinc/73/76/09/344737609.db2.gz WBLREYJHSPHNFT-AOOOYVTPSA-N 0 3 267.304 2.229 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789793 282369316 /nfs/dbraw/zinc/36/93/16/282369316.db2.gz IGZYOXHUENPNKT-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2ccns2)cc1 ZINC000404382904 344879833 /nfs/dbraw/zinc/87/98/33/344879833.db2.gz NGLIIHRSHGGIMY-UHFFFAOYSA-N 0 3 279.321 2.220 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CCCO)C1 ZINC000449793782 282370621 /nfs/dbraw/zinc/37/06/21/282370621.db2.gz YCQLQZNIRSZMMK-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160945 345226593 /nfs/dbraw/zinc/22/65/93/345226593.db2.gz MVDCCNUCAIRBQX-JQWIXIFHSA-N 0 3 294.330 2.192 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCC[C@H]1CCOC1)CC2 ZINC000592097772 345321462 /nfs/dbraw/zinc/32/14/62/345321462.db2.gz KREVEDXPQGBYPK-LBPRGKRZSA-N 0 3 291.351 2.165 20 5 CEBDHN C[C@@H](NCC[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000593182727 345450319 /nfs/dbraw/zinc/45/03/19/345450319.db2.gz BIBFARNGGUDFIX-DOMZBBRYSA-N 0 3 294.351 2.177 20 5 CEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC1 ZINC000594954012 345715131 /nfs/dbraw/zinc/71/51/31/345715131.db2.gz VVRQQEFBSFMVKS-ZFWWWQNUSA-N 0 3 294.351 2.044 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCO1 ZINC000594956520 345715959 /nfs/dbraw/zinc/71/59/59/345715959.db2.gz JKBRGNSVRVKDSW-ZDUSSCGKSA-N 0 3 250.298 2.172 20 5 CEBDHN Cc1ccc(CNCCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000594970150 345719555 /nfs/dbraw/zinc/71/95/55/345719555.db2.gz CUISKEPGLQQSKC-LBPRGKRZSA-N 0 3 286.278 2.417 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000594970351 345719631 /nfs/dbraw/zinc/71/96/31/345719631.db2.gz YZCKDWOALWIWCL-SECBINFHSA-N 0 3 284.743 2.499 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCO1 ZINC000595005298 345724590 /nfs/dbraw/zinc/72/45/90/345724590.db2.gz BMVRKZZRVFGXGA-ZYHUDNBSSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)C(C)C ZINC000595009310 345726344 /nfs/dbraw/zinc/72/63/44/345726344.db2.gz QQCPZDMYTQXRGP-ZWNOBZJWSA-N 0 3 282.340 2.271 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCN(C)C1 ZINC000595017708 345728135 /nfs/dbraw/zinc/72/81/35/345728135.db2.gz NDJVENSLNUIFOF-NWDGAFQWSA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)CO ZINC000595021009 345728773 /nfs/dbraw/zinc/72/87/73/345728773.db2.gz BULPLUJOXROVMC-SNVBAGLBSA-N 0 3 282.340 2.273 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)CCO ZINC000595029770 345730896 /nfs/dbraw/zinc/73/08/96/345730896.db2.gz YJEAUMWSVIGUKO-GHMZBOCLSA-N 0 3 282.340 2.273 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(N(C)C)CC1 ZINC000595045080 345733937 /nfs/dbraw/zinc/73/39/37/345733937.db2.gz RCYKITGYODNLOE-LLVKDONJSA-N 0 3 293.367 2.348 20 5 CEBDHN Cc1noc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000595560340 345813633 /nfs/dbraw/zinc/81/36/33/345813633.db2.gz ARIALVDNRCCXCH-VXGBXAGGSA-N 0 3 295.339 2.282 20 5 CEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595908683 345911552 /nfs/dbraw/zinc/91/15/52/345911552.db2.gz JPFKRULRXCTTET-GFCCVEGCSA-N 0 3 291.351 2.172 20 5 CEBDHN CC(C)NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956202 345917315 /nfs/dbraw/zinc/91/73/15/345917315.db2.gz HIWJWSHSRRLKNN-UHFFFAOYSA-N 0 3 291.351 2.084 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C(C)(C)C ZINC000596305907 345995479 /nfs/dbraw/zinc/99/54/79/345995479.db2.gz CRNQFCVFUINZLF-LLVKDONJSA-N 0 3 278.356 2.005 20 5 CEBDHN Cc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302546 187363058 /nfs/dbraw/zinc/36/30/58/187363058.db2.gz MPYGUBXBCAQBJM-CHWSQXEVSA-N 0 3 264.325 2.152 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C1(CO)CC1 ZINC000597256620 346163496 /nfs/dbraw/zinc/16/34/96/346163496.db2.gz WNOCNBYWLNDBHK-WQLSENKSSA-N 0 3 276.336 2.455 20 5 CEBDHN COCCN(C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000061375977 362679235 /nfs/dbraw/zinc/67/92/35/362679235.db2.gz PXPIQPNUWQLEKG-ZDUSSCGKSA-N 0 3 295.383 2.132 20 5 CEBDHN CCCN[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000295142450 199369961 /nfs/dbraw/zinc/36/99/61/199369961.db2.gz IWVISXULLGQRMO-SNVBAGLBSA-N 0 3 265.313 2.230 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000598999155 346444340 /nfs/dbraw/zinc/44/43/40/346444340.db2.gz KLUUXWUJNOKSBR-KZWBYHQPSA-N 0 3 264.325 2.496 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000599000797 346444685 /nfs/dbraw/zinc/44/46/85/346444685.db2.gz WDEGJLMUHIQCLD-FBKDDSFISA-N 0 3 264.325 2.496 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCN(C)CC(F)F ZINC000599023990 346448272 /nfs/dbraw/zinc/44/82/72/346448272.db2.gz XAXZFPIEGICODP-UHFFFAOYSA-N 0 3 287.310 2.190 20 5 CEBDHN Cc1cc(N2CCc3nccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598940860 346435071 /nfs/dbraw/zinc/43/50/71/346435071.db2.gz AXBMZRQEXAQGEI-UHFFFAOYSA-N 0 3 284.319 2.443 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000598999152 346444076 /nfs/dbraw/zinc/44/40/76/346444076.db2.gz KLUUXWUJNOKSBR-DEKYYXRVSA-N 0 3 264.325 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc2nccc(N3CCN4CCC3CC4)c2c1 ZINC000601152900 346771670 /nfs/dbraw/zinc/77/16/70/346771670.db2.gz IQKNOPCCTZIOTF-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN CC(C)[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336817722 365861484 /nfs/dbraw/zinc/86/14/84/365861484.db2.gz RONRTQFKPXHWDH-CYBMUJFWSA-N 0 3 270.304 2.231 20 5 CEBDHN Cn1cc(CN2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])n1 ZINC000602718348 347168179 /nfs/dbraw/zinc/16/81/79/347168179.db2.gz NFKZDCAEOMWYDR-LBPRGKRZSA-N 0 3 278.356 2.340 20 5 CEBDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602813978 347211126 /nfs/dbraw/zinc/21/11/26/347211126.db2.gz AYUUVLXCUWWVKP-OUAUKWLOSA-N 0 3 266.345 2.195 20 5 CEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1COC1 ZINC000602723732 347171783 /nfs/dbraw/zinc/17/17/83/347171783.db2.gz IMXIHXHDPWNDCJ-UHFFFAOYSA-N 0 3 290.241 2.350 20 5 CEBDHN CC(C)OCCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965465 347258386 /nfs/dbraw/zinc/25/83/86/347258386.db2.gz GIQAJQXWDXKPBY-HNNXBMFYSA-N 0 3 296.367 2.207 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(CC(C)C)CC2)c1 ZINC000610732842 347707774 /nfs/dbraw/zinc/70/77/74/347707774.db2.gz SBLHAYNMFZVDIW-UHFFFAOYSA-N 0 3 293.367 2.381 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC23CCOCC3)c1 ZINC000618316829 348923764 /nfs/dbraw/zinc/92/37/64/348923764.db2.gz DCHSTHCOWFETCO-UHFFFAOYSA-N 0 3 292.335 2.229 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000104530831 186008950 /nfs/dbraw/zinc/00/89/50/186008950.db2.gz NMZFEKXONRQXTI-UHFFFAOYSA-N 0 3 299.396 2.379 20 5 CEBDHN C[C@H]1[C@H](CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000412084753 233334957 /nfs/dbraw/zinc/33/49/57/233334957.db2.gz QSZAVSSMKGJAJB-AAEUAGOBSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000069000774 362952622 /nfs/dbraw/zinc/95/26/22/362952622.db2.gz CCPICGISFDPUDY-JTQLQIEISA-N 0 3 294.311 2.398 20 5 CEBDHN C[C@H](NCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000091957391 180292360 /nfs/dbraw/zinc/29/23/60/180292360.db2.gz VFJPOZJGHMBNDY-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000122827578 187054398 /nfs/dbraw/zinc/05/43/98/187054398.db2.gz LUCMONSOIVSWGF-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000123444149 187092308 /nfs/dbraw/zinc/09/23/08/187092308.db2.gz UBBILADABXMWBH-ZJUUUORDSA-N 0 3 297.380 2.211 20 5 CEBDHN CC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157314070 188310217 /nfs/dbraw/zinc/31/02/17/188310217.db2.gz ILVKJDNDJZJYGP-LLVKDONJSA-N 0 3 252.318 2.056 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](O)C3)o2)c1 ZINC000157670057 188331236 /nfs/dbraw/zinc/33/12/36/188331236.db2.gz FOMGTUDZHUYRQI-ZDUSSCGKSA-N 0 3 288.303 2.421 20 5 CEBDHN C[C@H](NCC[C@@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708148 191285838 /nfs/dbraw/zinc/28/58/38/191285838.db2.gz IOPVUSDFWFJBIJ-WDEREUQCSA-N 0 3 278.308 2.199 20 5 CEBDHN C[C@@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553181 283032145 /nfs/dbraw/zinc/03/21/45/283032145.db2.gz XSFLUQPNQBVAEP-YPMHNXCESA-N 0 3 264.325 2.155 20 5 CEBDHN Cc1cc(NCCN2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074740798 363380540 /nfs/dbraw/zinc/38/05/40/363380540.db2.gz GRZRIPIMQHGAQY-NSHDSACASA-N 0 3 278.356 2.442 20 5 CEBDHN COCCOC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000075948982 363498882 /nfs/dbraw/zinc/49/88/82/363498882.db2.gz QEAXDOFTNIAJJY-AWEZNQCLSA-N 0 3 294.351 2.080 20 5 CEBDHN COc1cccc(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000134928274 366375828 /nfs/dbraw/zinc/37/58/28/366375828.db2.gz DZFZVQPTMAAKPZ-MNOVXSKESA-N 0 3 279.340 2.498 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)CCCO ZINC000294884338 199229739 /nfs/dbraw/zinc/22/97/39/199229739.db2.gz VVIZAJKBECAWLW-GFCCVEGCSA-N 0 3 296.367 2.492 20 5 CEBDHN CC(C)(O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000136250862 366505506 /nfs/dbraw/zinc/50/55/06/366505506.db2.gz SPMWIZHRNQCJCV-CYBMUJFWSA-N 0 3 264.325 2.330 20 5 CEBDHN CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000177025798 189022141 /nfs/dbraw/zinc/02/21/41/189022141.db2.gz BYCOVCZXSVSKQA-LBPRGKRZSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@@H](N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(C)CC1 ZINC000177219796 189037726 /nfs/dbraw/zinc/03/77/26/189037726.db2.gz KWERVXCVEKRYKS-SNVBAGLBSA-N 0 3 291.351 2.314 20 5 CEBDHN CC(C)[C@H](CO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000342235521 216273875 /nfs/dbraw/zinc/27/38/75/216273875.db2.gz QOVFAGKRLHIOKB-NSHDSACASA-N 0 3 270.304 2.088 20 5 CEBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000181560223 189300482 /nfs/dbraw/zinc/30/04/82/189300482.db2.gz QKWCJUYTHZNGLH-CYBMUJFWSA-N 0 3 264.325 2.418 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCCOC1 ZINC000342309862 216302766 /nfs/dbraw/zinc/30/27/66/216302766.db2.gz HUWQXZNASULERJ-RJNRQISESA-N 0 3 262.309 2.377 20 5 CEBDHN Cc1nc(NCCN2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000302153360 201369634 /nfs/dbraw/zinc/36/96/34/201369634.db2.gz MLVFWAWMEMGIAO-UHFFFAOYSA-N 0 3 276.340 2.362 20 5 CEBDHN COC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000086699409 363837562 /nfs/dbraw/zinc/83/75/62/363837562.db2.gz LUBMLZIAPISSKU-ZDUSSCGKSA-N 0 3 282.340 2.364 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000089935723 364018993 /nfs/dbraw/zinc/01/89/93/364018993.db2.gz KHUXEPQKLIHACL-LBPRGKRZSA-N 0 3 282.365 2.411 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000090795389 364065589 /nfs/dbraw/zinc/06/55/89/364065589.db2.gz OGHOLTIOHHYWBC-QWRGUYRKSA-N 0 3 279.340 2.498 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)C2(N)CCCC2)cc1[N+](=O)[O-] ZINC000237491809 370726665 /nfs/dbraw/zinc/72/66/65/370726665.db2.gz KJHSJJBAWDILGL-LLVKDONJSA-N 0 3 291.351 2.352 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)Cc2ccccc2)c1 ZINC000238143212 370771487 /nfs/dbraw/zinc/77/14/87/370771487.db2.gz HDGCUGOUHGUMKY-INIZCTEOSA-N 0 3 286.331 2.288 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@]2(CCOC2)C1 ZINC000094371411 364271819 /nfs/dbraw/zinc/27/18/19/364271819.db2.gz VOYKYMSEIRQPND-DZGCQCFKSA-N 0 3 292.335 2.023 20 5 CEBDHN CN1CCC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771840 364294148 /nfs/dbraw/zinc/29/41/48/364294148.db2.gz PSCGSSSSJGLMJS-SNVBAGLBSA-N 0 3 289.339 2.225 20 5 CEBDHN CC[C@@H](CCO)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000094953777 364314561 /nfs/dbraw/zinc/31/45/61/364314561.db2.gz BNFAMUBPCJFTBY-NSHDSACASA-N 0 3 282.340 2.102 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000103116856 364627408 /nfs/dbraw/zinc/62/74/08/364627408.db2.gz OLJKSKCUQSEHGT-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN CC[C@H](C)[C@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112380313 364802050 /nfs/dbraw/zinc/80/20/50/364802050.db2.gz XOQXKNYERAOXMJ-XHDPSFHLSA-N 0 3 296.367 2.490 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000112675132 364825316 /nfs/dbraw/zinc/82/53/16/364825316.db2.gz OFVWDVAMVAQTBO-UHFFFAOYSA-N 0 3 252.314 2.188 20 5 CEBDHN CN(CCN1CCCC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000118888038 365188852 /nfs/dbraw/zinc/18/88/52/365188852.db2.gz JBBDACGOCGALHR-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000120736756 365467531 /nfs/dbraw/zinc/46/75/31/365467531.db2.gz NBNGMBGDEJZNCC-UWVGGRQHSA-N 0 3 297.380 2.069 20 5 CEBDHN CCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000340969593 367113029 /nfs/dbraw/zinc/11/30/29/367113029.db2.gz NGFVNRZQNVEFGA-LLVKDONJSA-N 0 3 295.387 2.177 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)n1 ZINC000162614192 367173928 /nfs/dbraw/zinc/17/39/28/367173928.db2.gz YFOPXYJQSAYTGJ-NSHDSACASA-N 0 3 264.329 2.052 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000166136468 367317939 /nfs/dbraw/zinc/31/79/39/367317939.db2.gz RYFADAIQAUEHKS-MWLCHTKSSA-N 0 3 295.295 2.018 20 5 CEBDHN C[C@H](CO[C@H]1CCOC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166368138 367320600 /nfs/dbraw/zinc/32/06/00/367320600.db2.gz MAAJAZWLRHNHRD-XUJVJEKNSA-N 0 3 294.351 2.439 20 5 CEBDHN CN(CCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000171143245 367487025 /nfs/dbraw/zinc/48/70/25/367487025.db2.gz PAZQWCNDFTYXTP-UHFFFAOYSA-N 0 3 252.314 2.189 20 5 CEBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000245951213 370893776 /nfs/dbraw/zinc/89/37/76/370893776.db2.gz SPFFYSATAKRKDK-GHMZBOCLSA-N 0 3 291.351 2.172 20 5 CEBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1c(C)noc1C ZINC000182408001 368560055 /nfs/dbraw/zinc/56/00/55/368560055.db2.gz BQVYUDHPXKBMEH-NSHDSACASA-N 0 3 293.327 2.137 20 5 CEBDHN C[C@H](NCCC1OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000185381124 368801324 /nfs/dbraw/zinc/80/13/24/368801324.db2.gz CMRARXWMEFWWGF-JTQLQIEISA-N 0 3 266.297 2.008 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000348273088 368979349 /nfs/dbraw/zinc/97/93/49/368979349.db2.gz SDOGGOKQCLHAII-CYBMUJFWSA-N 0 3 250.298 2.206 20 5 CEBDHN CC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000186524407 368989155 /nfs/dbraw/zinc/98/91/55/368989155.db2.gz OEADFENZAQIBTF-VIFPVBQESA-N 0 3 290.266 2.057 20 5 CEBDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000348672799 369118216 /nfs/dbraw/zinc/11/82/16/369118216.db2.gz NAEXNSUVAOKQFV-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN CN(C)C1(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000188013887 369276249 /nfs/dbraw/zinc/27/62/49/369276249.db2.gz SNTMKDSVXPOIPZ-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(O)C1CC1 ZINC000350087080 369501799 /nfs/dbraw/zinc/50/17/99/369501799.db2.gz DCGHCVMGTNLEDS-AWEZNQCLSA-N 0 3 264.325 2.154 20 5 CEBDHN C[C@@H](N[C@@H](C)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000168638693 296146192 /nfs/dbraw/zinc/14/61/92/296146192.db2.gz NKGBYYITPMPSHO-WDEREUQCSA-N 0 3 251.330 2.196 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCCO ZINC000276336375 193290475 /nfs/dbraw/zinc/29/04/75/193290475.db2.gz GMOJGXZSVMMRLF-NSHDSACASA-N 0 3 252.314 2.360 20 5 CEBDHN CCCCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000352380069 369700107 /nfs/dbraw/zinc/70/01/07/369700107.db2.gz XNZLLRAHLYSSEA-UHFFFAOYSA-N 0 3 297.330 2.196 20 5 CEBDHN COc1cc(CN2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352768208 369875157 /nfs/dbraw/zinc/87/51/57/369875157.db2.gz GJLONAAQRPMAMM-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN CC(C)[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000352880861 369928343 /nfs/dbraw/zinc/92/83/43/369928343.db2.gz IRLCCHYBCNXHEC-CYBMUJFWSA-N 0 3 270.304 2.231 20 5 CEBDHN CC(C)N1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194813508 370076381 /nfs/dbraw/zinc/07/63/81/370076381.db2.gz SUUJEQLQWLWQNL-UHFFFAOYSA-N 0 3 297.380 2.259 20 5 CEBDHN CCC[C@@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000226252216 370331699 /nfs/dbraw/zinc/33/16/99/370331699.db2.gz OCSJQJXCPKVKFP-CQSZACIVSA-N 0 3 282.340 2.244 20 5 CEBDHN Cc1c([C@@H](C)NCCN2CCC2)cccc1[N+](=O)[O-] ZINC000358342059 371023946 /nfs/dbraw/zinc/02/39/46/371023946.db2.gz PIQXNKLTTGJOLJ-GFCCVEGCSA-N 0 3 263.341 2.260 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000247557987 371125815 /nfs/dbraw/zinc/12/58/15/371125815.db2.gz ZINYUUHTNAKCBK-GXSJLCMTSA-N 0 3 297.380 2.069 20 5 CEBDHN C[C@H](C[C@H](C)O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252760988 371476870 /nfs/dbraw/zinc/47/68/70/371476870.db2.gz MOFUKNHLBDQGBQ-OUAUKWLOSA-N 0 3 252.314 2.405 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000360996280 371589492 /nfs/dbraw/zinc/58/94/92/371589492.db2.gz RNOXFGBZOKLUPI-CMPLNLGQSA-N 0 3 295.387 2.039 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCNC[C@@H]1c1cccnc1 ZINC000262281125 371845979 /nfs/dbraw/zinc/84/59/79/371845979.db2.gz UPSRRTGSRWSZQK-MRXNPFEDSA-N 0 3 298.346 2.136 20 5 CEBDHN Cc1c([C@H](C)NC[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802134 372228247 /nfs/dbraw/zinc/22/82/47/372228247.db2.gz BIPHFWYWUMDDBN-ONGXEEELSA-N 0 3 252.314 2.182 20 5 CEBDHN C[C@@H](NCC1(C(N)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268938316 372296315 /nfs/dbraw/zinc/29/63/15/372296315.db2.gz SJSXMVCWYAGICJ-LLVKDONJSA-N 0 3 291.351 2.291 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903734 372280887 /nfs/dbraw/zinc/28/08/87/372280887.db2.gz GJRHDIYSIKYAPQ-BXUZGUMPSA-N 0 3 296.392 2.422 20 5 CEBDHN C[C@@H]1[C@@H](NCc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353143 217165012 /nfs/dbraw/zinc/16/50/12/217165012.db2.gz JJTCTEYQMGRRHC-KOLCDFICSA-N 0 3 269.370 2.229 20 5 CEBDHN C[C@@H]1CCC[C@@H](CO)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692215 372535707 /nfs/dbraw/zinc/53/57/07/372535707.db2.gz IVWPCZOOXDLFGR-OCCSQVGLSA-N 0 3 294.351 2.209 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269695556 372536665 /nfs/dbraw/zinc/53/66/65/372536665.db2.gz YODWRPORWRHSPT-UFBFGSQYSA-N 0 3 299.758 2.238 20 5 CEBDHN Cc1ccc(CN2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000353438774 220083643 /nfs/dbraw/zinc/08/36/43/220083643.db2.gz VNLBVZBSCXIZED-CYBMUJFWSA-N 0 3 277.368 2.429 20 5 CEBDHN CN1CCN(Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271027191 373077897 /nfs/dbraw/zinc/07/78/97/373077897.db2.gz KJRPMOZQMHIZIJ-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN CC(C)[C@@H](O)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000272080258 373294789 /nfs/dbraw/zinc/29/47/89/373294789.db2.gz QYXOMAPIJFXYKE-CQSZACIVSA-N 0 3 278.352 2.482 20 5 CEBDHN CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272129804 373320916 /nfs/dbraw/zinc/32/09/16/373320916.db2.gz RXGWGBLZKCWNQC-ZYHUDNBSSA-N 0 3 279.340 2.112 20 5 CEBDHN C[C@@H]1CN(C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353589010 220177633 /nfs/dbraw/zinc/17/76/33/220177633.db2.gz FKHWSDCZVNRQLT-SCXUMTSISA-N 0 3 275.352 2.244 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCCC3(CCC3)C2)c1 ZINC000369102625 373334698 /nfs/dbraw/zinc/33/46/98/373334698.db2.gz VBITUBYBQJTLSG-UHFFFAOYSA-N 0 3 264.329 2.057 20 5 CEBDHN COC(=O)[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272271868 373399166 /nfs/dbraw/zinc/39/91/66/373399166.db2.gz DEWVURCIFSPCRD-VXGBXAGGSA-N 0 3 292.335 2.459 20 5 CEBDHN C[C@H](O)[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000272515620 373527890 /nfs/dbraw/zinc/52/78/90/373527890.db2.gz GTRMKUMYXLAOKE-GMXVVIOVSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000369676983 373485377 /nfs/dbraw/zinc/48/53/77/373485377.db2.gz ULNKEAWNJWQOGY-SWLSCSKDSA-N 0 3 292.335 2.084 20 5 CEBDHN C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000272749418 373641724 /nfs/dbraw/zinc/64/17/24/373641724.db2.gz DTFZAEKWKBGOOQ-JTQLQIEISA-N 0 3 262.313 2.052 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C2CCCC2)c1 ZINC000289529232 197390868 /nfs/dbraw/zinc/39/08/68/197390868.db2.gz MWOADTZMGDOQAG-AWEZNQCLSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](C3CC3)C2)c1 ZINC000372854599 374212765 /nfs/dbraw/zinc/21/27/65/374212765.db2.gz CSUFSJUNPISFHD-UKRRQHHQSA-N 0 3 276.336 2.360 20 5 CEBDHN COc1ccc(CN[C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000279936698 375036707 /nfs/dbraw/zinc/03/67/07/375036707.db2.gz YNLZFRAEDBOFJE-CYBMUJFWSA-N 0 3 294.351 2.244 20 5 CEBDHN COc1ccc(CN[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000393979079 375326689 /nfs/dbraw/zinc/32/66/89/375326689.db2.gz JNZDUHDUAFMTTN-ZDUSSCGKSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1c([C@H](C)NCC2([S@@](C)=O)CC2)cccc1[N+](=O)[O-] ZINC000282509215 375501561 /nfs/dbraw/zinc/50/15/61/375501561.db2.gz YSMOJAYVOKDXGM-PRWKNARSSA-N 0 3 296.392 2.465 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000282525979 375508103 /nfs/dbraw/zinc/50/81/03/375508103.db2.gz PXTXHVLAXBGTKP-HAQNSBGRSA-N 0 3 282.315 2.469 20 5 CEBDHN C[C@H](N[C@@H]1CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283939982 375784704 /nfs/dbraw/zinc/78/47/04/375784704.db2.gz FJLSDFMIFJYSPS-MRCXROJRSA-N 0 3 279.340 2.131 20 5 CEBDHN C[C@H]1CCSCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347492 375921606 /nfs/dbraw/zinc/92/16/06/375921606.db2.gz XQWMOKGMMXOVLB-SMDDNHRTSA-N 0 3 296.392 2.456 20 5 CEBDHN COc1cc(CN(C)C[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000305814769 376500649 /nfs/dbraw/zinc/50/06/49/376500649.db2.gz JNUFIUFSZLQICG-JSGCOSHPSA-N 0 3 294.351 2.196 20 5 CEBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000263803445 190079521 /nfs/dbraw/zinc/07/95/21/190079521.db2.gz ZYBCMHJAJCOZAN-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](C)O ZINC000305841594 376516622 /nfs/dbraw/zinc/51/66/22/376516622.db2.gz RHNZCVPFEIBBBK-WDEREUQCSA-N 0 3 252.314 2.277 20 5 CEBDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292847129 377311236 /nfs/dbraw/zinc/31/12/36/377311236.db2.gz SWGIQGGGIBCVBD-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCC[C@H]1O ZINC000563898898 377316231 /nfs/dbraw/zinc/31/62/31/377316231.db2.gz SRVKNTNYCCSOMR-OUCADQQQSA-N 0 3 262.309 2.085 20 5 CEBDHN CC[C@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331124928 377290833 /nfs/dbraw/zinc/29/08/33/377290833.db2.gz OJOFCTSYKROBNA-QWRGUYRKSA-N 0 3 266.345 2.387 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C=C/CN(C)C ZINC000265614364 190193722 /nfs/dbraw/zinc/19/37/22/190193722.db2.gz IKMFBOVMOGFUAK-AATRIKPKSA-N 0 3 277.324 2.268 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293550673 377623201 /nfs/dbraw/zinc/62/32/01/377623201.db2.gz YZOZCWWYGABEQD-TXEJJXNPSA-N 0 3 263.341 2.119 20 5 CEBDHN CC[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000294112596 377908861 /nfs/dbraw/zinc/90/88/61/377908861.db2.gz KDDVDQHZQCYFGN-ONGXEEELSA-N 0 3 267.329 2.253 20 5 CEBDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000295258743 378074222 /nfs/dbraw/zinc/07/42/22/378074222.db2.gz FWOWULJLWYLFKK-FZMZJTMJSA-N 0 3 293.367 2.358 20 5 CEBDHN CCOc1cc(CN(C)[C@H](CC)CO)ccc1[N+](=O)[O-] ZINC000295788910 378304827 /nfs/dbraw/zinc/30/48/27/378304827.db2.gz UWZMIYOZJHFFMM-GFCCVEGCSA-N 0 3 282.340 2.196 20 5 CEBDHN C[C@H]1CCCN(CCNc2ncccc2[N+](=O)[O-])C1 ZINC000298491134 378744124 /nfs/dbraw/zinc/74/41/24/378744124.db2.gz DEKIEZAKGPIUIX-NSHDSACASA-N 0 3 264.329 2.134 20 5 CEBDHN CC(C)OCC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107144 378710294 /nfs/dbraw/zinc/71/02/94/378710294.db2.gz XYZRKFBPRYRIPO-WFASDCNBSA-N 0 3 296.367 2.421 20 5 CEBDHN Cc1cnc(N[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000266211862 190240217 /nfs/dbraw/zinc/24/02/17/190240217.db2.gz NGIOAMFLMLNSRC-NSHDSACASA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N(C)C ZINC000298638048 378785343 /nfs/dbraw/zinc/78/53/43/378785343.db2.gz YNUVTRUVGPZLAN-VIFPVBQESA-N 0 3 291.307 2.021 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266222636 190241654 /nfs/dbraw/zinc/24/16/54/190241654.db2.gz IAFSZGJFLVATSZ-RYUDHWBXSA-N 0 3 278.356 2.156 20 5 CEBDHN COC[C@@](C)(O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264594 378847833 /nfs/dbraw/zinc/84/78/33/378847833.db2.gz WGUIMMXQPAWDGY-DOMZBBRYSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1nccn1CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000299036638 378881740 /nfs/dbraw/zinc/88/17/40/378881740.db2.gz LZRAQUMUWQHPIG-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN Cc1c([C@H](C)NC[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397958 378887085 /nfs/dbraw/zinc/88/70/85/378887085.db2.gz KFIXXGXCXQFBJW-XHDPSFHLSA-N 0 3 291.351 2.223 20 5 CEBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000347536207 218266257 /nfs/dbraw/zinc/26/62/57/218266257.db2.gz QEOXPJACBYKWPL-JTQLQIEISA-N 0 3 266.345 2.387 20 5 CEBDHN Cc1nn(C)c(N[C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301282080 379244575 /nfs/dbraw/zinc/24/45/75/379244575.db2.gz MYQJDRAVKPVLIO-WDEREUQCSA-N 0 3 295.387 2.169 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1N(C)CCN(C)C1CC1 ZINC000302232051 379338965 /nfs/dbraw/zinc/33/89/65/379338965.db2.gz CKLLKILSFPJRPV-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN C[C@H](NC[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266772992 190279607 /nfs/dbraw/zinc/27/96/07/190279607.db2.gz KEFOSBNSPSCILS-NHYWBVRUSA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1c(CN2CCC[C@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000305177253 379672789 /nfs/dbraw/zinc/67/27/89/379672789.db2.gz LZWSKRKHTHBEKR-XHDPSFHLSA-N 0 3 278.352 2.496 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000457226401 379719796 /nfs/dbraw/zinc/71/97/96/379719796.db2.gz UNUFHYYLTZANQC-UHFFFAOYSA-N 0 3 299.758 2.318 20 5 CEBDHN Cc1c([C@@H](C)NC[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268802125 190434059 /nfs/dbraw/zinc/43/40/59/190434059.db2.gz BIPHFWYWUMDDBN-GXSJLCMTSA-N 0 3 252.314 2.182 20 5 CEBDHN C[C@H]1CCC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223783 194339177 /nfs/dbraw/zinc/33/91/77/194339177.db2.gz IINWHBIAQHYKGF-SMDDNHRTSA-N 0 3 291.351 2.336 20 5 CEBDHN COC[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000188170660 285238944 /nfs/dbraw/zinc/23/89/44/285238944.db2.gz RXDNMAJZWGRVIJ-CQSZACIVSA-N 0 3 294.351 2.126 20 5 CEBDHN COc1cc(N2CCN3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000271105183 135091411 /nfs/dbraw/zinc/09/14/11/135091411.db2.gz REWKDZSPGPSCPC-SNVBAGLBSA-N 0 3 295.314 2.027 20 5 CEBDHN CC1(C)CCCN[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000232839532 394481573 /nfs/dbraw/zinc/48/15/73/394481573.db2.gz WBDHKMHNEHRVTN-GFCCVEGCSA-N 0 3 277.324 2.312 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000413158069 394495286 /nfs/dbraw/zinc/49/52/86/394495286.db2.gz VHDZZOUMOARSDI-MNOVXSKESA-N 0 3 296.346 2.438 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000051554727 394556643 /nfs/dbraw/zinc/55/66/43/394556643.db2.gz ZEHFWOZCZDHNTO-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1cc(N2CCC[C@H]3CN(C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000269079300 394711636 /nfs/dbraw/zinc/71/16/36/394711636.db2.gz DLGMQKTUCRVOQO-STQMWFEESA-N 0 3 290.367 2.219 20 5 CEBDHN C[C@H](NCCC1OCCCO1)c1ccccc1[N+](=O)[O-] ZINC000271714758 394762374 /nfs/dbraw/zinc/76/23/74/394762374.db2.gz JRIRLTWDFLDLSH-NSHDSACASA-N 0 3 280.324 2.399 20 5 CEBDHN CO[C@@]1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122859812 394819837 /nfs/dbraw/zinc/81/98/37/394819837.db2.gz XVAZGBIMWSAMSG-SMDDNHRTSA-N 0 3 280.324 2.051 20 5 CEBDHN CN1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000364164294 394891075 /nfs/dbraw/zinc/89/10/75/394891075.db2.gz AXCQROIRWRYWDI-HZMBPMFUSA-N 0 3 279.315 2.264 20 5 CEBDHN Cc1cc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000415451138 394933722 /nfs/dbraw/zinc/93/37/22/394933722.db2.gz ZUQZNHBDQOHWHR-MNOVXSKESA-N 0 3 292.339 2.117 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000285960279 394991195 /nfs/dbraw/zinc/99/11/95/394991195.db2.gz ALBCUHKKHWOGNA-LLVKDONJSA-N 0 3 278.356 2.463 20 5 CEBDHN CN1CC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375040763 395090350 /nfs/dbraw/zinc/09/03/50/395090350.db2.gz PIJDTSHFDANHDA-JOYOIKCWSA-N 0 3 296.758 2.174 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)CC[C@@H]1C ZINC000350003346 395177798 /nfs/dbraw/zinc/17/77/98/395177798.db2.gz ADONKDCJYPGHEV-ZDUSSCGKSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000351925662 395240695 /nfs/dbraw/zinc/24/06/95/395240695.db2.gz FFRFCOCXYNIQBV-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN CCC[C@@](C)(O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596136 395241819 /nfs/dbraw/zinc/24/18/19/395241819.db2.gz FTEGCNOLFJWCTK-IINYFYTJSA-N 0 3 281.356 2.379 20 5 CEBDHN CCC[C@](C)(O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596141 395242337 /nfs/dbraw/zinc/24/23/37/395242337.db2.gz FTEGCNOLFJWCTK-YGRLFVJLSA-N 0 3 281.356 2.379 20 5 CEBDHN Cc1nn(C)c(NC[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000433791686 395248378 /nfs/dbraw/zinc/24/83/78/395248378.db2.gz JGGAEVQWBKWQON-GFCCVEGCSA-N 0 3 293.371 2.066 20 5 CEBDHN CN1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465722 395300043 /nfs/dbraw/zinc/30/00/43/395300043.db2.gz HPEKJRQACPKYBS-MFKMUULPSA-N 0 3 294.330 2.049 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(CO)CCC1 ZINC000183700983 395261421 /nfs/dbraw/zinc/26/14/21/395261421.db2.gz DLOJNAXTZYWISJ-UHFFFAOYSA-N 0 3 264.325 2.155 20 5 CEBDHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935539 395266540 /nfs/dbraw/zinc/26/65/40/395266540.db2.gz BORGGFCDMOTAHP-FOGDFJRCSA-N 0 3 250.298 2.423 20 5 CEBDHN COc1cccc(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420641075 395399151 /nfs/dbraw/zinc/39/91/51/395399151.db2.gz UICCGNHAPBBCCG-NSHDSACASA-N 0 3 279.340 2.134 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451250297 395598365 /nfs/dbraw/zinc/59/83/65/395598365.db2.gz DHGHIDZGTDNUAR-QWHCGFSZSA-N 0 3 294.351 2.196 20 5 CEBDHN CC[C@H](O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505319 395609837 /nfs/dbraw/zinc/60/98/37/395609837.db2.gz DYNPDFRUMSAILV-GWCFXTLKSA-N 0 3 264.325 2.333 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000189651645 153100322 /nfs/dbraw/zinc/10/03/22/153100322.db2.gz FMPHQYYVFAVYRM-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC(N3CCCC3)CC2)s1 ZINC000190317920 153125522 /nfs/dbraw/zinc/12/55/22/153125522.db2.gz SWFUCBRBHDYGNL-UHFFFAOYSA-N 0 3 282.369 2.116 20 5 CEBDHN CCCC[C@@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000228891006 153368822 /nfs/dbraw/zinc/36/88/22/153368822.db2.gz PSOGEMYQHWIVER-SNVBAGLBSA-N 0 3 281.312 2.059 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316953 153388112 /nfs/dbraw/zinc/38/81/12/153388112.db2.gz MSRGEVWUYQATEE-ZIAGYGMSSA-N 0 3 262.309 2.252 20 5 CEBDHN COC1CC(N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000230674653 153397115 /nfs/dbraw/zinc/39/71/15/153397115.db2.gz PMUUTLQSOASCMV-CBZQXFMTSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@@H]1CCOCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000374984136 157035890 /nfs/dbraw/zinc/03/58/90/157035890.db2.gz WRARRPCUTOUAGE-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN CC[C@@]1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271156 165158664 /nfs/dbraw/zinc/15/86/64/165158664.db2.gz YELAHDCKFMHTGL-ZDUSSCGKSA-N 0 3 266.345 2.303 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccccc3)C2)n1 ZINC000176220577 165159439 /nfs/dbraw/zinc/15/94/39/165159439.db2.gz JXWUOPPRBTUQCQ-CQSZACIVSA-N 0 3 286.335 2.281 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300295 176113557 /nfs/dbraw/zinc/11/35/57/176113557.db2.gz WGGBKFHGKJMMOB-RNCFNFMXSA-N 0 3 250.298 2.016 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1CCO ZINC000428467923 271270276 /nfs/dbraw/zinc/27/02/76/271270276.db2.gz BXCKDAMUBSBSGN-CYBMUJFWSA-N 0 3 264.325 2.250 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCCO ZINC000442964607 271845410 /nfs/dbraw/zinc/84/54/10/271845410.db2.gz IQZRIWPMKWEBLU-XFXZXTDPSA-N 0 3 264.325 2.312 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000345876111 277008388 /nfs/dbraw/zinc/00/83/88/277008388.db2.gz RLIGKYTWUWTHQN-GDLCADMTSA-N 0 3 291.351 2.160 20 5 CEBDHN CNC(=O)CCN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182741652 277226077 /nfs/dbraw/zinc/22/60/77/277226077.db2.gz CMTBWVCBQMHFLI-NSHDSACASA-N 0 3 279.340 2.032 20 5 CEBDHN COC(=O)C1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296692591 277309364 /nfs/dbraw/zinc/30/93/64/277309364.db2.gz JXLHRXIZKQXFOC-JTQLQIEISA-N 0 3 278.308 2.199 20 5 CEBDHN COC(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292173266 277316396 /nfs/dbraw/zinc/31/63/96/277316396.db2.gz PUMDWXMYIUPMMC-UHFFFAOYSA-N 0 3 280.324 2.373 20 5 CEBDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135106193 277650238 /nfs/dbraw/zinc/65/02/38/277650238.db2.gz ADKPCZLFDCMBMR-NSHDSACASA-N 0 3 279.340 2.160 20 5 CEBDHN C[C@@H]1[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000357047445 279083291 /nfs/dbraw/zinc/08/32/91/279083291.db2.gz WDIJGXLJYOBFGU-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(CCN(C)C)C(C)C)n1 ZINC000444824958 281650240 /nfs/dbraw/zinc/65/02/40/281650240.db2.gz CWJGWVXPHNPUEM-UHFFFAOYSA-N 0 3 280.372 2.383 20 5 CEBDHN CCOc1ccc([C@@H](C)NCCOC)cc1[N+](=O)[O-] ZINC000152550077 289092651 /nfs/dbraw/zinc/09/26/51/289092651.db2.gz RHQYZJBDPOYVGI-SNVBAGLBSA-N 0 3 268.313 2.291 20 5 CEBDHN CC(C)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000487995590 290372803 /nfs/dbraw/zinc/37/28/03/290372803.db2.gz AYIYGOKFUSSVMT-HNNXBMFYSA-N 0 3 277.368 2.367 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000514738575 297550625 /nfs/dbraw/zinc/55/06/25/297550625.db2.gz IORLEBUUXDBGCA-MISXGVKJSA-N 0 3 274.320 2.109 20 5 CEBDHN Cn1ccc(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000521270252 297644432 /nfs/dbraw/zinc/64/44/32/297644432.db2.gz KIENQULXTMZGKA-CQSZACIVSA-N 0 3 286.335 2.148 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)Cn1cncn1 ZINC000531963017 298126593 /nfs/dbraw/zinc/12/65/93/298126593.db2.gz WAQOTZZCBUBBPS-NEPJUHHUSA-N 0 3 289.339 2.234 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000542522908 298291905 /nfs/dbraw/zinc/29/19/05/298291905.db2.gz YYHGSDPXGXYZFS-LBPRGKRZSA-N 0 3 282.340 2.364 20 5 CEBDHN CC(C)(O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419278 298775742 /nfs/dbraw/zinc/77/57/42/298775742.db2.gz SVSJQLSEHFCGJK-LBPRGKRZSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@H]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000525288079 313148169 /nfs/dbraw/zinc/14/81/69/313148169.db2.gz XARFLUAACGDNCV-NSHDSACASA-N 0 3 292.339 2.058 20 5 CEBDHN C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)N(C)C ZINC000581068452 322366172 /nfs/dbraw/zinc/36/61/72/322366172.db2.gz DMWNCBHSMWVEIL-JTQLQIEISA-N 0 3 278.356 2.231 20 5 CEBDHN C[C@@](O)(CNCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000582840948 322506599 /nfs/dbraw/zinc/50/65/99/322506599.db2.gz RMJLQLVQEYRKSK-LLVKDONJSA-N 0 3 292.257 2.040 20 5 CEBDHN CC[C@@H](O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164131768 523005150 /nfs/dbraw/zinc/00/51/50/523005150.db2.gz IZTJODIPVAJKFI-OLZOCXBDSA-N 0 3 252.314 2.406 20 5 CEBDHN CO[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676407 523972406 /nfs/dbraw/zinc/97/24/06/523972406.db2.gz PFDZMZSUFBRARI-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN COc1ccc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000062726620 524070786 /nfs/dbraw/zinc/07/07/86/524070786.db2.gz CBGNFJXGUVGVKK-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN Cc1cccc(C(=O)N2CCC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000068341203 524173241 /nfs/dbraw/zinc/17/32/41/524173241.db2.gz SARBDGRBHGJZPF-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCCCC[C@@H]32)n1 ZINC000366099616 527407479 /nfs/dbraw/zinc/40/74/79/527407479.db2.gz UPATXTPUWIPKSP-RYUDHWBXSA-N 0 3 264.329 2.056 20 5 CEBDHN CCC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000357899317 529022289 /nfs/dbraw/zinc/02/22/89/529022289.db2.gz ADYFCSBFWSZVGI-UHFFFAOYSA-N 0 3 266.345 2.303 20 5 CEBDHN Cc1ncsc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000742369637 575017275 /nfs/dbraw/zinc/01/72/75/575017275.db2.gz AWYNHWMAHXIGNB-LBPRGKRZSA-N 0 3 293.348 2.183 20 5 CEBDHN Cc1ccnc(NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742426822 575021145 /nfs/dbraw/zinc/02/11/45/575021145.db2.gz CIFOKYBUPYZRLB-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000851036820 627355990 /nfs/dbraw/zinc/35/59/90/627355990.db2.gz NKWIUMJMDIBRQO-LURJTMIESA-N 0 3 259.283 2.132 20 5 CEBDHN CC(COC(=O)Cc1nsc2ccccc21)[N+](=O)[O-] ZINC000821167377 634644917 /nfs/dbraw/zinc/64/49/17/634644917.db2.gz SETSHDQDMMNVKS-MRVPVSSYSA-N 0 3 280.305 2.047 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C[C@H](C)O ZINC000877320423 629149800 /nfs/dbraw/zinc/14/98/00/629149800.db2.gz GMDJOTPIYWMVFR-JTQLQIEISA-N 0 3 252.314 2.024 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402156 634712468 /nfs/dbraw/zinc/71/24/68/634712468.db2.gz NJWLHGKQPPGQGT-ZYHUDNBSSA-N 0 3 278.308 2.259 20 5 CEBDHN CC[C@@](C)(CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894711455 629605498 /nfs/dbraw/zinc/60/54/98/629605498.db2.gz JVNGPRCOZYUUOY-AWEZNQCLSA-N 0 3 298.339 2.214 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)c1C ZINC000895886232 630386292 /nfs/dbraw/zinc/38/62/92/630386292.db2.gz BMOIPBQHXZWKHO-GFCCVEGCSA-N 0 3 291.351 2.036 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000797284616 631111774 /nfs/dbraw/zinc/11/17/74/631111774.db2.gz ZLJNOIUAAPGPBQ-VIFPVBQESA-N 0 3 296.279 2.081 20 5 CEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cn(C)cn1 ZINC000898043548 632034762 /nfs/dbraw/zinc/03/47/62/632034762.db2.gz TWOVBNHBXCFBIF-LBPRGKRZSA-N 0 3 288.351 2.439 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCO[C@@H]1CCOC1 ZINC000927084446 632452733 /nfs/dbraw/zinc/45/27/33/632452733.db2.gz MJVXYGVVWRZITC-GXTWGEPZSA-N 0 3 294.351 2.359 20 5 CEBDHN CC(COC(=O)c1ccc(N2CCCCC2)cc1)[N+](=O)[O-] ZINC000813104074 632622349 /nfs/dbraw/zinc/62/23/49/632622349.db2.gz JOGHRLUKZPCEKS-GFCCVEGCSA-N 0 3 292.335 2.499 20 5 CEBDHN CC(COC(=O)[C@@H](C)Oc1ccccc1Cl)[N+](=O)[O-] ZINC000813105019 632622500 /nfs/dbraw/zinc/62/25/00/632622500.db2.gz TZQTWCCKIGBIIV-DTWKUNHWSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)/C=C\c1ccccc1F)[N+](=O)[O-] ZINC000813104234 632622803 /nfs/dbraw/zinc/62/28/03/632622803.db2.gz YRGFJENSLYXHCS-ATJFRQLMSA-N 0 3 253.229 2.047 20 5 CEBDHN CC(C)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813106125 632623625 /nfs/dbraw/zinc/62/36/25/632623625.db2.gz YWOMNSILOIMTGP-SSDOTTSWSA-N 0 3 258.299 2.089 20 5 CEBDHN Cc1cccc2c(CC(=O)OCC(C)[N+](=O)[O-])c[nH]c21 ZINC000813105062 632623523 /nfs/dbraw/zinc/62/35/23/632623523.db2.gz VARYXZGPPRJRMR-JTQLQIEISA-N 0 3 276.292 2.227 20 5 CEBDHN Cc1cccc(C2(C(=O)OCC(C)[N+](=O)[O-])CC2)c1 ZINC000813106329 632623563 /nfs/dbraw/zinc/62/35/63/632623563.db2.gz AVQLFCSZKXPGMK-NSHDSACASA-N 0 3 263.293 2.235 20 5 CEBDHN CC(COC(=O)Cc1cccc(C(F)F)c1)[N+](=O)[O-] ZINC000813112328 632627628 /nfs/dbraw/zinc/62/76/28/632627628.db2.gz FIMLVRMRFHEPKA-MRVPVSSYSA-N 0 3 273.235 2.375 20 5 CEBDHN CC(COC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813110987 632627819 /nfs/dbraw/zinc/62/78/19/632627819.db2.gz NRNAWUAOTYPZSS-SSDOTTSWSA-N 0 3 288.097 2.271 20 5 CEBDHN CC(COC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813113428 632628422 /nfs/dbraw/zinc/62/84/22/632628422.db2.gz PUMXUMTVWCCMQV-VHSXEESVSA-N 0 3 297.282 2.243 20 5 CEBDHN CC(COC(=O)C12CC(c3ccccc3)(C1)C2)[N+](=O)[O-] ZINC000813115643 632629593 /nfs/dbraw/zinc/62/95/93/632629593.db2.gz WVMCGGBOLVNDGU-QGLTVNCISA-N 0 3 275.304 2.317 20 5 CEBDHN C[C@H](Cc1ccccc1Br)NCC[N+](=O)[O-] ZINC000905169234 635867117 /nfs/dbraw/zinc/86/71/17/635867117.db2.gz ONCCEMNVVAKYSI-SECBINFHSA-N 0 3 287.157 2.246 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCCC2=O)[N+](=O)[O-] ZINC000816092153 633116120 /nfs/dbraw/zinc/11/61/20/633116120.db2.gz UVQFTTGJJRCUAX-VIFPVBQESA-N 0 3 277.276 2.028 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000817740373 633733481 /nfs/dbraw/zinc/73/34/81/633733481.db2.gz ZXUYYONTVLQXQN-SECBINFHSA-N 0 3 282.252 2.034 20 5 CEBDHN C[C@H](N[C@@H]1CCN(C)[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302214 635049522 /nfs/dbraw/zinc/04/95/22/635049522.db2.gz XGUVFAOGGSZUTJ-HOSYDEDBSA-N 0 3 281.331 2.477 20 5 CEBDHN CN(C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000823297869 635129421 /nfs/dbraw/zinc/12/94/21/635129421.db2.gz KESWQZKDDIUSTB-UHFFFAOYSA-N 0 3 299.415 2.155 20 5 CEBDHN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824533798 635444116 /nfs/dbraw/zinc/44/41/16/635444116.db2.gz ORTFCTKDOFGYQE-JTQLQIEISA-N 0 3 272.732 2.451 20 5 CEBDHN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CN(C)C1 ZINC000827125669 636226530 /nfs/dbraw/zinc/22/65/30/636226530.db2.gz NTVDKJHRGNAMBB-UHFFFAOYSA-N 0 3 283.759 2.242 20 5 CEBDHN CS[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830889280 637190566 /nfs/dbraw/zinc/19/05/66/637190566.db2.gz NCNTUTMXKMBEBD-QWHCGFSZSA-N 0 3 282.365 2.066 20 5 CEBDHN CSc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835453698 638261875 /nfs/dbraw/zinc/26/18/75/638261875.db2.gz GHZOJDUUQPKWMZ-QMMMGPOBSA-N 0 3 255.295 2.231 20 5 CEBDHN CC(COC(=O)c1cccc2c1CCCC2)[N+](=O)[O-] ZINC000835456179 638262977 /nfs/dbraw/zinc/26/29/77/638262977.db2.gz SKHTVWFLHKDGDY-JTQLQIEISA-N 0 3 263.293 2.387 20 5 CEBDHN C[C@@H](NC[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203426 639745628 /nfs/dbraw/zinc/74/56/28/639745628.db2.gz XKDONDMXVOMPAU-MNOVXSKESA-N 0 3 280.324 2.397 20 5 CEBDHN CC1(C)CNCCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000088139005 639943395 /nfs/dbraw/zinc/94/33/95/639943395.db2.gz SZQFHXVNLKPEIV-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCC[C@@H]1O ZINC000089168864 640143157 /nfs/dbraw/zinc/14/31/57/640143157.db2.gz FOPRTQLZFZKEEM-MFKMUULPSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)CCCc1ccc(F)cc1)[N+](=O)[O-] ZINC000847714406 641748269 /nfs/dbraw/zinc/74/82/69/641748269.db2.gz TVEDUMNJHYBNPF-SNVBAGLBSA-N 0 3 269.272 2.357 20 5 CEBDHN Cc1ccoc1CNC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877546808 650779887 /nfs/dbraw/zinc/77/98/87/650779887.db2.gz MTOUNJUALMLIHR-UHFFFAOYSA-N 0 3 276.296 2.186 20 5 CEBDHN Cc1c(CNC[C@@H](O)c2ccccn2)cccc1[N+](=O)[O-] ZINC000853105394 643658970 /nfs/dbraw/zinc/65/89/70/643658970.db2.gz QWDSANVWXOTJGC-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN CC[C@H]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000755926326 644583883 /nfs/dbraw/zinc/58/38/83/644583883.db2.gz XASLOTCEIDXRQP-NSHDSACASA-N 0 3 289.339 2.337 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(c1ccnc(CO)c1)C2 ZINC000858458971 645167679 /nfs/dbraw/zinc/16/76/79/645167679.db2.gz NLJBFBOOKIONPZ-UHFFFAOYSA-N 0 3 285.303 2.045 20 5 CEBDHN CC[S@@](=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528012 645294234 /nfs/dbraw/zinc/29/42/34/645294234.db2.gz XFJQYUXHZZQRCF-GOSISDBHSA-N 0 3 290.772 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(C2CC2)C2CC2)cc1 ZINC000859626936 645544828 /nfs/dbraw/zinc/54/48/28/645544828.db2.gz IGNIOEHSGWMPLC-AWEZNQCLSA-N 0 3 262.309 2.255 20 5 CEBDHN CC(COC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)[N+](=O)[O-] ZINC000860776694 645902743 /nfs/dbraw/zinc/90/27/43/645902743.db2.gz GVIICGFOHRMJMV-WXVIEYFRSA-N 0 3 295.722 2.434 20 5 CEBDHN CN(CCOC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586356 647075447 /nfs/dbraw/zinc/07/54/47/647075447.db2.gz NBIJDOVEOPWTMD-CQSZACIVSA-N 0 3 296.367 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CC2)c(Cl)c1 ZINC000784545116 647861464 /nfs/dbraw/zinc/86/14/64/647861464.db2.gz NUMSZXBBTUKGIJ-LBPRGKRZSA-N 0 3 270.716 2.109 20 5 CEBDHN CCCN(CC[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000791053680 648476987 /nfs/dbraw/zinc/47/69/87/648476987.db2.gz VUZMKRJIKBIEOT-RYUDHWBXSA-N 0 3 258.362 2.179 20 5 CEBDHN CC(COC(=O)c1ccc2ccn(C)c2c1)[N+](=O)[O-] ZINC000870377377 648789619 /nfs/dbraw/zinc/78/96/19/648789619.db2.gz QIVGXGOAJNZISL-VIFPVBQESA-N 0 3 262.265 2.000 20 5 CEBDHN COC/C=C/C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454242 648819658 /nfs/dbraw/zinc/81/96/58/648819658.db2.gz JCMCWXPXSHDBHM-MZRHBPNOSA-N 0 3 297.282 2.278 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[C@H](O)C1 ZINC000872127500 649286253 /nfs/dbraw/zinc/28/62/53/649286253.db2.gz VGSWACKJDLVLII-NHCYSSNCSA-N 0 3 280.324 2.025 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](CF)C2)c1 ZINC000880237048 651406197 /nfs/dbraw/zinc/40/61/97/651406197.db2.gz PAOFQSXOXHIQJD-RISCZKNCSA-N 0 3 282.315 2.310 20 5 CEBDHN CC[C@@H](NCC[S@](=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000130912317 652354757 /nfs/dbraw/zinc/35/47/57/652354757.db2.gz SQLVDEYLOLMIAS-YJYMSZOUSA-N 0 3 284.381 2.404 20 5 CEBDHN CC[C@H](O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135037647 803134931 /nfs/dbraw/zinc/13/49/31/803134931.db2.gz MVWGFLMQQWOQRQ-NSHDSACASA-N 0 3 272.732 2.499 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2COC3(CCC3)C2)c1 ZINC000711223049 810050362 /nfs/dbraw/zinc/05/03/62/810050362.db2.gz DLNIHTOUMZJSHY-GFCCVEGCSA-N 0 3 262.309 2.396 20 5 CEBDHN CN(CC[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001119817031 810548858 /nfs/dbraw/zinc/54/88/58/810548858.db2.gz MLFALJAVSLFMDK-KGLIPLIRSA-N 0 3 282.315 2.254 20 5 CEBDHN C[C@@H](N)c1ccn(-c2ccnc3c2cccc3[N+](=O)[O-])n1 ZINC001169235662 811454843 /nfs/dbraw/zinc/45/48/43/811454843.db2.gz YYXPVONIAQQNAX-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN CN(C1COC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917819 815544946 /nfs/dbraw/zinc/54/49/46/815544946.db2.gz XAJDALNGIQDOHV-CYBMUJFWSA-N 0 3 276.336 2.173 20 5 CEBDHN COCCOCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079415603 343979916 /nfs/dbraw/zinc/97/99/16/343979916.db2.gz JYWDPUUXWVOFJB-LBPRGKRZSA-N 0 3 282.340 2.251 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000125958446 365693564 /nfs/dbraw/zinc/69/35/64/365693564.db2.gz CYXUQQLRPNTSMB-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000294986379 199286433 /nfs/dbraw/zinc/28/64/33/199286433.db2.gz HCNKPZHVUIXMGC-JQWIXIFHSA-N 0 3 288.294 2.397 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449507322 282262883 /nfs/dbraw/zinc/26/28/83/282262883.db2.gz LVTJPILQLJUPSS-GDBMZVCRSA-N 0 3 290.363 2.482 20 5 CEBDHN CCc1ncc(CNCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000414367409 529755776 /nfs/dbraw/zinc/75/57/76/529755776.db2.gz QMSMQYFDEFTFBW-UHFFFAOYSA-N 0 3 286.335 2.280 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC1 ZINC000063466495 343677519 /nfs/dbraw/zinc/67/75/19/343677519.db2.gz DKVWLLIFLAOOAC-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000077656691 343928599 /nfs/dbraw/zinc/92/85/99/343928599.db2.gz IBIDOJNIKXBASE-NSHDSACASA-N 0 3 264.329 2.134 20 5 CEBDHN COCCN1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088701213 344112935 /nfs/dbraw/zinc/11/29/35/344112935.db2.gz NMXJIXUPSKYGHO-UHFFFAOYSA-N 0 3 293.367 2.062 20 5 CEBDHN CC(=O)N1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413675 344139321 /nfs/dbraw/zinc/13/93/21/344139321.db2.gz SYTZYXCQTGBMFK-AAEUAGOBSA-N 0 3 291.351 2.175 20 5 CEBDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413088 344139631 /nfs/dbraw/zinc/13/96/31/344139631.db2.gz BEXRFFFGRZYEID-RISCZKNCSA-N 0 3 291.351 2.175 20 5 CEBDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000093436955 344223536 /nfs/dbraw/zinc/22/35/36/344223536.db2.gz DVOZCZJPTDPPNU-UHFFFAOYSA-N 0 3 266.341 2.496 20 5 CEBDHN CC(C)C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602469394 347045892 /nfs/dbraw/zinc/04/58/92/347045892.db2.gz UVIJIKVROYUJJY-NSHDSACASA-N 0 3 266.345 2.196 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCCC[C@H]1CO ZINC000157055943 344444777 /nfs/dbraw/zinc/44/47/77/344444777.db2.gz AELQICKNUBKMJQ-ZDUSSCGKSA-N 0 3 264.325 2.332 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC1CC(n2cccn2)C1 ZINC000602517014 347064158 /nfs/dbraw/zinc/06/41/58/347064158.db2.gz VEFZPLLTPFAXGJ-UHFFFAOYSA-N 0 3 272.308 2.285 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313850146 344744056 /nfs/dbraw/zinc/74/40/56/344744056.db2.gz SBIJRXBHTAHUEA-GFCCVEGCSA-N 0 3 293.302 2.174 20 5 CEBDHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000402301025 344872174 /nfs/dbraw/zinc/87/21/74/344872174.db2.gz JPKQSESOGLSPPT-JFGNBEQYSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071834 345037629 /nfs/dbraw/zinc/03/76/29/345037629.db2.gz CWJSBEJBSXFIMO-VXGBXAGGSA-N 0 3 276.340 2.053 20 5 CEBDHN CC[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590780886 345180150 /nfs/dbraw/zinc/18/01/50/345180150.db2.gz ZYDXSKYHPSBTEJ-VIFPVBQESA-N 0 3 266.297 2.254 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000591146292 345224462 /nfs/dbraw/zinc/22/44/62/345224462.db2.gz XTOAYNXYYWICIX-SNVBAGLBSA-N 0 3 280.303 2.025 20 5 CEBDHN CC1(C)CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000591444536 345256172 /nfs/dbraw/zinc/25/61/72/345256172.db2.gz LGMQAPGIPPGMEW-UHFFFAOYSA-N 0 3 286.335 2.331 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H](CO)CC(F)(F)F)cc1 ZINC000602579178 347086397 /nfs/dbraw/zinc/08/63/97/347086397.db2.gz IEJHVVBYHWSVQF-JTQLQIEISA-N 0 3 292.257 2.040 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000594600480 345656916 /nfs/dbraw/zinc/65/69/16/345656916.db2.gz LJZOJOQEWRAYTC-STQMWFEESA-N 0 3 276.340 2.419 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595105756 345742768 /nfs/dbraw/zinc/74/27/68/345742768.db2.gz XZGUTXNORIATKB-YUSALJHKSA-N 0 3 280.324 2.167 20 5 CEBDHN CCO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594968061 345719390 /nfs/dbraw/zinc/71/93/90/345719390.db2.gz DJWUPYKTDTWGRS-AULYBMBSSA-N 0 3 250.298 2.252 20 5 CEBDHN CC(C)c1ccc(CNC/C=C/CO)cc1[N+](=O)[O-] ZINC000594973052 345720414 /nfs/dbraw/zinc/72/04/14/345720414.db2.gz CBULEAQGLXSBBU-ONEGZZNKSA-N 0 3 264.325 2.356 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@H](O)C3)o2)cc1 ZINC000595000971 345723884 /nfs/dbraw/zinc/72/38/84/345723884.db2.gz OBZPLQWRJFDROU-AULYBMBSSA-N 0 3 288.303 2.468 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(C)COC1 ZINC000595015340 345727568 /nfs/dbraw/zinc/72/75/68/345727568.db2.gz CDSCPXVDVOEVFH-SNVBAGLBSA-N 0 3 280.324 2.291 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCOC1 ZINC000595018083 345728250 /nfs/dbraw/zinc/72/82/50/345728250.db2.gz PTZNTINSAQKYJU-GHMZBOCLSA-N 0 3 280.324 2.291 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)C1CCC1 ZINC000595056176 345736228 /nfs/dbraw/zinc/73/62/28/345736228.db2.gz BVNKUSSSTAPPMQ-KBPBESRZSA-N 0 3 276.336 2.333 20 5 CEBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407148 345775231 /nfs/dbraw/zinc/77/52/31/345775231.db2.gz HYTBEXRJQJIEFS-WDEREUQCSA-N 0 3 281.331 2.258 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595457898 345788388 /nfs/dbraw/zinc/78/83/88/345788388.db2.gz CWSPIQVBBWZOOM-JOYOIKCWSA-N 0 3 268.288 2.249 20 5 CEBDHN CC(C)[C@@](C)(CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595488752 345793778 /nfs/dbraw/zinc/79/37/78/345793778.db2.gz CQDXFVUPOMIQRN-CYBMUJFWSA-N 0 3 270.304 2.231 20 5 CEBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595519668 345802031 /nfs/dbraw/zinc/80/20/31/345802031.db2.gz BDVRLVFHWKDFKF-DGCLKSJQSA-N 0 3 268.288 2.391 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]3COC[C@H]3C2)c1 ZINC000595829376 345888777 /nfs/dbraw/zinc/88/87/77/345888777.db2.gz HJAQJOHZDGSILA-QWHCGFSZSA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)C1O ZINC000595748825 345865757 /nfs/dbraw/zinc/86/57/57/345865757.db2.gz IBMDJLPBOPLPON-QWRGUYRKSA-N 0 3 264.325 2.044 20 5 CEBDHN C[C@@]12COC[C@@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757097 345868171 /nfs/dbraw/zinc/86/81/71/345868171.db2.gz ZDRXFDOFGFUENM-GXTWGEPZSA-N 0 3 262.309 2.063 20 5 CEBDHN CC(C)[N@@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596096005 345939259 /nfs/dbraw/zinc/93/92/59/345939259.db2.gz SXEUIEWJYQJRSI-LLVKDONJSA-N 0 3 294.355 2.228 20 5 CEBDHN CC(C)[N@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596096005 345939262 /nfs/dbraw/zinc/93/92/62/345939262.db2.gz SXEUIEWJYQJRSI-LLVKDONJSA-N 0 3 294.355 2.228 20 5 CEBDHN COCCCN(C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596143174 345950265 /nfs/dbraw/zinc/95/02/65/345950265.db2.gz ZDMIQJCRBKYZFG-UHFFFAOYSA-N 0 3 287.385 2.345 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596482459 346035351 /nfs/dbraw/zinc/03/53/51/346035351.db2.gz SQTNVEWOMBWGHT-GFCCVEGCSA-N 0 3 292.339 2.201 20 5 CEBDHN Cc1ccc(CN2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597232808 346156601 /nfs/dbraw/zinc/15/66/01/346156601.db2.gz XOXOTCPKHLYHCA-UONOGXRCSA-N 0 3 276.336 2.372 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000597252917 346162991 /nfs/dbraw/zinc/16/29/91/346162991.db2.gz CBRZEVVJIVUAQF-DAXSKMNVSA-N 0 3 276.336 2.455 20 5 CEBDHN CC(C)c1ccc(CN[C@H]2C[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000599004002 346444886 /nfs/dbraw/zinc/44/48/86/346444886.db2.gz OZQWJOONOOHSHF-HAQNSBGRSA-N 0 3 291.351 2.072 20 5 CEBDHN Cc1c(CN2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000336813332 365853622 /nfs/dbraw/zinc/85/36/22/365853622.db2.gz UHLSVLGUGLVKPV-CYBMUJFWSA-N 0 3 264.325 2.250 20 5 CEBDHN CC[C@@](C)(CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602637701 347117475 /nfs/dbraw/zinc/11/74/75/347117475.db2.gz PFDWBUZZDKTIRT-AWEZNQCLSA-N 0 3 292.339 2.376 20 5 CEBDHN C[C@H]1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2)O1 ZINC000128468209 187372348 /nfs/dbraw/zinc/37/23/48/187372348.db2.gz PKTKOLDYHASSOM-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602801321 347205096 /nfs/dbraw/zinc/20/50/96/347205096.db2.gz NPONDXWOZUKFPN-SNVBAGLBSA-N 0 3 266.345 2.387 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)CC(C)C ZINC000603421950 347366410 /nfs/dbraw/zinc/36/64/10/347366410.db2.gz FFGBMPMCKXRUJB-CYBMUJFWSA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1sccc1N1CC[C@@H](N2CCCC2)C1 ZINC000608909396 347623694 /nfs/dbraw/zinc/62/36/94/347623694.db2.gz MYCKWOLGFOWTNL-SNVBAGLBSA-N 0 3 267.354 2.331 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])s1 ZINC000610160572 347661977 /nfs/dbraw/zinc/66/19/77/347661977.db2.gz YOWWQIKFBLLMEL-SNVBAGLBSA-N 0 3 269.370 2.434 20 5 CEBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609833625 347652373 /nfs/dbraw/zinc/65/23/73/347652373.db2.gz PYMKHJLOPBZUHZ-CYBMUJFWSA-N 0 3 291.351 2.199 20 5 CEBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610514943 347687896 /nfs/dbraw/zinc/68/78/96/347687896.db2.gz OAOXDSKNDBVWBE-LLVKDONJSA-N 0 3 298.412 2.094 20 5 CEBDHN COC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000610604919 347695511 /nfs/dbraw/zinc/69/55/11/347695511.db2.gz GGULOAUTFUMUDQ-CYBMUJFWSA-N 0 3 250.298 2.206 20 5 CEBDHN COC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000610604920 347695595 /nfs/dbraw/zinc/69/55/95/347695595.db2.gz GGULOAUTFUMUDQ-ZDUSSCGKSA-N 0 3 250.298 2.206 20 5 CEBDHN C[C@H](N[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337472 347767550 /nfs/dbraw/zinc/76/75/50/347767550.db2.gz MSJGISWCQMLZDW-GXFFZTMASA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@@H](N[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337422 347767720 /nfs/dbraw/zinc/76/77/20/347767720.db2.gz CGYMIXUSZWYCDI-ZWNOBZJWSA-N 0 3 264.325 2.406 20 5 CEBDHN COc1ccc(CNC[C@]2(O)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000336895133 365939581 /nfs/dbraw/zinc/93/95/81/365939581.db2.gz MOJYZTUQNPBFGS-IAQYHMDHSA-N 0 3 294.351 2.244 20 5 CEBDHN COCCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000351881567 219236895 /nfs/dbraw/zinc/23/68/95/219236895.db2.gz NIPMUOCERJMFPX-UHFFFAOYSA-N 0 3 252.314 2.453 20 5 CEBDHN Cc1cc(NC(=O)N[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000613776709 348100198 /nfs/dbraw/zinc/10/01/98/348100198.db2.gz ORINODZFZYSSIN-LBPRGKRZSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000273382494 192133238 /nfs/dbraw/zinc/13/32/38/192133238.db2.gz MWWCNSPKEWZZLC-LLVKDONJSA-N 0 3 290.323 2.058 20 5 CEBDHN Cc1c(CN2C[C@H](C)N(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000339622042 215272530 /nfs/dbraw/zinc/27/25/30/215272530.db2.gz MBUZFFDTAYJLOE-RYUDHWBXSA-N 0 3 277.368 2.428 20 5 CEBDHN O=C(NCC12CCCN1CCC2)c1csc([N+](=O)[O-])c1 ZINC000619574031 349201729 /nfs/dbraw/zinc/20/17/29/349201729.db2.gz KUZBRCQHZWDJPH-UHFFFAOYSA-N 0 3 295.364 2.015 20 5 CEBDHN CCC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552242 180002879 /nfs/dbraw/zinc/00/28/79/180002879.db2.gz LDJQDIWIIILVEA-ZDUSSCGKSA-N 0 3 293.367 2.269 20 5 CEBDHN Cc1cnc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000090692220 180024599 /nfs/dbraw/zinc/02/45/99/180024599.db2.gz APZITIFCRUDUTE-UHFFFAOYSA-N 0 3 264.329 2.196 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774021 180038866 /nfs/dbraw/zinc/03/88/66/180038866.db2.gz JJCMPJZQGFCINQ-GHMZBOCLSA-N 0 3 250.298 2.343 20 5 CEBDHN CC(C)[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393837 180375863 /nfs/dbraw/zinc/37/58/63/180375863.db2.gz MSFBTQAKJLQLLM-GXFFZTMASA-N 0 3 252.314 2.262 20 5 CEBDHN CCN(C[C@@H](C)O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204397 219360392 /nfs/dbraw/zinc/36/03/92/219360392.db2.gz XPUPIDHHLKBVAB-MNOVXSKESA-N 0 3 252.314 2.359 20 5 CEBDHN CCOCCN(CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000107679397 186185223 /nfs/dbraw/zinc/18/52/23/186185223.db2.gz UMRPFFFHSVXZIB-UHFFFAOYSA-N 0 3 252.314 2.453 20 5 CEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000122915284 187059620 /nfs/dbraw/zinc/05/96/20/187059620.db2.gz GQFUMXAAPMSMEH-RISCZKNCSA-N 0 3 291.351 2.150 20 5 CEBDHN C[C@H](NCCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000271607233 191237523 /nfs/dbraw/zinc/23/75/23/191237523.db2.gz AKYRCXONUVVUFE-JTQLQIEISA-N 0 3 252.314 2.406 20 5 CEBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000292262919 198223485 /nfs/dbraw/zinc/22/34/85/198223485.db2.gz YVULMLNZVWJXPB-UHFFFAOYSA-N 0 3 292.314 2.455 20 5 CEBDHN CCOc1ccc([C@H](C)NCC(C)(C)O)cc1[N+](=O)[O-] ZINC000153716222 188098657 /nfs/dbraw/zinc/09/86/57/188098657.db2.gz CPCUBTSTBRFROJ-JTQLQIEISA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](O)C23CCCC3)cc1 ZINC000292724977 198390175 /nfs/dbraw/zinc/39/01/75/198390175.db2.gz MGHAVIHYNWTHBB-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)CC)cc1[N+](=O)[O-] ZINC000293634843 198711949 /nfs/dbraw/zinc/71/19/49/198711949.db2.gz KLGXHUDCVXTLIB-PWSUYJOCSA-N 0 3 282.340 2.415 20 5 CEBDHN CCC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463133 366442183 /nfs/dbraw/zinc/44/21/83/366442183.db2.gz QGBPIXAGUOLSJH-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1cc(=O)n(CCN2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000578380225 366485756 /nfs/dbraw/zinc/48/57/56/366485756.db2.gz WVIYOYXAHLUIPX-RYUDHWBXSA-N 0 3 293.367 2.043 20 5 CEBDHN CC[C@@H](COC)NCc1cccc([N+](=O)[O-])c1C ZINC000079742994 363626527 /nfs/dbraw/zinc/62/65/27/363626527.db2.gz ZGXSHKXWGZNOAJ-LBPRGKRZSA-N 0 3 252.314 2.418 20 5 CEBDHN C[C@@H](NC[C@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579687 216020827 /nfs/dbraw/zinc/02/08/27/216020827.db2.gz ZQEAOBCWCPTQAW-ABAIWWIYSA-N 0 3 294.351 2.033 20 5 CEBDHN CC(C)N1CCCC[C@H]1Cn1cc([N+](=O)[O-])ccc1=O ZINC000339114751 366659607 /nfs/dbraw/zinc/65/96/07/366659607.db2.gz DXRQLCZISZXLJS-LBPRGKRZSA-N 0 3 279.340 2.019 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)C(C)C ZINC000342206814 216259618 /nfs/dbraw/zinc/25/96/18/216259618.db2.gz JTTCGGAMUNHYMS-ZDUSSCGKSA-N 0 3 296.367 2.348 20 5 CEBDHN Cc1c(NC(=O)NC(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000454207873 283663150 /nfs/dbraw/zinc/66/31/50/283663150.db2.gz WGGUTTNAEUFLLA-UHFFFAOYSA-N 0 3 294.355 2.365 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCc2ccccn2)c1 ZINC000020049619 361575826 /nfs/dbraw/zinc/57/58/26/361575826.db2.gz WEIASAUOQZWHCK-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN C[C@H](NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092591 361579069 /nfs/dbraw/zinc/57/90/69/361579069.db2.gz YZVNVYAHJBPLQF-GXFFZTMASA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@@H](NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092589 361579245 /nfs/dbraw/zinc/57/92/45/361579245.db2.gz YZVNVYAHJBPLQF-ZWNOBZJWSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])N(C)C ZINC000084440093 363811072 /nfs/dbraw/zinc/81/10/72/363811072.db2.gz MBNBPYQGAJCIIS-SECBINFHSA-N 0 3 271.748 2.288 20 5 CEBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000086699406 363837041 /nfs/dbraw/zinc/83/70/41/363837041.db2.gz LUBMLZIAPISSKU-CYBMUJFWSA-N 0 3 282.340 2.364 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCOC(F)(F)F)cc1 ZINC000089051663 363927264 /nfs/dbraw/zinc/92/72/64/363927264.db2.gz WAFZGHCTGRTFHP-UHFFFAOYSA-N 0 3 264.203 2.221 20 5 CEBDHN C[C@H](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000090514661 364060544 /nfs/dbraw/zinc/06/05/44/364060544.db2.gz YUKUKGCSOGWEBT-RMDKCXRXSA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000237646903 370741235 /nfs/dbraw/zinc/74/12/35/370741235.db2.gz SNGMSDVFVZWCPK-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)Cc2ccccc2)c1 ZINC000238048307 370768717 /nfs/dbraw/zinc/76/87/17/370768717.db2.gz HDGCUGOUHGUMKY-MRXNPFEDSA-N 0 3 286.331 2.288 20 5 CEBDHN C[C@]1(CNCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000094798371 364297267 /nfs/dbraw/zinc/29/72/67/364297267.db2.gz SSPUEHPGCALWHQ-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN CC[C@H](CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000094949517 364313261 /nfs/dbraw/zinc/31/32/61/364313261.db2.gz AVEQQRJTQURJHY-LLVKDONJSA-N 0 3 252.314 2.093 20 5 CEBDHN C[C@H](N[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793718 364844737 /nfs/dbraw/zinc/84/47/37/364844737.db2.gz NLQOKHYBXLKJCI-CMPLNLGQSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120542303 365440331 /nfs/dbraw/zinc/44/03/31/365440331.db2.gz ALFOTILTWYIXPF-FZMZJTMJSA-N 0 3 291.351 2.007 20 5 CEBDHN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236459 366893231 /nfs/dbraw/zinc/89/32/31/366893231.db2.gz YUWSSVRMKQEJMQ-RISCZKNCSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163247964 367227698 /nfs/dbraw/zinc/22/76/98/367227698.db2.gz GMRXVFCFTLXYLT-ZYHUDNBSSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000171103014 367477903 /nfs/dbraw/zinc/47/79/03/367477903.db2.gz DLFGDTVPAMYUTH-LLVKDONJSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000343452732 367824447 /nfs/dbraw/zinc/82/44/47/367824447.db2.gz ORRGJICCQFNDQY-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000174409180 368019914 /nfs/dbraw/zinc/01/99/14/368019914.db2.gz DPFCYMVLXVAVKI-NSHDSACASA-N 0 3 250.298 2.458 20 5 CEBDHN CC(C)(C)OC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000174433289 368022647 /nfs/dbraw/zinc/02/26/47/368022647.db2.gz VPJYTEHXDXKKNZ-UHFFFAOYSA-N 0 3 280.324 2.416 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000345060580 368142970 /nfs/dbraw/zinc/14/29/70/368142970.db2.gz MAVQXMIIIDSDPY-OBJOEFQTSA-N 0 3 276.336 2.491 20 5 CEBDHN CS[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000345349759 368244532 /nfs/dbraw/zinc/24/45/32/368244532.db2.gz QITIJFUXHLMMHO-QWHCGFSZSA-N 0 3 295.408 2.385 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)CCO ZINC000183478894 368629127 /nfs/dbraw/zinc/62/91/27/368629127.db2.gz WAJHVMOGYOSGFR-UHFFFAOYSA-N 0 3 252.314 2.154 20 5 CEBDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000246177312 370921810 /nfs/dbraw/zinc/92/18/10/370921810.db2.gz GSUGUNHJPYRUPL-JMSVASOKSA-N 0 3 294.351 2.439 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@H]1CCO ZINC000348161419 368927623 /nfs/dbraw/zinc/92/76/23/368927623.db2.gz NDDXXCWYESRASM-FZMZJTMJSA-N 0 3 294.351 2.244 20 5 CEBDHN CN1CC[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000349736965 369382801 /nfs/dbraw/zinc/38/28/01/369382801.db2.gz APIJLBWMWNOGQJ-SNVBAGLBSA-N 0 3 274.280 2.064 20 5 CEBDHN CO[C@H](C)[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000189111009 369459613 /nfs/dbraw/zinc/45/96/13/369459613.db2.gz IPSPPBXWVCPALG-WDEREUQCSA-N 0 3 252.314 2.416 20 5 CEBDHN Cc1ccc(-c2noc([C@@H]3CCN(C)C3)n2)cc1[N+](=O)[O-] ZINC000349961908 369465456 /nfs/dbraw/zinc/46/54/56/369465456.db2.gz YKCGXZSGSTWWRW-LLVKDONJSA-N 0 3 288.307 2.372 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@@H](O)C1(C)C ZINC000189328550 369498535 /nfs/dbraw/zinc/49/85/35/369498535.db2.gz PQNGCVLZGWDNRG-CHWSQXEVSA-N 0 3 264.325 2.152 20 5 CEBDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000037782867 296146226 /nfs/dbraw/zinc/14/62/26/296146226.db2.gz YMMHDRFOCVMFRP-NWDGAFQWSA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914999 203385125 /nfs/dbraw/zinc/38/51/25/203385125.db2.gz TYOFYFLDNVQKIX-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1CCO ZINC000189972490 369584493 /nfs/dbraw/zinc/58/44/93/369584493.db2.gz STTZAENGJWMWBF-WCQYABFASA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@@H]1CC(O)C[C@@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000191284794 369697793 /nfs/dbraw/zinc/69/77/93/369697793.db2.gz LETHTTKMEPVOJE-VXGBXAGGSA-N 0 3 294.351 2.207 20 5 CEBDHN CCOc1cc(CN(C)[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352667185 369824541 /nfs/dbraw/zinc/82/45/41/369824541.db2.gz JGRBMMZNNTWEAL-GXTWGEPZSA-N 0 3 294.351 2.339 20 5 CEBDHN COc1cc(CN[C@@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352812920 369889452 /nfs/dbraw/zinc/88/94/52/369889452.db2.gz ARTMKBDBRVSLOY-GXSJLCMTSA-N 0 3 282.365 2.445 20 5 CEBDHN CC(C)[C@](C)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000352896486 369940203 /nfs/dbraw/zinc/94/02/03/369940203.db2.gz XRPXCICUNIQYSR-ZDUSSCGKSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@@H]1COCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000353034686 369994069 /nfs/dbraw/zinc/99/40/69/369994069.db2.gz AVYJUURFECNEOW-MNOVXSKESA-N 0 3 282.315 2.496 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCCCCO)cs1 ZINC000224951623 370283730 /nfs/dbraw/zinc/28/37/30/370283730.db2.gz MBFNCTDRTLHNFQ-UHFFFAOYSA-N 0 3 258.343 2.299 20 5 CEBDHN CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000227072623 370357225 /nfs/dbraw/zinc/35/72/25/370357225.db2.gz IVHZFXPYTKOKMX-BFHYXJOUSA-N 0 3 276.336 2.498 20 5 CEBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651275 370377974 /nfs/dbraw/zinc/37/79/74/370377974.db2.gz QSPPVFZPOBEKJM-QMMMGPOBSA-N 0 3 270.720 2.007 20 5 CEBDHN CN(CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000227888900 370387900 /nfs/dbraw/zinc/38/79/00/370387900.db2.gz HWEDEDZMKZLZEX-UHFFFAOYSA-N 0 3 271.267 2.379 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000354352934 370329079 /nfs/dbraw/zinc/32/90/79/370329079.db2.gz KCZIRUQLBMTKHL-NWDGAFQWSA-N 0 3 278.356 2.299 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000236411342 370588807 /nfs/dbraw/zinc/58/88/07/370588807.db2.gz YSAOPYKDBMLUNA-OCCSQVGLSA-N 0 3 262.309 2.252 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247408680 371104660 /nfs/dbraw/zinc/10/46/60/371104660.db2.gz NBNGMBGDEJZNCC-NXEZZACHSA-N 0 3 297.380 2.069 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000359153841 371355992 /nfs/dbraw/zinc/35/59/92/371355992.db2.gz MANNXRRUJOILJC-STQMWFEESA-N 0 3 268.288 2.127 20 5 CEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nccn1C ZINC000268901263 372278989 /nfs/dbraw/zinc/27/89/89/372278989.db2.gz MEJZDXLSYZXNOZ-GFCCVEGCSA-N 0 3 288.351 2.439 20 5 CEBDHN CC1(C)[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000269625799 372509094 /nfs/dbraw/zinc/50/90/94/372509094.db2.gz CQOVMJFQTOZFNJ-MJBXVCDLSA-N 0 3 276.336 2.216 20 5 CEBDHN CCNC(=O)[C@@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344870147 217340701 /nfs/dbraw/zinc/34/07/01/217340701.db2.gz XKOMUUJAWMJKRA-JATZPVMKSA-N 0 3 291.351 2.112 20 5 CEBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000274533912 373954705 /nfs/dbraw/zinc/95/47/05/373954705.db2.gz USRUDVLTBZWZCD-CYBMUJFWSA-N 0 3 291.351 2.197 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](C3CC3)C2)c1 ZINC000372854600 374212269 /nfs/dbraw/zinc/21/22/69/374212269.db2.gz CSUFSJUNPISFHD-ZFWWWQNUSA-N 0 3 276.336 2.360 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@](O)(C2CC2)C1 ZINC000373315175 374326621 /nfs/dbraw/zinc/32/66/21/374326621.db2.gz CELBJAIOVCAJNE-WMHVBEDNSA-N 0 3 288.347 2.455 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000278399868 374805188 /nfs/dbraw/zinc/80/51/88/374805188.db2.gz FOOBPQSPNJMSJR-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN CCC[C@H](NC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573531 375191266 /nfs/dbraw/zinc/19/12/66/375191266.db2.gz SZWLDYVCJYJXPP-GJZGRUSLSA-N 0 3 296.367 2.423 20 5 CEBDHN CC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282358894 375465710 /nfs/dbraw/zinc/46/57/10/375465710.db2.gz DAWQEROVJOEENN-UHFFFAOYSA-N 0 3 250.298 2.048 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCOC1=O ZINC000282417601 375480223 /nfs/dbraw/zinc/48/02/23/375480223.db2.gz JBYIMSJRDPCUJC-ZDUSSCGKSA-N 0 3 292.335 2.022 20 5 CEBDHN CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282443547 375486092 /nfs/dbraw/zinc/48/60/92/375486092.db2.gz RZVMVOCMDKNQSS-OCCSQVGLSA-N 0 3 294.351 2.473 20 5 CEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1ccccc1[N+](=O)[O-] ZINC000286461263 375960392 /nfs/dbraw/zinc/96/03/92/375960392.db2.gz KIRSVOAOPOMNLG-XNHWPECASA-N 0 3 288.347 2.450 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000556958199 376527554 /nfs/dbraw/zinc/52/75/54/376527554.db2.gz FENDFGBAOAHLBN-CYBMUJFWSA-N 0 3 263.341 2.121 20 5 CEBDHN O=C(Nc1cccc2c1CNCC2)c1ccc([N+](=O)[O-])cc1 ZINC000318338045 376810854 /nfs/dbraw/zinc/81/08/54/376810854.db2.gz UIDDIQAIXDKYTQ-UHFFFAOYSA-N 0 3 297.314 2.493 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)N(C)C[C@H]1C ZINC000330579209 377191838 /nfs/dbraw/zinc/19/18/38/377191838.db2.gz ICIHECCDXWNSND-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN CCN1CCCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264765484 190133445 /nfs/dbraw/zinc/13/34/45/190133445.db2.gz NNEGHSKEFOOZPQ-NSHDSACASA-N 0 3 297.380 2.261 20 5 CEBDHN COCCOC[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820708 377298501 /nfs/dbraw/zinc/29/85/01/377298501.db2.gz KTVJFJHLXLJADP-SMDDNHRTSA-N 0 3 294.351 2.223 20 5 CEBDHN Cc1c(CN[C@@H](CO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000265455694 190183158 /nfs/dbraw/zinc/18/31/58/190183158.db2.gz VNGRHECUTUJMBT-ZDUSSCGKSA-N 0 3 266.341 2.400 20 5 CEBDHN CCCN1CCC(N(C)c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295551763 378208125 /nfs/dbraw/zinc/20/81/25/378208125.db2.gz PLELWTLGNACLCV-UHFFFAOYSA-N 0 3 293.371 2.004 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000449780829 378230677 /nfs/dbraw/zinc/23/06/77/378230677.db2.gz VYFANUKHNMBZFZ-QMTHXVAHSA-N 0 3 264.325 2.106 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450351953 378370559 /nfs/dbraw/zinc/37/05/59/378370559.db2.gz UUSIJDXZJWQOQU-JQWIXIFHSA-N 0 3 293.371 2.002 20 5 CEBDHN C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296147263 378431984 /nfs/dbraw/zinc/43/19/84/378431984.db2.gz VQBHAWUTUVMAQY-QWRGUYRKSA-N 0 3 279.340 2.112 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)c1 ZINC000450593770 378491511 /nfs/dbraw/zinc/49/15/11/378491511.db2.gz JIOSUVDAXGQGBG-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN COC[C@]1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296642564 378603924 /nfs/dbraw/zinc/60/39/24/378603924.db2.gz IJNYPPSLJXRBAC-OAHLLOKOSA-N 0 3 294.351 2.332 20 5 CEBDHN C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000266184776 190238107 /nfs/dbraw/zinc/23/81/07/190238107.db2.gz WOLCEANBHOKRHX-CQSZACIVSA-N 0 3 276.292 2.185 20 5 CEBDHN Cc1[nH]cnc1CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278511963 194021263 /nfs/dbraw/zinc/02/12/63/194021263.db2.gz APRVDVXNPNGSRK-VIFPVBQESA-N 0 3 288.307 2.046 20 5 CEBDHN CCN(CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000299135031 378912678 /nfs/dbraw/zinc/91/26/78/378912678.db2.gz OJTNBGKSPURXPO-UHFFFAOYSA-N 0 3 252.314 2.372 20 5 CEBDHN Cc1ccc(NC(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000299262306 378946716 /nfs/dbraw/zinc/94/67/16/378946716.db2.gz VTPYCXFQSZGPBH-GFCCVEGCSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@H]1CSC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000302564043 379397558 /nfs/dbraw/zinc/39/75/58/379397558.db2.gz NDRPJLRXNVETBF-JOYOIKCWSA-N 0 3 252.339 2.436 20 5 CEBDHN CC[C@@H](C)[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000304040787 379516056 /nfs/dbraw/zinc/51/60/56/379516056.db2.gz IPGIYHLMEZTSCR-RISCZKNCSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034063 190371357 /nfs/dbraw/zinc/37/13/57/190371357.db2.gz LVOQOUPLPRDJQT-QWRGUYRKSA-N 0 3 277.324 2.312 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@@H](CO)O1 ZINC000551226630 380638781 /nfs/dbraw/zinc/63/87/81/380638781.db2.gz HAKJAPDKVVFDRD-YUTCNCBUSA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000552137961 380687111 /nfs/dbraw/zinc/68/71/11/380687111.db2.gz VJOKRYBDXGZGKU-ZDUSSCGKSA-N 0 3 263.341 2.121 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493594124 381077492 /nfs/dbraw/zinc/07/74/92/381077492.db2.gz RJWWYEOPPOJYJL-YFHOEESVSA-N 0 3 291.351 2.064 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1O)CCC2 ZINC000193004033 285145626 /nfs/dbraw/zinc/14/56/26/285145626.db2.gz WIOCZTCCXHBRBJ-ILXRZTDVSA-N 0 3 276.336 2.475 20 5 CEBDHN O=[N+]([O-])c1ccccc1C[C@H](NCCF)C1CC1 ZINC000280560369 285161971 /nfs/dbraw/zinc/16/19/71/285161971.db2.gz ACVIFYJKYLAYRF-LBPRGKRZSA-N 0 3 252.289 2.475 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H](N3CCCC3)C2)s1 ZINC000365058306 285172835 /nfs/dbraw/zinc/17/28/35/285172835.db2.gz ZNOBHYQIAJETRR-SNVBAGLBSA-N 0 3 282.369 2.116 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C1CCCC1 ZINC000352706865 533137186 /nfs/dbraw/zinc/13/71/86/533137186.db2.gz PCFIZBNBPOXFGN-CQSZACIVSA-N 0 3 294.351 2.244 20 5 CEBDHN CN(CCNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000288465597 197086265 /nfs/dbraw/zinc/08/62/65/197086265.db2.gz OLTOLLWANBJAPM-UHFFFAOYSA-N 0 3 293.352 2.106 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C ZINC000421700066 394567670 /nfs/dbraw/zinc/56/76/70/394567670.db2.gz CYEJIFLMMLAVBY-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000421747319 394580918 /nfs/dbraw/zinc/58/09/18/394580918.db2.gz HKIJMOBMZJFCOH-UHFFFAOYSA-N 0 3 291.351 2.036 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)CC[C@H]1C ZINC000421377862 394517689 /nfs/dbraw/zinc/51/76/89/394517689.db2.gz SFHLBNQWVFXFQX-BXUZGUMPSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@H](O)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405776 394639388 /nfs/dbraw/zinc/63/93/88/394639388.db2.gz IRINLVXCLMIAHI-SWLSCSKDSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1cc(N[C@@H]2CN(C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268168692 394689709 /nfs/dbraw/zinc/68/97/09/394689709.db2.gz QEBIJAZWFSOQOR-ZYHUDNBSSA-N 0 3 276.340 2.193 20 5 CEBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000357047443 394692503 /nfs/dbraw/zinc/69/25/03/394692503.db2.gz WDIJGXLJYOBFGU-NWDGAFQWSA-N 0 3 263.341 2.119 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272178141 394767582 /nfs/dbraw/zinc/76/75/82/394767582.db2.gz JTBBWMCDPAUKKP-QMTHXVAHSA-N 0 3 279.315 2.264 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272314 394811376 /nfs/dbraw/zinc/81/13/76/394811376.db2.gz ZAXXZKSBQOOHOJ-YPMHNXCESA-N 0 3 275.352 2.310 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000423589584 394955187 /nfs/dbraw/zinc/95/51/87/394955187.db2.gz AGNOIMOMTGPRFL-NEPJUHHUSA-N 0 3 291.351 2.034 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]1(C)CO ZINC000517065506 395187288 /nfs/dbraw/zinc/18/72/88/395187288.db2.gz YWRTUADWYYWZQM-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN CO[C@@H](C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519619718 395198792 /nfs/dbraw/zinc/19/87/92/395198792.db2.gz VMQONWSJRHBBRX-CABZTGNLSA-N 0 3 250.298 2.207 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)CCCN(C)C2 ZINC000292870001 395207967 /nfs/dbraw/zinc/20/79/67/395207967.db2.gz SXSVMVWNQGEFFN-OAHLLOKOSA-N 0 3 290.367 2.220 20 5 CEBDHN COc1cc(CN[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000444713941 395448741 /nfs/dbraw/zinc/44/87/41/395448741.db2.gz HYGORSJBWYUBAR-ZDUSSCGKSA-N 0 3 282.340 2.100 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN(C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000420934090 395438560 /nfs/dbraw/zinc/43/85/60/395438560.db2.gz JLXZLZVULSQPTR-VDISTLRHSA-N 0 3 276.336 2.330 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)C(C)(C)O ZINC000451367273 395611247 /nfs/dbraw/zinc/61/12/47/395611247.db2.gz HWFMPFGWFFRFAJ-JTQLQIEISA-N 0 3 282.340 2.195 20 5 CEBDHN COc1cc(CN(C)[C@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000360482617 155309499 /nfs/dbraw/zinc/30/94/99/155309499.db2.gz KJZCAZDHTGLYIR-ZDUSSCGKSA-N 0 3 296.367 2.442 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@H](O)C1 ZINC000230670640 153399304 /nfs/dbraw/zinc/39/93/04/153399304.db2.gz LQEWPFVHRHCYAR-AAEUAGOBSA-N 0 3 264.325 2.236 20 5 CEBDHN Cn1ccnc1[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366952686 156108492 /nfs/dbraw/zinc/10/84/92/156108492.db2.gz AXQFBDPAHOTYEJ-ZDUSSCGKSA-N 0 3 286.335 2.318 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CCO3)CC2)cc1 ZINC000367104672 156134760 /nfs/dbraw/zinc/13/47/60/156134760.db2.gz AMGCFSHYJGUQRV-UHFFFAOYSA-N 0 3 292.335 2.229 20 5 CEBDHN CC[C@@H](NCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148654263 162300785 /nfs/dbraw/zinc/30/07/85/162300785.db2.gz KXCKQSWPDOTNRF-CYBMUJFWSA-N 0 3 289.339 2.007 20 5 CEBDHN CC(C)OC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285461672 196291664 /nfs/dbraw/zinc/29/16/64/196291664.db2.gz ZHRZBVZCFLLSSY-UHFFFAOYSA-N 0 3 294.351 2.411 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN(C)C1 ZINC000604229556 414821712 /nfs/dbraw/zinc/82/17/12/414821712.db2.gz UKEMDJKVZOAMGD-NSHDSACASA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@H](CO)[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077423395 177265987 /nfs/dbraw/zinc/26/59/87/177265987.db2.gz OVAIGVBVIPSSSQ-BDAKNGLRSA-N 0 3 272.732 2.355 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000077730267 177296926 /nfs/dbraw/zinc/29/69/26/177296926.db2.gz HDKIZSGLXMGFNO-ZDUSSCGKSA-N 0 3 293.367 2.301 20 5 CEBDHN CC[C@]1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000428444337 271266768 /nfs/dbraw/zinc/26/67/68/271266768.db2.gz VMHSIENJAYEJSZ-ZKKXHLJNSA-N 0 3 276.336 2.455 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCCOC1 ZINC000430227738 271365765 /nfs/dbraw/zinc/36/57/65/271365765.db2.gz SJMUUHPMQJLZTL-GFCCVEGCSA-N 0 3 294.351 2.462 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1NCCN1CCCCC1)CCN2 ZINC000278459878 275038598 /nfs/dbraw/zinc/03/85/98/275038598.db2.gz SPGUZVXMRBJNDA-UHFFFAOYSA-N 0 3 290.367 2.461 20 5 CEBDHN CC1(C)C[C@H](N[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296076602 276148915 /nfs/dbraw/zinc/14/89/15/276148915.db2.gz WZASCFQEWNPNOP-PXWWUCIGSA-N 0 3 276.336 2.430 20 5 CEBDHN CC[C@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132821632 276642212 /nfs/dbraw/zinc/64/22/12/276642212.db2.gz PEMDYFVXPWOCGH-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262848342 279105280 /nfs/dbraw/zinc/10/52/80/279105280.db2.gz YYKYOXHTFSLKBQ-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000086697451 279695928 /nfs/dbraw/zinc/69/59/28/279695928.db2.gz PRYXSPUNXSDCJY-ZDUSSCGKSA-N 0 3 252.314 2.355 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971906 279790653 /nfs/dbraw/zinc/79/06/53/279790653.db2.gz DQGZKZQORLFWEL-CORIIIEPSA-N 0 3 294.351 2.439 20 5 CEBDHN CC(C)NC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000134822420 280031196 /nfs/dbraw/zinc/03/11/96/280031196.db2.gz LVZALSSVZSEWCX-LLVKDONJSA-N 0 3 279.340 2.160 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C)CC[C@H]2C)n1 ZINC000359095887 280398731 /nfs/dbraw/zinc/39/87/31/280398731.db2.gz KNIZZRWQDRQECK-GFCCVEGCSA-N 0 3 278.356 2.137 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286208627 281020310 /nfs/dbraw/zinc/02/03/10/281020310.db2.gz OHRDJSRTDKHBMB-JTNHKYCSSA-N 0 3 291.351 2.017 20 5 CEBDHN Cc1ccnc(N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286472907 281465490 /nfs/dbraw/zinc/46/54/90/281465490.db2.gz VZELDZGSCHDHDR-CHWSQXEVSA-N 0 3 290.367 2.361 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000151321639 289054914 /nfs/dbraw/zinc/05/49/14/289054914.db2.gz YQIRCPORZFDQJL-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN CC[C@@H](NC[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380386 290131824 /nfs/dbraw/zinc/13/18/24/290131824.db2.gz BJCBDRBWRWMIRJ-GXTWGEPZSA-N 0 3 291.351 2.162 20 5 CEBDHN CC(C)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487999426 290373363 /nfs/dbraw/zinc/37/33/63/290373363.db2.gz AIOIVFFOOZHGFT-INIZCTEOSA-N 0 3 291.395 2.409 20 5 CEBDHN COC[C@H](NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000188170635 293155020 /nfs/dbraw/zinc/15/50/20/293155020.db2.gz RXDNMAJZWGRVIJ-AWEZNQCLSA-N 0 3 294.351 2.126 20 5 CEBDHN C[C@@]1(CO)CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000530464099 298073333 /nfs/dbraw/zinc/07/33/33/298073333.db2.gz WUAZDKOVJOOXSW-SZTZYQKNSA-N 0 3 276.336 2.455 20 5 CEBDHN C[C@@H](NC1(C2CC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000543454075 298310150 /nfs/dbraw/zinc/31/01/50/298310150.db2.gz CNTGWBBXTIBVTA-SNVBAGLBSA-N 0 3 289.335 2.454 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CO[C@@H](C)C1 ZINC000567898426 313917631 /nfs/dbraw/zinc/91/76/31/313917631.db2.gz POAVZAPJGWPUDR-JQWIXIFHSA-N 0 3 250.298 2.170 20 5 CEBDHN CN1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000573216387 314146830 /nfs/dbraw/zinc/14/68/30/314146830.db2.gz WZTANBRUXMLUCJ-CQSZACIVSA-N 0 3 294.330 2.051 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000582608512 322487748 /nfs/dbraw/zinc/48/77/48/322487748.db2.gz ISESHLIUDUMKNC-RISCZKNCSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417294911 533713113 /nfs/dbraw/zinc/71/31/13/533713113.db2.gz DETRGZVNCYKBAZ-QMTHXVAHSA-N 0 3 264.325 2.333 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000049558191 519776335 /nfs/dbraw/zinc/77/63/35/519776335.db2.gz LCONJDDSELKPMV-NSHDSACASA-N 0 3 266.345 2.378 20 5 CEBDHN CCCN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000061781962 519858931 /nfs/dbraw/zinc/85/89/31/519858931.db2.gz ROKYZEMGAUKRGY-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000161124720 521161483 /nfs/dbraw/zinc/16/14/83/521161483.db2.gz ROIJRKJTCSEDMR-UHFFFAOYSA-N 0 3 288.351 2.393 20 5 CEBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000052812239 521659765 /nfs/dbraw/zinc/65/97/65/521659765.db2.gz VDKAIGNFNDYRTG-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1cc(CNCCc2ccccc2[N+](=O)[O-])on1 ZINC000062726525 524754986 /nfs/dbraw/zinc/75/49/86/524754986.db2.gz MUCUSWZRSZVPSY-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000125872766 527872342 /nfs/dbraw/zinc/87/23/42/527872342.db2.gz NJDVDXOPLLJZEG-OLZOCXBDSA-N 0 3 292.335 2.416 20 5 CEBDHN CC[C@@](C)(CC(=O)OC)NCc1cccc([N+](=O)[O-])c1 ZINC000748242499 575181135 /nfs/dbraw/zinc/18/11/35/575181135.db2.gz NSJIASSIRORQML-AWEZNQCLSA-N 0 3 280.324 2.416 20 5 CEBDHN Cc1cc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111520 623048059 /nfs/dbraw/zinc/04/80/59/623048059.db2.gz IQCDPSALISFAIY-LLVKDONJSA-N 0 3 276.292 2.158 20 5 CEBDHN Cc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112575 623058771 /nfs/dbraw/zinc/05/87/71/623058771.db2.gz IQRYRVFEBUUUFR-NSHDSACASA-N 0 3 251.282 2.136 20 5 CEBDHN CO[C@@H]1CC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126065 624248335 /nfs/dbraw/zinc/24/83/35/624248335.db2.gz SORFWEGBQYSDJU-QWHCGFSZSA-N 0 3 250.298 2.204 20 5 CEBDHN COC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000892966708 627906181 /nfs/dbraw/zinc/90/61/81/627906181.db2.gz YFTJZVRYIIVGGV-LLVKDONJSA-N 0 3 298.339 2.070 20 5 CEBDHN COC[C@@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(C)C ZINC000892966708 627906183 /nfs/dbraw/zinc/90/61/83/627906183.db2.gz YFTJZVRYIIVGGV-LLVKDONJSA-N 0 3 298.339 2.070 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928427502 629503783 /nfs/dbraw/zinc/50/37/83/629503783.db2.gz MZVWGZJRCWHHEP-RYUDHWBXSA-N 0 3 291.351 2.034 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC2CC(C)C2)c1[N+](=O)[O-] ZINC000895514284 630230431 /nfs/dbraw/zinc/23/04/31/630230431.db2.gz QFWHVNSGXLVKCI-UHFFFAOYSA-N 0 3 280.324 2.445 20 5 CEBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000896509752 630578362 /nfs/dbraw/zinc/57/83/62/630578362.db2.gz JIKFRUSCTLXJDO-JUDXGUMMSA-N 0 3 294.351 2.438 20 5 CEBDHN CSCCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000799198726 630996556 /nfs/dbraw/zinc/99/65/56/630996556.db2.gz KKRXRJLWMWWMHA-CYBMUJFWSA-N 0 3 284.381 2.313 20 5 CEBDHN CN1CCC(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804330056 631664862 /nfs/dbraw/zinc/66/48/62/631664862.db2.gz JEUORFVSICKZIE-UHFFFAOYSA-N 0 3 280.284 2.009 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000925306116 631762351 /nfs/dbraw/zinc/76/23/51/631762351.db2.gz GPZDOQKTECRVQX-CMPLNLGQSA-N 0 3 292.339 2.117 20 5 CEBDHN CC1(C)CCN(CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000898035686 632030206 /nfs/dbraw/zinc/03/02/06/632030206.db2.gz WBQVAILTQYUOFO-UHFFFAOYSA-N 0 3 283.397 2.478 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H](O)C1CC1 ZINC000898207007 632087998 /nfs/dbraw/zinc/08/79/98/632087998.db2.gz YFNAAHOCWWYZHL-CQSZACIVSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1COC[C@@H]1C1CC1 ZINC000898388608 632477936 /nfs/dbraw/zinc/47/79/36/632477936.db2.gz UWLKDXVQUPWQTI-OLZOCXBDSA-N 0 3 262.309 2.109 20 5 CEBDHN CC(COC(=O)Cc1coc2ccccc12)[N+](=O)[O-] ZINC000813102306 632621567 /nfs/dbraw/zinc/62/15/67/632621567.db2.gz DRLXNRYUGBYDCN-VIFPVBQESA-N 0 3 263.249 2.184 20 5 CEBDHN CC(C)C[C@@H](C)OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102857 632621620 /nfs/dbraw/zinc/62/16/20/632621620.db2.gz KKVHZVQUSJECBJ-WDEREUQCSA-N 0 3 261.318 2.036 20 5 CEBDHN CC(C)OCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102759 632621909 /nfs/dbraw/zinc/62/19/09/632621909.db2.gz UXPXBUHBPOIVGR-NSHDSACASA-N 0 3 281.308 2.434 20 5 CEBDHN CC(COC(=O)c1cccc2cnccc21)[N+](=O)[O-] ZINC000813102495 632622019 /nfs/dbraw/zinc/62/20/19/632622019.db2.gz GGXVTVGUZXBZBZ-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813103715 632622395 /nfs/dbraw/zinc/62/23/95/632622395.db2.gz GFKPSBAPOSTFPJ-VIFPVBQESA-N 0 3 265.265 2.020 20 5 CEBDHN CC(COC(=O)c1csc(-c2ccoc2)n1)[N+](=O)[O-] ZINC000813106102 632623294 /nfs/dbraw/zinc/62/32/94/632623294.db2.gz YHMZDASYASNDAE-SSDOTTSWSA-N 0 3 282.277 2.225 20 5 CEBDHN Cc1ccccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813105816 632623460 /nfs/dbraw/zinc/62/34/60/632623460.db2.gz VBJXMDYYIFEGGM-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N+](=O)[O-] ZINC000813105955 632623967 /nfs/dbraw/zinc/62/39/67/632623967.db2.gz WJNAEEVOMVUAEV-SSDOTTSWSA-N 0 3 294.219 2.163 20 5 CEBDHN CC[C@@H](C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109586 632626806 /nfs/dbraw/zinc/62/68/06/632626806.db2.gz MSLFEAUWAHIDPV-NXEZZACHSA-N 0 3 282.296 2.081 20 5 CEBDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112092 632627345 /nfs/dbraw/zinc/62/73/45/632627345.db2.gz ZNCBHJOPCUKXIG-AEJSXWLSSA-N 0 3 269.322 2.368 20 5 CEBDHN CC(COC(=O)c1cc2c(s1)CCC2)[N+](=O)[O-] ZINC000813115557 632629525 /nfs/dbraw/zinc/62/95/25/632629525.db2.gz VDSCDCZEFKWTRE-SSDOTTSWSA-N 0 3 255.295 2.059 20 5 CEBDHN Cc1cncc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819193969 634100245 /nfs/dbraw/zinc/10/02/45/634100245.db2.gz NCNMIERRLCBIFT-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC2CC(F)(F)C2)c1 ZINC000819264326 634121247 /nfs/dbraw/zinc/12/12/47/634121247.db2.gz REYOZKPAWUFSMP-NSHDSACASA-N 0 3 272.251 2.016 20 5 CEBDHN COc1cc([C@@H](C)N[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128498 634983652 /nfs/dbraw/zinc/98/36/52/634983652.db2.gz ZSTFNICZSNQABW-KOLCDFICSA-N 0 3 266.297 2.043 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2COC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903223601 635023434 /nfs/dbraw/zinc/02/34/34/635023434.db2.gz HQVZCWZKKUYZMB-BHDSKKPTSA-N 0 3 280.324 2.289 20 5 CEBDHN Cc1cc(Cl)ccc1OCCCNCC[N+](=O)[O-] ZINC000905068280 635810240 /nfs/dbraw/zinc/81/02/40/635810240.db2.gz MNTFCNRMNWFJBN-UHFFFAOYSA-N 0 3 272.732 2.284 20 5 CEBDHN O=[N+]([O-])CCN[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000905135931 635840361 /nfs/dbraw/zinc/84/03/61/635840361.db2.gz XVVNEZXCPMXIFO-LLVKDONJSA-N 0 3 283.759 2.175 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H](CO)C1 ZINC000876509684 650296206 /nfs/dbraw/zinc/29/62/06/650296206.db2.gz GJJSPHPEKXNFLB-ZDUSSCGKSA-N 0 3 278.352 2.416 20 5 CEBDHN CCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910297024 638000630 /nfs/dbraw/zinc/00/06/30/638000630.db2.gz UFUXNIVMVBYUQV-GFCCVEGCSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1ccn(-c2ccccc2C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000835456207 638264288 /nfs/dbraw/zinc/26/42/88/638264288.db2.gz TVSYNHWDMBNLJU-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)c1cc[nH]c1C1CCC1)[N+](=O)[O-] ZINC000845577606 641002917 /nfs/dbraw/zinc/00/29/17/641002917.db2.gz XSJWIDDJKONACH-MRVPVSSYSA-N 0 3 252.270 2.104 20 5 CEBDHN CC([C@@H](OC(=O)C1=COCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879425 641117745 /nfs/dbraw/zinc/11/77/45/641117745.db2.gz VBATXWREKLIPLE-TVQRCGJNSA-N 0 3 295.266 2.379 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)c2ccco2)c1 ZINC000070141120 641635473 /nfs/dbraw/zinc/63/54/73/641635473.db2.gz OIXVMIOQXOTCAP-GFCCVEGCSA-N 0 3 262.265 2.011 20 5 CEBDHN COC(=O)N(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000850550051 642750040 /nfs/dbraw/zinc/75/00/40/642750040.db2.gz KKQGIFMHQOFDOK-NSHDSACASA-N 0 3 295.339 2.252 20 5 CEBDHN CC[C@@H](NCCN(C)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000850550509 642750498 /nfs/dbraw/zinc/75/04/98/642750498.db2.gz PSVZYJFXEPCOPT-CYBMUJFWSA-N 0 3 295.339 2.334 20 5 CEBDHN C[C@H](NC[C@H](O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000852096551 643299467 /nfs/dbraw/zinc/29/94/67/643299467.db2.gz LTMJXBYYMSFJKL-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN Cc1ccc(CNCCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000922931626 643457548 /nfs/dbraw/zinc/45/75/48/643457548.db2.gz VNYRNWXVZRGZJT-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN C[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199792 644487060 /nfs/dbraw/zinc/48/70/60/644487060.db2.gz PDCVKTPRBFYQGF-FZMZJTMJSA-N 0 3 296.392 2.456 20 5 CEBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000776277601 647045273 /nfs/dbraw/zinc/04/52/73/647045273.db2.gz OMIZBKZJOXVZPO-UHIISALHSA-N 0 3 296.392 2.454 20 5 CEBDHN CO[C@@]1(C)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554820 648542732 /nfs/dbraw/zinc/54/27/32/648542732.db2.gz DRWUKTNSDLCMCB-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN CO[C@@H]1CC[C@@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322116 651285517 /nfs/dbraw/zinc/28/55/17/651285517.db2.gz QIWACLORZUXHNU-DFBGVHRSSA-N 0 3 294.351 2.128 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC12OCCO2 ZINC000883179087 652390769 /nfs/dbraw/zinc/39/07/69/652390769.db2.gz MTJHWNGAEHLWNC-CQSZACIVSA-N 0 3 292.335 2.288 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC12OCCO2 ZINC000883179086 652390993 /nfs/dbraw/zinc/39/09/93/652390993.db2.gz MTJHWNGAEHLWNC-AWEZNQCLSA-N 0 3 292.335 2.288 20 5 CEBDHN COC[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883200302 652397858 /nfs/dbraw/zinc/39/78/58/652397858.db2.gz FYMKSIFIMCBTDS-KGLIPLIRSA-N 0 3 294.351 2.126 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CC2CC2)cc1[N+](=O)[O-] ZINC000884171355 652740276 /nfs/dbraw/zinc/74/02/76/652740276.db2.gz STTQMYKBARJVST-ZWNOBZJWSA-N 0 3 291.351 2.208 20 5 CEBDHN CC/C(C)=C\C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001126752616 806521754 /nfs/dbraw/zinc/52/17/54/806521754.db2.gz RIWRPYDIEYGORZ-XFXZXTDPSA-N 0 3 291.351 2.157 20 5 CEBDHN C[C@@H](NC[C@](C)(O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000698571517 807247669 /nfs/dbraw/zinc/24/76/69/807247669.db2.gz UTRWPPLDJWJVLA-PELKAZGASA-N 0 3 274.267 2.262 20 5 CEBDHN CC[C@@H](C[C@H](C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000716828987 815152153 /nfs/dbraw/zinc/15/21/53/815152153.db2.gz KTQLLGXYKBQOOI-ONGXEEELSA-N 0 3 270.304 2.373 20 5 CEBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967478 811318724 /nfs/dbraw/zinc/31/87/24/811318724.db2.gz PWSCQMNZNZOVJS-GXFFZTMASA-N 0 3 280.299 2.043 20 5 CEBDHN Cc1cccc(C2(N[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970851 811320911 /nfs/dbraw/zinc/32/09/11/811320911.db2.gz IYSOECQQPDVUQO-UKRRQHHQSA-N 0 3 290.363 2.256 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@H]1COC[C@@H]1F)CC2 ZINC001172908057 815540351 /nfs/dbraw/zinc/54/03/51/815540351.db2.gz WOMQCBRTCVAARS-VHDGCEQUSA-N 0 3 294.326 2.169 20 5 CEBDHN Cc1nccc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233023 815632617 /nfs/dbraw/zinc/63/26/17/815632617.db2.gz GQXAQFGIEZHTGC-NSHDSACASA-N 0 3 286.335 2.414 20 5 CEBDHN COCCOCCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000035015570 361804113 /nfs/dbraw/zinc/80/41/13/361804113.db2.gz LDIDWNBYNGCOKR-UHFFFAOYSA-N 0 3 282.340 2.046 20 5 CEBDHN Cc1n[nH]cc1CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449159128 282124659 /nfs/dbraw/zinc/12/46/59/282124659.db2.gz XSCNABHRLIUNPG-SNVBAGLBSA-N 0 3 274.324 2.347 20 5 CEBDHN C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000125230157 187175545 /nfs/dbraw/zinc/17/55/45/187175545.db2.gz JWBRSHATNCCOIN-BXUZGUMPSA-N 0 3 264.325 2.188 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCOC(F)F)cc1 ZINC000337865632 214291315 /nfs/dbraw/zinc/29/13/15/214291315.db2.gz OAVWJTKILZDWPM-UHFFFAOYSA-N 0 3 260.240 2.314 20 5 CEBDHN Cc1cc(N(C)C[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000080605530 344016398 /nfs/dbraw/zinc/01/63/98/344016398.db2.gz IEFADEQUZYIQOX-GFCCVEGCSA-N 0 3 278.356 2.076 20 5 CEBDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000125879610 187203634 /nfs/dbraw/zinc/20/36/34/187203634.db2.gz WUHBMTIOERYVFK-YPMHNXCESA-N 0 3 291.351 2.256 20 5 CEBDHN CNC(=O)CCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000269982002 190579734 /nfs/dbraw/zinc/57/97/34/190579734.db2.gz YCYDHAOQMJGPKN-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000567796210 299092590 /nfs/dbraw/zinc/09/25/90/299092590.db2.gz KRBPPGNNEILOFC-OCCSQVGLSA-N 0 3 292.335 2.214 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000047701568 362222518 /nfs/dbraw/zinc/22/25/18/362222518.db2.gz SQWOBSLYSMGTDN-LLVKDONJSA-N 0 3 250.298 2.063 20 5 CEBDHN CCC1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000075859561 343869692 /nfs/dbraw/zinc/86/96/92/343869692.db2.gz KNXJCBFYXAXUEA-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN CC(C)[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000091484258 344165496 /nfs/dbraw/zinc/16/54/96/344165496.db2.gz KFUFBJYJBYCKEP-AWEZNQCLSA-N 0 3 263.341 2.371 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN([C@H]1CCCC[C@@H]1O)C2 ZINC000089940920 344132942 /nfs/dbraw/zinc/13/29/42/344132942.db2.gz PUXJAYLLJSKIIY-GJZGRUSLSA-N 0 3 276.336 2.256 20 5 CEBDHN CC(C)(C)OCCNCc1cccc([N+](=O)[O-])c1 ZINC000122200952 344305452 /nfs/dbraw/zinc/30/54/52/344305452.db2.gz KWFHONFZJZCCAF-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCOC2)c(Cl)c1 ZINC000049963517 362388384 /nfs/dbraw/zinc/38/83/84/362388384.db2.gz NBVJCHRNXNLUIP-SECBINFHSA-N 0 3 270.716 2.374 20 5 CEBDHN Cc1cc(C(=O)NC[C@@H](C)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000139751203 344395165 /nfs/dbraw/zinc/39/51/65/344395165.db2.gz RPIGPNAOYYYCTJ-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000236732468 344597194 /nfs/dbraw/zinc/59/71/94/344597194.db2.gz PFTFXASFRBHCQV-WCQYABFASA-N 0 3 293.367 2.454 20 5 CEBDHN COC(=O)[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000280673276 344674956 /nfs/dbraw/zinc/67/49/56/344674956.db2.gz GCQUGTNTBPCVSO-JTNHKYCSSA-N 0 3 292.335 2.397 20 5 CEBDHN C[C@H](C[C@@H]1CCCC(=O)N1)NCc1ccccc1[N+](=O)[O-] ZINC000602515991 347063519 /nfs/dbraw/zinc/06/35/19/347063519.db2.gz FSFYKAXZFJIAAV-YPMHNXCESA-N 0 3 291.351 2.132 20 5 CEBDHN C[C@H]1C[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602514597 347063890 /nfs/dbraw/zinc/06/38/90/347063890.db2.gz LGSGEMYPDBLKSF-DTWKUNHWSA-N 0 3 261.281 2.482 20 5 CEBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1cccs1 ZINC000273233565 192082933 /nfs/dbraw/zinc/08/29/33/192082933.db2.gz XOQBBGJTMAYNPU-JTQLQIEISA-N 0 3 293.352 2.161 20 5 CEBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877334 345104151 /nfs/dbraw/zinc/10/41/51/345104151.db2.gz WFLDMTNRIGDRSL-LBPRGKRZSA-N 0 3 290.367 2.300 20 5 CEBDHN CC(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140088 345223543 /nfs/dbraw/zinc/22/35/43/345223543.db2.gz KVFBVUIOAMJBFG-SECBINFHSA-N 0 3 268.292 2.024 20 5 CEBDHN C[C@H](CO)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593082182 345435488 /nfs/dbraw/zinc/43/54/88/345435488.db2.gz GYCQGQVHCSNSDH-CYBMUJFWSA-N 0 3 292.379 2.478 20 5 CEBDHN Cc1c(CN(C)[C@H](C)CCO)cccc1[N+](=O)[O-] ZINC000593110276 345441364 /nfs/dbraw/zinc/44/13/64/345441364.db2.gz SXENAPQWGOWRFW-SNVBAGLBSA-N 0 3 252.314 2.106 20 5 CEBDHN CC(C)(C)[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640124 345664430 /nfs/dbraw/zinc/66/44/30/345664430.db2.gz ICCDLVYTMHYSRG-GFCCVEGCSA-N 0 3 275.312 2.221 20 5 CEBDHN CCOc1ccc([C@H](C)NC/C=C\CO)cc1[N+](=O)[O-] ZINC000595074062 345740206 /nfs/dbraw/zinc/74/02/06/345740206.db2.gz VGWGNCIRELKTCM-WYGGZMRJSA-N 0 3 280.324 2.193 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595107650 345743333 /nfs/dbraw/zinc/74/33/33/345743333.db2.gz PBYZMXAVTYDQKA-BIMULSAOSA-N 0 3 250.298 2.423 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN1CCN(CC2CC2)CC1 ZINC000595293667 345756206 /nfs/dbraw/zinc/75/62/06/345756206.db2.gz RWCCNLLUBSSOKI-UHFFFAOYSA-N 0 3 293.342 2.262 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000594938696 345710025 /nfs/dbraw/zinc/71/00/25/345710025.db2.gz OKCYIYBYTFYOEV-RAIGVLPGSA-N 0 3 292.335 2.190 20 5 CEBDHN CCO[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594970229 345719721 /nfs/dbraw/zinc/71/97/21/345719721.db2.gz VVHOYLNMFLBOLQ-HAQNSBGRSA-N 0 3 250.298 2.252 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)CC2CC2)cc1 ZINC000594981873 345721405 /nfs/dbraw/zinc/72/14/05/345721405.db2.gz BKEFVLCBPQLXSB-ZDUSSCGKSA-N 0 3 264.325 2.093 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000594987443 345722068 /nfs/dbraw/zinc/72/20/68/345722068.db2.gz KMQLWZHEADCTRM-KBPBESRZSA-N 0 3 276.336 2.296 20 5 CEBDHN CO[C@@]1(C)C[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000594995981 345723372 /nfs/dbraw/zinc/72/33/72/345723372.db2.gz PMBUBLOWHSDNJZ-UMGRQFOVSA-N 0 3 262.309 2.375 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCn1ccnc1 ZINC000595005130 345724755 /nfs/dbraw/zinc/72/47/55/345724755.db2.gz YAMIBCHWQZRJBZ-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN CC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595045876 345734225 /nfs/dbraw/zinc/73/42/25/345734225.db2.gz UVFJZUGWBFJZHN-GXSJLCMTSA-N 0 3 268.313 2.025 20 5 CEBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCN1C ZINC000595546962 345809406 /nfs/dbraw/zinc/80/94/06/345809406.db2.gz QOFKTDOHSYVTFT-ZDUSSCGKSA-N 0 3 281.331 2.260 20 5 CEBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000595546961 345809501 /nfs/dbraw/zinc/80/95/01/345809501.db2.gz QOFKTDOHSYVTFT-CYBMUJFWSA-N 0 3 281.331 2.260 20 5 CEBDHN COC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595424186 345778255 /nfs/dbraw/zinc/77/82/55/345778255.db2.gz OVCCQRZSFSAPHO-LBPRGKRZSA-N 0 3 268.288 2.249 20 5 CEBDHN COC[C@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000595509544 345799026 /nfs/dbraw/zinc/79/90/26/345799026.db2.gz HGUZVZWLRKSPGJ-NSHDSACASA-N 0 3 282.340 2.081 20 5 CEBDHN CN(C)CC(C)(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595529953 345804318 /nfs/dbraw/zinc/80/43/18/345804318.db2.gz LGJAEXJFFVIRPI-UHFFFAOYSA-N 0 3 269.320 2.164 20 5 CEBDHN N[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595905520 345911108 /nfs/dbraw/zinc/91/11/08/345911108.db2.gz DKWVIBFXPAEIOU-GHMZBOCLSA-N 0 3 287.722 2.119 20 5 CEBDHN CCCN1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596482460 346035191 /nfs/dbraw/zinc/03/51/91/346035191.db2.gz SQTNVEWOMBWGHT-LBPRGKRZSA-N 0 3 292.339 2.201 20 5 CEBDHN CC(C)[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1 ZINC000596501831 346040419 /nfs/dbraw/zinc/04/04/19/346040419.db2.gz QGLJAAAYTRKEGL-ZDUSSCGKSA-N 0 3 292.339 2.057 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597047276 346120137 /nfs/dbraw/zinc/12/01/37/346120137.db2.gz PWUCLEQAWXCITA-TZMCWYRMSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597052421 346120745 /nfs/dbraw/zinc/12/07/45/346120745.db2.gz BTWCEEVRFCUNPO-WFASDCNBSA-N 0 3 292.335 2.131 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597075991 346123992 /nfs/dbraw/zinc/12/39/92/346123992.db2.gz NSQILFAHHGZTLS-OCCSQVGLSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCN(C)C1 ZINC000597665387 346212478 /nfs/dbraw/zinc/21/24/78/346212478.db2.gz HLFSXLFXNFARNL-NSHDSACASA-N 0 3 277.324 2.102 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597856841 346238650 /nfs/dbraw/zinc/23/86/50/346238650.db2.gz BCZVEJXJYSGRKL-ZDUSSCGKSA-N 0 3 291.351 2.197 20 5 CEBDHN C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)N1 ZINC000599110305 346461270 /nfs/dbraw/zinc/46/12/70/346461270.db2.gz PPECCMCPUQJEIQ-PHIMTYICSA-N 0 3 290.367 2.055 20 5 CEBDHN COCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000117873352 136583260 /nfs/dbraw/zinc/58/32/60/136583260.db2.gz PKYIDNSPXHLAQC-UHFFFAOYSA-N 0 3 293.367 2.143 20 5 CEBDHN CCC[C@@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236893132 370647975 /nfs/dbraw/zinc/64/79/75/370647975.db2.gz VYKGSZIZHPFMFV-GFCCVEGCSA-N 0 3 299.758 2.334 20 5 CEBDHN CC(C)O[C@@H]1C[C@@H](NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616202 347104373 /nfs/dbraw/zinc/10/43/73/347104373.db2.gz ILHSBKRBAGPBHO-VXGBXAGGSA-N 0 3 296.371 2.010 20 5 CEBDHN C[C@H]1CCCC[C@H]1N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814696 347210898 /nfs/dbraw/zinc/21/08/98/347210898.db2.gz NCQXTDZLRVZOQG-CMPLNLGQSA-N 0 3 266.345 2.339 20 5 CEBDHN CSC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602839382 347220202 /nfs/dbraw/zinc/22/02/02/347220202.db2.gz ILYGMNOHTJSKMD-LBPRGKRZSA-N 0 3 298.412 2.175 20 5 CEBDHN COC(C)(C)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963473 347258624 /nfs/dbraw/zinc/25/86/24/347258624.db2.gz WDBRFNIMTZCONX-HNNXBMFYSA-N 0 3 296.367 2.207 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603206308 347308844 /nfs/dbraw/zinc/30/88/44/347308844.db2.gz QKOYTWMPIKWMEZ-VIFPVBQESA-N 0 3 281.341 2.096 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223301 347314104 /nfs/dbraw/zinc/31/41/04/347314104.db2.gz IFMDCNAXVSWSOP-NSHDSACASA-N 0 3 293.302 2.174 20 5 CEBDHN CCOc1cc(NC[C@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418603 347365188 /nfs/dbraw/zinc/36/51/88/347365188.db2.gz HIYYYCLTQIJNLB-NSHDSACASA-N 0 3 297.380 2.110 20 5 CEBDHN CC(C)(C)CN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000609317096 347634090 /nfs/dbraw/zinc/63/40/90/347634090.db2.gz KLVKESIHOPFHSM-UHFFFAOYSA-N 0 3 266.341 2.435 20 5 CEBDHN C[C@@H](NCCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538830 347690328 /nfs/dbraw/zinc/69/03/28/347690328.db2.gz GUOZHSFWUYTPHZ-OLZOCXBDSA-N 0 3 294.351 2.299 20 5 CEBDHN CS[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000611370863 347770685 /nfs/dbraw/zinc/77/06/85/347770685.db2.gz ZUQQJHQGQDERJA-NXEZZACHSA-N 0 3 287.410 2.138 20 5 CEBDHN COc1cc(CN(CCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000611515733 347789043 /nfs/dbraw/zinc/78/90/43/347789043.db2.gz MBTVDWHBMPNUMF-UHFFFAOYSA-N 0 3 296.367 2.444 20 5 CEBDHN CC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1C ZINC000612580245 347903728 /nfs/dbraw/zinc/90/37/28/347903728.db2.gz DOQPMKVZSGYKDV-GFCCVEGCSA-N 0 3 252.314 2.418 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000086626208 179313019 /nfs/dbraw/zinc/31/30/19/179313019.db2.gz QITRGSHJTXFMFI-GXSJLCMTSA-N 0 3 252.314 2.182 20 5 CEBDHN COC1CCN(CCNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000614977348 348262251 /nfs/dbraw/zinc/26/22/51/348262251.db2.gz ULJMCZCGHKMLJF-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000351943329 219257550 /nfs/dbraw/zinc/25/75/50/219257550.db2.gz GBPPCIBVZZVIGU-CHWSQXEVSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCC(C)CC1 ZINC000067273458 362905131 /nfs/dbraw/zinc/90/51/31/362905131.db2.gz RVAHVCFVVRDSBO-LLVKDONJSA-N 0 3 295.339 2.038 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357388358 233060940 /nfs/dbraw/zinc/06/09/40/233060940.db2.gz INLBGAUYWZOBNU-NWDGAFQWSA-N 0 3 291.351 2.116 20 5 CEBDHN CCC[C@H](NC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847939 180044133 /nfs/dbraw/zinc/04/41/33/180044133.db2.gz XHZBROFGIDSXBJ-LSDHHAIUSA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@@H]1[C@H](CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000412084758 233334873 /nfs/dbraw/zinc/33/48/73/233334873.db2.gz QSZAVSSMKGJAJB-YPMHNXCESA-N 0 3 264.325 2.188 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)C[C@H](C)O ZINC000352209861 219362946 /nfs/dbraw/zinc/36/29/46/219362946.db2.gz DAAKCONTFHVLLC-JTQLQIEISA-N 0 3 252.314 2.106 20 5 CEBDHN CN(C)CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000070160761 363039697 /nfs/dbraw/zinc/03/96/97/363039697.db2.gz UBWBDTHLWLRWEW-UHFFFAOYSA-N 0 3 271.748 2.242 20 5 CEBDHN C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000122656948 187044357 /nfs/dbraw/zinc/04/43/57/187044357.db2.gz WWSUHCHUPPZPJT-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000122656500 187044360 /nfs/dbraw/zinc/04/43/60/187044360.db2.gz WWSUHCHUPPZPJT-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN CC(C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291936141 198110020 /nfs/dbraw/zinc/11/00/20/198110020.db2.gz TVXHLJYDMHBMID-GJZGRUSLSA-N 0 3 294.351 2.128 20 5 CEBDHN C[C@@H](NCCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000271607235 191238262 /nfs/dbraw/zinc/23/82/62/191238262.db2.gz AKYRCXONUVVUFE-SNVBAGLBSA-N 0 3 252.314 2.406 20 5 CEBDHN COCC(C)(C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000292153518 198183119 /nfs/dbraw/zinc/18/31/19/198183119.db2.gz NSPBWSPCJCEPIP-UHFFFAOYSA-N 0 3 252.314 2.452 20 5 CEBDHN Cc1c([C@@H](C)NCCNC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000155431636 188205747 /nfs/dbraw/zinc/20/57/47/188205747.db2.gz FQAOHORQGIQTBX-LLVKDONJSA-N 0 3 291.351 2.080 20 5 CEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1cccs1 ZINC000157576453 188325762 /nfs/dbraw/zinc/32/57/62/188325762.db2.gz DZQNCJMABMIFQE-UHFFFAOYSA-N 0 3 280.353 2.375 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451544153 283028247 /nfs/dbraw/zinc/02/82/47/283028247.db2.gz MJAYNHFWZPOTKO-WFASDCNBSA-N 0 3 294.351 2.330 20 5 CEBDHN CC(C)c1ccc(CNC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000338172165 366219784 /nfs/dbraw/zinc/21/97/84/366219784.db2.gz HNHLRERGFSTNOI-ZDUSSCGKSA-N 0 3 294.351 2.223 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000133775261 366253661 /nfs/dbraw/zinc/25/36/61/366253661.db2.gz QIIAPDKODYYQCL-JTQLQIEISA-N 0 3 277.324 2.252 20 5 CEBDHN COCCOC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000075950230 363500292 /nfs/dbraw/zinc/50/02/92/363500292.db2.gz HUKLUHXVSGTSMG-CQSZACIVSA-N 0 3 294.351 2.080 20 5 CEBDHN CCC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463815 366441886 /nfs/dbraw/zinc/44/18/86/366441886.db2.gz XLUMKJAYPFXKFP-GHMZBOCLSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150615 299285290 /nfs/dbraw/zinc/28/52/90/299285290.db2.gz CRJFBAMCXZNDGM-APBUJDDRSA-N 0 3 282.365 2.157 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN(C)CC1 ZINC000297998466 200315468 /nfs/dbraw/zinc/31/54/68/200315468.db2.gz XPMRNVDBRRUYOI-GFCCVEGCSA-N 0 3 263.341 2.293 20 5 CEBDHN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000571289141 299302743 /nfs/dbraw/zinc/30/27/43/299302743.db2.gz REFBYJPEYRZJAJ-UHFFFAOYSA-N 0 3 278.308 2.089 20 5 CEBDHN CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000178021298 189086521 /nfs/dbraw/zinc/08/65/21/189086521.db2.gz PKALYQJBKDONBJ-GWCFXTLKSA-N 0 3 279.340 2.112 20 5 CEBDHN CC[C@H](NCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000179576588 189203709 /nfs/dbraw/zinc/20/37/09/189203709.db2.gz HKTBECVHOMAUFB-ZDUSSCGKSA-N 0 3 280.324 2.399 20 5 CEBDHN CCO[C@@H]1C[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732890 366695572 /nfs/dbraw/zinc/69/55/72/366695572.db2.gz BAXJLGORLJTGIW-MBNYWOFBSA-N 0 3 262.309 2.349 20 5 CEBDHN O=[N+]([O-])c1ccccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301698665 201146440 /nfs/dbraw/zinc/14/64/40/201146440.db2.gz CISKAQWOANHXMK-CYBMUJFWSA-N 0 3 291.351 2.260 20 5 CEBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000087818497 363871143 /nfs/dbraw/zinc/87/11/43/363871143.db2.gz ZZKORSZJPBGRBU-VHSXEESVSA-N 0 3 252.314 2.405 20 5 CEBDHN COCC[C@H](COC)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059667 299342863 /nfs/dbraw/zinc/34/28/63/299342863.db2.gz GSAUVIGSIRDOIK-RISCZKNCSA-N 0 3 294.351 2.223 20 5 CEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC1 ZINC000101957839 364579078 /nfs/dbraw/zinc/57/90/78/364579078.db2.gz KQRJPELHFNTBGK-UHFFFAOYSA-N 0 3 297.380 2.179 20 5 CEBDHN CCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000112384524 364802961 /nfs/dbraw/zinc/80/29/61/364802961.db2.gz NTMCLWFBOHVNLC-UHFFFAOYSA-N 0 3 294.355 2.448 20 5 CEBDHN COC[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112985469 364862908 /nfs/dbraw/zinc/86/29/08/364862908.db2.gz YPYQXAAIZAMKJR-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN CS[C@H](CO)[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303063 299357614 /nfs/dbraw/zinc/35/76/14/299357614.db2.gz XYXDWFKLAIPEIM-GAJTVXKRSA-N 0 3 296.392 2.284 20 5 CEBDHN C[C@@H](O)C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000159252256 366894499 /nfs/dbraw/zinc/89/44/99/366894499.db2.gz XLQXAHUYEYZLAC-DGCLKSJQSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H](O)C[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000159251972 366894780 /nfs/dbraw/zinc/89/47/80/366894780.db2.gz XLQXAHUYEYZLAC-YPMHNXCESA-N 0 3 264.325 2.330 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@@H]1O ZINC000159535494 366923671 /nfs/dbraw/zinc/92/36/71/366923671.db2.gz AJAQAFFOABXHSB-OCCSQVGLSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)C(=O)NCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159980800 366964232 /nfs/dbraw/zinc/96/42/32/366964232.db2.gz NTUTUWADELVUKT-GFCCVEGCSA-N 0 3 293.367 2.408 20 5 CEBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660342 299366019 /nfs/dbraw/zinc/36/60/19/299366019.db2.gz VNOAEMVSHWPMPI-WCFLWFBJSA-N 0 3 291.351 2.290 20 5 CEBDHN COc1cc(N[C@@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343594489 367904634 /nfs/dbraw/zinc/90/46/34/367904634.db2.gz LBNCYNSKDLNHMK-ZYHUDNBSSA-N 0 3 279.340 2.498 20 5 CEBDHN CN(CCc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174832561 368071658 /nfs/dbraw/zinc/07/16/58/368071658.db2.gz ORIBEAFZHVOTNK-UHFFFAOYSA-N 0 3 292.314 2.105 20 5 CEBDHN COCCOC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358198703 370948069 /nfs/dbraw/zinc/94/80/69/370948069.db2.gz YVRAPFGZEOJQJG-NEPJUHHUSA-N 0 3 282.340 2.297 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000246435979 370960298 /nfs/dbraw/zinc/96/02/98/370960298.db2.gz IOVVWMFXELHFLP-GXTWGEPZSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)[C@H](C)C1 ZINC000190044183 369590850 /nfs/dbraw/zinc/59/08/50/369590850.db2.gz AFAMZDGKFBJNBN-RISCZKNCSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@@H](N[C@@H](C)C[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000252767594 296148327 /nfs/dbraw/zinc/14/83/27/296148327.db2.gz RBTBOMIVXXZFTA-GARJFASQSA-N 0 3 252.314 2.405 20 5 CEBDHN COC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352417509 369723101 /nfs/dbraw/zinc/72/31/01/369723101.db2.gz QDPOWFODVDROOJ-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3occc3c2)c1 ZINC000352760673 369871401 /nfs/dbraw/zinc/87/14/01/369871401.db2.gz QYWRFKMPAQGRQC-UHFFFAOYSA-N 0 3 286.291 2.327 20 5 CEBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150140 370040304 /nfs/dbraw/zinc/04/03/04/370040304.db2.gz IPIIDBINYFEXQZ-ZFWWWQNUSA-N 0 3 294.351 2.187 20 5 CEBDHN CC(C)[C@@H]1CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028185 369990214 /nfs/dbraw/zinc/99/02/14/369990214.db2.gz PJDOAYCDGBBGBG-HIFRSBDPSA-N 0 3 294.351 2.065 20 5 CEBDHN C[C@@H](NC[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000219162345 370221080 /nfs/dbraw/zinc/22/10/80/370221080.db2.gz JVGOBVQSWAKVDQ-VXGBXAGGSA-N 0 3 263.341 2.340 20 5 CEBDHN CC(C)(CCO)CNCc1csc([N+](=O)[O-])c1 ZINC000231399336 370479160 /nfs/dbraw/zinc/47/91/60/370479160.db2.gz WOPPMURRJBRITM-UHFFFAOYSA-N 0 3 258.343 2.155 20 5 CEBDHN CCC[C@@](C)(N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856586 370496401 /nfs/dbraw/zinc/49/64/01/370496401.db2.gz INOFMJJHKGLJMJ-CQSZACIVSA-N 0 3 279.340 2.037 20 5 CEBDHN C[C@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248084795 371160273 /nfs/dbraw/zinc/16/02/73/371160273.db2.gz JVHOASRTMNMORA-GXTWGEPZSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC000359084515 371331011 /nfs/dbraw/zinc/33/10/11/371331011.db2.gz REIVGYRUIASQFP-UHFFFAOYSA-N 0 3 278.356 2.139 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000252668383 371464909 /nfs/dbraw/zinc/46/49/09/371464909.db2.gz VYZUTRMEMPFTCZ-RYUDHWBXSA-N 0 3 295.314 2.009 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1 ZINC000262089291 371821676 /nfs/dbraw/zinc/82/16/76/371821676.db2.gz UQQCNRGCZBKIDG-MRXNPFEDSA-N 0 3 298.346 2.136 20 5 CEBDHN Cc1c(CN2CC[C@@H](CO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000344130900 217064291 /nfs/dbraw/zinc/06/42/91/217064291.db2.gz IIJDUXOVEWSJLI-WCQYABFASA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H]1C[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000344133534 217066774 /nfs/dbraw/zinc/06/67/74/217066774.db2.gz QDFAAUVYNMPOOA-DGCLKSJQSA-N 0 3 264.325 2.188 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361587218 371953579 /nfs/dbraw/zinc/95/35/79/371953579.db2.gz JIRAMHSVBMCBCF-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000344190928 217090261 /nfs/dbraw/zinc/09/02/61/217090261.db2.gz XXQSTICJXUQCBO-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268448445 372104654 /nfs/dbraw/zinc/10/46/54/372104654.db2.gz FLTCHKUESBAPKS-JQWIXIFHSA-N 0 3 278.356 2.075 20 5 CEBDHN C[C@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353142 217163704 /nfs/dbraw/zinc/16/37/04/217163704.db2.gz JJTCTEYQMGRRHC-GXSJLCMTSA-N 0 3 269.370 2.229 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000269660061 372522734 /nfs/dbraw/zinc/52/27/34/372522734.db2.gz OLLHUIGFXVVKMF-ZDUSSCGKSA-N 0 3 266.341 2.434 20 5 CEBDHN CCN(CCCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270756628 372937664 /nfs/dbraw/zinc/93/76/64/372937664.db2.gz WCEAQUROINCDOW-LLVKDONJSA-N 0 3 252.314 2.360 20 5 CEBDHN CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270848102 372981650 /nfs/dbraw/zinc/98/16/50/372981650.db2.gz GEHXVNCOBOACOO-GYSYKLTISA-N 0 3 264.325 2.359 20 5 CEBDHN COC[C@H](CNC/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000344798160 217314599 /nfs/dbraw/zinc/31/45/99/217314599.db2.gz RIOWJNAEQKEPPG-BLMSOEDDSA-N 0 3 294.351 2.249 20 5 CEBDHN COC[C@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271189132 373172676 /nfs/dbraw/zinc/17/26/76/373172676.db2.gz OQGSQZLXEUVHHS-ZDUSSCGKSA-N 0 3 264.325 2.372 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)C(F)F ZINC000344991283 217380004 /nfs/dbraw/zinc/38/00/04/217380004.db2.gz XVENICPSSAQNBC-BIPYJSMBSA-N 0 3 286.278 2.214 20 5 CEBDHN CCN(CCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272363937 373449727 /nfs/dbraw/zinc/44/97/27/373449727.db2.gz SPAOPISKJLDILM-NSHDSACASA-N 0 3 252.314 2.278 20 5 CEBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1=CCN(C)CC1 ZINC000272735719 373636078 /nfs/dbraw/zinc/63/60/78/373636078.db2.gz MEFFEWGYHOUVOD-SECBINFHSA-N 0 3 295.364 2.037 20 5 CEBDHN COc1cc(CN[C@@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274607260 373982551 /nfs/dbraw/zinc/98/25/51/373982551.db2.gz MXYHDTIOLSWPFU-VHSXEESVSA-N 0 3 298.314 2.257 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cc(F)cc(Cl)c2)c1 ZINC000274991478 374118618 /nfs/dbraw/zinc/11/86/18/374118618.db2.gz LZZOEJISGLMITA-UHFFFAOYSA-N 0 3 298.705 2.374 20 5 CEBDHN CCOc1cc(CN2CC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276856129 374327039 /nfs/dbraw/zinc/32/70/39/374327039.db2.gz FRLYINIGOONSKN-FZMZJTMJSA-N 0 3 294.351 2.196 20 5 CEBDHN CCOc1cc(CN2CC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276856126 374327407 /nfs/dbraw/zinc/32/74/07/374327407.db2.gz FRLYINIGOONSKN-BXUZGUMPSA-N 0 3 294.351 2.196 20 5 CEBDHN CCOc1cc(CN[C@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000276984182 374369578 /nfs/dbraw/zinc/36/95/78/374369578.db2.gz YTCOSTPTXAYHDR-CYBMUJFWSA-N 0 3 296.367 2.490 20 5 CEBDHN COc1cc(NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1F ZINC000277108439 374405987 /nfs/dbraw/zinc/40/59/87/374405987.db2.gz MTLMPEFYKROKTM-QMMMGPOBSA-N 0 3 271.292 2.105 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000373985391 374461461 /nfs/dbraw/zinc/46/14/61/374461461.db2.gz XLTPTVSUTWEMBX-DZGCQCFKSA-N 0 3 292.335 2.261 20 5 CEBDHN Cc1c(CN2CC[C@@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000385897438 375247959 /nfs/dbraw/zinc/24/79/59/375247959.db2.gz OCYJJVXNBFTJAM-AAEUAGOBSA-N 0 3 264.325 2.106 20 5 CEBDHN CC[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282599606 375526293 /nfs/dbraw/zinc/52/62/93/375526293.db2.gz XUZBNHXOUXDNJW-AWEZNQCLSA-N 0 3 282.315 2.471 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)[C@@H]1C ZINC000414567170 375860265 /nfs/dbraw/zinc/86/02/65/375860265.db2.gz GJXLSBTXHBISSA-GXTWGEPZSA-N 0 3 278.352 2.496 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000286193941 375868501 /nfs/dbraw/zinc/86/85/01/375868501.db2.gz BHJWOUYSICKYOV-NSHDSACASA-N 0 3 279.340 2.134 20 5 CEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN(C)C ZINC000286848707 376084023 /nfs/dbraw/zinc/08/40/23/376084023.db2.gz AWHMXDFUEILIIM-ZKQHCESOSA-N 0 3 291.351 2.064 20 5 CEBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000263678667 190072620 /nfs/dbraw/zinc/07/26/20/190072620.db2.gz DYWHEWUSQIDCML-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CO)C1 ZINC000263793830 190079061 /nfs/dbraw/zinc/07/90/61/190079061.db2.gz RGMWLOONWBUIEH-VXGBXAGGSA-N 0 3 264.325 2.360 20 5 CEBDHN CN(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289930231 376564561 /nfs/dbraw/zinc/56/45/61/376564561.db2.gz WJENCAHFJADPAS-UHFFFAOYSA-N 0 3 271.748 2.242 20 5 CEBDHN Cc1ccnc(N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000292730432 377266334 /nfs/dbraw/zinc/26/63/34/377266334.db2.gz IDPQUQIIGWERQD-HNNXBMFYSA-N 0 3 290.367 2.220 20 5 CEBDHN CC(C)NCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000565248792 377623650 /nfs/dbraw/zinc/62/36/50/377623650.db2.gz REXIPLQYEZTDJL-UHFFFAOYSA-N 0 3 293.367 2.032 20 5 CEBDHN C[C@H](NCCc1cn(C)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000313268206 249390990 /nfs/dbraw/zinc/39/09/90/249390990.db2.gz VMLTXNJZHUVUDF-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@H](NCCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293730954 377727804 /nfs/dbraw/zinc/72/78/04/377727804.db2.gz MYKQTGWJPKSIME-LBPRGKRZSA-N 0 3 292.383 2.314 20 5 CEBDHN C[C@@H]1CN(C)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432318779 377742654 /nfs/dbraw/zinc/74/26/54/377742654.db2.gz UWCLULBXEXBBHK-LLVKDONJSA-N 0 3 286.335 2.283 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000295286494 378086647 /nfs/dbraw/zinc/08/66/47/378086647.db2.gz TVVNGXHXLIIRBL-GFCCVEGCSA-N 0 3 268.288 2.391 20 5 CEBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000347197964 218152732 /nfs/dbraw/zinc/15/27/32/218152732.db2.gz IITNFIRUQBMYMI-BXUZGUMPSA-N 0 3 292.335 2.021 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](O)C1 ZINC000347345996 218199258 /nfs/dbraw/zinc/19/92/58/218199258.db2.gz VDEPNAZFVVRNAP-JOHMGYAOSA-N 0 3 262.309 2.065 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H](O)C2(CC2)C1 ZINC000347371270 218209946 /nfs/dbraw/zinc/20/99/46/218209946.db2.gz JQNYWFGQYZQJMR-XCHKQJEOSA-N 0 3 288.347 2.455 20 5 CEBDHN Cc1nn(C)c(NC[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301098093 379194072 /nfs/dbraw/zinc/19/40/72/379194072.db2.gz KWXJSSFPOPAECO-MNOVXSKESA-N 0 3 295.387 2.169 20 5 CEBDHN C[C@@H](Cn1cccn1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670568 379236226 /nfs/dbraw/zinc/23/62/26/379236226.db2.gz PWPSHXKPQKEVES-FZMZJTMJSA-N 0 3 286.335 2.457 20 5 CEBDHN CC(C)COC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854243 190284872 /nfs/dbraw/zinc/28/48/72/190284872.db2.gz JKGXRZHQTGQQPD-OLZOCXBDSA-N 0 3 296.367 2.279 20 5 CEBDHN CCN1CCCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000267184615 190309870 /nfs/dbraw/zinc/30/98/70/190309870.db2.gz GBBFVWMCQNLGNS-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279086342 194278102 /nfs/dbraw/zinc/27/81/02/194278102.db2.gz ORUOTVPOCZMUMS-DZGCQCFKSA-N 0 3 294.351 2.187 20 5 CEBDHN CO[C@@]1(C)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000279337495 194389302 /nfs/dbraw/zinc/38/93/02/194389302.db2.gz PLMGGOOBQBBSSS-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CCCC3)C2)s1 ZINC000375600780 285182459 /nfs/dbraw/zinc/18/24/59/285182459.db2.gz VUZJHBBKJVQPEC-VIFPVBQESA-N 0 3 282.369 2.480 20 5 CEBDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252733397 131138255 /nfs/dbraw/zinc/13/82/55/131138255.db2.gz ZEIDCQJEQBOXRM-BFKGZMGPSA-N 0 3 284.381 2.403 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)c2cccnc21 ZINC000413267292 394515817 /nfs/dbraw/zinc/51/58/17/394515817.db2.gz ZXAVWPMBYLXIKF-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN CCCN1C[C@@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000421355481 394509159 /nfs/dbraw/zinc/50/91/59/394509159.db2.gz UMKROGBFZQEMFN-SNVBAGLBSA-N 0 3 297.380 2.004 20 5 CEBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000421699026 394567593 /nfs/dbraw/zinc/56/75/93/394567593.db2.gz ABOLHADQEFAXQL-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)c1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000422709559 394732290 /nfs/dbraw/zinc/73/22/90/394732290.db2.gz KRFXPLASNUZJSW-UHFFFAOYSA-N 0 3 291.351 2.154 20 5 CEBDHN Cc1c([C@H](C)N[C@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063286 394710828 /nfs/dbraw/zinc/71/08/28/394710828.db2.gz YHXGIXYOARTHSS-PWSUYJOCSA-N 0 3 289.339 2.234 20 5 CEBDHN COCC[C@H](COC)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000336829831 394880199 /nfs/dbraw/zinc/88/01/99/394880199.db2.gz DPADDUZZGLEAJH-CYBMUJFWSA-N 0 3 282.340 2.044 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCNCC1(F)F ZINC000415011374 394848446 /nfs/dbraw/zinc/84/84/46/394848446.db2.gz ZYRSIVBWJDIGPE-LBPRGKRZSA-N 0 3 299.321 2.238 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2cncs2)cc1 ZINC000133103206 394944346 /nfs/dbraw/zinc/94/43/46/394944346.db2.gz UZCLSIFAIQWAHJ-UHFFFAOYSA-N 0 3 279.321 2.220 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN(C)C ZINC000286275396 395018341 /nfs/dbraw/zinc/01/83/41/395018341.db2.gz DRZFWVWVBJMIDC-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000286337586 395020727 /nfs/dbraw/zinc/02/07/27/395020727.db2.gz LVECBOAUCFTWKR-JTQLQIEISA-N 0 3 289.339 2.002 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000375039516 395090286 /nfs/dbraw/zinc/09/02/86/395090286.db2.gz NFWAOMAPYYWFMF-YGRLFVJLSA-N 0 3 279.315 2.264 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCn3ccnc3C2)c(F)c1 ZINC000494403588 395110824 /nfs/dbraw/zinc/11/08/24/395110824.db2.gz IDCFUTWONZISGD-LLVKDONJSA-N 0 3 290.298 2.035 20 5 CEBDHN COc1ccc(CN[C@H]2CC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000190955237 395344868 /nfs/dbraw/zinc/34/48/68/395344868.db2.gz SHYUFXCCIKNLAF-RYUDHWBXSA-N 0 3 280.324 2.261 20 5 CEBDHN CC1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)OCCO1 ZINC000193065739 395400918 /nfs/dbraw/zinc/40/09/18/395400918.db2.gz UOZBYDLWSSWDEP-CQSZACIVSA-N 0 3 292.335 2.325 20 5 CEBDHN COCC1(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474387 395528929 /nfs/dbraw/zinc/52/89/29/395528929.db2.gz HESLPVRJAYWXJZ-GFCCVEGCSA-N 0 3 262.309 2.351 20 5 CEBDHN CC[C@H](NC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468748 153321842 /nfs/dbraw/zinc/32/18/42/153321842.db2.gz ATYJMTWGPCOYNE-WDEREUQCSA-N 0 3 274.267 2.262 20 5 CEBDHN C[C@@H](NCCC[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000228044426 153356317 /nfs/dbraw/zinc/35/63/17/153356317.db2.gz XXCPAJRPVHIWDV-WDEREUQCSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H]1OCC[C@]1(C)NCc1cccc([N+](=O)[O-])c1 ZINC000230151803 153382321 /nfs/dbraw/zinc/38/23/21/153382321.db2.gz BQEDCEQKEIEFBR-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1c(CNCC2=CCCOC2)cccc1[N+](=O)[O-] ZINC000359788912 155129184 /nfs/dbraw/zinc/12/91/84/155129184.db2.gz BJEGMTMMIJNQFK-UHFFFAOYSA-N 0 3 262.309 2.340 20 5 CEBDHN Cc1c([C@H](C)NCCn2cccn2)cccc1[N+](=O)[O-] ZINC000180429171 165309036 /nfs/dbraw/zinc/30/90/36/165309036.db2.gz QYTKJOYNNMASGA-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007273170 170275104 /nfs/dbraw/zinc/27/51/04/170275104.db2.gz KLFCWHKFXFFSLR-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN C[C@H](NCCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526179 171238849 /nfs/dbraw/zinc/23/88/49/171238849.db2.gz BGTGMXQWZZDMHL-LBPRGKRZSA-N 0 3 263.341 2.341 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CCC(C)(C)O ZINC000285227358 196226662 /nfs/dbraw/zinc/22/66/62/196226662.db2.gz FSABUYPAVMDIGC-UHFFFAOYSA-N 0 3 266.341 2.230 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCOC1=O ZINC000285389234 196269547 /nfs/dbraw/zinc/26/95/47/196269547.db2.gz SHWHQVOBKYGZJU-CYBMUJFWSA-N 0 3 292.335 2.022 20 5 CEBDHN COc1ccc(CNC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000285608397 196342036 /nfs/dbraw/zinc/34/20/36/196342036.db2.gz VQESTHDOMWPLJR-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN O=[N+]([O-])c1cnccc1NCCN1CCCCCC1 ZINC000040768110 174398806 /nfs/dbraw/zinc/39/88/06/174398806.db2.gz AUVQPLSNCFMDLM-UHFFFAOYSA-N 0 3 264.329 2.278 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](O)C3)o2)cc1 ZINC000179950293 260081570 /nfs/dbraw/zinc/08/15/70/260081570.db2.gz NUIRNNWHQIBQIS-CYBMUJFWSA-N 0 3 288.303 2.421 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000395157347 270345757 /nfs/dbraw/zinc/34/57/57/270345757.db2.gz CJGGVNGGPSVOQJ-GXTWGEPZSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@@H]1C[C@H](CO)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645450 270360403 /nfs/dbraw/zinc/36/04/03/270360403.db2.gz ZGNCQBKINFEHTK-YPMHNXCESA-N 0 3 264.325 2.045 20 5 CEBDHN CCC1(CC)[C@H](NCc2c([N+](=O)[O-])ncn2C)C[C@H]1OC ZINC000429292612 271320751 /nfs/dbraw/zinc/32/07/51/271320751.db2.gz XJAXRPRZUAQUCR-VXGBXAGGSA-N 0 3 296.371 2.012 20 5 CEBDHN C[C@H]1CN(C)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432318784 271486064 /nfs/dbraw/zinc/48/60/64/271486064.db2.gz UWCLULBXEXBBHK-NSHDSACASA-N 0 3 286.335 2.283 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000272178139 277178419 /nfs/dbraw/zinc/17/84/19/277178419.db2.gz JTBBWMCDPAUKKP-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN CO[C@]1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000122860484 277779041 /nfs/dbraw/zinc/77/90/41/277779041.db2.gz XVAZGBIMWSAMSG-RISCZKNCSA-N 0 3 280.324 2.051 20 5 CEBDHN COc1cccc(N2CC[C@@H]3CC[C@H](C2)N3C)c1[N+](=O)[O-] ZINC000185503683 278016775 /nfs/dbraw/zinc/01/67/75/278016775.db2.gz NGKBOBQNLVLIKT-NWDGAFQWSA-N 0 3 291.351 2.276 20 5 CEBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000186265692 278255626 /nfs/dbraw/zinc/25/56/26/278255626.db2.gz UJRPUJIZYADTPA-NSHDSACASA-N 0 3 295.339 2.182 20 5 CEBDHN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417358797 278285266 /nfs/dbraw/zinc/28/52/66/278285266.db2.gz UNLKYSNSYSYRIO-XHVZSJERSA-N 0 3 250.298 2.159 20 5 CEBDHN C[C@@H](N[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000044685733 278384756 /nfs/dbraw/zinc/38/47/56/278384756.db2.gz LKUHYIXTGKDSGQ-YPMHNXCESA-N 0 3 275.352 2.482 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)C1NCc1c([N+](=O)[O-])ncn1C ZINC000330841057 278489996 /nfs/dbraw/zinc/48/99/96/278489996.db2.gz NHGVREJEXAREKT-NXEZZACHSA-N 0 3 266.345 2.243 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266222631 279398361 /nfs/dbraw/zinc/39/83/61/279398361.db2.gz IAFSZGJFLVATSZ-NWDGAFQWSA-N 0 3 278.356 2.156 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@H](C)O ZINC000247687293 280338344 /nfs/dbraw/zinc/33/83/44/280338344.db2.gz VHJWBFMZWPBBIA-WDEREUQCSA-N 0 3 252.314 2.359 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CNCCC1(F)F ZINC000414995491 280374247 /nfs/dbraw/zinc/37/42/47/280374247.db2.gz FQCRRWQLTLXXMF-MASHWEEQSA-N 0 3 297.305 2.195 20 5 CEBDHN Cc1cccc(N2CCN(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000302504333 281228068 /nfs/dbraw/zinc/22/80/68/281228068.db2.gz PVJNKDJOOYTODW-UHFFFAOYSA-N 0 3 275.352 2.435 20 5 CEBDHN O=C(CNC1(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000541595356 298281062 /nfs/dbraw/zinc/28/10/62/298281062.db2.gz TXLZPVWIHOHRRC-UHFFFAOYSA-N 0 3 275.308 2.066 20 5 CEBDHN CCN(C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577504122 314384842 /nfs/dbraw/zinc/38/48/42/314384842.db2.gz SQWCPNYMCXUUHR-UHFFFAOYSA-N 0 3 278.356 2.232 20 5 CEBDHN CC[C@@H](NCC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000183644295 522815617 /nfs/dbraw/zinc/81/56/17/522815617.db2.gz KYRZMZHDQSQPDC-GFCCVEGCSA-N 0 3 279.340 2.147 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000049502229 524610862 /nfs/dbraw/zinc/61/08/62/524610862.db2.gz XXTBBFIHAAKMQQ-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN Cc1c(CN2CCCC[C@H]2C(=N)NO)cccc1[N+](=O)[O-] ZINC000364768538 525706877 /nfs/dbraw/zinc/70/68/77/525706877.db2.gz JDYJBHBSXVORFP-ZDUSSCGKSA-N 0 3 292.339 2.214 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCCC[C@H]32)c1 ZINC000366094445 527414278 /nfs/dbraw/zinc/41/42/78/527414278.db2.gz JKNMIOLBPQWOTD-WCQYABFASA-N 0 3 264.329 2.056 20 5 CEBDHN CC[C@](C)(CC(=O)OC)NCc1ccc([N+](=O)[O-])cc1 ZINC000748243235 574438005 /nfs/dbraw/zinc/43/80/05/574438005.db2.gz WGRTWWIVGVKPMV-CQSZACIVSA-N 0 3 280.324 2.416 20 5 CEBDHN CCN(Cn1nc(C)c2cc([N+](=O)[O-])cnc21)C1CCC1 ZINC000749954766 575241828 /nfs/dbraw/zinc/24/18/28/575241828.db2.gz NZOUTNOTNJGXOW-UHFFFAOYSA-N 0 3 289.339 2.480 20 5 CEBDHN CC(COC(=O)[C@H](C)c1ccccc1F)[N+](=O)[O-] ZINC000813108437 623040741 /nfs/dbraw/zinc/04/07/41/623040741.db2.gz YLYHFBOCRMTCOE-DTWKUNHWSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(COC(=O)[C@H](c1ccccc1)C1CC1)[N+](=O)[O-] ZINC000813115459 623082192 /nfs/dbraw/zinc/08/21/92/623082192.db2.gz SRTCNTGFTFWNRF-GXFFZTMASA-N 0 3 263.293 2.389 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813115687 623086047 /nfs/dbraw/zinc/08/60/47/623086047.db2.gz XXQVGRFRWHDLQK-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN CC[S@](=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135461718 624233671 /nfs/dbraw/zinc/23/36/71/624233671.db2.gz ZOLMAAIECYBOQS-XTZNXHDOSA-N 0 3 270.354 2.014 20 5 CEBDHN CO[C@H]1CC[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126063 624248196 /nfs/dbraw/zinc/24/81/96/624248196.db2.gz SORFWEGBQYSDJU-OLZOCXBDSA-N 0 3 250.298 2.204 20 5 CEBDHN CCCCN(CC[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000930828259 628280937 /nfs/dbraw/zinc/28/09/37/628280937.db2.gz ZILZZYUSNRTTOE-NSHDSACASA-N 0 3 283.397 2.379 20 5 CEBDHN CN1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000893939160 629054880 /nfs/dbraw/zinc/05/48/80/629054880.db2.gz IACOTHTVLKHLHX-TVQRCGJNSA-N 0 3 281.743 2.389 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000894413696 629444893 /nfs/dbraw/zinc/44/48/93/629444893.db2.gz NOTDHYHSLFQHKT-SCZZXKLOSA-N 0 3 298.364 2.150 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000894413696 629444898 /nfs/dbraw/zinc/44/48/98/629444898.db2.gz NOTDHYHSLFQHKT-SCZZXKLOSA-N 0 3 298.364 2.150 20 5 CEBDHN CO[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000799343136 631016999 /nfs/dbraw/zinc/01/69/99/631016999.db2.gz AVSQVJXHCCWLRY-DFBGVHRSSA-N 0 3 294.351 2.128 20 5 CEBDHN COC(=O)C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801539516 631285906 /nfs/dbraw/zinc/28/59/06/631285906.db2.gz HYPJHKFLXMXIRY-LBPRGKRZSA-N 0 3 296.298 2.165 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801544999 631286757 /nfs/dbraw/zinc/28/67/57/631286757.db2.gz XVMHEACBFQRXJH-GXTWGEPZSA-N 0 3 298.314 2.018 20 5 CEBDHN Cc1[nH]c2ccccc2c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103473 632621901 /nfs/dbraw/zinc/62/19/01/632621901.db2.gz BPFLYNRDVUISAU-SECBINFHSA-N 0 3 276.292 2.227 20 5 CEBDHN CC(COC(=O)Cc1coc(-c2cccs2)n1)[N+](=O)[O-] ZINC000813102702 632622026 /nfs/dbraw/zinc/62/20/26/632622026.db2.gz IZDIRRCUYSAQFP-QMMMGPOBSA-N 0 3 296.304 2.154 20 5 CEBDHN CC(COC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813102010 632622082 /nfs/dbraw/zinc/62/20/82/632622082.db2.gz MUTOIPUXLBJTAA-SECBINFHSA-N 0 3 295.339 2.338 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813103659 632622511 /nfs/dbraw/zinc/62/25/11/632622511.db2.gz DMEUBGUJNKFNTG-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN Cc1ccccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813105815 632623222 /nfs/dbraw/zinc/62/32/22/632623222.db2.gz VBJXMDYYIFEGGM-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCc2ccccc21)[N+](=O)[O-] ZINC000813106177 632623939 /nfs/dbraw/zinc/62/39/39/632623939.db2.gz ZXUBXDPLCXBTOB-JQWIXIFHSA-N 0 3 263.293 2.315 20 5 CEBDHN CC(COC(=O)[C@H](C)CCOc1ccccc1)[N+](=O)[O-] ZINC000813106740 632624990 /nfs/dbraw/zinc/62/49/90/632624990.db2.gz GMHULUWHONHIBU-NEPJUHHUSA-N 0 3 281.308 2.300 20 5 CEBDHN C/C(=C/c1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112529 632627701 /nfs/dbraw/zinc/62/77/01/632627701.db2.gz HTURTKZRUUNVRB-RNKPRXRFSA-N 0 3 267.256 2.437 20 5 CEBDHN Cc1oc2ccccc2c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114151 632628580 /nfs/dbraw/zinc/62/85/80/632628580.db2.gz NETPOUYIWQPLGX-SECBINFHSA-N 0 3 277.276 2.492 20 5 CEBDHN Cc1ccc(C)c(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115509 632629292 /nfs/dbraw/zinc/62/92/92/632629292.db2.gz UFUBUMRYQBAIPR-GFCCVEGCSA-N 0 3 293.319 2.475 20 5 CEBDHN CC(COC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)[N+](=O)[O-] ZINC000813115504 632629305 /nfs/dbraw/zinc/62/93/05/632629305.db2.gz UDANQVJWDUYJPR-CSMHCCOUSA-N 0 3 269.219 2.173 20 5 CEBDHN COc1ccc(OCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115406 632629517 /nfs/dbraw/zinc/62/95/17/632629517.db2.gz RCLZZDXBYQPFHF-NSHDSACASA-N 0 3 297.307 2.063 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1 ZINC000822643647 634961646 /nfs/dbraw/zinc/96/16/46/634961646.db2.gz HFTBIJAHKUCTOX-IEBDPFPHSA-N 0 3 272.264 2.068 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903112840 634977721 /nfs/dbraw/zinc/97/77/21/634977721.db2.gz JNPNKQVXLQWIGM-GMXVVIOVSA-N 0 3 292.335 2.191 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000903298986 635046392 /nfs/dbraw/zinc/04/63/92/635046392.db2.gz BIPLLKXDCJJJAH-NJZAAPMLSA-N 0 3 294.351 2.358 20 5 CEBDHN O=[N+]([O-])CCN[C@H]1C[C@H](Sc2ccccc2)C1 ZINC000905405733 636259388 /nfs/dbraw/zinc/25/93/88/636259388.db2.gz SSYYQUBAMXVRCW-UMSPYCQHSA-N 0 3 252.339 2.176 20 5 CEBDHN CCN(CCSC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830999640 637214545 /nfs/dbraw/zinc/21/45/45/637214545.db2.gz QOQUFZTZGHWFRF-CYBMUJFWSA-N 0 3 284.381 2.313 20 5 CEBDHN CCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000835453854 638262291 /nfs/dbraw/zinc/26/22/91/638262291.db2.gz HJWOVWBPUQRYPG-SNVBAGLBSA-N 0 3 297.307 2.306 20 5 CEBDHN C[C@H](NC[C@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203431 639745703 /nfs/dbraw/zinc/74/57/03/639745703.db2.gz XKDONDMXVOMPAU-QWRGUYRKSA-N 0 3 280.324 2.397 20 5 CEBDHN CC1(C)[C@@H]2CN(Cn3ncc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000172942194 639831522 /nfs/dbraw/zinc/83/15/22/639831522.db2.gz LDXXPDQNVJDBIW-BETUJISGSA-N 0 3 286.335 2.490 20 5 CEBDHN C[C@H](N[C@H]1CO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000842710060 640156740 /nfs/dbraw/zinc/15/67/40/640156740.db2.gz JPKQSESOGLSPPT-JBLDHEPKSA-N 0 3 250.298 2.423 20 5 CEBDHN CN(C)CC1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000923760731 641021188 /nfs/dbraw/zinc/02/11/88/641021188.db2.gz LICBXZIJFBYOOO-UHFFFAOYSA-N 0 3 288.307 2.238 20 5 CEBDHN CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877020 641117313 /nfs/dbraw/zinc/11/73/13/641117313.db2.gz DEAVPTBBMJDBFG-PELKAZGASA-N 0 3 255.245 2.485 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)c1ccco1 ZINC000848523098 642032807 /nfs/dbraw/zinc/03/28/07/642032807.db2.gz ZRVKUODKFYCREF-JSGCOSHPSA-N 0 3 288.303 2.498 20 5 CEBDHN COC(CCN[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000851907702 643219092 /nfs/dbraw/zinc/21/90/92/643219092.db2.gz VXTJYZUZMODZEI-SNVBAGLBSA-N 0 3 268.313 2.254 20 5 CEBDHN CCOCCOCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000922945663 643471097 /nfs/dbraw/zinc/47/10/97/643471097.db2.gz UOUNFQOXOSKCHJ-UHFFFAOYSA-N 0 3 296.367 2.354 20 5 CEBDHN CO[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000877827569 650923991 /nfs/dbraw/zinc/92/39/91/650923991.db2.gz CBILISHKIUSSAI-XUJVJEKNSA-N 0 3 294.351 2.297 20 5 CEBDHN CCOc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776399 645901855 /nfs/dbraw/zinc/90/18/55/645901855.db2.gz DYBFVZLYWYMMQK-NSHDSACASA-N 0 3 281.308 2.226 20 5 CEBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000776277602 647045224 /nfs/dbraw/zinc/04/52/24/647045224.db2.gz OMIZBKZJOXVZPO-WDMOLILDSA-N 0 3 296.392 2.454 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2cn(C3CC3)cn2)c1 ZINC000865511910 647333947 /nfs/dbraw/zinc/33/39/47/647333947.db2.gz JADQHIQHMUAFCS-UHFFFAOYSA-N 0 3 286.335 2.459 20 5 CEBDHN C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077903 649265198 /nfs/dbraw/zinc/26/51/98/649265198.db2.gz NKIRVMNGJCKHFL-KXUCPTDWSA-N 0 3 295.314 2.039 20 5 CEBDHN CO[C@H]1CC[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321733 651285630 /nfs/dbraw/zinc/28/56/30/651285630.db2.gz RDHWTSJTAWHMLF-OLZOCXBDSA-N 0 3 294.351 2.473 20 5 CEBDHN CC1(F)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879382914 651295222 /nfs/dbraw/zinc/29/52/22/651295222.db2.gz ULEDYKVUWTYNGR-ZDUSSCGKSA-N 0 3 282.315 2.452 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC(F)CC2)c1 ZINC000880242588 651407638 /nfs/dbraw/zinc/40/76/38/651407638.db2.gz DTNPJKOOJADTBD-UHFFFAOYSA-N 0 3 268.288 2.408 20 5 CEBDHN CC[S@](=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130871283 652350540 /nfs/dbraw/zinc/35/05/40/652350540.db2.gz YFPOXZRECGYKJX-NSPYISDASA-N 0 3 284.381 2.322 20 5 CEBDHN C/C=C/C[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000883090150 652360803 /nfs/dbraw/zinc/36/08/03/652360803.db2.gz CYQFZCOKXDUUKE-JDGPPOGSSA-N 0 3 250.298 2.012 20 5 CEBDHN C/C=C\C[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000883090152 652361259 /nfs/dbraw/zinc/36/12/59/652361259.db2.gz CYQFZCOKXDUUKE-ZZKXABKFSA-N 0 3 250.298 2.012 20 5 CEBDHN COc1cc(C[NH2+]C[C@H]2C=CCC2)c([N+](=O)[O-])cc1[O-] ZINC000883238542 652410520 /nfs/dbraw/zinc/41/05/20/652410520.db2.gz FYOODBNNEATUAV-JTQLQIEISA-N 0 3 278.308 2.365 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN1CC ZINC000883360838 652443612 /nfs/dbraw/zinc/44/36/12/652443612.db2.gz MSNTVQRPZIQCDN-AWEZNQCLSA-N 0 3 293.367 2.177 20 5 CEBDHN C[C@@H](N)c1nc2ccccc2n1-c1cccc([N+](=O)[O-])n1 ZINC001155247754 811025835 /nfs/dbraw/zinc/02/58/35/811025835.db2.gz LGYFTUDXGZHNSG-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976175 811304741 /nfs/dbraw/zinc/30/47/41/811304741.db2.gz ZCANGLSKSPCCQB-WDEREUQCSA-N 0 3 280.299 2.043 20 5 CEBDHN Cc1ccc(C(=O)CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168982920 811310364 /nfs/dbraw/zinc/31/03/64/811310364.db2.gz JFHHWXGKXSEKCV-OCCSQVGLSA-N 0 3 276.336 2.213 20 5 CEBDHN C[C@@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168995608 811325817 /nfs/dbraw/zinc/32/58/17/811325817.db2.gz SGBORONWFCUZCJ-BBBLOLIVSA-N 0 3 255.343 2.239 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3occc3C2)C1 ZINC001169039954 811348985 /nfs/dbraw/zinc/34/89/85/811348985.db2.gz WHICRCIKVSXCRL-CMPLNLGQSA-N 0 3 250.298 2.083 20 5 CEBDHN CCC[C@@H](N[C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601304509 346816082 /nfs/dbraw/zinc/81/60/82/346816082.db2.gz QVFANHAOEIONOL-RBSFLKMASA-N 0 3 294.351 2.175 20 5 CEBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000034486068 361792195 /nfs/dbraw/zinc/79/21/95/361792195.db2.gz CPPLYHWAJWTDDK-UHFFFAOYSA-N 0 3 257.721 2.246 20 5 CEBDHN COc1ccc(CNCCc2ccncc2)cc1[N+](=O)[O-] ZINC000037871713 361957934 /nfs/dbraw/zinc/95/79/34/361957934.db2.gz UYXRSXMXAADONR-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN CC1CCN(CCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040771693 361996859 /nfs/dbraw/zinc/99/68/59/361996859.db2.gz UIIVBJSJNZJKCJ-UHFFFAOYSA-N 0 3 277.368 2.416 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)F ZINC000449284193 282171519 /nfs/dbraw/zinc/17/15/19/282171519.db2.gz OIFZFKHXJPOQRR-ONGXEEELSA-N 0 3 288.294 2.132 20 5 CEBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000126488431 187243001 /nfs/dbraw/zinc/24/30/01/187243001.db2.gz XSUQNDREGXOUIC-CYBMUJFWSA-N 0 3 250.298 2.109 20 5 CEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000027753816 343394342 /nfs/dbraw/zinc/39/43/42/343394342.db2.gz DKXZVDLRNJHGAO-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN CCN1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000029605845 343400582 /nfs/dbraw/zinc/40/05/82/343400582.db2.gz XLQSMTKLIKEPRP-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1CO ZINC000033394592 343417482 /nfs/dbraw/zinc/41/74/82/343417482.db2.gz HTLIFIOVEGAHAR-RJNRQISESA-N 0 3 262.309 2.065 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057159892 343625854 /nfs/dbraw/zinc/62/58/54/343625854.db2.gz GTXAPSWCLXHEGV-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000067701877 343742132 /nfs/dbraw/zinc/74/21/32/343742132.db2.gz UJZYHOVXUVXUAH-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCCC[C@@H]1C ZINC000048559513 362283734 /nfs/dbraw/zinc/28/37/34/362283734.db2.gz QEYYACHUZIGROW-QWRGUYRKSA-N 0 3 281.360 2.003 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000090909870 344146746 /nfs/dbraw/zinc/14/67/46/344146746.db2.gz MYMLENIVPMIGLD-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC(C)CC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602433956 347031596 /nfs/dbraw/zinc/03/15/96/347031596.db2.gz UZJJPAZTIITYFO-LBPRGKRZSA-N 0 3 265.313 2.297 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCC[C@@H](C)C2)n1 ZINC000121382657 344302548 /nfs/dbraw/zinc/30/25/48/344302548.db2.gz YEDOBNMGLROUKF-LLVKDONJSA-N 0 3 278.356 2.442 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCN(c2ccncc2)CC1 ZINC000161313285 344463791 /nfs/dbraw/zinc/46/37/91/344463791.db2.gz USMSMEZXWKSYCI-UHFFFAOYSA-N 0 3 298.346 2.312 20 5 CEBDHN C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1ccccc1[N+](=O)[O-] ZINC000602515986 347063537 /nfs/dbraw/zinc/06/35/37/347063537.db2.gz FSFYKAXZFJIAAV-AAEUAGOBSA-N 0 3 291.351 2.132 20 5 CEBDHN CCC[C@H](NC1COCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000314484973 344746024 /nfs/dbraw/zinc/74/60/24/344746024.db2.gz ICGTUQCTLMITEQ-HNNXBMFYSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@H](CCO)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555776 347075237 /nfs/dbraw/zinc/07/52/37/347075237.db2.gz IVKMNZMOCKRQTK-MRVPVSSYSA-N 0 3 292.257 2.474 20 5 CEBDHN C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577088 347085800 /nfs/dbraw/zinc/08/58/00/347085800.db2.gz RLAJSADLGFRQTF-VHSXEESVSA-N 0 3 291.307 2.393 20 5 CEBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000589879201 345104028 /nfs/dbraw/zinc/10/40/28/345104028.db2.gz GIVOZDUIXBMXAJ-LBPRGKRZSA-N 0 3 267.354 2.188 20 5 CEBDHN CN1C[C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590010790 345110004 /nfs/dbraw/zinc/11/00/04/345110004.db2.gz UJDYCTLZSJGCRE-OTYXRUKQSA-N 0 3 297.305 2.009 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591673128 345273075 /nfs/dbraw/zinc/27/30/75/345273075.db2.gz OOUWOWHMEGJGQW-ZWNOBZJWSA-N 0 3 291.351 2.078 20 5 CEBDHN C[C@H](CO)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000593084600 345436086 /nfs/dbraw/zinc/43/60/86/345436086.db2.gz SMRVWJCWOODWFU-GFCCVEGCSA-N 0 3 278.352 2.435 20 5 CEBDHN Cc1ccc(CN(C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593693771 345522512 /nfs/dbraw/zinc/52/25/12/345522512.db2.gz CUFYQFMANMNBHT-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126365422 232209379 /nfs/dbraw/zinc/20/93/79/232209379.db2.gz YGLUHRSVFGLKDR-CYBMUJFWSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1ccc(CN(C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594615720 345662662 /nfs/dbraw/zinc/66/26/62/345662662.db2.gz PPDOAWLZUBJZQA-NSHDSACASA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C\CO ZINC000595074883 345740133 /nfs/dbraw/zinc/74/01/33/345740133.db2.gz XKOHQMUJPACPKL-BYCRGOAPSA-N 0 3 250.298 2.102 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@H](O)C1)CCC2 ZINC000595101246 345741959 /nfs/dbraw/zinc/74/19/59/345741959.db2.gz CMYQHXHFAQWSEY-MPKXVKKWSA-N 0 3 262.309 2.085 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)CC2CC2)c(F)c1 ZINC000594983535 345721510 /nfs/dbraw/zinc/72/15/10/345721510.db2.gz OYEMNDSQFUPIMX-NSHDSACASA-N 0 3 282.315 2.232 20 5 CEBDHN CC[C@@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595020791 345729046 /nfs/dbraw/zinc/72/90/46/345729046.db2.gz NTDYMVLQEDZGJW-CMPLNLGQSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[C@@H](CO)C1 ZINC000595041482 345733671 /nfs/dbraw/zinc/73/36/71/345733671.db2.gz MBFUETFWQWOAAM-TUAOUCFPSA-N 0 3 294.351 2.415 20 5 CEBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](C)O ZINC000595041485 345733684 /nfs/dbraw/zinc/73/36/84/345733684.db2.gz MCWVZNRJPYGCAL-CWSCBRNRSA-N 0 3 282.340 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCO ZINC000595052459 345735259 /nfs/dbraw/zinc/73/52/59/345735259.db2.gz XIJOVTOISSDNHW-SNVBAGLBSA-N 0 3 268.313 2.027 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cn[nH]c1 ZINC000595051636 345735498 /nfs/dbraw/zinc/73/54/98/345735498.db2.gz QKWHROYFHWKKQE-JTQLQIEISA-N 0 3 290.323 2.220 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CO)C1CCC1 ZINC000595056178 345736167 /nfs/dbraw/zinc/73/61/67/345736167.db2.gz BVNKUSSSTAPPMQ-UONOGXRCSA-N 0 3 276.336 2.333 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)C1(CO)CC1 ZINC000595068073 345738535 /nfs/dbraw/zinc/73/85/35/345738535.db2.gz ODLMRXYGRYACGX-MNOVXSKESA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757458 345868253 /nfs/dbraw/zinc/86/82/53/345868253.db2.gz JLVXYLFQFWFNJD-OCCSQVGLSA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@]12COC[C@@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757098 345868639 /nfs/dbraw/zinc/86/86/39/345868639.db2.gz ZDRXFDOFGFUENM-JSGCOSHPSA-N 0 3 262.309 2.063 20 5 CEBDHN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595766504 345871424 /nfs/dbraw/zinc/87/14/24/345871424.db2.gz WXOOBNVUYUEXGA-CQSZACIVSA-N 0 3 291.351 2.336 20 5 CEBDHN C[C@H](NCCOCCF)c1ccc([N+](=O)[O-])cc1 ZINC000596052745 345929069 /nfs/dbraw/zinc/92/90/69/345929069.db2.gz WUPJXQRAJVGCQG-JTQLQIEISA-N 0 3 256.277 2.232 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H](N)C1 ZINC000595907382 345910970 /nfs/dbraw/zinc/91/09/70/345910970.db2.gz UASGYXVPKYSSMR-ZWKOPEQDSA-N 0 3 267.304 2.027 20 5 CEBDHN Cc1cc(NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])s1 ZINC000596112992 345942674 /nfs/dbraw/zinc/94/26/74/345942674.db2.gz YZBUAOFLIZVVMC-VIFPVBQESA-N 0 3 255.343 2.328 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000597232809 346156469 /nfs/dbraw/zinc/15/64/69/346156469.db2.gz XOXOTCPKHLYHCA-ZIAGYGMSSA-N 0 3 276.336 2.372 20 5 CEBDHN CN(CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000062010097 362702116 /nfs/dbraw/zinc/70/21/16/362702116.db2.gz MXGLHFPAZOWITI-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN C/C=C\C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599691947 346568599 /nfs/dbraw/zinc/56/85/99/346568599.db2.gz VEKQUKLTPJRIIQ-XQJDBVBESA-N 0 3 278.356 2.470 20 5 CEBDHN C/C=C\C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599690706 346568647 /nfs/dbraw/zinc/56/86/47/346568647.db2.gz PJZMUESAOFRQPD-XQJDBVBESA-N 0 3 278.356 2.470 20 5 CEBDHN CN1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185532 346780330 /nfs/dbraw/zinc/78/03/30/346780330.db2.gz WRNPQUOGEPGXFV-ZJUUUORDSA-N 0 3 267.354 2.044 20 5 CEBDHN CN1CC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184775 346779906 /nfs/dbraw/zinc/77/99/06/346779906.db2.gz NTQNKLVPFXPVDI-ZJUUUORDSA-N 0 3 296.758 2.031 20 5 CEBDHN Cn1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602677097 347139460 /nfs/dbraw/zinc/13/94/60/347139460.db2.gz SFPVURCCKPWICV-NEPJUHHUSA-N 0 3 278.356 2.339 20 5 CEBDHN C[C@H](NC[C@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804597 347206906 /nfs/dbraw/zinc/20/69/06/347206906.db2.gz KEEQNPHVVKBTRN-WDEREUQCSA-N 0 3 287.323 2.024 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)C(C)(C)C1 ZINC000602809229 347208414 /nfs/dbraw/zinc/20/84/14/347208414.db2.gz OWZHGCIWWUEMFV-LLVKDONJSA-N 0 3 280.372 2.468 20 5 CEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187317 347303393 /nfs/dbraw/zinc/30/33/93/347303393.db2.gz RHPMKPLHIZASGD-ZDUSSCGKSA-N 0 3 289.339 2.281 20 5 CEBDHN Cc1cc(NC[C@@H]2CSCCN2)c(F)cc1[N+](=O)[O-] ZINC000603419379 347365834 /nfs/dbraw/zinc/36/58/34/347365834.db2.gz NDFWHISWJVQIAR-SECBINFHSA-N 0 3 285.344 2.159 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CCC[C@@H]21 ZINC000610585253 347694440 /nfs/dbraw/zinc/69/44/40/347694440.db2.gz HNMKCNDODRXQJD-RYUDHWBXSA-N 0 3 262.309 2.458 20 5 CEBDHN CCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611091803 347738869 /nfs/dbraw/zinc/73/88/69/347738869.db2.gz RQFJPXDYPGRRKR-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612134769 347848308 /nfs/dbraw/zinc/84/83/08/347848308.db2.gz CRALIIMQZZFCIC-BQPHKTIFSA-N 0 3 276.336 2.359 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CCO)C1 ZINC000612577362 347903500 /nfs/dbraw/zinc/90/35/00/347903500.db2.gz AFFDJOALXOUSBY-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN CCOC(=O)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000351914628 219246528 /nfs/dbraw/zinc/24/65/28/219246528.db2.gz AWVSYPXXEYISPP-UHFFFAOYSA-N 0 3 278.308 2.028 20 5 CEBDHN CCN1CCC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000128905576 187397785 /nfs/dbraw/zinc/39/77/85/187397785.db2.gz ZPQSHFDCSUJLLS-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)[C@H](C)O ZINC000273396304 192136959 /nfs/dbraw/zinc/13/69/59/192136959.db2.gz KWKSDRINKRKKQJ-JTQLQIEISA-N 0 3 252.314 2.152 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000357388356 233060996 /nfs/dbraw/zinc/06/09/96/233060996.db2.gz INLBGAUYWZOBNU-NEPJUHHUSA-N 0 3 291.351 2.116 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCSC3(CCC3)CC2)n1 ZINC000411867018 233294261 /nfs/dbraw/zinc/29/42/61/233294261.db2.gz IIOFIDOQRQBJMQ-UHFFFAOYSA-N 0 3 296.396 2.153 20 5 CEBDHN C[C@H](N[C@@H](CO)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982700 233309570 /nfs/dbraw/zinc/30/95/70/233309570.db2.gz BOKSTGRSLAIVHC-LNSITVRQSA-N 0 3 294.351 2.033 20 5 CEBDHN CCc1nn(C)c(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000091561466 180191858 /nfs/dbraw/zinc/19/18/58/180191858.db2.gz HUVPCXJPYBIXSH-UHFFFAOYSA-N 0 3 295.387 2.179 20 5 CEBDHN CCN1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026867 180308829 /nfs/dbraw/zinc/30/88/29/180308829.db2.gz FFUVLTWJZVMMEU-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1cnn(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000105881388 186082764 /nfs/dbraw/zinc/08/27/64/186082764.db2.gz SLNLSSLBHMPMDZ-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN COC1CC(N(C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000352223580 219369324 /nfs/dbraw/zinc/36/93/24/219369324.db2.gz WRCQHQXBFMFENF-UHFFFAOYSA-N 0 3 280.324 2.083 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000110490164 186299414 /nfs/dbraw/zinc/29/94/14/186299414.db2.gz VYZUTRMEMPFTCZ-NEPJUHHUSA-N 0 3 295.314 2.009 20 5 CEBDHN Cc1ccnc(NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000070496035 363091560 /nfs/dbraw/zinc/09/15/60/363091560.db2.gz VMBOYKIMGHWELB-UHFFFAOYSA-N 0 3 278.356 2.442 20 5 CEBDHN CC(C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291936143 198110226 /nfs/dbraw/zinc/11/02/26/198110226.db2.gz TVXHLJYDMHBMID-HUUCEWRRSA-N 0 3 294.351 2.128 20 5 CEBDHN CSCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665173 363155882 /nfs/dbraw/zinc/15/58/82/363155882.db2.gz KOWDPKKDSUYSQL-LLVKDONJSA-N 0 3 296.396 2.229 20 5 CEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000451783547 283104071 /nfs/dbraw/zinc/10/40/71/283104071.db2.gz BUUWESLEOSVPMY-OLZOCXBDSA-N 0 3 292.335 2.416 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCn2ccnc2)C2CC2)cc1 ZINC000133777690 366254367 /nfs/dbraw/zinc/25/43/67/366254367.db2.gz VDDXFDCQRXKRPI-UHFFFAOYSA-N 0 3 286.335 2.456 20 5 CEBDHN CCN1CCC[C@H]1CNc1cccc(OC)c1[N+](=O)[O-] ZINC000134902875 366371472 /nfs/dbraw/zinc/37/14/72/366371472.db2.gz MVXPTXYPEMJIGX-NSHDSACASA-N 0 3 279.340 2.500 20 5 CEBDHN CC(C)[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465682 366443540 /nfs/dbraw/zinc/44/35/40/366443540.db2.gz PRSXVBCRTDROST-ZWNOBZJWSA-N 0 3 252.314 2.262 20 5 CEBDHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468458 366444466 /nfs/dbraw/zinc/44/44/66/366444466.db2.gz MQXBIYOUKNYPRW-DCAQKATOSA-N 0 3 252.314 2.262 20 5 CEBDHN CC(C)[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465097 366444494 /nfs/dbraw/zinc/44/44/94/366444494.db2.gz HGQXBSHOIWBKND-GWCFXTLKSA-N 0 3 252.314 2.262 20 5 CEBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCOC1 ZINC000177211066 189036798 /nfs/dbraw/zinc/03/67/98/189036798.db2.gz ZEHJYBVGRDNFMW-SNVBAGLBSA-N 0 3 291.307 2.204 20 5 CEBDHN COC(=O)[C@]1(C)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177447897 189051985 /nfs/dbraw/zinc/05/19/85/189051985.db2.gz ZFLOQYMSLCOMDA-OAHLLOKOSA-N 0 3 292.335 2.022 20 5 CEBDHN CC(C)OC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414394 189254103 /nfs/dbraw/zinc/25/41/03/189254103.db2.gz MVKFXZOLEDGEBX-RISCZKNCSA-N 0 3 282.340 2.031 20 5 CEBDHN COC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183246564 189351786 /nfs/dbraw/zinc/35/17/86/189351786.db2.gz ZOYHUBOAFLXPPS-ZDUSSCGKSA-N 0 3 292.335 2.288 20 5 CEBDHN C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000340164761 366786725 /nfs/dbraw/zinc/78/67/25/366786725.db2.gz SZUDIJVPXRXFEM-NWDGAFQWSA-N 0 3 278.356 2.087 20 5 CEBDHN COC[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000237163475 370695711 /nfs/dbraw/zinc/69/57/11/370695711.db2.gz BSKXCIPYPGRINR-OKPNEXGHSA-N 0 3 250.298 2.233 20 5 CEBDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019428925 361534338 /nfs/dbraw/zinc/53/43/38/361534338.db2.gz HJPUPYWYQCWJNP-PRHODGIISA-N 0 3 265.313 2.215 20 5 CEBDHN Cc1cc(NCCN(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000301987163 201288492 /nfs/dbraw/zinc/28/84/92/201288492.db2.gz DHLYUJJRRNDBJQ-UHFFFAOYSA-N 0 3 274.324 2.425 20 5 CEBDHN CCn1cncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000090172681 364044951 /nfs/dbraw/zinc/04/49/51/364044951.db2.gz RDJDEFJDRCSLJH-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000094797834 364296917 /nfs/dbraw/zinc/29/69/17/364296917.db2.gz SRYAVFODJRJJIF-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN Cc1c(C(=O)N(C)CCN2CCCC2)cccc1[N+](=O)[O-] ZINC000103120032 364629088 /nfs/dbraw/zinc/62/90/88/364629088.db2.gz AKBYEJMVIPEJJI-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN Cc1ccc(C(=O)N(C)CCN2CCCC2)cc1[N+](=O)[O-] ZINC000103120344 364629272 /nfs/dbraw/zinc/62/92/72/364629272.db2.gz HQFLNYMIJPEKBO-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN CS[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000275417579 193029097 /nfs/dbraw/zinc/02/90/97/193029097.db2.gz HEEVZSWMEAEYHM-QWHCGFSZSA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@]1(NC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000120171411 365382969 /nfs/dbraw/zinc/38/29/69/365382969.db2.gz LAEAXPJJSZBCAX-YVZNUBBCSA-N 0 3 262.309 2.377 20 5 CEBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000348178329 368936401 /nfs/dbraw/zinc/93/64/01/368936401.db2.gz BOBUIGAZIJPFSO-GFCCVEGCSA-N 0 3 293.342 2.402 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000186772861 369039139 /nfs/dbraw/zinc/03/91/39/369039139.db2.gz ATVMGLTXKBMFMN-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000348545896 369081087 /nfs/dbraw/zinc/08/10/87/369081087.db2.gz LMHLCOLXCYLMRK-ZDUSSCGKSA-N 0 3 277.368 2.429 20 5 CEBDHN CC(C)OCC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883644 369437413 /nfs/dbraw/zinc/43/74/13/369437413.db2.gz OTGQSYCVSLVQOI-CHWSQXEVSA-N 0 3 296.367 2.421 20 5 CEBDHN CC(C)OCC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896432 369443218 /nfs/dbraw/zinc/44/32/18/369443218.db2.gz QWTCYUWHDREADM-DOMZBBRYSA-N 0 3 296.367 2.421 20 5 CEBDHN Cc1ccc(CN(CCO)C(C)C)cc1[N+](=O)[O-] ZINC000350074109 369497979 /nfs/dbraw/zinc/49/79/79/369497979.db2.gz KFUXDPVRIGFRDE-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C(C)(C)C ZINC000193098444 369891918 /nfs/dbraw/zinc/89/19/18/369891918.db2.gz XWAQSFYIFFUWKH-CYBMUJFWSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1c(CN[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000231351228 370477552 /nfs/dbraw/zinc/47/75/52/370477552.db2.gz JSIAZZIYMHPDJD-LLVKDONJSA-N 0 3 252.339 2.498 20 5 CEBDHN COc1ccc(CN[C@@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000230688417 370464981 /nfs/dbraw/zinc/46/49/81/370464981.db2.gz NOJVFSCARLRSFA-LBPRGKRZSA-N 0 3 282.340 2.100 20 5 CEBDHN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc[nH]n3)C2)cs1 ZINC000331850397 204230930 /nfs/dbraw/zinc/23/09/30/204230930.db2.gz QQQQCYKVHMLAKT-JTQLQIEISA-N 0 3 293.352 2.154 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN2CCC[C@H]2C1 ZINC000250752455 371390655 /nfs/dbraw/zinc/39/06/55/371390655.db2.gz DXDSYVGOVQEGEN-ZDUSSCGKSA-N 0 3 289.335 2.082 20 5 CEBDHN CCc1nn(C)c(NC[C@@H](CC)N2CCCC2)c1[N+](=O)[O-] ZINC000360965479 371566719 /nfs/dbraw/zinc/56/67/19/371566719.db2.gz GJUZEKIWTXMZBW-LLVKDONJSA-N 0 3 295.387 2.177 20 5 CEBDHN CCN(CC)CCSc1ccncc1[N+](=O)[O-] ZINC000361001484 371590878 /nfs/dbraw/zinc/59/08/78/371590878.db2.gz GZPRIOGOJOXFBO-UHFFFAOYSA-N 0 3 255.343 2.424 20 5 CEBDHN CC(C)OC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000337335960 214014422 /nfs/dbraw/zinc/01/44/22/214014422.db2.gz LVMXLDISBZLMJF-LLVKDONJSA-N 0 3 252.314 2.498 20 5 CEBDHN C[C@H]1C[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000344133536 217066793 /nfs/dbraw/zinc/06/67/93/217066793.db2.gz QDFAAUVYNMPOOA-WCQYABFASA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1ccnc(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000265158657 372015557 /nfs/dbraw/zinc/01/55/57/372015557.db2.gz DIOMNHFBZATAJK-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN C[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000344390654 217178564 /nfs/dbraw/zinc/17/85/64/217178564.db2.gz XKYNFKGAWPGXCF-ZDUSSCGKSA-N 0 3 250.298 2.111 20 5 CEBDHN COc1ccc(CN(C)[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000269653554 372521141 /nfs/dbraw/zinc/52/11/41/372521141.db2.gz MVQRFLHNCLWTBH-AWEZNQCLSA-N 0 3 296.367 2.442 20 5 CEBDHN C[C@H](O)C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775642 372562686 /nfs/dbraw/zinc/56/26/86/372562686.db2.gz DIPIRQVDAOQHRM-GXTWGEPZSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@@H](NC[C@@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513983 220130280 /nfs/dbraw/zinc/13/02/80/220130280.db2.gz SVQNJZSASNGIKU-MFKMUULPSA-N 0 3 264.325 2.264 20 5 CEBDHN CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270949241 373029611 /nfs/dbraw/zinc/02/96/11/373029611.db2.gz SOMTVJQHFHTTLL-WDMOLILDSA-N 0 3 264.325 2.359 20 5 CEBDHN CC(C)N(C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271036847 373084583 /nfs/dbraw/zinc/08/45/83/373084583.db2.gz LINCXLTUJZFWLB-FNORWQNLSA-N 0 3 264.325 2.311 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000271071893 373103301 /nfs/dbraw/zinc/10/33/01/373103301.db2.gz FNHNITYQRKIHES-UWVGGRQHSA-N 0 3 268.313 2.025 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC(=O)N(C)C ZINC000344849221 217332191 /nfs/dbraw/zinc/33/21/91/217332191.db2.gz HVMYVVFWPJIIPM-FMIVXFBMSA-N 0 3 291.351 2.066 20 5 CEBDHN COC(=O)C1(CN[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275067656 374143552 /nfs/dbraw/zinc/14/35/52/374143552.db2.gz GKVQKOQBNDBVBZ-JTQLQIEISA-N 0 3 278.308 2.199 20 5 CEBDHN CCOc1cc(CN2CC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276856135 374327493 /nfs/dbraw/zinc/32/74/93/374327493.db2.gz FRLYINIGOONSKN-SMDDNHRTSA-N 0 3 294.351 2.196 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCCC3(CCC3)C2)n1 ZINC000373431403 374351527 /nfs/dbraw/zinc/35/15/27/374351527.db2.gz LGIJZNNVSDSCPN-UHFFFAOYSA-N 0 3 264.329 2.057 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCCN2C2CC2)nc1 ZINC000277459638 374528424 /nfs/dbraw/zinc/52/84/24/374528424.db2.gz OXACUGXJVUDISF-GFCCVEGCSA-N 0 3 276.340 2.419 20 5 CEBDHN CC[C@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368190 374850279 /nfs/dbraw/zinc/85/02/79/374850279.db2.gz WYTSLLXAKUIPKO-GWCFXTLKSA-N 0 3 291.351 2.362 20 5 CEBDHN C[C@@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279997785 375057315 /nfs/dbraw/zinc/05/73/15/375057315.db2.gz JETGYIFKALFPSQ-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385858000 375246122 /nfs/dbraw/zinc/24/61/22/375246122.db2.gz YYWYMAVNIBPZCA-RISCZKNCSA-N 0 3 294.351 2.196 20 5 CEBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000282244275 375437119 /nfs/dbraw/zinc/43/71/19/375437119.db2.gz QMCNGRFYYRHZKL-CYBMUJFWSA-N 0 3 290.367 2.242 20 5 CEBDHN COC(=O)[C@]1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282959564 375623308 /nfs/dbraw/zinc/62/33/08/375623308.db2.gz ZOZGDXIHIQNRHT-IAQYHMDHSA-N 0 3 292.335 2.226 20 5 CEBDHN CC[C@@H](COC)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863634 375772713 /nfs/dbraw/zinc/77/27/13/375772713.db2.gz BPTNZEIWEUAQRH-KOLCDFICSA-N 0 3 267.329 2.253 20 5 CEBDHN CC[C@H](C)[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162572 375820190 /nfs/dbraw/zinc/82/01/90/375820190.db2.gz PWWSYMJRWZXFDH-BHDSKKPTSA-N 0 3 281.356 2.235 20 5 CEBDHN CO[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)C ZINC000283995716 375793093 /nfs/dbraw/zinc/79/30/93/375793093.db2.gz HOJOBAKNBKXYAN-QMTHXVAHSA-N 0 3 281.356 2.499 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000414577679 375866963 /nfs/dbraw/zinc/86/69/63/375866963.db2.gz OZEFFZJPJNPQKJ-JQWIXIFHSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCNC[C@](C)(F)C1 ZINC000414777867 375963183 /nfs/dbraw/zinc/96/31/83/375963183.db2.gz OZVPLADZNHJEMU-AWEZNQCLSA-N 0 3 281.331 2.037 20 5 CEBDHN COC(=O)CCCCCNCc1csc([N+](=O)[O-])c1 ZINC000289769084 376490718 /nfs/dbraw/zinc/49/07/18/376490718.db2.gz KKQWKZLTLCBTIV-UHFFFAOYSA-N 0 3 286.353 2.479 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cn[nH]c1 ZINC000289883386 376543063 /nfs/dbraw/zinc/54/30/63/376543063.db2.gz PUVUDRJVNIJIDN-UHFFFAOYSA-N 0 3 290.323 2.049 20 5 CEBDHN Cc1cc(N2CCNCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420130959 376578113 /nfs/dbraw/zinc/57/81/13/376578113.db2.gz WUJVAVOMLUWKQR-UHFFFAOYSA-N 0 3 289.257 2.332 20 5 CEBDHN Cc1cc(N[C@H](C)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000311109333 376651650 /nfs/dbraw/zinc/65/16/50/376651650.db2.gz DXISGDGAAIZYBT-SECBINFHSA-N 0 3 255.293 2.404 20 5 CEBDHN CC1(C)COC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000313105839 376737880 /nfs/dbraw/zinc/73/78/80/376737880.db2.gz ZHSRVGZAQOMRCK-LBPRGKRZSA-N 0 3 250.298 2.109 20 5 CEBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292781174 377279429 /nfs/dbraw/zinc/27/94/29/377279429.db2.gz LKBRJUIJLQUBDQ-WAFBPQNNSA-N 0 3 264.325 2.311 20 5 CEBDHN CCC[C@@H](C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC000292828944 377302589 /nfs/dbraw/zinc/30/25/89/377302589.db2.gz XQHHDVOXIREPJC-GFCCVEGCSA-N 0 3 293.367 2.237 20 5 CEBDHN Cc1c(CN2CCC[C@@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000293290121 377507222 /nfs/dbraw/zinc/50/72/22/377507222.db2.gz VWOLZQQAGSMYML-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN Cc1c(CN2CCC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000293290126 377507881 /nfs/dbraw/zinc/50/78/81/377507881.db2.gz VWOLZQQAGSMYML-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CCn3ccnc32)cc1 ZINC000293880313 377803370 /nfs/dbraw/zinc/80/33/70/377803370.db2.gz FOPNMZNOUPIDKI-ZDUSSCGKSA-N 0 3 272.308 2.068 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCN1CCC1)CCC2 ZINC000447588245 378122738 /nfs/dbraw/zinc/12/27/38/378122738.db2.gz TVGCFVMAHSPVBY-OAHLLOKOSA-N 0 3 275.352 2.268 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000296090245 378415103 /nfs/dbraw/zinc/41/51/03/378415103.db2.gz XZGUTXNORIATKB-ZMLRMANQSA-N 0 3 280.324 2.167 20 5 CEBDHN CC1(C)CCCN1CCNc1ncccc1[N+](=O)[O-] ZINC000450949897 378658469 /nfs/dbraw/zinc/65/84/69/378658469.db2.gz LJXFDVOSOLPCTJ-UHFFFAOYSA-N 0 3 264.329 2.276 20 5 CEBDHN COCC(COC)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453366043 378876240 /nfs/dbraw/zinc/87/62/40/378876240.db2.gz WVQMLHZSSNNMMS-HNNXBMFYSA-N 0 3 294.351 2.223 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CC=CC3)C2)c(Cl)c1 ZINC000266284585 190245893 /nfs/dbraw/zinc/24/58/93/190245893.db2.gz VEITXDCLTNCWCU-SNVBAGLBSA-N 0 3 294.742 2.094 20 5 CEBDHN CC[C@H]1CCCCN1CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000301246953 379232023 /nfs/dbraw/zinc/23/20/23/379232023.db2.gz HYICIBMRYMPMGO-LBPRGKRZSA-N 0 3 295.387 2.313 20 5 CEBDHN Cc1nn(C)c(N[C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301282074 379244853 /nfs/dbraw/zinc/24/48/53/379244853.db2.gz MYQJDRAVKPVLIO-GHMZBOCLSA-N 0 3 295.387 2.169 20 5 CEBDHN CN(CCCc1cncn1C)Cc1ccccc1[N+](=O)[O-] ZINC000518558253 379392165 /nfs/dbraw/zinc/39/21/65/379392165.db2.gz JQGUDNRNFAGEOD-UHFFFAOYSA-N 0 3 288.351 2.393 20 5 CEBDHN CSC[C@H](CCO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521643479 379539286 /nfs/dbraw/zinc/53/92/86/379539286.db2.gz FYDQUSOHHHPVAR-GXFFZTMASA-N 0 3 296.392 2.286 20 5 CEBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489415889 380187793 /nfs/dbraw/zinc/18/77/93/380187793.db2.gz RTWFWDPBRSOPOP-RISCZKNCSA-N 0 3 294.351 2.065 20 5 CEBDHN Cc1c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334041735 380219604 /nfs/dbraw/zinc/21/96/04/380219604.db2.gz AJYBRQOLINDZHM-PWSUYJOCSA-N 0 3 291.351 2.116 20 5 CEBDHN CC1(C)CC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000551532847 380647359 /nfs/dbraw/zinc/64/73/59/380647359.db2.gz HDAWJOLKUMJFLT-GFCCVEGCSA-N 0 3 277.324 2.312 20 5 CEBDHN CC[C@@H](COC)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863640 195932836 /nfs/dbraw/zinc/93/28/36/195932836.db2.gz BPTNZEIWEUAQRH-ONGXEEELSA-N 0 3 267.329 2.253 20 5 CEBDHN CC(C)N1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413046503 394474161 /nfs/dbraw/zinc/47/41/61/394474161.db2.gz ZXMFTXDTIWJJMY-UHFFFAOYSA-N 0 3 282.319 2.414 20 5 CEBDHN C[C@@H]1CC[C@@H](NCc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000331101066 394627374 /nfs/dbraw/zinc/62/73/74/394627374.db2.gz DDEKEQPQZKGUMG-GMTAPVOTSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356873963 394639127 /nfs/dbraw/zinc/63/91/27/394639127.db2.gz LFTIOUIIMHWLKC-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CN(C)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737021 394639227 /nfs/dbraw/zinc/63/92/27/394639227.db2.gz VYIHLTHPMYDHST-AWEZNQCLSA-N 0 3 263.341 2.123 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000268963735 394704810 /nfs/dbraw/zinc/70/48/10/394704810.db2.gz WQOHHDSAEWTKRV-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN Cc1c([C@@H](C)N[C@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063288 394710799 /nfs/dbraw/zinc/71/07/99/394710799.db2.gz YHXGIXYOARTHSS-ZYHUDNBSSA-N 0 3 289.339 2.234 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(C)[C@H]1C ZINC000359560771 394761629 /nfs/dbraw/zinc/76/16/29/394761629.db2.gz ACMFMPMANFBFFW-QWRGUYRKSA-N 0 3 281.360 2.014 20 5 CEBDHN C[C@@H](Nc1ncccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273040899 394780856 /nfs/dbraw/zinc/78/08/56/394780856.db2.gz WDHHPPOSBCLKIZ-SNVBAGLBSA-N 0 3 262.313 2.052 20 5 CEBDHN C[C@@H](C1CCN(C)CC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000281917581 394875257 /nfs/dbraw/zinc/87/52/57/394875257.db2.gz NTRQDNSYBUCNDT-VIFPVBQESA-N 0 3 284.385 2.218 20 5 CEBDHN Nc1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000285972095 394993227 /nfs/dbraw/zinc/99/32/27/394993227.db2.gz BEOCJMKSANZZDX-UHFFFAOYSA-N 0 3 264.329 2.075 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@]2(CCOC2)C1 ZINC000153732266 395016972 /nfs/dbraw/zinc/01/69/72/395016972.db2.gz YLZXDYJSRWDWAI-AWEZNQCLSA-N 0 3 262.309 2.207 20 5 CEBDHN CCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584472 395063539 /nfs/dbraw/zinc/06/35/39/395063539.db2.gz LJHVISYVEJDGSR-LLVKDONJSA-N 0 3 252.318 2.228 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000156766964 395033119 /nfs/dbraw/zinc/03/31/19/395033119.db2.gz IFHYWELQZLALQW-UHFFFAOYSA-N 0 3 279.340 2.007 20 5 CEBDHN C[C@H]1[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCCN1C ZINC000436360615 395111820 /nfs/dbraw/zinc/11/18/20/395111820.db2.gz NGWIGNOAKWAYSS-CMPLNLGQSA-N 0 3 290.367 2.457 20 5 CEBDHN CN(C)C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000397818089 395225537 /nfs/dbraw/zinc/22/55/37/395225537.db2.gz CWPXDOMMIBAQLS-UHFFFAOYSA-N 0 3 271.267 2.379 20 5 CEBDHN CN(C)C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000419011107 395246428 /nfs/dbraw/zinc/24/64/28/395246428.db2.gz RSCHAXWRHZWKEX-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN Cc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000396604198 395217190 /nfs/dbraw/zinc/21/71/90/395217190.db2.gz CEJYYSTWROZTKE-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000192128726 395373617 /nfs/dbraw/zinc/37/36/17/395373617.db2.gz HXWHBSGUUOPJIR-JQWIXIFHSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C)CC[C@H]2C)c1 ZINC000447046834 395504471 /nfs/dbraw/zinc/50/44/71/395504471.db2.gz IUWPWOBNUPRJSA-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN CC[C@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000568710199 395566928 /nfs/dbraw/zinc/56/69/28/395566928.db2.gz ZVJRWQIQUUZEAG-AWEZNQCLSA-N 0 3 277.368 2.163 20 5 CEBDHN CCN1CCC[C@@H]1CNc1c(OC)cccc1[N+](=O)[O-] ZINC000574652454 395634635 /nfs/dbraw/zinc/63/46/35/395634635.db2.gz YWWJLOJHGRZOOV-LLVKDONJSA-N 0 3 279.340 2.500 20 5 CEBDHN CC[C@@H](NC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468694 153322469 /nfs/dbraw/zinc/32/24/69/153322469.db2.gz ATYJMTWGPCOYNE-GHMZBOCLSA-N 0 3 274.267 2.262 20 5 CEBDHN CC(C)C(=O)NCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020125481 171008344 /nfs/dbraw/zinc/00/83/44/171008344.db2.gz VCLGASFUFZBDMR-NSHDSACASA-N 0 3 279.340 2.018 20 5 CEBDHN C[C@@H](N[C@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949774 196163261 /nfs/dbraw/zinc/16/32/61/196163261.db2.gz FCVSKAJIJKUKFY-SCZZXKLOSA-N 0 3 267.354 2.333 20 5 CEBDHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338441 196254654 /nfs/dbraw/zinc/25/46/54/196254654.db2.gz URMGKHKYQXZCMA-LPEHRKFASA-N 0 3 267.329 2.251 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCOC1 ZINC000038046020 174054587 /nfs/dbraw/zinc/05/45/87/174054587.db2.gz VBMAKWAYHDVHES-NSHDSACASA-N 0 3 280.324 2.120 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000040676166 174373647 /nfs/dbraw/zinc/37/36/47/174373647.db2.gz KXIRTZPRFVGVDW-LLVKDONJSA-N 0 3 293.367 2.030 20 5 CEBDHN CCCNC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045072501 175302149 /nfs/dbraw/zinc/30/21/49/175302149.db2.gz DSTKSLAFMMFCDE-LLVKDONJSA-N 0 3 279.340 2.162 20 5 CEBDHN CN(CCN1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000103175723 261276317 /nfs/dbraw/zinc/27/63/17/261276317.db2.gz JQEGZJZGRACOPY-UHFFFAOYSA-N 0 3 292.339 2.154 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453390534 263261163 /nfs/dbraw/zinc/26/11/63/263261163.db2.gz YFICBOOAFUGZMZ-ONGXEEELSA-N 0 3 279.340 2.078 20 5 CEBDHN CC(C)C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000193482656 270285788 /nfs/dbraw/zinc/28/57/88/270285788.db2.gz GLSNALSJSKSMDS-NSHDSACASA-N 0 3 299.396 2.362 20 5 CEBDHN C[C@H](NC[C@H](O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000316487619 270334164 /nfs/dbraw/zinc/33/41/64/270334164.db2.gz VEAINISZIVDHJV-HZMBPMFUSA-N 0 3 264.325 2.406 20 5 CEBDHN COc1cc(NCC2(N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000398009765 270356265 /nfs/dbraw/zinc/35/62/65/270356265.db2.gz XQDNYEOYUOBGTR-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN C[C@@H](CCCCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000398646355 270360309 /nfs/dbraw/zinc/36/03/09/270360309.db2.gz ZWVPALPFRWKVJZ-JTQLQIEISA-N 0 3 270.304 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H]3CCSC3)nc2c1 ZINC000425996441 271195375 /nfs/dbraw/zinc/19/53/75/271195375.db2.gz PYNOEOPJAMCQIR-VIFPVBQESA-N 0 3 292.364 2.314 20 5 CEBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000429292467 271320078 /nfs/dbraw/zinc/32/00/78/271320078.db2.gz XJAXRPRZUAQUCR-NWDGAFQWSA-N 0 3 296.371 2.012 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000413157184 274395079 /nfs/dbraw/zinc/39/50/79/274395079.db2.gz GWOISAKLKJOJHZ-BDAKNGLRSA-N 0 3 268.292 2.024 20 5 CEBDHN Cc1c(NC(=O)C23CCCN2CCC3)cccc1[N+](=O)[O-] ZINC000365991785 274664062 /nfs/dbraw/zinc/66/40/62/274664062.db2.gz WGGDJWOBZHLDQO-UHFFFAOYSA-N 0 3 289.335 2.470 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCOC1)CCC2 ZINC000193045485 275038054 /nfs/dbraw/zinc/03/80/54/275038054.db2.gz HYHSZIYAOMVNDU-FZMZJTMJSA-N 0 3 262.309 2.351 20 5 CEBDHN CN1CCN(Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000271058562 277109455 /nfs/dbraw/zinc/10/94/55/277109455.db2.gz RXKOKQSSOWZSLD-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375050739 277147396 /nfs/dbraw/zinc/14/73/96/277147396.db2.gz SKHCZFRBIVHJFD-BXKDBHETSA-N 0 3 296.758 2.174 20 5 CEBDHN C[C@@H]1CSC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000286151898 278870382 /nfs/dbraw/zinc/87/03/82/278870382.db2.gz VYENUSSLCVQHFN-SKDRFNHKSA-N 0 3 252.339 2.436 20 5 CEBDHN C[C@H](NCCc1cncn1C)c1ccc([N+](=O)[O-])cc1 ZINC000298178165 279472945 /nfs/dbraw/zinc/47/29/45/279472945.db2.gz VDRPBGHFKQRNPW-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000086697447 279696076 /nfs/dbraw/zinc/69/60/76/279696076.db2.gz PRYXSPUNXSDCJY-CYBMUJFWSA-N 0 3 252.314 2.355 20 5 CEBDHN CCCNC(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129928902 279925232 /nfs/dbraw/zinc/92/52/32/279925232.db2.gz QWZVLULWCODUNC-GFCCVEGCSA-N 0 3 293.367 2.470 20 5 CEBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000184648482 280119428 /nfs/dbraw/zinc/11/94/28/280119428.db2.gz UJCZKHXATQUNGA-SNVBAGLBSA-N 0 3 291.351 2.362 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000408169815 280399229 /nfs/dbraw/zinc/39/92/29/280399229.db2.gz AYNFEBOJONWQDH-OLZOCXBDSA-N 0 3 290.367 2.280 20 5 CEBDHN CN(C)C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000397990699 280689142 /nfs/dbraw/zinc/68/91/42/280689142.db2.gz OAVHQADAQVMADZ-UHFFFAOYSA-N 0 3 293.352 2.106 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](CO)C1 ZINC000272285830 281021226 /nfs/dbraw/zinc/02/12/26/281021226.db2.gz GBYIJKSYMFOOKQ-NWDGAFQWSA-N 0 3 264.325 2.278 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424327291 281149280 /nfs/dbraw/zinc/14/92/80/281149280.db2.gz ZZRSXMIQMQBVRW-IRUJWGPZSA-N 0 3 250.298 2.077 20 5 CEBDHN C[C@H](N[C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462440 281239042 /nfs/dbraw/zinc/23/90/42/281239042.db2.gz BGRHWAZNKFLRSZ-WCBMZHEXSA-N 0 3 274.267 2.262 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CCC[C@H]1CCO ZINC000429762421 281253045 /nfs/dbraw/zinc/25/30/45/281253045.db2.gz PUBLHPWGQAEREC-GXFFZTMASA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC(=O)N(C)C1 ZINC000152423231 289088345 /nfs/dbraw/zinc/08/83/45/289088345.db2.gz YSXALAOEWZAABV-NWDGAFQWSA-N 0 3 291.351 2.175 20 5 CEBDHN Nc1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000287456016 295354084 /nfs/dbraw/zinc/35/40/84/295354084.db2.gz RVYVJOTXHPEDQV-CYBMUJFWSA-N 0 3 290.367 2.242 20 5 CEBDHN C[C@@H](NCCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000531967890 298127185 /nfs/dbraw/zinc/12/71/85/298127185.db2.gz GZHPAYRGTKVRCO-IUODEOHRSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@@H]1CCN(CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000539704076 298252196 /nfs/dbraw/zinc/25/21/96/298252196.db2.gz HWDOKHCCOPHORK-GFCCVEGCSA-N 0 3 263.341 2.026 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CCC(C)C ZINC000571994197 314115936 /nfs/dbraw/zinc/11/59/36/314115936.db2.gz MEXNKMWSMVRTEV-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN CN(CCNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CC1 ZINC000577487817 314382308 /nfs/dbraw/zinc/38/23/08/314382308.db2.gz JRZKKTWWUGAMDY-UHFFFAOYSA-N 0 3 290.367 2.375 20 5 CEBDHN CC[C@H](N[C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280480 522690959 /nfs/dbraw/zinc/69/09/59/522690959.db2.gz QWWYPBBVKYGGTC-JXBWDGJFSA-N 0 3 284.381 2.403 20 5 CEBDHN COCCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443345 523376993 /nfs/dbraw/zinc/37/69/93/523376993.db2.gz QVYWNFWQCZEOJA-UHFFFAOYSA-N 0 3 258.705 2.374 20 5 CEBDHN Cc1cc(C(=O)NCCN2CCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000744345081 575119538 /nfs/dbraw/zinc/11/95/38/575119538.db2.gz JESFTLFTDZSTGD-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CC(C)=C[C@@H]1[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813103095 623019192 /nfs/dbraw/zinc/01/91/92/623019192.db2.gz NOGQAMIDZFIFBV-AXFHLTTASA-N 0 3 255.314 2.433 20 5 CEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C(C)(C)C ZINC000813104430 623021812 /nfs/dbraw/zinc/02/18/12/623021812.db2.gz CNYWQLSGJIKMIK-SECBINFHSA-N 0 3 283.328 2.023 20 5 CEBDHN Cc1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107730 623035194 /nfs/dbraw/zinc/03/51/94/623035194.db2.gz VDNUHTJNCFBTJD-LLVKDONJSA-N 0 3 251.282 2.136 20 5 CEBDHN Cc1ccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114170 623069212 /nfs/dbraw/zinc/06/92/12/623069212.db2.gz ZOENYSNCYPQBLG-NSHDSACASA-N 0 3 265.309 2.481 20 5 CEBDHN CO[C@@H]1CC[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126061 624248444 /nfs/dbraw/zinc/24/84/44/624248444.db2.gz SORFWEGBQYSDJU-CHWSQXEVSA-N 0 3 250.298 2.204 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccsc2)cc1 ZINC000219104497 624940215 /nfs/dbraw/zinc/94/02/15/624940215.db2.gz GCEQUOQRWAMDER-CYBMUJFWSA-N 0 3 278.333 2.480 20 5 CEBDHN CCOCCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892621817 627318473 /nfs/dbraw/zinc/31/84/73/627318473.db2.gz GDOAABBHSDOPRC-UHFFFAOYSA-N 0 3 298.339 2.215 20 5 CEBDHN CC(=O)OC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000894657707 629577413 /nfs/dbraw/zinc/57/74/13/629577413.db2.gz NEVCWRJADWJKSE-ZJUUUORDSA-N 0 3 266.297 2.197 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928430739 629588460 /nfs/dbraw/zinc/58/84/60/629588460.db2.gz ITYGFTZWIIJFKB-YPMHNXCESA-N 0 3 291.351 2.034 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[C@]2(O)C1 ZINC000895652929 630294555 /nfs/dbraw/zinc/29/45/55/630294555.db2.gz KCDMSWXYUHIYHN-QPAPFBILSA-N 0 3 274.320 2.065 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2C[C@H](SC)C2)c1[N+](=O)[O-] ZINC000895778444 630342336 /nfs/dbraw/zinc/34/23/36/630342336.db2.gz YIKRLXDFEXJOQY-MGCOHNPYSA-N 0 3 298.364 2.293 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@H](SC)C2)c1[N+](=O)[O-] ZINC000895778444 630342340 /nfs/dbraw/zinc/34/23/40/630342340.db2.gz YIKRLXDFEXJOQY-MGCOHNPYSA-N 0 3 298.364 2.293 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC(C)(C)C1 ZINC000897249439 631016192 /nfs/dbraw/zinc/01/61/92/631016192.db2.gz UWXZLYZUBJLTCV-UHFFFAOYSA-N 0 3 295.387 2.263 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCC(C)(C)C1 ZINC000897249123 631016568 /nfs/dbraw/zinc/01/65/68/631016568.db2.gz MPUVDWFKAXCCOP-UHFFFAOYSA-N 0 3 295.387 2.263 20 5 CEBDHN CC(COC(=O)c1cnc(-c2cccnc2)s1)[N+](=O)[O-] ZINC000813101837 632620907 /nfs/dbraw/zinc/62/09/07/632620907.db2.gz JUXPFWTVIAQPDG-QMMMGPOBSA-N 0 3 293.304 2.027 20 5 CEBDHN CC(COC(=O)C1(c2ccc(F)cc2)CC1)[N+](=O)[O-] ZINC000813104720 632622486 /nfs/dbraw/zinc/62/24/86/632622486.db2.gz QOBCWPHYJDJPBJ-VIFPVBQESA-N 0 3 267.256 2.066 20 5 CEBDHN CC(COC(=O)c1cc2occc2s1)[N+](=O)[O-] ZINC000813104391 632623042 /nfs/dbraw/zinc/62/30/42/632623042.db2.gz ZUXYMRMPXCPPRR-LURJTMIESA-N 0 3 255.251 2.316 20 5 CEBDHN CC[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105452 632623542 /nfs/dbraw/zinc/62/35/42/632623542.db2.gz ZNLNATVVZJVPHG-DGCLKSJQSA-N 0 3 265.309 2.464 20 5 CEBDHN CC[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105454 632623950 /nfs/dbraw/zinc/62/39/50/632623950.db2.gz ZNLNATVVZJVPHG-WCQYABFASA-N 0 3 265.309 2.464 20 5 CEBDHN CC(COC(=O)C1CC(OCc2ccccc2)C1)[N+](=O)[O-] ZINC000813108733 632625941 /nfs/dbraw/zinc/62/59/41/632625941.db2.gz AEXIRXCMIIPSNR-LMWSTFAQSA-N 0 3 293.319 2.190 20 5 CEBDHN CC(C)c1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813108727 632625999 /nfs/dbraw/zinc/62/59/99/632625999.db2.gz LFBGEFKNKFMXKF-SSDOTTSWSA-N 0 3 258.299 2.089 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[N+](=O)[O-] ZINC000813109912 632626578 /nfs/dbraw/zinc/62/65/78/632626578.db2.gz XLCJMYZUOUKFEB-SZEHBUNVSA-N 0 3 285.246 2.277 20 5 CEBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813114892 632629064 /nfs/dbraw/zinc/62/90/64/632629064.db2.gz ILYPUSWOCGCNEQ-LBPRGKRZSA-N 0 3 265.309 2.444 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128500 634983937 /nfs/dbraw/zinc/98/39/37/634983937.db2.gz ZSTFNICZSNQABW-ONGXEEELSA-N 0 3 266.297 2.043 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H]2C2CC2)c1 ZINC000834383632 637807426 /nfs/dbraw/zinc/80/74/26/637807426.db2.gz UZYAXJWCZMVARS-KGLIPLIRSA-N 0 3 262.309 2.113 20 5 CEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000910296784 638000676 /nfs/dbraw/zinc/00/06/76/638000676.db2.gz QPGTYEJRHRKVIB-GFCCVEGCSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000835062037 638044497 /nfs/dbraw/zinc/04/44/97/638044497.db2.gz XOPPZOLJAOBLLK-ZDUSSCGKSA-N 0 3 297.742 2.007 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C2CC2)n1 ZINC000835457018 638263799 /nfs/dbraw/zinc/26/37/99/638263799.db2.gz WAKDBHWGCNAUGW-SECBINFHSA-N 0 3 264.281 2.089 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCC[C@H]1CO ZINC000230680859 639778436 /nfs/dbraw/zinc/77/84/36/639778436.db2.gz JMHNEBMQMQMYGR-CABZTGNLSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(C)(CCc1noc([C@H]2CC[C@@H](C3CC3)N2)n1)[N+](=O)[O-] ZINC000844920568 640866444 /nfs/dbraw/zinc/86/64/44/640866444.db2.gz SUFARSNDQOLBBC-WDEREUQCSA-N 0 3 294.355 2.261 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN2CCCCC2)n1 ZINC000845768984 641081910 /nfs/dbraw/zinc/08/19/10/641081910.db2.gz OOIGKIWBIYFGOZ-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN Cc1ccc(CNC(=O)[C@H](N)CCC(C)C)cc1[N+](=O)[O-] ZINC000877241238 650638330 /nfs/dbraw/zinc/63/83/30/650638330.db2.gz OEFUESXNIUFVIL-CYBMUJFWSA-N 0 3 293.367 2.283 20 5 CEBDHN COC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000181575293 641571875 /nfs/dbraw/zinc/57/18/75/641571875.db2.gz PBMNCQSFOFUKIC-LBPRGKRZSA-N 0 3 268.288 2.249 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](O)[C@@H](C)C1 ZINC000877433964 650719065 /nfs/dbraw/zinc/71/90/65/650719065.db2.gz KWQFPOSXLSZJNE-NHYWBVRUSA-N 0 3 278.352 2.414 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](O)[C@H](C)C1 ZINC000877433963 650719166 /nfs/dbraw/zinc/71/91/66/650719166.db2.gz KWQFPOSXLSZJNE-IAQYHMDHSA-N 0 3 278.352 2.414 20 5 CEBDHN C[C@@](CO)(NC[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692317 650853895 /nfs/dbraw/zinc/85/38/95/650853895.db2.gz YFASDJFBUYOKRE-CABCVRRESA-N 0 3 292.335 2.085 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)C2CC2)C2CC2)cc1 ZINC000838907595 644064597 /nfs/dbraw/zinc/06/45/97/644064597.db2.gz SLRAVLKJQUEAHX-OAHLLOKOSA-N 0 3 276.336 2.330 20 5 CEBDHN CC1(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590937 647076124 /nfs/dbraw/zinc/07/61/24/647076124.db2.gz KPEUNGUWMLTIRA-GFCCVEGCSA-N 0 3 250.298 2.113 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1F ZINC000870377507 648789925 /nfs/dbraw/zinc/78/99/25/648789925.db2.gz QMVFPKPOHSUPNG-ZETCQYMHSA-N 0 3 259.208 2.095 20 5 CEBDHN CC(COC(=O)/C=C/CCc1ccccc1)[N+](=O)[O-] ZINC000870378444 648790649 /nfs/dbraw/zinc/79/06/49/648790649.db2.gz WVWIIJBNRZVDGS-JXPAYYINSA-N 0 3 263.293 2.384 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@]12CCC[C@H]1OCC2 ZINC000872310123 649353018 /nfs/dbraw/zinc/35/30/18/649353018.db2.gz NUQTZHAMTQYWSL-KGLIPLIRSA-N 0 3 262.309 2.396 20 5 CEBDHN Cc1c(CN[C@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074106 649551405 /nfs/dbraw/zinc/55/14/05/649551405.db2.gz IXLMOJSQKQIMRC-BXUZGUMPSA-N 0 3 294.351 2.187 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)C[S@@](C)=O ZINC000873105349 649558919 /nfs/dbraw/zinc/55/89/19/649558919.db2.gz ZSKZZZKIVLSJAQ-APBUJDDRSA-N 0 3 284.381 2.068 20 5 CEBDHN CO[C@@H]1CC[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321732 651285345 /nfs/dbraw/zinc/28/53/45/651285345.db2.gz RDHWTSJTAWHMLF-CHWSQXEVSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@@H](C)N)nn1 ZINC000881365176 651698887 /nfs/dbraw/zinc/69/88/87/651698887.db2.gz NWVCQGOFXOMWPX-ZJUUUORDSA-N 0 3 275.312 2.124 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@@H](C)N)nn1 ZINC000881365173 651698936 /nfs/dbraw/zinc/69/89/36/651698936.db2.gz NWVCQGOFXOMWPX-NXEZZACHSA-N 0 3 275.312 2.124 20 5 CEBDHN COC[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883200301 652397925 /nfs/dbraw/zinc/39/79/25/652397925.db2.gz FYMKSIFIMCBTDS-KBPBESRZSA-N 0 3 294.351 2.126 20 5 CEBDHN CN1CC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712582377 814755138 /nfs/dbraw/zinc/75/51/38/814755138.db2.gz QLJJEKOYPCPXRW-LLVKDONJSA-N 0 3 269.732 2.042 20 5 CEBDHN CN(C)C1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001119411733 815108711 /nfs/dbraw/zinc/10/87/11/815108711.db2.gz JNJNLULOTWIORF-UHFFFAOYSA-N 0 3 289.257 2.364 20 5 CEBDHN CC(=O)[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969523 811319736 /nfs/dbraw/zinc/31/97/36/811319736.db2.gz FEAVULIGNJXEAO-QEJZJMRPSA-N 0 3 276.336 2.352 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncc(Cl)s2)C1 ZINC001168997051 811325774 /nfs/dbraw/zinc/32/57/74/811325774.db2.gz XDUPYMAMBFJQCB-YUMQZZPRSA-N 0 3 275.761 2.332 20 5 CEBDHN Cc1c([N+](=O)[O-])cc(F)cc1-n1ccc([C@H](C)N)n1 ZINC001169231444 811445879 /nfs/dbraw/zinc/44/58/79/811445879.db2.gz JQPZECQKPDSIAE-QMMMGPOBSA-N 0 3 264.260 2.248 20 5 CEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4CC[C@H]4C3)c2c1 ZINC001158435039 812706616 /nfs/dbraw/zinc/70/66/16/812706616.db2.gz VMTACPHHTSFXSR-ZDUSSCGKSA-N 0 3 284.319 2.037 20 5 CEBDHN CCN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CN(C)C1 ZINC001173232627 815632173 /nfs/dbraw/zinc/63/21/73/815632173.db2.gz RXYSZGSSSBIHEO-GFCCVEGCSA-N 0 3 277.368 2.162 20 5 CEBDHN COc1ccc(Nc2ccncc2C)cc1[N+](=O)[O-] ZINC001176359116 816400490 /nfs/dbraw/zinc/40/04/90/816400490.db2.gz CWPQGFUETZMUKR-UHFFFAOYSA-N 0 3 259.265 2.472 20 5 CEBDHN CCOC1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124488403 187139664 /nfs/dbraw/zinc/13/96/64/187139664.db2.gz DJWUPYKTDTWGRS-UHFFFAOYSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H](NCC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298506 346815329 /nfs/dbraw/zinc/81/53/29/346815329.db2.gz IXNCJIDXXWGFFQ-KWQFWETISA-N 0 3 274.267 2.262 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCc2ccncc2)cc1 ZINC000037870881 361957858 /nfs/dbraw/zinc/95/78/58/361957858.db2.gz TYOJKXLBBMAIPY-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN COc1cc(CN[C@@H]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847724 290663415 /nfs/dbraw/zinc/66/34/15/290663415.db2.gz OZMYRMZEHMHGHY-CABCVRRESA-N 0 3 294.351 2.244 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000007960756 343360365 /nfs/dbraw/zinc/36/03/65/343360365.db2.gz AZCMKMCNMVSLCY-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CCC[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030270417 343404088 /nfs/dbraw/zinc/40/40/88/343404088.db2.gz ABTFHFRNBHHOKW-JTQLQIEISA-N 0 3 279.340 2.314 20 5 CEBDHN Cc1c(CN2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000047496267 362209503 /nfs/dbraw/zinc/20/95/03/362209503.db2.gz RJZXXXBJOIUQAL-ZDUSSCGKSA-N 0 3 264.325 2.250 20 5 CEBDHN CCN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000047698391 343521004 /nfs/dbraw/zinc/52/10/04/343521004.db2.gz XJMUMGWZMMLKKQ-GFCCVEGCSA-N 0 3 264.325 2.453 20 5 CEBDHN C[C@@H]1CNCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000054374875 343589160 /nfs/dbraw/zinc/58/91/60/343589160.db2.gz VVJQFNOFIFJQEA-MRVPVSSYSA-N 0 3 255.705 2.046 20 5 CEBDHN CN(C)CCn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000057854533 343639294 /nfs/dbraw/zinc/63/92/94/343639294.db2.gz OXHSIGHHUSNSON-UHFFFAOYSA-N 0 3 293.302 2.236 20 5 CEBDHN Cc1c(CN(CCO)CC2CC2)cccc1[N+](=O)[O-] ZINC000064516064 343691278 /nfs/dbraw/zinc/69/12/78/343691278.db2.gz YKMFZBASXJIDOZ-UHFFFAOYSA-N 0 3 264.325 2.108 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@H](N2CCCC2)C1 ZINC000076836008 343899966 /nfs/dbraw/zinc/89/99/66/343899966.db2.gz ZZZZXYBWLMUVBM-LBPRGKRZSA-N 0 3 276.340 2.054 20 5 CEBDHN COc1cc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1F ZINC000091482840 344164944 /nfs/dbraw/zinc/16/49/44/344164944.db2.gz VSVKJWCFXGLOMH-SNVBAGLBSA-N 0 3 297.330 2.496 20 5 CEBDHN Cc1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000091899128 344173562 /nfs/dbraw/zinc/17/35/62/344173562.db2.gz VNZSSZJTIRZDEV-HIFRSBDPSA-N 0 3 278.352 2.496 20 5 CEBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413083 344139706 /nfs/dbraw/zinc/13/97/06/344139706.db2.gz BEXRFFFGRZYEID-BXUZGUMPSA-N 0 3 291.351 2.175 20 5 CEBDHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000161532354 344464054 /nfs/dbraw/zinc/46/40/54/344464054.db2.gz OCCGXNSDSBHNID-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000161532458 344464327 /nfs/dbraw/zinc/46/43/27/344464327.db2.gz OCCGXNSDSBHNID-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCN(C3CC3)C2)n1 ZINC000162717252 344468789 /nfs/dbraw/zinc/46/87/89/344468789.db2.gz HVBIZIBGXGQVPR-LLVKDONJSA-N 0 3 276.340 2.194 20 5 CEBDHN COC(=O)[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000280793264 344675038 /nfs/dbraw/zinc/67/50/38/344675038.db2.gz RFUXINSUBHMDPZ-NTZNESFSSA-N 0 3 292.335 2.397 20 5 CEBDHN C[C@@H](O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602568940 347081580 /nfs/dbraw/zinc/08/15/80/347081580.db2.gz PNIXQLURBRCALU-MRVPVSSYSA-N 0 3 292.257 2.474 20 5 CEBDHN CC[C@@H](NC/C(C)=C\c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776078 282362852 /nfs/dbraw/zinc/36/28/52/282362852.db2.gz OCNNNPYLQGXYMN-KOTGUFOOSA-N 0 3 291.351 2.112 20 5 CEBDHN CC(C)N1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401162239 344866918 /nfs/dbraw/zinc/86/69/18/344866918.db2.gz NMMHQZLOFRCJIM-UHFFFAOYSA-N 0 3 282.319 2.414 20 5 CEBDHN C[C@@H]1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CO1 ZINC000592380635 345348273 /nfs/dbraw/zinc/34/82/73/345348273.db2.gz WVPGCKAPHQBGHQ-YJLKIPLNSA-N 0 3 262.309 2.375 20 5 CEBDHN Cc1ccccc1C1(NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000592139877 345328294 /nfs/dbraw/zinc/32/82/94/345328294.db2.gz MARGTGARFMEIAQ-UHFFFAOYSA-N 0 3 286.335 2.379 20 5 CEBDHN CC[C@H](N[C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719352 345526997 /nfs/dbraw/zinc/52/69/97/345526997.db2.gz WWUMDBUJEPHPIB-YPMHNXCESA-N 0 3 270.304 2.356 20 5 CEBDHN C[C@H](NCC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593722809 345527992 /nfs/dbraw/zinc/52/79/92/345527992.db2.gz ZAYXZMVFEFBBNY-SWLSCSKDSA-N 0 3 294.351 2.177 20 5 CEBDHN CC(C)N1CCCC[C@@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000339114593 214961625 /nfs/dbraw/zinc/96/16/25/214961625.db2.gz RDSLUASOIXGMBJ-GFCCVEGCSA-N 0 3 279.340 2.019 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCc2nccs2)c1 ZINC000060390890 362660547 /nfs/dbraw/zinc/66/05/47/362660547.db2.gz RTFNINJNALDHNP-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000594938697 345710129 /nfs/dbraw/zinc/71/01/29/345710129.db2.gz OKCYIYBYTFYOEV-WCFLWFBJSA-N 0 3 292.335 2.190 20 5 CEBDHN COc1cc(C[NH2+]CCc2ccoc2)c([N+](=O)[O-])cc1[O-] ZINC000594982511 345721178 /nfs/dbraw/zinc/72/11/78/345721178.db2.gz ULVNIGVUWITRQC-UHFFFAOYSA-N 0 3 292.291 2.234 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)OC ZINC000595043733 345733293 /nfs/dbraw/zinc/73/32/93/345733293.db2.gz ZRADTIDXMZGSMD-NXEZZACHSA-N 0 3 268.313 2.289 20 5 CEBDHN CN(CCN1CCCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312816 345760670 /nfs/dbraw/zinc/76/06/70/345760670.db2.gz NCXMZIBQDXFJKS-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN C[C@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595757457 345868483 /nfs/dbraw/zinc/86/84/83/345868483.db2.gz JLVXYLFQFWFNJD-JSGCOSHPSA-N 0 3 262.309 2.063 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3C[C@H]3C2)cc1 ZINC000595808967 345881003 /nfs/dbraw/zinc/88/10/03/345881003.db2.gz PUHWDKYVFASZCC-RYUDHWBXSA-N 0 3 262.309 2.315 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCOCCF ZINC000596057209 345929549 /nfs/dbraw/zinc/92/95/49/345929549.db2.gz KLGCVDLQNGHNBU-HWKANZROSA-N 0 3 268.288 2.184 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595875532 345903737 /nfs/dbraw/zinc/90/37/37/345903737.db2.gz QMKCGDHMHBXILO-BXUZGUMPSA-N 0 3 264.325 2.045 20 5 CEBDHN O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CCN(C3CC3)C2)c1 ZINC000596091542 345937699 /nfs/dbraw/zinc/93/76/99/345937699.db2.gz MYNCHDUUBLSBIS-LBPRGKRZSA-N 0 3 298.346 2.214 20 5 CEBDHN N[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1F ZINC000596105690 345940661 /nfs/dbraw/zinc/94/06/61/345940661.db2.gz LYYRBMMFTFCXAG-VXGBXAGGSA-N 0 3 287.722 2.119 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000596305863 345994989 /nfs/dbraw/zinc/99/49/89/345994989.db2.gz BOPYAGHCDDKYCF-SNVBAGLBSA-N 0 3 264.329 2.275 20 5 CEBDHN C[C@@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128291706 187361842 /nfs/dbraw/zinc/36/18/42/187361842.db2.gz FJOLRAXMANPPFC-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN CC(C)(C)[N@@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596305864 345995472 /nfs/dbraw/zinc/99/54/72/345995472.db2.gz BSYQMYSJNVDMSX-JTQLQIEISA-N 0 3 294.355 2.228 20 5 CEBDHN CC(C)(C)[N@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596305864 345995474 /nfs/dbraw/zinc/99/54/74/345995474.db2.gz BSYQMYSJNVDMSX-JTQLQIEISA-N 0 3 294.355 2.228 20 5 CEBDHN CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000597947439 346256197 /nfs/dbraw/zinc/25/61/97/346256197.db2.gz YHCDNHLSOJUDQR-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000598343045 346331938 /nfs/dbraw/zinc/33/19/38/346331938.db2.gz POGCFBYKTVUWQG-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598265545 346316801 /nfs/dbraw/zinc/31/68/01/346316801.db2.gz UJQXALFIHLMPKE-LLVKDONJSA-N 0 3 295.339 2.038 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H](C)N1 ZINC000598532442 346371818 /nfs/dbraw/zinc/37/18/18/346371818.db2.gz YTYKIIQNSXVCGA-NWDGAFQWSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645331 346391302 /nfs/dbraw/zinc/39/13/02/346391302.db2.gz GVIDSUITOYHWJB-DGCLKSJQSA-N 0 3 264.325 2.045 20 5 CEBDHN O=[N+]([O-])c1cnccc1NC[C@@H]1CCN1C1CCCCC1 ZINC000599125735 346463858 /nfs/dbraw/zinc/46/38/58/346463858.db2.gz ATSMJHBEOXMRNX-ZDUSSCGKSA-N 0 3 290.367 2.231 20 5 CEBDHN CC[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599180978 346475314 /nfs/dbraw/zinc/47/53/14/346475314.db2.gz RQYPCDVYGIUKLQ-DTWKUNHWSA-N 0 3 255.343 2.233 20 5 CEBDHN Cc1ccc(CNCC[C@@H](C)[S@@](C)=O)cc1[N+](=O)[O-] ZINC000129345103 365849524 /nfs/dbraw/zinc/84/95/24/365849524.db2.gz ODAUPDBISQNRGI-WYRIXSBYSA-N 0 3 284.381 2.150 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000601127227 346761437 /nfs/dbraw/zinc/76/14/37/346761437.db2.gz CJXWFJDEZMKLPY-WCBMZHEXSA-N 0 3 280.303 2.166 20 5 CEBDHN CCn1ccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602693959 347152252 /nfs/dbraw/zinc/15/22/52/347152252.db2.gz IBOQZOATYZKZLU-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)CCC[C@H]1C ZINC000602775309 347193235 /nfs/dbraw/zinc/19/32/35/347193235.db2.gz HHHGAGRVVKXFEF-GHMZBOCLSA-N 0 3 266.345 2.363 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(C)C)CC1 ZINC000602779933 347195090 /nfs/dbraw/zinc/19/50/90/347195090.db2.gz GMNXKSSLXQREES-UHFFFAOYSA-N 0 3 280.372 2.468 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@@H](C)C1 ZINC000602801898 347204730 /nfs/dbraw/zinc/20/47/30/347204730.db2.gz VPGJZMSVKKRBGO-QWRGUYRKSA-N 0 3 266.345 2.078 20 5 CEBDHN C[C@H]1CCCC[C@@H]1N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814697 347211193 /nfs/dbraw/zinc/21/11/93/347211193.db2.gz NCQXTDZLRVZOQG-JQWIXIFHSA-N 0 3 266.345 2.339 20 5 CEBDHN CCS[C@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602832691 347217464 /nfs/dbraw/zinc/21/74/64/347217464.db2.gz VRCLHMJNQBMAMB-MNOVXSKESA-N 0 3 284.385 2.092 20 5 CEBDHN C[C@@H]1CCCC[C@]1(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602844054 347221302 /nfs/dbraw/zinc/22/13/02/347221302.db2.gz YKHDKWXBSHPWSW-MFKMUULPSA-N 0 3 266.345 2.387 20 5 CEBDHN CC[C@@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000602981335 347265040 /nfs/dbraw/zinc/26/50/40/347265040.db2.gz BQJBABXGEROTCK-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN CC(C)[C@H](N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185818 347303437 /nfs/dbraw/zinc/30/34/37/347303437.db2.gz NZTKMMVXZZHPGD-HZMBPMFUSA-N 0 3 289.339 2.451 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)Cc2ccco2)c1 ZINC000610871130 347719891 /nfs/dbraw/zinc/71/98/91/347719891.db2.gz HRJNMNXMYAGVDX-ZDUSSCGKSA-N 0 3 290.319 2.129 20 5 CEBDHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000336843744 365917266 /nfs/dbraw/zinc/91/72/66/365917266.db2.gz XQBAEBFGNOAOJZ-NSHDSACASA-N 0 3 281.360 2.016 20 5 CEBDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336889113 365936219 /nfs/dbraw/zinc/93/62/19/365936219.db2.gz FWYHMUQCRNIMIM-YGRLFVJLSA-N 0 3 282.315 2.375 20 5 CEBDHN O=[N+]([O-])c1ncccc1NC[C@H]1CCCCN1C1CC1 ZINC000617976685 348843184 /nfs/dbraw/zinc/84/31/84/348843184.db2.gz TUBMSDPWJUKOJX-GFCCVEGCSA-N 0 3 276.340 2.419 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(CC2CC2)C1 ZINC000619480699 349187215 /nfs/dbraw/zinc/18/72/15/349187215.db2.gz MQSAVQRJZVJGGC-LBPRGKRZSA-N 0 3 293.371 2.016 20 5 CEBDHN COc1cc(CN2C[C@@H](C)N(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000339621990 215272661 /nfs/dbraw/zinc/27/26/61/215272661.db2.gz WPWMSXTWRPUGJV-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN CCN1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000090692104 180024489 /nfs/dbraw/zinc/02/44/89/180024489.db2.gz FVVKBYQNXPBUAH-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@H]1[C@@H](CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000412062971 233326446 /nfs/dbraw/zinc/32/64/46/233326446.db2.gz AWZMQLURJQANOF-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H](CNCc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000105489224 186060352 /nfs/dbraw/zinc/06/03/52/186060352.db2.gz YTQYPBOXPIKYGU-LLVKDONJSA-N 0 3 263.341 2.167 20 5 CEBDHN CCN(C[C@H](C)O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194207 219355369 /nfs/dbraw/zinc/35/53/69/219355369.db2.gz IRDNYNOIEUMRQL-WDEREUQCSA-N 0 3 252.314 2.359 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000107692025 186186804 /nfs/dbraw/zinc/18/68/04/186186804.db2.gz YGAOKTZIFIBGAQ-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1cn[nH]c1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000291508913 198039792 /nfs/dbraw/zinc/03/97/92/198039792.db2.gz IDLQITIBEHAEHD-UHFFFAOYSA-N 0 3 274.324 2.301 20 5 CEBDHN Cn1nccc1CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292075496 198154322 /nfs/dbraw/zinc/15/43/22/198154322.db2.gz FCXKWTAWCWXVIG-UHFFFAOYSA-N 0 3 288.351 2.396 20 5 CEBDHN CCC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135463769 187831631 /nfs/dbraw/zinc/83/16/31/187831631.db2.gz XLUMKJAYPFXKFP-WDEREUQCSA-N 0 3 252.314 2.406 20 5 CEBDHN CCOc1ccc([C@H](C)NCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000153804324 188104931 /nfs/dbraw/zinc/10/49/31/188104931.db2.gz QRSWMTGSVWOFKB-QWRGUYRKSA-N 0 3 282.340 2.415 20 5 CEBDHN COC(=O)C1(CNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295173984 199386752 /nfs/dbraw/zinc/38/67/52/199386752.db2.gz HGMYBDMEMDKUSY-UHFFFAOYSA-N 0 3 292.335 2.373 20 5 CEBDHN CC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157314221 188309872 /nfs/dbraw/zinc/30/98/72/188309872.db2.gz ILVKJDNDJZJYGP-NSHDSACASA-N 0 3 252.318 2.056 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000134630992 366349057 /nfs/dbraw/zinc/34/90/57/366349057.db2.gz MAVQXMIIIDSDPY-MBNYWOFBSA-N 0 3 276.336 2.491 20 5 CEBDHN C[C@H](CCCO)CNCc1csc([N+](=O)[O-])c1 ZINC000294748063 199164308 /nfs/dbraw/zinc/16/43/08/199164308.db2.gz HUVIJTQGMCQIKI-SECBINFHSA-N 0 3 258.343 2.155 20 5 CEBDHN Cc1c(CN[C@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338595791 366434178 /nfs/dbraw/zinc/43/41/78/366434178.db2.gz CANQSLMDKUVMHZ-ZDUSSCGKSA-N 0 3 291.351 2.050 20 5 CEBDHN C[C@H](NC[C@@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906829 199242885 /nfs/dbraw/zinc/24/28/85/199242885.db2.gz FHKMBBQNQYPDJX-RYUDHWBXSA-N 0 3 291.351 2.162 20 5 CEBDHN COc1cc(N2C[C@H](C)N(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338783966 366520827 /nfs/dbraw/zinc/52/08/27/366520827.db2.gz IWPKHYOMHYJYOY-QWRGUYRKSA-N 0 3 279.340 2.132 20 5 CEBDHN CCOC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000496795848 291171804 /nfs/dbraw/zinc/17/18/04/291171804.db2.gz SUUQHTILCXPHFT-VIFPVBQESA-N 0 3 296.279 2.077 20 5 CEBDHN COC1([C@@H](C)NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000453086445 283468561 /nfs/dbraw/zinc/46/85/61/283468561.db2.gz LGALGOUTKHYQCY-GFCCVEGCSA-N 0 3 294.351 2.269 20 5 CEBDHN C[C@H](NCCSCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000151236075 366631704 /nfs/dbraw/zinc/63/17/04/366631704.db2.gz RTISLCQNHYVWHO-NSHDSACASA-N 0 3 284.381 2.361 20 5 CEBDHN COC[C@@](C)(O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264600 283515375 /nfs/dbraw/zinc/51/53/75/283515375.db2.gz WGUIMMXQPAWDGY-WFASDCNBSA-N 0 3 296.367 2.341 20 5 CEBDHN CC(C)N1CCCC[C@@H]1Cn1cc([N+](=O)[O-])ccc1=O ZINC000339114750 366660158 /nfs/dbraw/zinc/66/01/58/366660158.db2.gz DXRQLCZISZXLJS-GFCCVEGCSA-N 0 3 279.340 2.019 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000177851377 189074319 /nfs/dbraw/zinc/07/43/19/189074319.db2.gz KSHZBZJSVGIXRZ-LBPRGKRZSA-N 0 3 293.367 2.421 20 5 CEBDHN Cc1c([C@@H](C)NCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000178294204 189103564 /nfs/dbraw/zinc/10/35/64/189103564.db2.gz SEKYDROHZIGKAG-LLVKDONJSA-N 0 3 279.340 2.032 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC1(O)CCOCC1 ZINC000178809564 189147812 /nfs/dbraw/zinc/14/78/12/189147812.db2.gz IUVSGIRHTSNTJO-LBPRGKRZSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(C)(C)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000180634747 189267077 /nfs/dbraw/zinc/26/70/77/189267077.db2.gz ZDYKNCLECBNDQY-GFCCVEGCSA-N 0 3 252.314 2.091 20 5 CEBDHN CC1=CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000302153395 201369382 /nfs/dbraw/zinc/36/93/82/201369382.db2.gz MODHZKBGJLXDOF-UHFFFAOYSA-N 0 3 262.313 2.054 20 5 CEBDHN COCC[C@@H](COC)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059668 299342822 /nfs/dbraw/zinc/34/28/22/299342822.db2.gz GSAUVIGSIRDOIK-SMDDNHRTSA-N 0 3 294.351 2.223 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000112114679 364773847 /nfs/dbraw/zinc/77/38/47/364773847.db2.gz ICNYSCGQLFAFLM-SNVBAGLBSA-N 0 3 297.742 2.072 20 5 CEBDHN CCSCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000275795055 193129639 /nfs/dbraw/zinc/12/96/39/193129639.db2.gz OANUSSFWJKIQAP-UHFFFAOYSA-N 0 3 270.354 2.446 20 5 CEBDHN COCCN(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000159364169 366905827 /nfs/dbraw/zinc/90/58/27/366905827.db2.gz YGCFDMOYGSZWGF-CYBMUJFWSA-N 0 3 295.383 2.132 20 5 CEBDHN CO[C@@H]1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000341288192 367269740 /nfs/dbraw/zinc/26/97/40/367269740.db2.gz ZRMSIMZIHPAXKG-GXTWGEPZSA-N 0 3 264.325 2.500 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCc1cnccn1 ZINC000341309922 367279368 /nfs/dbraw/zinc/27/93/68/367279368.db2.gz PZDWCFUNDQCVPL-HYXAFXHYSA-N 0 3 284.319 2.230 20 5 CEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000166367948 367321330 /nfs/dbraw/zinc/32/13/30/367321330.db2.gz MAAJAZWLRHNHRD-TYNCELHUSA-N 0 3 294.351 2.439 20 5 CEBDHN CN(CC1CCN(C)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000171562330 367566621 /nfs/dbraw/zinc/56/66/21/367566621.db2.gz LRBYFCADNREYSN-UHFFFAOYSA-N 0 3 297.380 2.070 20 5 CEBDHN C[C@H](N[C@@H]1CN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009150 370869129 /nfs/dbraw/zinc/86/91/29/370869129.db2.gz CCCMGOBMTSEDBQ-UHIISALHSA-N 0 3 263.341 2.196 20 5 CEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000172621682 367790170 /nfs/dbraw/zinc/79/01/70/367790170.db2.gz ZSCJTPTVTUVVKY-MWLCHTKSSA-N 0 3 297.380 2.211 20 5 CEBDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000343439095 367815732 /nfs/dbraw/zinc/81/57/32/367815732.db2.gz IWYNEVFAVHLLCF-BXUZGUMPSA-N 0 3 291.351 2.116 20 5 CEBDHN COC[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245229 368001019 /nfs/dbraw/zinc/00/10/19/368001019.db2.gz LMSZFQBIVSIQBT-GFCCVEGCSA-N 0 3 294.351 2.473 20 5 CEBDHN CC(C)(O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802955 368068509 /nfs/dbraw/zinc/06/85/09/368068509.db2.gz YCJDPJXGMKMXDG-UHFFFAOYSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)(C)[C@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000181483936 368462076 /nfs/dbraw/zinc/46/20/76/368462076.db2.gz FTSAYNJGTVGLKZ-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1cc(NC[C@@H](C)N2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348177083 368935067 /nfs/dbraw/zinc/93/50/67/368935067.db2.gz HAYYWTJHLMTERE-CHWSQXEVSA-N 0 3 292.383 2.395 20 5 CEBDHN Cc1c(C(=O)N(C)CCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000186721830 369027613 /nfs/dbraw/zinc/02/76/13/369027613.db2.gz ALWQBODLSRHTJU-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CN1CC[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000349736964 369382323 /nfs/dbraw/zinc/38/23/23/369382323.db2.gz APIJLBWMWNOGQJ-JTQLQIEISA-N 0 3 274.280 2.064 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000276098111 193213811 /nfs/dbraw/zinc/21/38/11/193213811.db2.gz YQQNRSCZWDAHSY-AWEZNQCLSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN(C)C ZINC000349896553 369443091 /nfs/dbraw/zinc/44/30/91/369443091.db2.gz VORJBYHCWJYHNW-SNVBAGLBSA-N 0 3 294.355 2.283 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@H](O)C1(C)C ZINC000189328506 369498857 /nfs/dbraw/zinc/49/88/57/369498857.db2.gz PQNGCVLZGWDNRG-OLZOCXBDSA-N 0 3 264.325 2.152 20 5 CEBDHN CCN(C)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189797174 369569863 /nfs/dbraw/zinc/56/98/63/369569863.db2.gz PWMNDXJFTMAKMV-UHFFFAOYSA-N 0 3 293.367 2.400 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352667901 369826712 /nfs/dbraw/zinc/82/67/12/369826712.db2.gz OBNZUQGNNATGJI-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN CN(CCOCC1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000352544536 369780607 /nfs/dbraw/zinc/78/06/07/369780607.db2.gz RNCHXDCVOFVDBP-UHFFFAOYSA-N 0 3 278.352 2.496 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000194632740 370060098 /nfs/dbraw/zinc/06/00/98/370060098.db2.gz DQNXTIRWIXQOJG-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCOCC2CC2)c1 ZINC000224527057 370280388 /nfs/dbraw/zinc/28/03/88/370280388.db2.gz CXFGPJQHTUZDRM-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C ZINC000354441176 370364729 /nfs/dbraw/zinc/36/47/29/370364729.db2.gz WQCYXRGQHMOBFR-WDEREUQCSA-N 0 3 295.339 2.133 20 5 CEBDHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C ZINC000354441173 370365348 /nfs/dbraw/zinc/36/53/48/370365348.db2.gz WQCYXRGQHMOBFR-MNOVXSKESA-N 0 3 295.339 2.133 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cncc(F)c2)cc1 ZINC000230940196 370471440 /nfs/dbraw/zinc/47/14/40/370471440.db2.gz YKDSWRHENARBIM-UHFFFAOYSA-N 0 3 275.283 2.461 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247442192 371108186 /nfs/dbraw/zinc/10/81/86/371108186.db2.gz POCYXLHHBHTPQY-BXUZGUMPSA-N 0 3 291.351 2.007 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN3CCCC[C@H]3C2)cc1F ZINC000250895017 371394606 /nfs/dbraw/zinc/39/46/06/371394606.db2.gz OYLDQLPEDSCAOI-ZDUSSCGKSA-N 0 3 293.342 2.404 20 5 CEBDHN CO[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000251698508 371412011 /nfs/dbraw/zinc/41/20/11/371412011.db2.gz JUUAMLDIIRQJDJ-BXUZGUMPSA-N 0 3 264.325 2.452 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252702206 371470784 /nfs/dbraw/zinc/47/07/84/371470784.db2.gz GVGRYTWUNIZQAP-QWHCGFSZSA-N 0 3 291.351 2.178 20 5 CEBDHN CC(=O)c1cc(N2CCN3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252805543 371480924 /nfs/dbraw/zinc/48/09/24/371480924.db2.gz FWRXTIYLUCSSLM-ZDUSSCGKSA-N 0 3 289.335 2.082 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000361063549 371628717 /nfs/dbraw/zinc/62/87/17/371628717.db2.gz SAMANRPVISJYDK-MWLCHTKSSA-N 0 3 293.371 2.157 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@H](C)[C@@H]1C ZINC000361152108 371683554 /nfs/dbraw/zinc/68/35/54/371683554.db2.gz HZXDHLUXZXOPDG-OLZOCXBDSA-N 0 3 277.368 2.428 20 5 CEBDHN Cc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000361164071 371692141 /nfs/dbraw/zinc/69/21/41/371692141.db2.gz CYDJKZLDMOSKIQ-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN C[C@H]1C[C@@H](CO)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000344174521 217084969 /nfs/dbraw/zinc/08/49/69/217084969.db2.gz QQRBKHIALACVOM-JSGCOSHPSA-N 0 3 278.352 2.230 20 5 CEBDHN CC(C(=O)N(C)c1ccc([N+](=O)[O-])nc1)C(F)(F)F ZINC000344203331 217096740 /nfs/dbraw/zinc/09/67/40/217096740.db2.gz WKMIAXJQLGAMNH-LURJTMIESA-N 0 3 277.202 2.151 20 5 CEBDHN CC[C@@]1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344208706 217099049 /nfs/dbraw/zinc/09/90/49/217099049.db2.gz BFOSTVZLGDUIPC-HNNXBMFYSA-N 0 3 291.351 2.316 20 5 CEBDHN Cc1nc(N2CCC[C@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000269077826 372334286 /nfs/dbraw/zinc/33/42/86/372334286.db2.gz CKSDUYNNPBUGKU-GXTWGEPZSA-N 0 3 290.367 2.219 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000270099031 372664483 /nfs/dbraw/zinc/66/44/83/372664483.db2.gz LBWFPRDFFGBLLK-JSGCOSHPSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H](NC[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491680 220115482 /nfs/dbraw/zinc/11/54/82/220115482.db2.gz SLVFTKPXDJXOCF-GXFFZTMASA-N 0 3 264.325 2.264 20 5 CEBDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272068309 373290978 /nfs/dbraw/zinc/29/09/78/373290978.db2.gz DWAQICWQZAFHBA-SMDDNHRTSA-N 0 3 293.367 2.358 20 5 CEBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1=CCN(C)CC1 ZINC000272735720 373635870 /nfs/dbraw/zinc/63/58/70/373635870.db2.gz MEFFEWGYHOUVOD-VIFPVBQESA-N 0 3 295.364 2.037 20 5 CEBDHN CCOc1cc(CN2CC[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276836856 374320147 /nfs/dbraw/zinc/32/01/47/374320147.db2.gz BWBHWCXSVHWIIS-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN CC[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279368193 374851321 /nfs/dbraw/zinc/85/13/21/374851321.db2.gz WYTSLLXAKUIPKO-GXFFZTMASA-N 0 3 291.351 2.362 20 5 CEBDHN C[C@@H](CC(C)(C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000385023256 375224635 /nfs/dbraw/zinc/22/46/35/375224635.db2.gz OUENDTXGAVWYOA-VIFPVBQESA-N 0 3 270.304 2.373 20 5 CEBDHN CC(C)(O)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000282493184 375498500 /nfs/dbraw/zinc/49/85/00/375498500.db2.gz MUHATJDRDDGNRY-UHFFFAOYSA-N 0 3 282.315 2.469 20 5 CEBDHN Cc1n[nH]cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282832334 375588741 /nfs/dbraw/zinc/58/87/41/375588741.db2.gz BTYMZBPXQUAUIX-UHFFFAOYSA-N 0 3 274.324 2.301 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000414653297 375902607 /nfs/dbraw/zinc/90/26/07/375902607.db2.gz DZXLLHAEAUXSCU-WDEREUQCSA-N 0 3 292.339 2.117 20 5 CEBDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419376925 376447800 /nfs/dbraw/zinc/44/78/00/376447800.db2.gz UKSLYYVVYPQATR-OUAUKWLOSA-N 0 3 291.351 2.170 20 5 CEBDHN COCCOCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290234287 376698869 /nfs/dbraw/zinc/69/88/69/376698869.db2.gz TZJQMXZASZITDY-FNORWQNLSA-N 0 3 294.351 2.203 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000265743278 190203618 /nfs/dbraw/zinc/20/36/18/190203618.db2.gz CUEDJYWPBLKOML-LLVKDONJSA-N 0 3 250.298 2.063 20 5 CEBDHN CC[C@@H](O)[C@@H](CC)NCc1ccc([N+](=O)[O-])cc1F ZINC000313187065 249387943 /nfs/dbraw/zinc/38/79/43/249387943.db2.gz ZDDADNVCKWFSIZ-CHWSQXEVSA-N 0 3 270.304 2.373 20 5 CEBDHN Cc1ccc(CN2CCC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000294170673 377927909 /nfs/dbraw/zinc/92/79/09/377927909.db2.gz WJWXWOHQJSAQTK-ZDUSSCGKSA-N 0 3 264.325 2.250 20 5 CEBDHN CN(C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000295458068 378166887 /nfs/dbraw/zinc/16/68/87/378166887.db2.gz ODQZRNLYWKNNSO-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN CN(c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000266052305 190226672 /nfs/dbraw/zinc/22/66/72/190226672.db2.gz XEXJBEOFYPVSPO-NSHDSACASA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1nc(NC2CCN(C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000296020882 378392190 /nfs/dbraw/zinc/39/21/90/378392190.db2.gz OGLKGGOXCNJRFP-UHFFFAOYSA-N 0 3 291.355 2.122 20 5 CEBDHN C[C@@H](O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450497906 378451433 /nfs/dbraw/zinc/45/14/33/378451433.db2.gz GYZJDSQOWSVEIS-LLVKDONJSA-N 0 3 264.325 2.330 20 5 CEBDHN COc1cc(SCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000347291292 218180617 /nfs/dbraw/zinc/18/06/17/218180617.db2.gz NGLOUGJAMRPMFC-UHFFFAOYSA-N 0 3 286.353 2.266 20 5 CEBDHN Cc1cccc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000300421594 379171023 /nfs/dbraw/zinc/17/10/23/379171023.db2.gz OVPUFXASCGFJRI-STQMWFEESA-N 0 3 291.351 2.178 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C(C)C)C1 ZINC000301334885 379259979 /nfs/dbraw/zinc/25/99/79/379259979.db2.gz CQCFVJJDFBNRHK-NSHDSACASA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1cccc(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000302490346 379383261 /nfs/dbraw/zinc/38/32/61/379383261.db2.gz JSYYFYSRRUHALM-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN CCN1CCC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302570321 379398216 /nfs/dbraw/zinc/39/82/16/379398216.db2.gz QGNZKZRDLWONNY-LLVKDONJSA-N 0 3 290.367 2.459 20 5 CEBDHN CCC[C@@](C)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000304258448 379538076 /nfs/dbraw/zinc/53/80/76/379538076.db2.gz SKEJPQYWGJYRNV-ZDUSSCGKSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558509 190337814 /nfs/dbraw/zinc/33/78/14/190337814.db2.gz FIJYZQAVAMXHFD-NWDGAFQWSA-N 0 3 263.341 2.371 20 5 CEBDHN CCOc1cc(CN2CC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488746710 380129096 /nfs/dbraw/zinc/12/90/96/380129096.db2.gz MRHAGVFYULVIEI-WCQYABFASA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000547363439 380433968 /nfs/dbraw/zinc/43/39/68/380433968.db2.gz QEMRXQWBFOPDQS-JSGCOSHPSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)/C=C/CN(C)C)cc1[N+](=O)[O-] ZINC000492072361 380439311 /nfs/dbraw/zinc/43/93/11/380439311.db2.gz IITXXJSIZJBNSB-FYJFLYSWSA-N 0 3 291.351 2.198 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1N1CCCN(C2CC2)CC1 ZINC000302794940 285118057 /nfs/dbraw/zinc/11/80/57/285118057.db2.gz JIUQRORVHMZXNF-UHFFFAOYSA-N 0 3 279.315 2.408 20 5 CEBDHN O=[N+]([O-])c1ccsc1N1CC[C@H](N2CCCC2)C1 ZINC000301977670 285170205 /nfs/dbraw/zinc/17/02/05/285170205.db2.gz DNGJLPMAQJMBQC-JTQLQIEISA-N 0 3 267.354 2.331 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094773824 184858780 /nfs/dbraw/zinc/85/87/80/184858780.db2.gz NCCFFBGXAFTDTG-GFCCVEGCSA-N 0 3 270.304 2.495 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCSC1 ZINC000224409950 394466054 /nfs/dbraw/zinc/46/60/54/394466054.db2.gz NSPJWJHDADKCSU-JTQLQIEISA-N 0 3 252.339 2.438 20 5 CEBDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000268448442 394694946 /nfs/dbraw/zinc/69/49/46/394694946.db2.gz FLTCHKUESBAPKS-CMPLNLGQSA-N 0 3 278.356 2.075 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422733628 394746129 /nfs/dbraw/zinc/74/61/29/394746129.db2.gz BPFFOTHKDPFZFN-NSHDSACASA-N 0 3 286.335 2.296 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269413622 394717425 /nfs/dbraw/zinc/71/74/25/394717425.db2.gz XNLIAYUBWNRMFP-MWLCHTKSSA-N 0 3 298.774 2.420 20 5 CEBDHN Cc1ccc(CN[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000278777141 394834892 /nfs/dbraw/zinc/83/48/92/394834892.db2.gz VEQBOHZSIQRCKT-ZDUSSCGKSA-N 0 3 266.341 2.400 20 5 CEBDHN C[C@@H]1CSC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000286151890 395015686 /nfs/dbraw/zinc/01/56/86/395015686.db2.gz VYENUSSLCVQHFN-BXKDBHETSA-N 0 3 252.339 2.436 20 5 CEBDHN CC(C)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373566039 395062743 /nfs/dbraw/zinc/06/27/43/395062743.db2.gz GUTHGQJNZTYWOO-LLVKDONJSA-N 0 3 252.318 2.084 20 5 CEBDHN CN1CC[C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000375023673 395089284 /nfs/dbraw/zinc/08/92/84/395089284.db2.gz VHAZRUQMBBKQGH-ABAIWWIYSA-N 0 3 293.342 2.260 20 5 CEBDHN CCCN1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376222820 395113634 /nfs/dbraw/zinc/11/36/34/395113634.db2.gz RSEQITQBJMUXOS-UHFFFAOYSA-N 0 3 278.356 2.099 20 5 CEBDHN Cc1ccc(CNCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397974153 395231418 /nfs/dbraw/zinc/23/14/18/395231418.db2.gz ISATVVNELRMCRK-UHFFFAOYSA-N 0 3 263.341 2.087 20 5 CEBDHN CN1CC[C@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292231007 395189916 /nfs/dbraw/zinc/18/99/16/395189916.db2.gz IUEVYKFALMDESZ-ZDUSSCGKSA-N 0 3 296.758 2.175 20 5 CEBDHN Cc1cc(N2CCN(C3CC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295055748 395284871 /nfs/dbraw/zinc/28/48/71/395284871.db2.gz YOFZYEZNPNCYEC-NSHDSACASA-N 0 3 290.367 2.219 20 5 CEBDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465718 395300290 /nfs/dbraw/zinc/30/02/90/395300290.db2.gz HPEKJRQACPKYBS-GWCFXTLKSA-N 0 3 294.330 2.049 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCSC[C@@H]2C2CCC2)n1 ZINC000419364221 395264134 /nfs/dbraw/zinc/26/41/34/395264134.db2.gz POZCXFKYLVQUOH-GFCCVEGCSA-N 0 3 296.396 2.009 20 5 CEBDHN Cc1cnc(N2CCC[C@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000189081907 395323811 /nfs/dbraw/zinc/32/38/11/395323811.db2.gz YSAXZPZCYRYGRJ-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)CC(F)F ZINC000566476238 395528919 /nfs/dbraw/zinc/52/89/19/395528919.db2.gz VJGBJSLFLIMSQI-GZMMTYOYSA-N 0 3 286.278 2.188 20 5 CEBDHN Cc1cc([N+](=O)[O-])cn(CCN2C[C@@H](C)C[C@H](C)C2)c1=O ZINC000567915915 395542593 /nfs/dbraw/zinc/54/25/93/395542593.db2.gz BTRYFZGVQLPCCP-RYUDHWBXSA-N 0 3 293.367 2.043 20 5 CEBDHN COc1cc(CN[C@H]2CCOC2(C)C)ccc1[N+](=O)[O-] ZINC000451241474 395597756 /nfs/dbraw/zinc/59/77/56/395597756.db2.gz KZCWAYROHQYSCI-ZDUSSCGKSA-N 0 3 280.324 2.261 20 5 CEBDHN CS[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000451320528 395606289 /nfs/dbraw/zinc/60/62/89/395606289.db2.gz LPJSBXMXKMUWRD-CYBMUJFWSA-N 0 3 282.365 2.411 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNCC[C@@H]1CCOC1 ZINC000220689677 153308520 /nfs/dbraw/zinc/30/85/20/153308520.db2.gz BVPAITNEYWDJKW-LLVKDONJSA-N 0 3 280.324 2.120 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](O)C1 ZINC000272260014 292295876 /nfs/dbraw/zinc/29/58/76/292295876.db2.gz BMRXDSDBTWSFND-WCQYABFASA-N 0 3 264.325 2.421 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@]23CCOC3)c1 ZINC000367456245 156190003 /nfs/dbraw/zinc/19/00/03/156190003.db2.gz BCFLOTHEFJZNQY-HNNXBMFYSA-N 0 3 292.335 2.229 20 5 CEBDHN N=C(NO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368477763 156349344 /nfs/dbraw/zinc/34/93/44/156349344.db2.gz LRBSXKPIJICVKO-GFCCVEGCSA-N 0 3 296.302 2.044 20 5 CEBDHN COCCC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000180414554 292377963 /nfs/dbraw/zinc/37/79/63/292377963.db2.gz PJTBISNRYPWEGH-LLVKDONJSA-N 0 3 252.314 2.500 20 5 CEBDHN CCCO[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236683 165158599 /nfs/dbraw/zinc/15/85/99/165158599.db2.gz ZMOLKQGZORRODR-CYBMUJFWSA-N 0 3 296.371 2.072 20 5 CEBDHN CO[C@H]1C[C@@H](CN(C)c2ccc([N+](=O)[O-])c(C)c2)N(C)C1 ZINC000284544503 196081443 /nfs/dbraw/zinc/08/14/43/196081443.db2.gz LXOARHWJIMKSQB-KBPBESRZSA-N 0 3 293.367 2.059 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C1CC1 ZINC000035142405 172009289 /nfs/dbraw/zinc/00/92/89/172009289.db2.gz NZIGZGFVLKTJRZ-VIFPVBQESA-N 0 3 250.298 2.492 20 5 CEBDHN COCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368208 172159817 /nfs/dbraw/zinc/15/98/17/172159817.db2.gz HMTQXVCUPWORSE-UHFFFAOYSA-N 0 3 258.705 2.374 20 5 CEBDHN C[C@H](NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177001 173010896 /nfs/dbraw/zinc/01/08/96/173010896.db2.gz ZLTXUHOMVFKIGR-GXFFZTMASA-N 0 3 250.298 2.424 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCOC1 ZINC000038044394 174052108 /nfs/dbraw/zinc/05/21/08/174052108.db2.gz LQMRHBYFMIRRHD-NSHDSACASA-N 0 3 250.298 2.111 20 5 CEBDHN C[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046444171 175396300 /nfs/dbraw/zinc/39/63/00/175396300.db2.gz UAIPSRUPIHFVGC-JSGCOSHPSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](CO)[C@H]2C)cc1[N+](=O)[O-] ZINC000425977204 264249024 /nfs/dbraw/zinc/24/90/24/264249024.db2.gz JSYUFSLAXRQHFF-YPMHNXCESA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](O)[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162233 270332733 /nfs/dbraw/zinc/33/27/33/270332733.db2.gz FZGRUZYYAUQXEI-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)(O)C(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000393620446 270343161 /nfs/dbraw/zinc/34/31/61/270343161.db2.gz QDRAITDYBIRYBG-UHFFFAOYSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CCO ZINC000428467924 271270371 /nfs/dbraw/zinc/27/03/71/271270371.db2.gz BXCKDAMUBSBSGN-ZDUSSCGKSA-N 0 3 264.325 2.250 20 5 CEBDHN CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000265654216 273740413 /nfs/dbraw/zinc/74/04/13/273740413.db2.gz ZMJUSZJXMKFBLJ-CYBMUJFWSA-N 0 3 293.367 2.331 20 5 CEBDHN COCCN1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000301778608 274034771 /nfs/dbraw/zinc/03/47/71/274034771.db2.gz QBVPXNXIKGOPLM-BETUJISGSA-N 0 3 293.367 2.140 20 5 CEBDHN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCN(C)C1 ZINC000297236865 277004205 /nfs/dbraw/zinc/00/42/05/277004205.db2.gz UKXOVLQAETXULC-NSHDSACASA-N 0 3 289.339 2.002 20 5 CEBDHN CN1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272232340 277179011 /nfs/dbraw/zinc/17/90/11/277179011.db2.gz UXKDWTZPLPQWPA-CABZTGNLSA-N 0 3 296.758 2.174 20 5 CEBDHN COC[C@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126472304 277597992 /nfs/dbraw/zinc/59/79/92/277597992.db2.gz LHRDRHJMQCEZBV-LBPRGKRZSA-N 0 3 250.298 2.109 20 5 CEBDHN C[C@H](CO)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131785606 278213856 /nfs/dbraw/zinc/21/38/56/278213856.db2.gz TYGHHZPXJZZGGX-VWYCJHECSA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](O)[C@@H](C)C1 ZINC000352767522 281022707 /nfs/dbraw/zinc/02/27/07/281022707.db2.gz BYZVZOKSTTWMOL-MJVIPROJSA-N 0 3 264.325 2.277 20 5 CEBDHN CC[C@H](N[C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424310862 281146366 /nfs/dbraw/zinc/14/63/66/281146366.db2.gz DBHYOCCSAQOCHD-YNEHKIRRSA-N 0 3 250.298 2.159 20 5 CEBDHN CN(C(=O)C12CCCN1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000374006612 288790415 /nfs/dbraw/zinc/79/04/15/288790415.db2.gz VDRIRVVPFHJCJK-UHFFFAOYSA-N 0 3 289.335 2.186 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000122272621 289051464 /nfs/dbraw/zinc/05/14/64/289051464.db2.gz ZAXXZKSBQOOHOJ-DGCLKSJQSA-N 0 3 275.352 2.310 20 5 CEBDHN Cc1cc(NC(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000455102243 289421914 /nfs/dbraw/zinc/42/19/14/289421914.db2.gz ZFUNPIPZNLUTPY-UHFFFAOYSA-N 0 3 294.355 2.365 20 5 CEBDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000282150620 289947155 /nfs/dbraw/zinc/94/71/55/289947155.db2.gz CRJFBAMCXZNDGM-OVWNDWIMSA-N 0 3 282.365 2.157 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000459745444 290225450 /nfs/dbraw/zinc/22/54/50/290225450.db2.gz SRHWQTULLZKMMY-YPMHNXCESA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1nc(N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000471723222 290279667 /nfs/dbraw/zinc/27/96/67/290279667.db2.gz DGRWJYMZHNBYGO-CABZTGNLSA-N 0 3 276.340 2.193 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)C1CC1 ZINC000539042726 298243782 /nfs/dbraw/zinc/24/37/82/298243782.db2.gz HQWRISKJBQYWRF-LLVKDONJSA-N 0 3 291.351 2.080 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000542522899 298291708 /nfs/dbraw/zinc/29/17/08/298291708.db2.gz YYHGSDPXGXYZFS-GFCCVEGCSA-N 0 3 282.340 2.364 20 5 CEBDHN Cc1ccnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286472909 302275180 /nfs/dbraw/zinc/27/51/80/302275180.db2.gz VZELDZGSCHDHDR-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCCC3)CC2)cn1 ZINC000515390673 313069259 /nfs/dbraw/zinc/06/92/59/313069259.db2.gz MHWOFDADKYKSRM-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN C[C@H](NCC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000157491049 533830814 /nfs/dbraw/zinc/83/08/14/533830814.db2.gz VDZWLKFRPBERBX-NSHDSACASA-N 0 3 264.325 2.408 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000411937109 534094221 /nfs/dbraw/zinc/09/42/21/534094221.db2.gz LTXSSQBGYQSSNZ-WCQYABFASA-N 0 3 291.351 2.066 20 5 CEBDHN CCC[C@@H](N[C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161359013 520791875 /nfs/dbraw/zinc/79/18/75/520791875.db2.gz HXZANXLDRAYDBS-ZWNOBZJWSA-N 0 3 279.340 2.290 20 5 CEBDHN C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650013 524925859 /nfs/dbraw/zinc/92/58/59/524925859.db2.gz JSBDAIVAYOVGRJ-VHSXEESVSA-N 0 3 290.323 2.128 20 5 CEBDHN CCN1CCC[C@@H]1CNc1cc(OC)ccc1[N+](=O)[O-] ZINC000133757806 529082138 /nfs/dbraw/zinc/08/21/38/529082138.db2.gz VSOGOMSEBUTNHL-LLVKDONJSA-N 0 3 279.340 2.500 20 5 CEBDHN Cc1c(C(=O)NCCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000742237541 575012793 /nfs/dbraw/zinc/01/27/93/575012793.db2.gz LQPIELIIYZBQNE-NSHDSACASA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cnc(NCCN2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742429519 575021746 /nfs/dbraw/zinc/02/17/46/575021746.db2.gz FFUCWPQMRZEOKI-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN COc1ccc(CNC2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000749295830 575212853 /nfs/dbraw/zinc/21/28/53/575212853.db2.gz JHFXXOCIZXREQU-UHFFFAOYSA-N 0 3 294.351 2.387 20 5 CEBDHN COC(C)(C)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932372491 622689123 /nfs/dbraw/zinc/68/91/23/622689123.db2.gz MMOMJMGYPSGYIF-VIFPVBQESA-N 0 3 292.339 2.374 20 5 CEBDHN Cc1ccc(OCCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813103372 623019698 /nfs/dbraw/zinc/01/96/98/623019698.db2.gz POMRLMMRIZFWJN-LBPRGKRZSA-N 0 3 281.308 2.281 20 5 CEBDHN Cc1nc(CC2CC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104786 623022748 /nfs/dbraw/zinc/02/27/48/623022748.db2.gz HKHFOFLNQJBYFX-SSDOTTSWSA-N 0 3 284.337 2.226 20 5 CEBDHN CC(COC(=O)c1coc(C2CCCC2)n1)[N+](=O)[O-] ZINC000813107408 623037946 /nfs/dbraw/zinc/03/79/46/623037946.db2.gz NASOKKYZPDLHBN-QMMMGPOBSA-N 0 3 268.269 2.154 20 5 CEBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813108868 623042704 /nfs/dbraw/zinc/04/27/04/623042704.db2.gz MIOQPQQJHHARJW-JTQLQIEISA-N 0 3 276.292 2.483 20 5 CEBDHN CC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931774364 628842780 /nfs/dbraw/zinc/84/27/80/628842780.db2.gz XJMZBQFDPCUAON-VIFPVBQESA-N 0 3 292.257 2.474 20 5 CEBDHN C[C@H](CNCc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC000897470110 631538191 /nfs/dbraw/zinc/53/81/91/631538191.db2.gz YJIVDAKJAKYQQH-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1c(F)cccc1F)[N+](=O)[O-] ZINC000813104360 632622640 /nfs/dbraw/zinc/62/26/40/632622640.db2.gz ZCXYSPLMMSRMSB-YUMQZZPRSA-N 0 3 273.235 2.277 20 5 CEBDHN CC(COC(=O)c1cc(Cl)ccc1F)[N+](=O)[O-] ZINC000813103947 632622813 /nfs/dbraw/zinc/62/28/13/632622813.db2.gz VCTXQMXSVPGHPM-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813105504 632623426 /nfs/dbraw/zinc/62/34/26/632623426.db2.gz NKAPZPWKGHNXOW-SECBINFHSA-N 0 3 296.279 2.081 20 5 CEBDHN CC(COC(=O)C[C@H]1CCc2ccccc21)[N+](=O)[O-] ZINC000813106179 632623739 /nfs/dbraw/zinc/62/37/39/632623739.db2.gz ZXUBXDPLCXBTOB-ZYHUDNBSSA-N 0 3 263.293 2.315 20 5 CEBDHN CC(COC(=O)c1ccn(C2CCCCC2)n1)[N+](=O)[O-] ZINC000813105540 632623980 /nfs/dbraw/zinc/62/39/80/632623980.db2.gz OFHLLNGKGVKVEY-SNVBAGLBSA-N 0 3 281.312 2.210 20 5 CEBDHN CCCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106647 632624995 /nfs/dbraw/zinc/62/49/95/632624995.db2.gz FNWPQUVUOCBHOJ-SNVBAGLBSA-N 0 3 251.282 2.461 20 5 CEBDHN COc1ccc(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109338 632625715 /nfs/dbraw/zinc/62/57/15/632625715.db2.gz IJDWLOPXYBVAMU-WDEREUQCSA-N 0 3 281.308 2.082 20 5 CEBDHN CC(COC(=O)c1csc(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813110554 632626266 /nfs/dbraw/zinc/62/62/66/632626266.db2.gz DGJDXBHOZNEASD-SSDOTTSWSA-N 0 3 272.326 2.263 20 5 CEBDHN CC(COC(=O)/C=C/c1ccnc2ccccc12)[N+](=O)[O-] ZINC000813110278 632626630 /nfs/dbraw/zinc/62/66/30/632626630.db2.gz WJPRKFWTFXMBBK-XUIVZRPNSA-N 0 3 286.287 2.456 20 5 CEBDHN CC(COC(=O)[C@@H](C)Oc1cccc(Cl)c1)[N+](=O)[O-] ZINC000813109650 632626667 /nfs/dbraw/zinc/62/66/67/632626667.db2.gz NMIHTHLMVFVYCF-RKDXNWHRSA-N 0 3 287.699 2.316 20 5 CEBDHN CCSc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813112533 632627880 /nfs/dbraw/zinc/62/78/80/632627880.db2.gz HVBDQOCGEBIASJ-QMMMGPOBSA-N 0 3 270.310 2.016 20 5 CEBDHN CCC(CC)n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813113405 632628774 /nfs/dbraw/zinc/62/87/74/632628774.db2.gz DDOWOXDROFOQQL-VIFPVBQESA-N 0 3 269.301 2.066 20 5 CEBDHN COc1ccc2c(CC(=O)OCC(C)[N+](=O)[O-])coc2c1 ZINC000813115743 632629620 /nfs/dbraw/zinc/62/96/20/632629620.db2.gz ZAXJQYPPVGKEGT-SECBINFHSA-N 0 3 293.275 2.192 20 5 CEBDHN O=[N+]([O-])CCNCCn1ccc2cc(Cl)ccc21 ZINC000905254626 636176889 /nfs/dbraw/zinc/17/68/89/636176889.db2.gz DLZMZTKFCOHGMU-UHFFFAOYSA-N 0 3 267.716 2.161 20 5 CEBDHN CC(C)O[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000828838206 636696822 /nfs/dbraw/zinc/69/68/22/636696822.db2.gz ZLYRFIXWUSAZLS-CABCVRRESA-N 0 3 294.351 2.128 20 5 CEBDHN Cc1c(CNC[C@@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000231885346 639881671 /nfs/dbraw/zinc/88/16/71/639881671.db2.gz IRCNGVSWLCYWTK-CYBMUJFWSA-N 0 3 276.292 2.319 20 5 CEBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000845673677 641045058 /nfs/dbraw/zinc/04/50/58/641045058.db2.gz ISRVYRJSINHRFG-NSHDSACASA-N 0 3 278.308 2.236 20 5 CEBDHN COc1ccc2c(c1)[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCC2 ZINC000847714083 641748139 /nfs/dbraw/zinc/74/81/39/641748139.db2.gz KCOALXAPJIPFIH-GWCFXTLKSA-N 0 3 293.319 2.324 20 5 CEBDHN Cn1cc(CN2CCCCCCCC2)c([N+](=O)[O-])n1 ZINC000877569683 650794280 /nfs/dbraw/zinc/79/42/80/650794280.db2.gz XEHSQFZYRCWZDX-UHFFFAOYSA-N 0 3 266.345 2.485 20 5 CEBDHN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccns1 ZINC000877659688 650838201 /nfs/dbraw/zinc/83/82/01/650838201.db2.gz ZMFVAZVBPSOLEE-XNWIYYODSA-N 0 3 293.352 2.302 20 5 CEBDHN CCOc1cccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776732 645902711 /nfs/dbraw/zinc/90/27/11/645902711.db2.gz HOKHIGCJLLERFT-WSKFYRRCSA-N 0 3 279.292 2.307 20 5 CEBDHN Cc1ccc([C@H](C)NCCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000775549910 646964986 /nfs/dbraw/zinc/96/49/86/646964986.db2.gz RQDYHBFCENPLEI-NSHDSACASA-N 0 3 293.323 2.006 20 5 CEBDHN CC1(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590940 647076118 /nfs/dbraw/zinc/07/61/18/647076118.db2.gz KPEUNGUWMLTIRA-LBPRGKRZSA-N 0 3 250.298 2.113 20 5 CEBDHN Cc1ccc(CNC[C@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000872232025 649323017 /nfs/dbraw/zinc/32/30/17/649323017.db2.gz XLURNSLXTWXPCN-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN CCCNC(=O)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873022989 649534536 /nfs/dbraw/zinc/53/45/36/649534536.db2.gz VNZSLHUPSVPSRQ-UHFFFAOYSA-N 0 3 293.367 2.218 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000873130380 649565155 /nfs/dbraw/zinc/56/51/55/649565155.db2.gz CVFXWJJDGXXPQQ-CMPLNLGQSA-N 0 3 288.294 2.397 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC1(O)CCC1 ZINC000127405432 806290056 /nfs/dbraw/zinc/29/00/56/806290056.db2.gz KDRJGVRUCFYESP-UHFFFAOYSA-N 0 3 270.716 2.253 20 5 CEBDHN CCN1CC[C@H](Oc2cccc(F)c2[N+](=O)[O-])C1 ZINC001225664654 805108353 /nfs/dbraw/zinc/10/83/53/805108353.db2.gz RASNRZTVXVALEA-VIFPVBQESA-N 0 3 254.261 2.207 20 5 CEBDHN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225912787 805374891 /nfs/dbraw/zinc/37/48/91/805374891.db2.gz OEWQHUCDFHOSGJ-JTQLQIEISA-N 0 3 254.261 2.207 20 5 CEBDHN C[C@H](N[C@@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896471 809999710 /nfs/dbraw/zinc/99/97/10/809999710.db2.gz BGDJOGJQVANBGR-JBLDHEPKSA-N 0 3 250.298 2.280 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc([O-])cc2F)C1 ZINC001168988125 811337477 /nfs/dbraw/zinc/33/74/77/811337477.db2.gz OBCFQVWZWZABNB-ONGXEEELSA-N 0 3 268.288 2.066 20 5 CEBDHN COc1cc(-n2ccc([C@@H](C)N)n2)cc([N+](=O)[O-])c1C ZINC001169232750 811447789 /nfs/dbraw/zinc/44/77/89/811447789.db2.gz KAYNFRJXHZAKPU-SECBINFHSA-N 0 3 276.296 2.117 20 5 CEBDHN Cc1c(C)c(N2C[C@H]3CCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157266468 812063451 /nfs/dbraw/zinc/06/34/51/812063451.db2.gz SRSUYFYEFVADEH-OCCSQVGLSA-N 0 3 290.367 2.137 20 5 CEBDHN CN1CC(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC001170256352 812363593 /nfs/dbraw/zinc/36/35/93/812363593.db2.gz HUWMMEUWCYJCKW-UHFFFAOYSA-N 0 3 272.308 2.117 20 5 CEBDHN COc1ccc(C[C@@H](C)N2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336192 812390459 /nfs/dbraw/zinc/39/04/59/812390459.db2.gz VQXRJHQXKLOGGX-RISCZKNCSA-N 0 3 294.351 2.255 20 5 CEBDHN CN1CC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000712555792 814766053 /nfs/dbraw/zinc/76/60/53/814766053.db2.gz HLNYXDOPEQSIBZ-GFCCVEGCSA-N 0 3 272.308 2.259 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(CN)c1 ZINC001173209351 815635363 /nfs/dbraw/zinc/63/53/63/815635363.db2.gz BONQVHQUPCWZBZ-SNVBAGLBSA-N 0 3 260.297 2.054 20 5 CEBDHN Cc1ccc(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000036964535 816378535 /nfs/dbraw/zinc/37/85/35/816378535.db2.gz HKUHDTGJPGVLOL-ZDUSSCGKSA-N 0 3 261.325 2.409 20 5 CEBDHN CC[C@@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721141 361852260 /nfs/dbraw/zinc/85/22/60/361852260.db2.gz LQSJEGWTTKKUMC-AAEUAGOBSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](NC(=O)C1(N)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766590 361932564 /nfs/dbraw/zinc/93/25/64/361932564.db2.gz PCBZHLCJZBBESR-JTQLQIEISA-N 0 3 277.324 2.044 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCN2CCCCC2)c1 ZINC000042314589 362082397 /nfs/dbraw/zinc/08/23/97/362082397.db2.gz DXNHMXLCTPYDPV-UHFFFAOYSA-N 0 3 263.341 2.170 20 5 CEBDHN CC(C)C[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766528 343431064 /nfs/dbraw/zinc/43/10/64/343431064.db2.gz APXYSQTXUNTTLE-GXFFZTMASA-N 0 3 279.340 2.145 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CC[C@@H](CO)C1 ZINC000294991129 199288179 /nfs/dbraw/zinc/28/81/79/199288179.db2.gz HMYBLMNIPCTKIF-SKDRFNHKSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1c(C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000046855243 343504621 /nfs/dbraw/zinc/50/46/21/343504621.db2.gz VSBDHOJNQKZDQH-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN CN1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068045516 343752695 /nfs/dbraw/zinc/75/26/95/343752695.db2.gz OKYYUALTHSOOPH-UHFFFAOYSA-N 0 3 269.732 2.390 20 5 CEBDHN CC1(C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076014248 343876174 /nfs/dbraw/zinc/87/61/74/343876174.db2.gz IHWLQINQSUFYJU-ZDUSSCGKSA-N 0 3 294.351 2.066 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049096448 362338610 /nfs/dbraw/zinc/33/86/10/362338610.db2.gz ZQWHVPRXIQKNGH-SNVBAGLBSA-N 0 3 297.742 2.072 20 5 CEBDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000090413100 344139696 /nfs/dbraw/zinc/13/96/96/344139696.db2.gz BEXRFFFGRZYEID-FZMZJTMJSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1ccc(CN(C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144069 344215188 /nfs/dbraw/zinc/21/51/88/344215188.db2.gz ZQLNKMRHECJKRV-GFCCVEGCSA-N 0 3 266.341 2.494 20 5 CEBDHN C[C@@H](CO)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000121624510 344303922 /nfs/dbraw/zinc/30/39/22/344303922.db2.gz SBNIMAAFKADCLF-LLVKDONJSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)(O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145852753 344409783 /nfs/dbraw/zinc/40/97/83/344409783.db2.gz BOWVGZMQELWCOX-CYBMUJFWSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@H](NCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000211108502 344531536 /nfs/dbraw/zinc/53/15/36/344531536.db2.gz CADXFFPPWORCBO-JTQLQIEISA-N 0 3 250.298 2.018 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1CCC(O)CC1 ZINC000227651386 344556119 /nfs/dbraw/zinc/55/61/19/344556119.db2.gz BLAFVEBASKPQGN-UHFFFAOYSA-N 0 3 264.325 2.236 20 5 CEBDHN CC[C@@H](N)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229926703 344569817 /nfs/dbraw/zinc/56/98/17/344569817.db2.gz PWEQQGCUXVUSKO-MRVPVSSYSA-N 0 3 281.703 2.239 20 5 CEBDHN COCCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602512531 347062498 /nfs/dbraw/zinc/06/24/98/347062498.db2.gz BWWMYSSBWXTUJL-UHFFFAOYSA-N 0 3 279.296 2.252 20 5 CEBDHN Cc1ccc(CN(C)C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589196414 345071049 /nfs/dbraw/zinc/07/10/49/345071049.db2.gz AFBBOKUMYOZMIO-AWEZNQCLSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H]1CN(c2cccnc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000589877315 345103934 /nfs/dbraw/zinc/10/39/34/345103934.db2.gz QMYOHBYWWCWOMJ-GFCCVEGCSA-N 0 3 290.367 2.300 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@@H](CO)CC1 ZINC000590646742 345155237 /nfs/dbraw/zinc/15/52/37/345155237.db2.gz CQFOPHUMFWLVFH-BJHJDKERSA-N 0 3 264.325 2.236 20 5 CEBDHN CC(C)N1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591144274 345224294 /nfs/dbraw/zinc/22/42/94/345224294.db2.gz FCCBWDAPAQHDKB-UHFFFAOYSA-N 0 3 282.319 2.049 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1ccsc1[N+](=O)[O-] ZINC000591464228 345259629 /nfs/dbraw/zinc/25/96/29/345259629.db2.gz RKEOJDXRGBDCFB-VIFPVBQESA-N 0 3 255.343 2.187 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CO)CCF ZINC000593718623 345526603 /nfs/dbraw/zinc/52/66/03/345526603.db2.gz NLGSQIMGMCNMMK-GHMZBOCLSA-N 0 3 270.304 2.274 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000059035279 362645943 /nfs/dbraw/zinc/64/59/43/362645943.db2.gz NMNHGCLMBWICFW-JTQLQIEISA-N 0 3 265.288 2.383 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC/C=C\CO ZINC000595074884 345739990 /nfs/dbraw/zinc/73/99/90/345739990.db2.gz XKOHQMUJPACPKL-DLRQAJBASA-N 0 3 250.298 2.102 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC/C=C/CO ZINC000594974227 345720254 /nfs/dbraw/zinc/72/02/54/345720254.db2.gz ITHQZDZLRCXCFX-LDEIZCIFSA-N 0 3 262.309 2.136 20 5 CEBDHN Cc1ccc(CN[C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000594988541 345722863 /nfs/dbraw/zinc/72/28/63/345722863.db2.gz QJFAFSGEMYGUDV-KBPBESRZSA-N 0 3 276.336 2.296 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)CO ZINC000595021008 345728674 /nfs/dbraw/zinc/72/86/74/345728674.db2.gz BULPLUJOXROVMC-JTQLQIEISA-N 0 3 282.340 2.273 20 5 CEBDHN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000595407146 345775441 /nfs/dbraw/zinc/77/54/41/345775441.db2.gz HYTBEXRJQJIEFS-MNOVXSKESA-N 0 3 281.331 2.258 20 5 CEBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456514 345787410 /nfs/dbraw/zinc/78/74/10/345787410.db2.gz YZPLZQRVHLSCAX-TVQRCGJNSA-N 0 3 268.288 2.391 20 5 CEBDHN C[C@H]1OCC[C@]1(C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456513 345787461 /nfs/dbraw/zinc/78/74/61/345787461.db2.gz YZPLZQRVHLSCAX-RNCFNFMXSA-N 0 3 268.288 2.391 20 5 CEBDHN Cc1c(CN[C@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595615483 345828313 /nfs/dbraw/zinc/82/83/13/345828313.db2.gz HJRVILJXEBYVRO-CYBMUJFWSA-N 0 3 264.325 2.154 20 5 CEBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1O ZINC000595748824 345865020 /nfs/dbraw/zinc/86/50/20/345865020.db2.gz IBMDJLPBOPLPON-GHMZBOCLSA-N 0 3 264.325 2.044 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595805987 345879612 /nfs/dbraw/zinc/87/96/12/345879612.db2.gz CLXHDGNRIJXPMG-VXGBXAGGSA-N 0 3 262.309 2.315 20 5 CEBDHN CC12CC(C1)CN2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595915035 345912590 /nfs/dbraw/zinc/91/25/90/345912590.db2.gz IEAYYBBPDXWAPL-UHFFFAOYSA-N 0 3 262.309 2.458 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597047273 346120186 /nfs/dbraw/zinc/12/01/86/346120186.db2.gz PWUCLEQAWXCITA-GXTWGEPZSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597052420 346120691 /nfs/dbraw/zinc/12/06/91/346120691.db2.gz BTWCEEVRFCUNPO-SWLSCSKDSA-N 0 3 292.335 2.131 20 5 CEBDHN Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000597232806 346156428 /nfs/dbraw/zinc/15/64/28/346156428.db2.gz XOXOTCPKHLYHCA-KBPBESRZSA-N 0 3 276.336 2.372 20 5 CEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597926113 346254758 /nfs/dbraw/zinc/25/47/58/346254758.db2.gz VSTIELJGGFIJSY-SNVBAGLBSA-N 0 3 297.380 2.259 20 5 CEBDHN COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000062070271 362703550 /nfs/dbraw/zinc/70/35/50/362703550.db2.gz LLCGGRQGSBJQFR-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676751 346399009 /nfs/dbraw/zinc/39/90/09/346399009.db2.gz KEFWSCZSXZKNTM-RISCZKNCSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598645326 346391263 /nfs/dbraw/zinc/39/12/63/346391263.db2.gz GUNRDPLYBUANNU-AAEUAGOBSA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCc3nccc(N)c3C2)c1 ZINC000598941510 346435078 /nfs/dbraw/zinc/43/50/78/346435078.db2.gz FKNMTPHLMKLVRJ-UHFFFAOYSA-N 0 3 284.319 2.443 20 5 CEBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000602600198 347094714 /nfs/dbraw/zinc/09/47/14/347094714.db2.gz NJHMIRXNTGSIHF-WXHSDQCUSA-N 0 3 278.356 2.339 20 5 CEBDHN C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000601169605 346775785 /nfs/dbraw/zinc/77/57/85/346775785.db2.gz DLXKHGSYLFMZEI-JTQLQIEISA-N 0 3 294.330 2.049 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C)[C@@H]1C ZINC000602787517 347197933 /nfs/dbraw/zinc/19/79/33/347197933.db2.gz ZCVDMDDYDWPRBJ-QWRGUYRKSA-N 0 3 266.345 2.220 20 5 CEBDHN C[C@@H](NC[C@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802049 347204764 /nfs/dbraw/zinc/20/47/64/347204764.db2.gz OLDDZYCZLJZUAU-ZWNOBZJWSA-N 0 3 287.323 2.024 20 5 CEBDHN CCSCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733901 347177399 /nfs/dbraw/zinc/17/73/99/347177399.db2.gz XIDRRNAGQBZAQC-ZDUSSCGKSA-N 0 3 284.381 2.145 20 5 CEBDHN C[C@@H]1OCC[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000602760404 347187128 /nfs/dbraw/zinc/18/71/28/347187128.db2.gz SSIFYDFOFOMEGM-NWDGAFQWSA-N 0 3 264.325 2.452 20 5 CEBDHN Cc1cc(NC(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000602928086 347249793 /nfs/dbraw/zinc/24/97/93/347249793.db2.gz XDBNEEBRGCOMBO-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN Cc1cc(NC[C@H]2CSCCN2)c([N+](=O)[O-])s1 ZINC000603419376 347365877 /nfs/dbraw/zinc/36/58/77/347365877.db2.gz NBFBALPXYUOKDW-QMMMGPOBSA-N 0 3 273.383 2.082 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000610390218 347678006 /nfs/dbraw/zinc/67/80/06/347678006.db2.gz LFEGCUHHWXILMN-UHFFFAOYSA-N 0 3 250.298 2.063 20 5 CEBDHN C[C@H](NCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420509 347680018 /nfs/dbraw/zinc/68/00/18/347680018.db2.gz CWRXTCOJSQNTEL-STQMWFEESA-N 0 3 294.351 2.299 20 5 CEBDHN COC[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610605214 347695421 /nfs/dbraw/zinc/69/54/21/347695421.db2.gz QNOJIJQMURNZLU-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN CC(C)CN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253930 347759298 /nfs/dbraw/zinc/75/92/98/347759298.db2.gz YZXGBUJWAUVZPC-UHFFFAOYSA-N 0 3 280.324 2.454 20 5 CEBDHN C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467289 179296985 /nfs/dbraw/zinc/29/69/85/179296985.db2.gz ZHIJXTVRWOMMDA-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1c(CNCC2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000087028860 179382517 /nfs/dbraw/zinc/38/25/17/179382517.db2.gz LRQZAQVGOMODOF-UHFFFAOYSA-N 0 3 264.325 2.298 20 5 CEBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000619651986 349209717 /nfs/dbraw/zinc/20/97/17/349209717.db2.gz YPLJTFFHRTYSDY-UHFFFAOYSA-N 0 3 298.412 2.094 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000619567079 349199899 /nfs/dbraw/zinc/19/98/99/349199899.db2.gz MTYVEPNPEXNLOS-CYBMUJFWSA-N 0 3 291.351 2.151 20 5 CEBDHN CSC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223825125 539731247 /nfs/dbraw/zinc/73/12/47/539731247.db2.gz AHYOZPFHQURLRZ-GWCFXTLKSA-N 0 3 284.381 2.359 20 5 CEBDHN Cc1cnc(NC[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000090692234 180024464 /nfs/dbraw/zinc/02/44/64/180024464.db2.gz LUGUKOORRSGPOJ-NSHDSACASA-N 0 3 264.329 2.052 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCCO[C@H](CF)C2)cc1 ZINC000411866049 233294482 /nfs/dbraw/zinc/29/44/82/233294482.db2.gz WYIOJFCVPFPLTL-CQSZACIVSA-N 0 3 282.315 2.198 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091672583 180224109 /nfs/dbraw/zinc/22/41/09/180224109.db2.gz AODNJKHTYOVYTB-ZIAGYGMSSA-N 0 3 291.351 2.178 20 5 CEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000106904344 186148102 /nfs/dbraw/zinc/14/81/02/186148102.db2.gz ZMGVYCPVKXQPPA-UHFFFAOYSA-N 0 3 277.324 2.068 20 5 CEBDHN CCN(C[C@@H](C)O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352204396 219359800 /nfs/dbraw/zinc/35/98/00/219359800.db2.gz XPUPIDHHLKBVAB-GHMZBOCLSA-N 0 3 252.314 2.359 20 5 CEBDHN CN(CC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109131039 186243949 /nfs/dbraw/zinc/24/39/49/186243949.db2.gz QNQJIDDTJHBYPT-AWEZNQCLSA-N 0 3 289.335 2.042 20 5 CEBDHN CC[C@@H](N[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131200906 366029021 /nfs/dbraw/zinc/02/90/21/366029021.db2.gz MJEKYZMSVIYCCA-DGCLKSJQSA-N 0 3 250.298 2.424 20 5 CEBDHN CO[C@@]1(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOC1 ZINC000123192684 187076637 /nfs/dbraw/zinc/07/66/37/187076637.db2.gz SXTOKOMDMVRIAS-IUODEOHRSA-N 0 3 294.351 2.359 20 5 CEBDHN CC(C)=CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665251 363155362 /nfs/dbraw/zinc/15/53/62/363155362.db2.gz VBLFNVPMFYQJFQ-GFCCVEGCSA-N 0 3 276.340 2.442 20 5 CEBDHN Cc1c(CN(C)C2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000292164536 198187802 /nfs/dbraw/zinc/18/78/02/198187802.db2.gz OWLPTGHJKOFXCH-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000155149448 188186963 /nfs/dbraw/zinc/18/69/63/188186963.db2.gz LRRHTBLXLVWZOD-ONGXEEELSA-N 0 3 268.288 2.249 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(NCCN(C)C2CC2)c1 ZINC000155812730 188228713 /nfs/dbraw/zinc/22/87/13/188228713.db2.gz VMLHLDXOIKRRDO-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000272232350 283079046 /nfs/dbraw/zinc/07/90/46/283079046.db2.gz UXKDWTZPLPQWPA-SKDRFNHKSA-N 0 3 296.758 2.174 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](CCCO)C2)cc1 ZINC000452134527 283199655 /nfs/dbraw/zinc/19/96/55/283199655.db2.gz URJLPXOEJGDWIM-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN CC1(C)COC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000312961894 535362365 /nfs/dbraw/zinc/36/23/65/535362365.db2.gz AZFKCNCERXSTRA-LBPRGKRZSA-N 0 3 250.298 2.109 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000294829745 199201492 /nfs/dbraw/zinc/20/14/92/199201492.db2.gz PULXIKROMXDICN-UHFFFAOYSA-N 0 3 252.314 2.045 20 5 CEBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135203937 366408692 /nfs/dbraw/zinc/40/86/92/366408692.db2.gz ZEUKLMHNXDNVEU-PSASIEDQSA-N 0 3 256.327 2.171 20 5 CEBDHN CCC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135463188 366442069 /nfs/dbraw/zinc/44/20/69/366442069.db2.gz QGBPIXAGUOLSJH-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469211 366444473 /nfs/dbraw/zinc/44/44/73/366444473.db2.gz RRGOZTQRBFMJRR-ZYHUDNBSSA-N 0 3 252.314 2.406 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](CN(C)C)C1 ZINC000338688082 366469587 /nfs/dbraw/zinc/46/95/87/366469587.db2.gz AAXPFXGRPBHLKH-GFCCVEGCSA-N 0 3 291.351 2.185 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000338687373 366469799 /nfs/dbraw/zinc/46/97/99/366469799.db2.gz INGYLXMQRXELKX-JQWIXIFHSA-N 0 3 279.340 2.498 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(C)CCCCN1 ZINC000136166845 366500636 /nfs/dbraw/zinc/50/06/36/366500636.db2.gz VIMODLKNBRYHDJ-HNNXBMFYSA-N 0 3 291.351 2.085 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236968391 370668443 /nfs/dbraw/zinc/66/84/43/370668443.db2.gz URAZYYLNYWZBGL-UDZFHETQSA-N 0 3 293.367 2.454 20 5 CEBDHN CC[C@@H](NCC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539715 189200860 /nfs/dbraw/zinc/20/08/60/189200860.db2.gz KJYDVUNCGFULKT-ZIAGYGMSSA-N 0 3 282.340 2.033 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)C(C)C ZINC000342206811 216260556 /nfs/dbraw/zinc/26/05/56/216260556.db2.gz JTTCGGAMUNHYMS-CYBMUJFWSA-N 0 3 296.367 2.348 20 5 CEBDHN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000180451344 189255968 /nfs/dbraw/zinc/25/59/68/189255968.db2.gz HSLPSXXPWVEZBF-UHFFFAOYSA-N 0 3 279.340 2.313 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153912916 366743568 /nfs/dbraw/zinc/74/35/68/366743568.db2.gz XNLIAYUBWNRMFP-ONGXEEELSA-N 0 3 298.774 2.420 20 5 CEBDHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000237094013 370689799 /nfs/dbraw/zinc/68/97/99/370689799.db2.gz URAZYYLNYWZBGL-NURSFMCSSA-N 0 3 293.367 2.454 20 5 CEBDHN CCCCN1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340149278 366783986 /nfs/dbraw/zinc/78/39/86/366783986.db2.gz MTKXIWHHTZBUES-ZDUSSCGKSA-N 0 3 292.383 2.478 20 5 CEBDHN Cn1cc(CCNCc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000084439886 363809401 /nfs/dbraw/zinc/80/94/01/363809401.db2.gz OCHPAJNIDCBUHN-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](N2CCCC2)C1 ZINC000103481485 364659023 /nfs/dbraw/zinc/65/90/23/364659023.db2.gz ZASYTKYAVSCNJS-GFCCVEGCSA-N 0 3 293.342 2.404 20 5 CEBDHN C[C@@H](N[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793727 364845299 /nfs/dbraw/zinc/84/52/99/364845299.db2.gz NLQOKHYBXLKJCI-PWSUYJOCSA-N 0 3 250.298 2.424 20 5 CEBDHN CCC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000120924686 365497360 /nfs/dbraw/zinc/49/73/60/365497360.db2.gz MJHSPMYNSLVUQA-GFCCVEGCSA-N 0 3 266.345 2.303 20 5 CEBDHN C[C@@]1(F)CNCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000583253156 367022264 /nfs/dbraw/zinc/02/22/64/367022264.db2.gz HWEIBJQLHQLCPG-GFCCVEGCSA-N 0 3 287.722 2.386 20 5 CEBDHN CCC(CC)(CO)CNCc1ccccc1[N+](=O)[O-] ZINC000161566191 367097196 /nfs/dbraw/zinc/09/71/96/367097196.db2.gz ZMVOMBAEZKJAKU-UHFFFAOYSA-N 0 3 266.341 2.483 20 5 CEBDHN CNC(=O)[C@@H](C)CN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245534492 370833482 /nfs/dbraw/zinc/83/34/82/370833482.db2.gz VZEMMVNZFXUZJC-NWDGAFQWSA-N 0 3 293.367 2.278 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172605165 367786417 /nfs/dbraw/zinc/78/64/17/367786417.db2.gz ZINYUUHTNAKCBK-ONGXEEELSA-N 0 3 297.380 2.069 20 5 CEBDHN COc1cc(N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343594480 367904771 /nfs/dbraw/zinc/90/47/71/367904771.db2.gz LBNCYNSKDLNHMK-CMPLNLGQSA-N 0 3 279.340 2.498 20 5 CEBDHN Cc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176192528 368210443 /nfs/dbraw/zinc/21/04/43/368210443.db2.gz YQRVVIBNDGLMPE-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN COC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000346692065 368774433 /nfs/dbraw/zinc/77/44/33/368774433.db2.gz XNQVOHIPMJHTLK-YPMHNXCESA-N 0 3 292.335 2.287 20 5 CEBDHN Cc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348543103 369079937 /nfs/dbraw/zinc/07/99/37/369079937.db2.gz FSXLXOAMSBEAPH-GXTWGEPZSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348543105 369080259 /nfs/dbraw/zinc/08/02/59/369080259.db2.gz FSXLXOAMSBEAPH-OCCSQVGLSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C(C)(C)C1 ZINC000448370578 261131631 /nfs/dbraw/zinc/13/16/31/261131631.db2.gz JKOQHFOKXCLQAC-CYBMUJFWSA-N 0 3 264.325 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@H](O)C2)c(Cl)c1 ZINC000188847233 369418046 /nfs/dbraw/zinc/41/80/46/369418046.db2.gz ROQKPGDXDRDZKC-SKDRFNHKSA-N 0 3 284.743 2.499 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000189633313 369551082 /nfs/dbraw/zinc/55/10/82/369551082.db2.gz DDBKLZYYJBOCCQ-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1cc(-c2noc([C@H]3CCN(C)C3)n2)cc([N+](=O)[O-])c1 ZINC000351150075 369613255 /nfs/dbraw/zinc/61/32/55/369613255.db2.gz SMHODNSOEMDXKM-JTQLQIEISA-N 0 3 288.307 2.372 20 5 CEBDHN C[C@@H]1CSCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000190463219 369626779 /nfs/dbraw/zinc/62/67/79/369626779.db2.gz LJOCEQXJKGKKEF-FZMZJTMJSA-N 0 3 296.392 2.313 20 5 CEBDHN CN(CCCCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276521890 193366139 /nfs/dbraw/zinc/36/61/39/193366139.db2.gz CFHZDPIJOGBPRC-UHFFFAOYSA-N 0 3 272.732 2.453 20 5 CEBDHN COC[C@@H](CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715804 370382574 /nfs/dbraw/zinc/38/25/74/370382574.db2.gz RWPYRSGTSVKYQQ-WCQYABFASA-N 0 3 282.340 2.215 20 5 CEBDHN C[C@@H](O)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000227960239 370389464 /nfs/dbraw/zinc/38/94/64/370389464.db2.gz WKMNZIUTDWEODA-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCSC2)cs1 ZINC000228558628 370406153 /nfs/dbraw/zinc/40/61/53/370406153.db2.gz IZUPSWYERJANBO-QMMMGPOBSA-N 0 3 258.368 2.499 20 5 CEBDHN CC[C@](C)(CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000230221999 370446750 /nfs/dbraw/zinc/44/67/50/370446750.db2.gz INFFVOMYJNYRMR-CYBMUJFWSA-N 0 3 252.314 2.236 20 5 CEBDHN CC[C@H](NCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358343720 371023960 /nfs/dbraw/zinc/02/39/60/371023960.db2.gz UAEXNWOMJHLTLF-AWEZNQCLSA-N 0 3 263.341 2.341 20 5 CEBDHN CCOc1ccc([C@@H](C)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000358346567 371026621 /nfs/dbraw/zinc/02/66/21/371026621.db2.gz RONZWEMEUSGPIF-GFCCVEGCSA-N 0 3 293.367 2.350 20 5 CEBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000254955435 371543352 /nfs/dbraw/zinc/54/33/52/371543352.db2.gz ZWGYJJCMMRSSOJ-VURMDHGXSA-N 0 3 292.335 2.493 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCN(C2CC2)CC1 ZINC000255657283 371595384 /nfs/dbraw/zinc/59/53/84/371595384.db2.gz JWQPQHLGJLPCAV-HYXAFXHYSA-N 0 3 287.363 2.388 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCNCc1cncc(F)c1 ZINC000344058790 217031965 /nfs/dbraw/zinc/03/19/65/217031965.db2.gz FOTYXVYDFAQWHG-UHFFFAOYSA-N 0 3 275.283 2.461 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)C(C)C)c1 ZINC000269748172 372555005 /nfs/dbraw/zinc/55/50/05/372555005.db2.gz ZFWYHNJYIKHUEB-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC[C@H](C)CO ZINC000270307878 372735742 /nfs/dbraw/zinc/73/57/42/372735742.db2.gz UJNYTJUQTQXBMM-LBPRGKRZSA-N 0 3 296.367 2.492 20 5 CEBDHN CC[C@@H](O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505321 299443244 /nfs/dbraw/zinc/44/32/44/299443244.db2.gz DYNPDFRUMSAILV-MFKMUULPSA-N 0 3 264.325 2.333 20 5 CEBDHN CCN(CCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272363935 373449381 /nfs/dbraw/zinc/44/93/81/373449381.db2.gz SPAOPISKJLDILM-LLVKDONJSA-N 0 3 252.314 2.278 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]3COC[C@H]32)c1 ZINC000370231700 373612302 /nfs/dbraw/zinc/61/23/02/373612302.db2.gz FNYNYNBNPJJWFH-SWLSCSKDSA-N 0 3 292.335 2.084 20 5 CEBDHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000274376827 373901313 /nfs/dbraw/zinc/90/13/13/373901313.db2.gz RQXURRCMZHCSGJ-UHFFFAOYSA-N 0 3 251.330 2.371 20 5 CEBDHN Cc1cc(NC(=O)NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000274802598 374055180 /nfs/dbraw/zinc/05/51/80/374055180.db2.gz KSISJXZYQPOXTQ-LBPRGKRZSA-N 0 3 292.339 2.119 20 5 CEBDHN CCOc1cc(CN[C@@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000276984185 374368984 /nfs/dbraw/zinc/36/89/84/374368984.db2.gz YTCOSTPTXAYHDR-ZDUSSCGKSA-N 0 3 296.367 2.490 20 5 CEBDHN CCCN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000377481460 374862389 /nfs/dbraw/zinc/86/23/89/374862389.db2.gz KVMIDPAXKCSXFI-UHFFFAOYSA-N 0 3 291.351 2.153 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000385756074 375242774 /nfs/dbraw/zinc/24/27/74/375242774.db2.gz WZMDEJSYNAHOKP-UONOGXRCSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@@H](NCCc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283900457 375778515 /nfs/dbraw/zinc/77/85/15/375778515.db2.gz CWPXMZYITQBISR-LLVKDONJSA-N 0 3 286.335 2.465 20 5 CEBDHN CC(=O)c1cc(NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000286515451 375979968 /nfs/dbraw/zinc/97/99/68/375979968.db2.gz NXOUDBBDSYXNHE-UHFFFAOYSA-N 0 3 289.335 2.471 20 5 CEBDHN CC[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000289779377 376495960 /nfs/dbraw/zinc/49/59/60/376495960.db2.gz KJFUTIKOVZYRTQ-GFCCVEGCSA-N 0 3 252.314 2.418 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](N2CCCC2)C1 ZINC000557572292 376567318 /nfs/dbraw/zinc/56/73/18/376567318.db2.gz OVTBWBZBUMCEBJ-LLVKDONJSA-N 0 3 279.315 2.408 20 5 CEBDHN C[C@H](N[C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873955 377460556 /nfs/dbraw/zinc/46/05/56/377460556.db2.gz MCGAOYCOIRLPFX-WCQYABFASA-N 0 3 286.335 2.457 20 5 CEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293210661 377474402 /nfs/dbraw/zinc/47/44/02/377474402.db2.gz YFGYVLAZCHXECH-ZDUSSCGKSA-N 0 3 250.298 2.109 20 5 CEBDHN CCN(Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293715867 377720071 /nfs/dbraw/zinc/72/00/71/377720071.db2.gz SWGIQGGGIBCVBD-NSHDSACASA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1c(CNC[C@H](O)CCOC(C)C)cccc1[N+](=O)[O-] ZINC000567161327 377805553 /nfs/dbraw/zinc/80/55/53/377805553.db2.gz UHVQPRXRQJIOEL-CQSZACIVSA-N 0 3 296.367 2.169 20 5 CEBDHN CC[C@H](NC(=O)[C@@H](C)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000295236744 378065509 /nfs/dbraw/zinc/06/55/09/378065509.db2.gz SITAGTZHWJUCDS-YGRLFVJLSA-N 0 3 291.351 2.303 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CCC1)CCC2 ZINC000447588244 378122875 /nfs/dbraw/zinc/12/28/75/378122875.db2.gz TVGCFVMAHSPVBY-HNNXBMFYSA-N 0 3 275.352 2.268 20 5 CEBDHN CC[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777405 378230366 /nfs/dbraw/zinc/23/03/66/378230366.db2.gz QIXMGEJRCWRXPD-WCQYABFASA-N 0 3 293.367 2.030 20 5 CEBDHN Cc1cc(F)c(NC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000296710943 378626917 /nfs/dbraw/zinc/62/69/17/378626917.db2.gz LEFYHABISGMZQL-UHFFFAOYSA-N 0 3 298.318 2.068 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000296632495 378598054 /nfs/dbraw/zinc/59/80/54/378598054.db2.gz VSQHVTCAFZFHNR-SECBINFHSA-N 0 3 282.319 2.212 20 5 CEBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000299262310 378946173 /nfs/dbraw/zinc/94/61/73/378946173.db2.gz VTPYCXFQSZGPBH-LBPRGKRZSA-N 0 3 292.339 2.119 20 5 CEBDHN COC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347197965 218153791 /nfs/dbraw/zinc/15/37/91/218153791.db2.gz IITNFIRUQBMYMI-FZMZJTMJSA-N 0 3 292.335 2.021 20 5 CEBDHN CCN(CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347326942 218192070 /nfs/dbraw/zinc/19/20/70/218192070.db2.gz XNXPZVITNWQITM-FMIVXFBMSA-N 0 3 264.325 2.312 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCO)s2)cc1 ZINC000304233309 379533684 /nfs/dbraw/zinc/53/36/84/379533684.db2.gz ONWVTNBZKOHPMV-UHFFFAOYSA-N 0 3 278.333 2.405 20 5 CEBDHN Cc1cc(N[C@@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000266854709 190284537 /nfs/dbraw/zinc/28/45/37/190284537.db2.gz SUVYORZAOKSCBU-LLVKDONJSA-N 0 3 264.329 2.193 20 5 CEBDHN COc1ccc(CN[C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000289442843 197349700 /nfs/dbraw/zinc/34/97/00/197349700.db2.gz FFRAQPZLLWHKHF-CYBMUJFWSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305206587 379683559 /nfs/dbraw/zinc/68/35/59/379683559.db2.gz YEDHTKDJNUVZFN-RISCZKNCSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)(O)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000305196201 379681178 /nfs/dbraw/zinc/68/11/78/379681178.db2.gz UBEKPRHOMHEWMF-ZDUSSCGKSA-N 0 3 264.325 2.330 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cn1 ZINC000267535436 190336080 /nfs/dbraw/zinc/33/60/80/190336080.db2.gz NCWPMCWWWXNIPE-YPMHNXCESA-N 0 3 276.340 2.053 20 5 CEBDHN Cc1ccc(CN2CCC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000541891207 380286741 /nfs/dbraw/zinc/28/67/41/380286741.db2.gz WQFRKPCXRLDEMU-OCCSQVGLSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](N2CCCC2)C1 ZINC000153683373 285091869 /nfs/dbraw/zinc/09/18/69/285091869.db2.gz HQDQMIBPNGBQKF-NSHDSACASA-N 0 3 296.758 2.318 20 5 CEBDHN C[C@H](Cc1cnn(C)c1)NCc1cccc([N+](=O)[O-])c1 ZINC000350511760 219032178 /nfs/dbraw/zinc/03/21/78/219032178.db2.gz HERRCFKNRZHIQR-LLVKDONJSA-N 0 3 274.324 2.049 20 5 CEBDHN C[C@H]1C[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000289048625 197221562 /nfs/dbraw/zinc/22/15/62/197221562.db2.gz QDFAAUVYNMPOOA-AAEUAGOBSA-N 0 3 264.325 2.188 20 5 CEBDHN Nc1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000283575407 195880924 /nfs/dbraw/zinc/88/09/24/195880924.db2.gz OLYMNBRFMXFUHO-UHFFFAOYSA-N 0 3 278.356 2.465 20 5 CEBDHN C[C@@H]1CC(O)C[C@@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191187215 130198222 /nfs/dbraw/zinc/19/82/22/130198222.db2.gz WWHKPKKRZMQBOP-VXGBXAGGSA-N 0 3 294.351 2.207 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000237430166 131030249 /nfs/dbraw/zinc/03/02/49/131030249.db2.gz RIEQKILXVVNLMA-DGCLKSJQSA-N 0 3 291.351 2.223 20 5 CEBDHN CNC(=O)[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967752 394458523 /nfs/dbraw/zinc/45/85/23/394458523.db2.gz AJLRILOBLUHJKC-NWDGAFQWSA-N 0 3 291.351 2.032 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN1C ZINC000421012936 394462324 /nfs/dbraw/zinc/46/23/24/394462324.db2.gz UHNCMQQATMZDIM-CYBMUJFWSA-N 0 3 263.341 2.121 20 5 CEBDHN CC(C)(CN1CCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000308667135 394529849 /nfs/dbraw/zinc/52/98/49/394529849.db2.gz KILVYKFETXUEJX-UHFFFAOYSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1=CCN(C)CC1 ZINC000281902074 394872287 /nfs/dbraw/zinc/87/22/87/394872287.db2.gz MUQRSGQEVSCPNG-MRVPVSSYSA-N 0 3 268.342 2.114 20 5 CEBDHN COC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278881252 394838242 /nfs/dbraw/zinc/83/82/42/394838242.db2.gz SOEVOKJTNYNEIT-UGFHNGPFSA-N 0 3 294.351 2.439 20 5 CEBDHN CCC[C@](C)(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423842737 395000311 /nfs/dbraw/zinc/00/03/11/395000311.db2.gz KGFQLBGDBPSXRQ-ZDUSSCGKSA-N 0 3 299.758 2.382 20 5 CEBDHN Cc1cnc(N2C[C@@H](N3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286322450 395019528 /nfs/dbraw/zinc/01/95/28/395019528.db2.gz KYUBIYNTGRGUHD-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN CCCN1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000343988408 395047696 /nfs/dbraw/zinc/04/76/96/395047696.db2.gz WXHIBMSQGTZYOR-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN Cc1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000175013272 395130277 /nfs/dbraw/zinc/13/02/77/395130277.db2.gz QUMCDBSDHMNEBP-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCNC[C@H]2c2ccncc2)cc1 ZINC000262089288 296503866 /nfs/dbraw/zinc/50/38/66/296503866.db2.gz UQQCNRGCZBKIDG-INIZCTEOSA-N 0 3 298.346 2.136 20 5 CEBDHN COc1ccc(CNCC2=CCOCC2)cc1[N+](=O)[O-] ZINC000397851206 395226480 /nfs/dbraw/zinc/22/64/80/395226480.db2.gz ZROWRVBJNGMRAG-UHFFFAOYSA-N 0 3 278.308 2.040 20 5 CEBDHN C[C@@H]1CCN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000353432165 395297102 /nfs/dbraw/zinc/29/71/02/395297102.db2.gz BAHWGYLEXSNLMC-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC(CCO)CC2)cc1 ZINC000401101092 395255744 /nfs/dbraw/zinc/25/57/44/395255744.db2.gz ZOFOJFZMZHVFEC-UHFFFAOYSA-N 0 3 278.352 2.232 20 5 CEBDHN COCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593557 395387704 /nfs/dbraw/zinc/38/77/04/395387704.db2.gz VDZDUTKQNVTGIS-ZDUSSCGKSA-N 0 3 250.298 2.208 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000354977112 395352060 /nfs/dbraw/zinc/35/20/60/395352060.db2.gz GJPMJXOYMBGYAB-NILFDRSVSA-N 0 3 294.351 2.439 20 5 CEBDHN COC[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451202728 395593365 /nfs/dbraw/zinc/59/33/65/395593365.db2.gz NYAIJOGCKBVSQC-HNNXBMFYSA-N 0 3 294.351 2.462 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(C)CCC(=O)N1 ZINC000574401897 395629384 /nfs/dbraw/zinc/62/93/84/395629384.db2.gz AOZNWLJODNBVMF-ABAIWWIYSA-N 0 3 291.351 2.223 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCCN(C2CC2)CC1 ZINC000195336837 153288211 /nfs/dbraw/zinc/28/82/11/153288211.db2.gz KTOMZCCPLLHLLD-UHFFFAOYSA-N 0 3 293.342 2.404 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226881624 153336580 /nfs/dbraw/zinc/33/65/80/153336580.db2.gz HZUJLQVVYNSADH-GXSJLCMTSA-N 0 3 281.360 2.014 20 5 CEBDHN CO[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829879 153352011 /nfs/dbraw/zinc/35/20/11/153352011.db2.gz KDOYXAHLIVMFCR-QWHCGFSZSA-N 0 3 264.325 2.498 20 5 CEBDHN CO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825870 153352070 /nfs/dbraw/zinc/35/20/70/153352070.db2.gz FMOJILSTZHSLPE-QWHCGFSZSA-N 0 3 264.325 2.498 20 5 CEBDHN COc1ccc(CN[C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000230153267 153385413 /nfs/dbraw/zinc/38/54/13/153385413.db2.gz VIOCJEWEBOXERW-QMTHXVAHSA-N 0 3 280.324 2.261 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249955199 153712037 /nfs/dbraw/zinc/71/20/37/153712037.db2.gz JDJHQJLWPFAEHG-MJBXVCDLSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](O)C1 ZINC000272260020 292295362 /nfs/dbraw/zinc/29/53/62/292295362.db2.gz BMRXDSDBTWSFND-YPMHNXCESA-N 0 3 264.325 2.421 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](O)C2(CC2)C1 ZINC000368409861 292297105 /nfs/dbraw/zinc/29/71/05/292297105.db2.gz HTCDWKYIPOWRPO-SMDDNHRTSA-N 0 3 276.336 2.421 20 5 CEBDHN Cc1c(CN(C)[C@H]2CCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352661881 154323607 /nfs/dbraw/zinc/32/36/07/154323607.db2.gz ZJHCDPTWEYZSOE-UONOGXRCSA-N 0 3 264.325 2.248 20 5 CEBDHN CO[C@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000359430891 155011745 /nfs/dbraw/zinc/01/17/45/155011745.db2.gz SVRSMIWLJHJCIT-DOMZBBRYSA-N 0 3 294.351 2.359 20 5 CEBDHN CO[C@@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662441 155101255 /nfs/dbraw/zinc/10/12/55/155101255.db2.gz GSAHZJQWWVCYDU-ZDTYVGOBSA-N 0 3 292.335 2.003 20 5 CEBDHN CSC1(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368578445 156368482 /nfs/dbraw/zinc/36/84/82/156368482.db2.gz NBMMLQQHVHRYBR-LLVKDONJSA-N 0 3 296.396 2.324 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@]23CCOC3)cc1 ZINC000375328012 157081556 /nfs/dbraw/zinc/08/15/56/157081556.db2.gz SEFWLHFJGBNNFJ-HNNXBMFYSA-N 0 3 292.335 2.229 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]3OCC[C@H]32)c1 ZINC000376007858 157174521 /nfs/dbraw/zinc/17/45/21/157174521.db2.gz PBNJMCRIRRYSML-HUUCEWRRSA-N 0 3 292.335 2.227 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000174811987 165119652 /nfs/dbraw/zinc/11/96/52/165119652.db2.gz HBCWDINMAVUFKD-JSGCOSHPSA-N 0 3 278.356 2.446 20 5 CEBDHN Cc1sc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000408227080 165706811 /nfs/dbraw/zinc/70/68/11/165706811.db2.gz QXPXTRTXXXYUAL-WPRPVWTQSA-N 0 3 297.380 2.177 20 5 CEBDHN CN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000037420871 173197342 /nfs/dbraw/zinc/19/73/42/173197342.db2.gz RZSKSFXSBKPSCC-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN CCCC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810260 173753775 /nfs/dbraw/zinc/75/37/75/173753775.db2.gz TTWLHCOXFOXPRR-GFCCVEGCSA-N 0 3 279.340 2.071 20 5 CEBDHN CC[C@H](NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060576 174071661 /nfs/dbraw/zinc/07/16/61/174071661.db2.gz YVHUJWXPCGHHNP-KGLIPLIRSA-N 0 3 280.324 2.051 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300300 176113514 /nfs/dbraw/zinc/11/35/14/176113514.db2.gz WGGBKFHGKJMMOB-NOZJJQNGSA-N 0 3 250.298 2.016 20 5 CEBDHN CCOc1cc(CN2CC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488746708 262385672 /nfs/dbraw/zinc/38/56/72/262385672.db2.gz MRHAGVFYULVIEI-AAEUAGOBSA-N 0 3 294.351 2.196 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551616 271168602 /nfs/dbraw/zinc/16/86/02/271168602.db2.gz QNFFAVOFDOOUOI-CMPLNLGQSA-N 0 3 287.323 2.263 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425977939 271193692 /nfs/dbraw/zinc/19/36/92/271193692.db2.gz NLZHJRLXVYLZQM-UDGJJRABSA-N 0 3 276.336 2.311 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H]3CCSC3)nc2c1 ZINC000425996440 271194588 /nfs/dbraw/zinc/19/45/88/271194588.db2.gz PYNOEOPJAMCQIR-SECBINFHSA-N 0 3 292.364 2.314 20 5 CEBDHN CC[C@@]1(O)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000428445605 271266725 /nfs/dbraw/zinc/26/67/25/271266725.db2.gz GTXFFSWOOGCKNW-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1CCO ZINC000428453553 271269240 /nfs/dbraw/zinc/26/92/40/271269240.db2.gz PMRWANZVRIYQAU-BOTMBNHJSA-N 0 3 276.336 2.455 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000430205997 271363189 /nfs/dbraw/zinc/36/31/89/271363189.db2.gz VIHRWPMNNPQJDR-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C(C)(C)C ZINC000430234361 271364566 /nfs/dbraw/zinc/36/45/66/271364566.db2.gz ADUNOHBRNDPTAM-ZDUSSCGKSA-N 0 3 282.340 2.100 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCOC[C@@H]1C ZINC000430232007 271365432 /nfs/dbraw/zinc/36/54/32/271365432.db2.gz DXHHLOVUANEJOQ-GWCFXTLKSA-N 0 3 280.324 2.118 20 5 CEBDHN CC(C)[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465704 275676318 /nfs/dbraw/zinc/67/63/18/275676318.db2.gz PRSXVBCRTDROST-MFKMUULPSA-N 0 3 252.314 2.262 20 5 CEBDHN C[C@@H]1CC[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000298212293 278605387 /nfs/dbraw/zinc/60/53/87/278605387.db2.gz ZFQOLGAETSEYFL-OLZOCXBDSA-N 0 3 290.367 2.300 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)c1 ZINC000151916574 278864911 /nfs/dbraw/zinc/86/49/11/278864911.db2.gz YPRDLMVVXHRVSQ-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000133503233 280014359 /nfs/dbraw/zinc/01/43/59/280014359.db2.gz DXSDZEWRXINXKV-UWVGGRQHSA-N 0 3 262.313 2.027 20 5 CEBDHN Cc1cccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343424470 281195077 /nfs/dbraw/zinc/19/50/77/281195077.db2.gz DOYGAIRPAGCIBI-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@]1(CO)CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000530464096 298073637 /nfs/dbraw/zinc/07/36/37/298073637.db2.gz WUAZDKOVJOOXSW-IJVDHGTGSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCCOC1)C2 ZINC000535247167 298184516 /nfs/dbraw/zinc/18/45/16/298184516.db2.gz RASAUGGDYFHXBV-GFCCVEGCSA-N 0 3 276.336 2.380 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)Cc2ccco2)cc1 ZINC000538420070 298227944 /nfs/dbraw/zinc/22/79/44/298227944.db2.gz GOANCTPUGCKYBZ-ZDUSSCGKSA-N 0 3 290.319 2.129 20 5 CEBDHN C[C@H]1C[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)CCN1C ZINC000351283061 313005174 /nfs/dbraw/zinc/00/51/74/313005174.db2.gz VLZKXHBLIRZDED-IUCAKERBSA-N 0 3 292.295 2.436 20 5 CEBDHN CCC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548783705 313575719 /nfs/dbraw/zinc/57/57/19/313575719.db2.gz STOMLNXXKKZZON-LBPRGKRZSA-N 0 3 278.356 2.300 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)C(F)F ZINC000577443805 314376926 /nfs/dbraw/zinc/37/69/26/314376926.db2.gz LUWLUCHIKGISAW-GZMMTYOYSA-N 0 3 274.267 2.180 20 5 CEBDHN CCOC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727267 520672556 /nfs/dbraw/zinc/67/25/56/520672556.db2.gz ADHDRLFGEFQGJO-UHFFFAOYSA-N 0 3 280.324 2.022 20 5 CEBDHN CC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183428448 523672403 /nfs/dbraw/zinc/67/24/03/523672403.db2.gz HSGGMXKLFIYLGT-CYBMUJFWSA-N 0 3 252.314 2.154 20 5 CEBDHN C[C@H]1CCCN1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742424730 575021296 /nfs/dbraw/zinc/02/12/96/575021296.db2.gz CKVRGQNROYQDRC-NSHDSACASA-N 0 3 289.339 2.139 20 5 CEBDHN Cc1nn(CN2C[C@@H](C)C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000749954333 575241838 /nfs/dbraw/zinc/24/18/38/575241838.db2.gz MYVKNARVLQAIDS-VHSXEESVSA-N 0 3 289.339 2.336 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000892459439 625522634 /nfs/dbraw/zinc/52/26/34/625522634.db2.gz BYUIDXGQPZKMJI-NSHDSACASA-N 0 3 294.355 2.285 20 5 CEBDHN COC(C)(C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000932372490 622689645 /nfs/dbraw/zinc/68/96/45/622689645.db2.gz MMOMJMGYPSGYIF-SECBINFHSA-N 0 3 292.339 2.374 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2nccn2C2CC2)cc1 ZINC000892936345 627860510 /nfs/dbraw/zinc/86/05/10/627860510.db2.gz GCIUMXOMBRZOLS-UHFFFAOYSA-N 0 3 286.335 2.459 20 5 CEBDHN CC(COC(=O)C[C@H]1CCc2sccc2C1=O)[N+](=O)[O-] ZINC000893047788 627968241 /nfs/dbraw/zinc/96/82/41/627968241.db2.gz ONZSXHOOOVKYPS-DTWKUNHWSA-N 0 3 297.332 2.092 20 5 CEBDHN CC(=O)OC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000894657706 629577662 /nfs/dbraw/zinc/57/76/62/629577662.db2.gz NEVCWRJADWJKSE-UWVGGRQHSA-N 0 3 266.297 2.197 20 5 CEBDHN C[C@H](CNCc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000897469093 631536030 /nfs/dbraw/zinc/53/60/30/631536030.db2.gz CVSZKWHYLHTPPO-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN CC(COC(=O)C1(c2ccccc2)CCC1)[N+](=O)[O-] ZINC000813100344 632621073 /nfs/dbraw/zinc/62/10/73/632621073.db2.gz RBMLFSRONYGNEW-LLVKDONJSA-N 0 3 263.293 2.317 20 5 CEBDHN CC(COC(=O)c1ccc(-c2cnco2)cc1)[N+](=O)[O-] ZINC000813102314 632621924 /nfs/dbraw/zinc/62/19/24/632621924.db2.gz PNERRQJUOQXDDE-VIFPVBQESA-N 0 3 276.248 2.164 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813104155 632622417 /nfs/dbraw/zinc/62/24/17/632622417.db2.gz XELWGTIUGKXOJI-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)CSCc1ccc(F)cc1)[N+](=O)[O-] ZINC000813104250 632622858 /nfs/dbraw/zinc/62/28/58/632622858.db2.gz KVXRDKLXPCKAPM-SECBINFHSA-N 0 3 287.312 2.267 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2n1 ZINC000813103603 632622980 /nfs/dbraw/zinc/62/29/80/632622980.db2.gz RDZUIDKYXNYQBK-SNVBAGLBSA-N 0 3 274.276 2.365 20 5 CEBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106087 632623960 /nfs/dbraw/zinc/62/39/60/632623960.db2.gz YDUUCUAISLDWHU-LLVKDONJSA-N 0 3 251.282 2.136 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C)c1F ZINC000813107680 632624280 /nfs/dbraw/zinc/62/42/80/632624280.db2.gz QKXCJUBVFLJZLT-SECBINFHSA-N 0 3 255.245 2.265 20 5 CEBDHN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108784 632625159 /nfs/dbraw/zinc/62/51/59/632625159.db2.gz LRMBPYYZTFMSHE-UJICNMFASA-N 0 3 294.263 2.207 20 5 CEBDHN CC(COC(=O)c1cc(F)cc(Cl)c1)[N+](=O)[O-] ZINC000813108597 632625510 /nfs/dbraw/zinc/62/55/10/632625510.db2.gz IASTZMADJVMVAE-LURJTMIESA-N 0 3 261.636 2.301 20 5 CEBDHN CC(C)c1cccc(OCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110033 632626676 /nfs/dbraw/zinc/62/66/76/632626676.db2.gz YZWJDQOXGMITSC-LLVKDONJSA-N 0 3 281.308 2.397 20 5 CEBDHN CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccn1 ZINC000813109967 632626748 /nfs/dbraw/zinc/62/67/48/632626748.db2.gz QRCRXAHPVRUHPM-QWRGUYRKSA-N 0 3 266.297 2.174 20 5 CEBDHN CC(COC(=O)c1csc(C(C)(C)C)n1)[N+](=O)[O-] ZINC000813110555 632626756 /nfs/dbraw/zinc/62/67/56/632626756.db2.gz DGJDXBHOZNEASD-ZETCQYMHSA-N 0 3 272.326 2.263 20 5 CEBDHN COc1ccccc1C[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112583 632627194 /nfs/dbraw/zinc/62/71/94/632627194.db2.gz IUBHMFHXOMYSKN-NWDGAFQWSA-N 0 3 295.335 2.472 20 5 CEBDHN C/C(=C\c1ccc(F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112530 632627760 /nfs/dbraw/zinc/62/77/60/632627760.db2.gz HTURTKZRUUNVRB-TTZKWOQHSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(COC(=O)c1cnc(-c2ccncc2)s1)[N+](=O)[O-] ZINC000813113164 632628827 /nfs/dbraw/zinc/62/88/27/632628827.db2.gz XRPONFFGZNFZTD-MRVPVSSYSA-N 0 3 293.304 2.027 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccc(F)cc2Cl)CC1 ZINC000905188325 635857464 /nfs/dbraw/zinc/85/74/64/635857464.db2.gz FBKVLMPVDHVTLK-UHFFFAOYSA-N 0 3 272.707 2.377 20 5 CEBDHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000819953174 634296837 /nfs/dbraw/zinc/29/68/37/634296837.db2.gz KZGCYYFPAZQVGK-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN COc1cc([C@H](C)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056188 634948562 /nfs/dbraw/zinc/94/85/62/634948562.db2.gz RIOYOQFVTLXCHI-GWCFXTLKSA-N 0 3 280.324 2.433 20 5 CEBDHN Cc1ccc(CSCCNCC[N+](=O)[O-])cc1 ZINC000905023250 635791644 /nfs/dbraw/zinc/79/16/44/635791644.db2.gz GNKBQKSACIWVLH-UHFFFAOYSA-N 0 3 254.355 2.095 20 5 CEBDHN COC[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616053 637621568 /nfs/dbraw/zinc/62/15/68/637621568.db2.gz QAHPKVLXAJKKIB-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@](C)(O)C1 ZINC000876792531 650433739 /nfs/dbraw/zinc/43/37/39/650433739.db2.gz XEGMERQOHZTADX-CQSZACIVSA-N 0 3 264.325 2.168 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000226129966 639525853 /nfs/dbraw/zinc/52/58/53/639525853.db2.gz RCRCHQRBBSJHOF-JTQLQIEISA-N 0 3 297.742 2.072 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000227015276 639570795 /nfs/dbraw/zinc/57/07/95/639570795.db2.gz CAEBFGXPKUUCMX-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN C[C@@H](NC[C@@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210370 639746635 /nfs/dbraw/zinc/74/66/35/639746635.db2.gz BJENWCKURXPKER-ZWNOBZJWSA-N 0 3 280.324 2.397 20 5 CEBDHN O=C(Cc1ccccc1[N+](=O)[O-])OCCN1CCCCC1 ZINC000844264608 640647626 /nfs/dbraw/zinc/64/76/26/640647626.db2.gz KTGXXECTTLSMON-UHFFFAOYSA-N 0 3 292.335 2.166 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(CC3(F)F)C2)c1 ZINC000844472334 640741567 /nfs/dbraw/zinc/74/15/67/640741567.db2.gz WJKCMTVGLIOQBO-QWHCGFSZSA-N 0 3 298.289 2.359 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@]3(CC3(F)F)C2)c1 ZINC000844472336 640742162 /nfs/dbraw/zinc/74/21/62/640742162.db2.gz WJKCMTVGLIOQBO-STQMWFEESA-N 0 3 298.289 2.359 20 5 CEBDHN CN1CCC[C@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000917347715 640877743 /nfs/dbraw/zinc/87/77/43/640877743.db2.gz WGOXLMUEMONHFH-JTQLQIEISA-N 0 3 253.327 2.176 20 5 CEBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000755199790 644486564 /nfs/dbraw/zinc/48/65/64/644486564.db2.gz PDCVKTPRBFYQGF-BXUZGUMPSA-N 0 3 296.392 2.456 20 5 CEBDHN C[C@H](NC[C@H]1CC2(CC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000763740239 645573152 /nfs/dbraw/zinc/57/31/52/645573152.db2.gz YVDFMJAFZCBRNV-GXFFZTMASA-N 0 3 290.319 2.341 20 5 CEBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000776580330 647073599 /nfs/dbraw/zinc/07/35/99/647073599.db2.gz UMKVVHZSUGRJLJ-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865692858 647427018 /nfs/dbraw/zinc/42/70/18/647427018.db2.gz GVWONGDTSALUTQ-JVSQWTDWSA-N 0 3 274.320 2.108 20 5 CEBDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679480 647747410 /nfs/dbraw/zinc/74/74/10/647747410.db2.gz IIVVGKMABFJQJC-VXGBXAGGSA-N 0 3 284.743 2.497 20 5 CEBDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783679477 647747447 /nfs/dbraw/zinc/74/74/47/647747447.db2.gz IIVVGKMABFJQJC-NWDGAFQWSA-N 0 3 284.743 2.497 20 5 CEBDHN COC/C=C\C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454241 648819565 /nfs/dbraw/zinc/81/95/65/648819565.db2.gz JCMCWXPXSHDBHM-KVBROWLYSA-N 0 3 297.282 2.278 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)O ZINC000872015944 649241209 /nfs/dbraw/zinc/24/12/09/649241209.db2.gz ANXHEUGWIQHLDA-RKDXNWHRSA-N 0 3 270.354 2.348 20 5 CEBDHN C[C@H](NCCN1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018194 649242129 /nfs/dbraw/zinc/24/21/29/649242129.db2.gz JHZLRXILFJVQAL-NSHDSACASA-N 0 3 281.331 2.480 20 5 CEBDHN O=[N+]([O-])c1c(F)nccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000881958136 651924994 /nfs/dbraw/zinc/92/49/94/651924994.db2.gz CGKCIXJJZLSBNI-LLVKDONJSA-N 0 3 294.330 2.194 20 5 CEBDHN CC(=O)c1c(N(C)C[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000882473351 652088937 /nfs/dbraw/zinc/08/89/37/652088937.db2.gz RTBPMYGYCOLEFC-GFCCVEGCSA-N 0 3 291.351 2.328 20 5 CEBDHN Cc1c(CNCCO[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000690952804 805842665 /nfs/dbraw/zinc/84/26/65/805842665.db2.gz MTBYBFRWLOCCGN-GFCCVEGCSA-N 0 3 286.278 2.417 20 5 CEBDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C1(CO)CC1 ZINC000696078120 807134453 /nfs/dbraw/zinc/13/44/53/807134453.db2.gz CSKLJIVAZFIRNO-SECBINFHSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1ccc(F)c(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168977836 811306775 /nfs/dbraw/zinc/30/67/75/811306775.db2.gz MMXBAJZNTJFOEP-QWRGUYRKSA-N 0 3 267.304 2.064 20 5 CEBDHN C[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966059 811317218 /nfs/dbraw/zinc/31/72/18/811317218.db2.gz GAODEFUOSKNYPV-IVZWLZJFSA-N 0 3 255.343 2.239 20 5 CEBDHN Cc1ccc(C2(N[C@H]3CC[C@@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974510 811323782 /nfs/dbraw/zinc/32/37/82/811323782.db2.gz RBNYSFJHQNBLID-HIFRSBDPSA-N 0 3 290.363 2.256 20 5 CEBDHN C[C@@H](N)c1ccn(-c2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC001169234229 811449878 /nfs/dbraw/zinc/44/98/78/811449878.db2.gz VQCBWXQANKICDE-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN CN1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000712581561 814752789 /nfs/dbraw/zinc/75/27/89/814752789.db2.gz NAIPFXZHTKZXBG-LLVKDONJSA-N 0 3 269.732 2.042 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N2CCCC2)C1 ZINC001173225114 815629779 /nfs/dbraw/zinc/62/97/79/815629779.db2.gz BLKHJZNRHVHVNE-ZDUSSCGKSA-N 0 3 289.379 2.306 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C)(N(C)C)C1 ZINC001173234909 815634339 /nfs/dbraw/zinc/63/43/39/815634339.db2.gz UNDDMZHJHLIFIQ-GFCCVEGCSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1CN ZINC001173212193 815635928 /nfs/dbraw/zinc/63/59/28/815635928.db2.gz XBFXUTWUKJVAKC-JTQLQIEISA-N 0 3 260.297 2.054 20 5 CEBDHN CN(c1cc(N)ccn1)c1cc([N+](=O)[O-])ccc1F ZINC001175735111 816271593 /nfs/dbraw/zinc/27/15/93/816271593.db2.gz ISSAKQOSPCGSDA-UHFFFAOYSA-N 0 3 262.244 2.479 20 5 CEBDHN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000567619336 299067090 /nfs/dbraw/zinc/06/70/90/299067090.db2.gz SLMDZIWYQPPGSR-UHFFFAOYSA-N 0 3 278.308 2.089 20 5 CEBDHN C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125202044 187174317 /nfs/dbraw/zinc/17/43/17/187174317.db2.gz GMPIXKYLOVMLSO-GXTWGEPZSA-N 0 3 294.351 2.066 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCCn2ccnc2)cs1 ZINC000037562689 361903242 /nfs/dbraw/zinc/90/32/42/361903242.db2.gz UUUSBQVPPAMOLZ-UHFFFAOYSA-N 0 3 266.326 2.033 20 5 CEBDHN Cc1ccc(CN[C@H](C)CC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000125447021 187185501 /nfs/dbraw/zinc/18/55/01/187185501.db2.gz KQMSZWWTZBDTBT-WYRIXSBYSA-N 0 3 284.381 2.150 20 5 CEBDHN CC[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027270896 343392289 /nfs/dbraw/zinc/39/22/89/343392289.db2.gz VXVUFYBMOZJZIO-CYBMUJFWSA-N 0 3 291.351 2.458 20 5 CEBDHN CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000449483513 282254455 /nfs/dbraw/zinc/25/44/55/282254455.db2.gz JCTLETOGJJPTLS-ZJUUUORDSA-N 0 3 280.324 2.445 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449507324 282262963 /nfs/dbraw/zinc/26/29/63/282262963.db2.gz LVTJPILQLJUPSS-GOEBONIOSA-N 0 3 290.363 2.482 20 5 CEBDHN Cc1ccc(CN2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000449516497 282268994 /nfs/dbraw/zinc/26/89/94/282268994.db2.gz GKGLZCNMJVFJAM-HIFRSBDPSA-N 0 3 275.352 2.039 20 5 CEBDHN C[C@@H]1CCCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000047142638 343511822 /nfs/dbraw/zinc/51/18/22/343511822.db2.gz BKARGOYFLFFZBH-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@@H](N(C)Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)O ZINC000295060226 199324041 /nfs/dbraw/zinc/32/40/41/199324041.db2.gz BUNUEDLLKNECMK-SECBINFHSA-N 0 3 270.304 2.325 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ccncc2[N+](=O)[O-])C1 ZINC000066808978 343722267 /nfs/dbraw/zinc/72/22/67/343722267.db2.gz YCZIEZZTRDEFRM-LLVKDONJSA-N 0 3 264.329 2.134 20 5 CEBDHN CNC(=O)C[C@@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449601998 282300291 /nfs/dbraw/zinc/30/02/91/282300291.db2.gz NYMWSZBPZOURLV-YTRUQHMWSA-N 0 3 291.351 2.112 20 5 CEBDHN CNC(=O)C[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449601996 282300399 /nfs/dbraw/zinc/30/03/99/282300399.db2.gz NYMWSZBPZOURLV-SEVUFMINSA-N 0 3 291.351 2.112 20 5 CEBDHN CC(C)CC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602456645 347041520 /nfs/dbraw/zinc/04/15/20/347041520.db2.gz BQCUDWPJXQPZFJ-CYBMUJFWSA-N 0 3 293.367 2.017 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)CO ZINC000151740561 344422986 /nfs/dbraw/zinc/42/29/86/344422986.db2.gz UHKFUFBMZZEDLH-KOLCDFICSA-N 0 3 252.314 2.182 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602475380 347049725 /nfs/dbraw/zinc/04/97/25/347049725.db2.gz VOOGZUQBYRSKDB-GHMZBOCLSA-N 0 3 266.345 2.339 20 5 CEBDHN CC(C)[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000140484077 344398377 /nfs/dbraw/zinc/39/83/77/344398377.db2.gz QKONOSBDUSCMSB-ZDUSSCGKSA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H](C)C2)n1 ZINC000156202636 344441468 /nfs/dbraw/zinc/44/14/68/344441468.db2.gz NJZAEMZQLHRKIH-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN COc1ccc(CN(CCO)C2CCCC2)cc1[N+](=O)[O-] ZINC000050106614 362402218 /nfs/dbraw/zinc/40/22/18/362402218.db2.gz SMMWZBJUYHMNGI-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN CCc1cc(CNCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000602501868 347059155 /nfs/dbraw/zinc/05/91/55/347059155.db2.gz USWZPHGJGKRYGP-UHFFFAOYSA-N 0 3 275.308 2.478 20 5 CEBDHN Cc1c(CNC(=O)[C@H](N)CCC(C)C)cccc1[N+](=O)[O-] ZINC000602499159 347058477 /nfs/dbraw/zinc/05/84/77/347058477.db2.gz NNNGGAWYNGPAPP-CYBMUJFWSA-N 0 3 293.367 2.283 20 5 CEBDHN CCC(CC)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000053047432 362478676 /nfs/dbraw/zinc/47/86/76/362478676.db2.gz FFYSQLZCVPPFKW-UHFFFAOYSA-N 0 3 252.314 2.236 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](CO)CC1 ZINC000293104617 344690894 /nfs/dbraw/zinc/69/08/94/344690894.db2.gz LIEJKEQDADJMDK-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN C[C@H](F)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590195019 345120675 /nfs/dbraw/zinc/12/06/75/345120675.db2.gz QSCCGPRUYQIAEB-VIFPVBQESA-N 0 3 284.287 2.204 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](CO)CN2CCCCC2)c1 ZINC000590702024 345163842 /nfs/dbraw/zinc/16/38/42/345163842.db2.gz NSURPFLXRNBJEH-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN COCC1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000594514525 345641476 /nfs/dbraw/zinc/64/14/76/345641476.db2.gz KKXCFMRCFFGUCO-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN CC(C)(C)[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594653041 345667626 /nfs/dbraw/zinc/66/76/26/345667626.db2.gz XHAPYUBBZOCSDE-CYBMUJFWSA-N 0 3 289.339 2.281 20 5 CEBDHN Cc1c[nH]c(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000594952953 345714346 /nfs/dbraw/zinc/71/43/46/345714346.db2.gz FPOJUZRPPBOTAI-UHFFFAOYSA-N 0 3 299.334 2.440 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2COC3(CCC3)C2)cc1 ZINC000594974411 345720256 /nfs/dbraw/zinc/72/02/56/345720256.db2.gz KALWEWAWTNLKGA-LBPRGKRZSA-N 0 3 262.309 2.396 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000273938126 192370745 /nfs/dbraw/zinc/37/07/45/192370745.db2.gz CVTHTQZSTYHQLH-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCN(C)C1 ZINC000595017710 345728292 /nfs/dbraw/zinc/72/82/92/345728292.db2.gz NDJVENSLNUIFOF-VXGBXAGGSA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[C@H](C)O ZINC000595033696 345731581 /nfs/dbraw/zinc/73/15/81/345731581.db2.gz RZKPKSZDYPGNAM-DCAQKATOSA-N 0 3 282.340 2.413 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC1CC=CC1)CC2 ZINC000595421719 345777535 /nfs/dbraw/zinc/77/75/35/345777535.db2.gz BSLOPQRHJWOAJX-UHFFFAOYSA-N 0 3 259.309 2.314 20 5 CEBDHN CC[C@@H](NCc1onc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000595421987 345778007 /nfs/dbraw/zinc/77/80/07/345778007.db2.gz DELKAEOZVYYBGY-LLVKDONJSA-N 0 3 283.328 2.186 20 5 CEBDHN Cc1c(CN[C@@H](CO)C2CCC2)cccc1[N+](=O)[O-] ZINC000595615484 345827676 /nfs/dbraw/zinc/82/76/76/345827676.db2.gz HJRVILJXEBYVRO-ZDUSSCGKSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595829374 345888639 /nfs/dbraw/zinc/88/86/39/345888639.db2.gz HJAQJOHZDGSILA-CHWSQXEVSA-N 0 3 262.309 2.063 20 5 CEBDHN Cc1c(CN2CC[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595835060 345891564 /nfs/dbraw/zinc/89/15/64/345891564.db2.gz UJIREJGUBSROEL-KGLIPLIRSA-N 0 3 276.336 2.372 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595754218 345867418 /nfs/dbraw/zinc/86/74/18/345867418.db2.gz XBCCDWMNDFWBQP-UHFFFAOYSA-N 0 3 276.336 2.416 20 5 CEBDHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595766503 345870811 /nfs/dbraw/zinc/87/08/11/345870811.db2.gz WXOOBNVUYUEXGA-AWEZNQCLSA-N 0 3 291.351 2.336 20 5 CEBDHN CC[C@@H]1CC[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595785207 345876178 /nfs/dbraw/zinc/87/61/78/345876178.db2.gz XAXLJGQBPHEKBY-CHWSQXEVSA-N 0 3 293.367 2.267 20 5 CEBDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086220 345936660 /nfs/dbraw/zinc/93/66/60/345936660.db2.gz WIBJGHRNRCUACC-WDEREUQCSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086220 345936664 /nfs/dbraw/zinc/93/66/64/345936664.db2.gz WIBJGHRNRCUACC-WDEREUQCSA-N 0 3 294.355 2.228 20 5 CEBDHN CCCN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596517566 346044558 /nfs/dbraw/zinc/04/45/58/346044558.db2.gz OTFOPCTVWBGASL-VIFPVBQESA-N 0 3 268.292 2.025 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597858139 346239838 /nfs/dbraw/zinc/23/98/38/346239838.db2.gz KGHZYACSYLWTIZ-NSHDSACASA-N 0 3 291.351 2.197 20 5 CEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC)C1 ZINC000598041234 346274541 /nfs/dbraw/zinc/27/45/41/346274541.db2.gz JYVNWCDSHJBFQD-AWEZNQCLSA-N 0 3 291.351 2.151 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000598343464 346331749 /nfs/dbraw/zinc/33/17/49/346331749.db2.gz VXFAURJRGJZEEO-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676752 346398208 /nfs/dbraw/zinc/39/82/08/346398208.db2.gz KEFWSCZSXZKNTM-SMDDNHRTSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644994 346391537 /nfs/dbraw/zinc/39/15/37/346391537.db2.gz CMHPRKPJTKUYPF-DGCLKSJQSA-N 0 3 264.325 2.045 20 5 CEBDHN CN(C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599013334 346446346 /nfs/dbraw/zinc/44/63/46/346446346.db2.gz IBYPGGONSZRNSF-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN C/C=C/C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599691946 346568334 /nfs/dbraw/zinc/56/83/34/346568334.db2.gz VEKQUKLTPJRIIQ-IBUXWKBASA-N 0 3 278.356 2.470 20 5 CEBDHN Cc1ccc(CNC[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000336818074 365863071 /nfs/dbraw/zinc/86/30/71/365863071.db2.gz TWMTYTWOFYRCML-CQSZACIVSA-N 0 3 264.325 2.154 20 5 CEBDHN Cn1cc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602677100 347139158 /nfs/dbraw/zinc/13/91/58/347139158.db2.gz SFPVURCCKPWICV-VXGBXAGGSA-N 0 3 278.356 2.339 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000602744076 347182826 /nfs/dbraw/zinc/18/28/26/347182826.db2.gz OERLUWAGXPMUOU-KCJUWKMLSA-N 0 3 292.257 2.039 20 5 CEBDHN CN(CCc1cnccn1)CCc1ccccc1[N+](=O)[O-] ZINC000602830959 347216541 /nfs/dbraw/zinc/21/65/41/347216541.db2.gz MXXFZJIXCRKRSH-UHFFFAOYSA-N 0 3 286.335 2.102 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2CC[C@@H](C1)S2 ZINC000602916653 347246355 /nfs/dbraw/zinc/24/63/55/347246355.db2.gz PEVLFUSFTWVTPT-NEPJUHHUSA-N 0 3 296.396 2.070 20 5 CEBDHN CCCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965922 347258409 /nfs/dbraw/zinc/25/84/09/347258409.db2.gz RHXRHXRRNXPKMN-ZDUSSCGKSA-N 0 3 252.314 2.192 20 5 CEBDHN COc1ccc(CNC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000085985267 179211257 /nfs/dbraw/zinc/21/12/57/179211257.db2.gz NGBUOXQQGUFQKD-GXTWGEPZSA-N 0 3 294.351 2.244 20 5 CEBDHN CC[C@H](CN1CCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000609851251 347653114 /nfs/dbraw/zinc/65/31/14/347653114.db2.gz ZEJIHYRYMVHQFD-LLVKDONJSA-N 0 3 297.380 2.261 20 5 CEBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610479262 347683381 /nfs/dbraw/zinc/68/33/81/347683381.db2.gz LAHHEKIBYIWJMR-UHFFFAOYSA-N 0 3 299.396 2.203 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)CO ZINC000611235462 347754604 /nfs/dbraw/zinc/75/46/04/347754604.db2.gz BMXOMLFPAYPWGJ-LBPRGKRZSA-N 0 3 266.341 2.434 20 5 CEBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000339574588 215250839 /nfs/dbraw/zinc/25/08/39/215250839.db2.gz PPJWYQUSSOVVOJ-GHMZBOCLSA-N 0 3 277.324 2.264 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339617295 215271397 /nfs/dbraw/zinc/27/13/97/215271397.db2.gz ROIWIORMXQRKBI-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000619785406 349236823 /nfs/dbraw/zinc/23/68/23/349236823.db2.gz GLJATJFJCBTBSG-CQSZACIVSA-N 0 3 264.325 2.248 20 5 CEBDHN CCN1CCC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691981 180024914 /nfs/dbraw/zinc/02/49/14/180024914.db2.gz BRQJWQUTRJSBHW-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN CCC[C@@H](NC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090847940 180044191 /nfs/dbraw/zinc/04/41/91/180044191.db2.gz XHZBROFGIDSXBJ-HUUCEWRRSA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@@H]1[C@H](CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000412062969 233326796 /nfs/dbraw/zinc/32/67/96/233326796.db2.gz AWZMQLURJQANOF-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H]1[C@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000412071897 233329865 /nfs/dbraw/zinc/32/98/65/233329865.db2.gz HAEHHVABVCVDIE-YPMHNXCESA-N 0 3 264.325 2.188 20 5 CEBDHN CN1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108433501 186216421 /nfs/dbraw/zinc/21/64/21/186216421.db2.gz KCHCXMJWIIKBMW-LLVKDONJSA-N 0 3 292.339 2.058 20 5 CEBDHN CC[C@@H](N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000131201325 366029631 /nfs/dbraw/zinc/02/96/31/366029631.db2.gz MJEKYZMSVIYCCA-WCQYABFASA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1c(CN2CCC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000123884089 187113385 /nfs/dbraw/zinc/11/33/85/187113385.db2.gz POXBANQKOHYVHT-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN COc1cc(CN[C@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494207159 290961123 /nfs/dbraw/zinc/96/11/23/290961123.db2.gz BMDJKGMQFUPOTK-QMTHXVAHSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1c([C@@H](C)NCCn2ccnc2)cccc1[N+](=O)[O-] ZINC000155690733 188221309 /nfs/dbraw/zinc/22/13/09/188221309.db2.gz FCSRQGDHJDXDEW-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@H]1CCC[C@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000292983915 198484707 /nfs/dbraw/zinc/48/47/07/198484707.db2.gz LKZCYOBMZGHQIU-CABZTGNLSA-N 0 3 270.354 2.297 20 5 CEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132941014 366181342 /nfs/dbraw/zinc/18/13/42/366181342.db2.gz GSUGUNHJPYRUPL-TYNCELHUSA-N 0 3 294.351 2.439 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451544152 283028155 /nfs/dbraw/zinc/02/81/55/283028155.db2.gz MJAYNHFWZPOTKO-SWLSCSKDSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1cc(N[C@H]2CCN(CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000074749683 363382590 /nfs/dbraw/zinc/38/25/90/363382590.db2.gz CUAVMLOFZAEWOB-LBPRGKRZSA-N 0 3 276.340 2.194 20 5 CEBDHN CN1CC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451625983 283055982 /nfs/dbraw/zinc/05/59/82/283055982.db2.gz DYWYMJFFJBYLSU-RISCZKNCSA-N 0 3 295.770 2.384 20 5 CEBDHN CO[C@@H](C)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338376157 366326854 /nfs/dbraw/zinc/32/68/54/366326854.db2.gz LMYOGQZCGQWYCL-NSHDSACASA-N 0 3 252.314 2.104 20 5 CEBDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428827 199036359 /nfs/dbraw/zinc/03/63/59/199036359.db2.gz URMGKHKYQXZCMA-UTLUCORTSA-N 0 3 267.329 2.251 20 5 CEBDHN C[C@@H](NCc1ccn(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294772479 199175383 /nfs/dbraw/zinc/17/53/83/199175383.db2.gz NGMIBBINBCHKFJ-SNVBAGLBSA-N 0 3 274.324 2.366 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC2(CO)CCCC2)c1 ZINC000135073149 366392336 /nfs/dbraw/zinc/39/23/36/366392336.db2.gz DXRPOZBSTNRAOW-UHFFFAOYSA-N 0 3 264.325 2.237 20 5 CEBDHN CSCC[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668481 366531652 /nfs/dbraw/zinc/53/16/52/366531652.db2.gz DRNXINWKSIDXTK-ZWNOBZJWSA-N 0 3 296.392 2.286 20 5 CEBDHN CC[C@@H](COC)NCc1cc([N+](=O)[O-])ccc1OC ZINC000079743114 363626643 /nfs/dbraw/zinc/62/66/43/363626643.db2.gz CMFISACTGWEKGF-NSHDSACASA-N 0 3 268.313 2.118 20 5 CEBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)c2ccccc21 ZINC000080760558 363682283 /nfs/dbraw/zinc/68/22/83/363682283.db2.gz CFHOTHRPOXJFPB-NSHDSACASA-N 0 3 288.303 2.115 20 5 CEBDHN CC[C@@H](NCC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243705 283507954 /nfs/dbraw/zinc/50/79/54/283507954.db2.gz AEECNTVTLNUWAF-HUUCEWRRSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H](C)CCO)cccc1[N+](=O)[O-] ZINC000151949440 366677360 /nfs/dbraw/zinc/67/73/60/366677360.db2.gz QJJLLQBSMPCADG-GXSJLCMTSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H](N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(C)CC1 ZINC000177219778 189037624 /nfs/dbraw/zinc/03/76/24/189037624.db2.gz KWERVXCVEKRYKS-JTQLQIEISA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413939 283563097 /nfs/dbraw/zinc/56/30/97/283563097.db2.gz WVKGDIUNAGHRRN-ABAIWWIYSA-N 0 3 291.351 2.223 20 5 CEBDHN CC(C)[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000342235509 216272623 /nfs/dbraw/zinc/27/26/23/216272623.db2.gz QOVFAGKRLHIOKB-LLVKDONJSA-N 0 3 270.304 2.088 20 5 CEBDHN CN(C)CCSc1ncc([N+](=O)[O-])cc1Cl ZINC000301600230 201090522 /nfs/dbraw/zinc/09/05/22/201090522.db2.gz IJRTUGWYUGSYHB-UHFFFAOYSA-N 0 3 261.734 2.297 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119865877 365336223 /nfs/dbraw/zinc/33/62/23/365336223.db2.gz LPAFFZMTHIAYDN-NSHDSACASA-N 0 3 282.365 2.411 20 5 CEBDHN CC(C)c1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000275791677 193129531 /nfs/dbraw/zinc/12/95/31/193129531.db2.gz LDUQCPCIGCEDRA-NSHDSACASA-N 0 3 293.367 2.398 20 5 CEBDHN C[C@@H](CN(C)C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168638490 367356952 /nfs/dbraw/zinc/35/69/52/367356952.db2.gz NKGBYYITPMPSHO-QWRGUYRKSA-N 0 3 251.330 2.196 20 5 CEBDHN C[C@@H](CN(C)C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168605124 367357410 /nfs/dbraw/zinc/35/74/10/367357410.db2.gz XDTKJDKBAVFHOH-QWRGUYRKSA-N 0 3 251.330 2.196 20 5 CEBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000170764864 367407400 /nfs/dbraw/zinc/40/74/00/367407400.db2.gz FZUUNXUJLZTUCT-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000245901618 370884972 /nfs/dbraw/zinc/88/49/72/370884972.db2.gz PZLDMEGLQJHHOJ-ZIAGYGMSSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000343439098 367815539 /nfs/dbraw/zinc/81/55/39/367815539.db2.gz IWYNEVFAVHLLCF-SMDDNHRTSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1cnc(N[C@@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343530735 367867383 /nfs/dbraw/zinc/86/73/83/367867383.db2.gz OXAMGEOLRZXQGW-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1noc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173391121 367906484 /nfs/dbraw/zinc/90/64/84/367906484.db2.gz UZCZGPXHKHOXFE-VIFPVBQESA-N 0 3 276.296 2.180 20 5 CEBDHN COc1cc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1F ZINC000343807436 368014274 /nfs/dbraw/zinc/01/42/74/368014274.db2.gz OFHJAJZGNXJAPU-QMMMGPOBSA-N 0 3 271.292 2.105 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183220030 368616843 /nfs/dbraw/zinc/61/68/43/368616843.db2.gz PHJYPEJDJBMODP-SNVBAGLBSA-N 0 3 279.340 2.018 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000186789342 369042617 /nfs/dbraw/zinc/04/26/17/369042617.db2.gz LOZJCSSLJKLBOB-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000187103551 369101380 /nfs/dbraw/zinc/10/13/80/369101380.db2.gz YIIWNQFWUKZHAE-LALPHHSUSA-N 0 3 292.335 2.261 20 5 CEBDHN CN(C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000187415963 369156347 /nfs/dbraw/zinc/15/63/47/369156347.db2.gz HERYUBDHRZUNAP-UHFFFAOYSA-N 0 3 292.339 2.153 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[C@H](O)C1 ZINC000188800648 369410695 /nfs/dbraw/zinc/41/06/95/369410695.db2.gz GHDHURACSQNGII-CABZTGNLSA-N 0 3 284.743 2.499 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[C@H](O)C1 ZINC000188850187 369419722 /nfs/dbraw/zinc/41/97/22/369419722.db2.gz SQDYMKBYJHFPAS-RISCZKNCSA-N 0 3 294.351 2.244 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1CC(N)=O ZINC000350006925 369481970 /nfs/dbraw/zinc/48/19/70/369481970.db2.gz GGYZJSIIESJKMV-ZDUSSCGKSA-N 0 3 291.351 2.133 20 5 CEBDHN COCCN1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000276175086 193233949 /nfs/dbraw/zinc/23/39/49/193233949.db2.gz DJIGMRWJEKBFFD-LLVKDONJSA-N 0 3 299.758 2.381 20 5 CEBDHN CO[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000189322112 369497166 /nfs/dbraw/zinc/49/71/66/369497166.db2.gz KAOQFAFUQVBSSQ-WFASDCNBSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H]1CO ZINC000191185477 369689932 /nfs/dbraw/zinc/68/99/32/369689932.db2.gz AJHWMVBFHMLOEF-HZMBPMFUSA-N 0 3 264.325 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)C2CC2)c(Cl)c1 ZINC000353158540 370046325 /nfs/dbraw/zinc/04/63/25/370046325.db2.gz WJGACMRQDQPRST-LLVKDONJSA-N 0 3 284.743 2.356 20 5 CEBDHN COCC[C@H](COC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353129850 370031139 /nfs/dbraw/zinc/03/11/39/370031139.db2.gz TZRLPKVDXBJGQE-HZRUHFOJSA-N 0 3 294.351 2.249 20 5 CEBDHN COc1cc(NCCN2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000223225563 370262250 /nfs/dbraw/zinc/26/22/50/370262250.db2.gz UCRPJUJOGWPHQQ-UHFFFAOYSA-N 0 3 283.303 2.250 20 5 CEBDHN C[C@@H](O)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227953080 370389447 /nfs/dbraw/zinc/38/94/47/370389447.db2.gz TYIVLCUITJUKGG-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000230377263 370457701 /nfs/dbraw/zinc/45/77/01/370457701.db2.gz XGBQILGWXYMBRI-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN CCC[C@H](CCO)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000231383054 370478847 /nfs/dbraw/zinc/47/88/47/370478847.db2.gz YCJCZIAGTZUJGN-GFCCVEGCSA-N 0 3 296.367 2.492 20 5 CEBDHN CCC[C@H](N[C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233358669 370518243 /nfs/dbraw/zinc/51/82/43/370518243.db2.gz LFISWJAEKICBCP-OCCSQVGLSA-N 0 3 282.340 2.033 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@]1(C)CCO[C@H]1C ZINC000234888557 370547212 /nfs/dbraw/zinc/54/72/12/370547212.db2.gz JYBJRLKIBFCKEN-HZMBPMFUSA-N 0 3 280.324 2.261 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(CCO)[C@@H]2CCCSC2)c1 ZINC000355512575 370581593 /nfs/dbraw/zinc/58/15/93/370581593.db2.gz KCMPNRIPPLEOKB-CQSZACIVSA-N 0 3 296.392 2.285 20 5 CEBDHN C[C@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249521681 371330541 /nfs/dbraw/zinc/33/05/41/371330541.db2.gz NPQZZQFGHRRDRX-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@H](C)O ZINC000361045617 371617909 /nfs/dbraw/zinc/61/79/09/371617909.db2.gz YDYIWQZSBVTHIS-MNOVXSKESA-N 0 3 282.340 2.243 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCCN(C)[C@@H]1C ZINC000361046004 371619605 /nfs/dbraw/zinc/61/96/05/371619605.db2.gz ZGUITIXSDFNHMU-MWLCHTKSSA-N 0 3 281.360 2.014 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000353331884 220032499 /nfs/dbraw/zinc/03/24/99/220032499.db2.gz WVTILOZJTQYAQD-HNNXBMFYSA-N 0 3 275.352 2.263 20 5 CEBDHN Cc1nc(NC[C@]2(N(C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000268482676 372114715 /nfs/dbraw/zinc/11/47/15/372114715.db2.gz LUMNJQDJOQKOTL-CYBMUJFWSA-N 0 3 296.396 2.147 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000267565218 372076191 /nfs/dbraw/zinc/07/61/91/372076191.db2.gz VYKMTWMKGZGKNQ-NEPJUHHUSA-N 0 3 276.340 2.053 20 5 CEBDHN CC(C(=O)N(C)c1ccc([N+](=O)[O-])nc1)C(F)(F)F ZINC000344203332 217097072 /nfs/dbraw/zinc/09/70/72/217097072.db2.gz WKMIAXJQLGAMNH-ZCFIWIBFSA-N 0 3 277.202 2.151 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000362027769 372178211 /nfs/dbraw/zinc/17/82/11/372178211.db2.gz OKTYNALTJHEVJA-UKRRQHHQSA-N 0 3 294.351 2.187 20 5 CEBDHN Cc1c([C@@H](C)NCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000268921118 372287129 /nfs/dbraw/zinc/28/71/29/372287129.db2.gz WTDOAGQFGSWITL-GXSJLCMTSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H]1[C@@H](NCc2csc([N+](=O)[O-])c2)CCCN1C ZINC000344353145 217164324 /nfs/dbraw/zinc/16/43/24/217164324.db2.gz JJTCTEYQMGRRHC-ONGXEEELSA-N 0 3 269.370 2.229 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000269658274 372523098 /nfs/dbraw/zinc/52/30/98/372523098.db2.gz NSPMBMGRLJJJSE-ZDUSSCGKSA-N 0 3 266.341 2.434 20 5 CEBDHN CN1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270774432 372946755 /nfs/dbraw/zinc/94/67/55/372946755.db2.gz REXMOGDKKIKDKH-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CCN(C)C(=O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344788493 217312536 /nfs/dbraw/zinc/31/25/36/217312536.db2.gz FUVKMGVXBNMJTJ-WQLSENKSSA-N 0 3 291.351 2.066 20 5 CEBDHN COc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272257544 373390132 /nfs/dbraw/zinc/39/01/32/373390132.db2.gz ZNPGBOXINSXBHK-FZMZJTMJSA-N 0 3 291.351 2.134 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CCCC2)cs1 ZINC000289546519 197397945 /nfs/dbraw/zinc/39/79/45/197397945.db2.gz NZJGLKRWLRPJFQ-LLVKDONJSA-N 0 3 270.354 2.297 20 5 CEBDHN CC(C)(C)OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373272196 374314087 /nfs/dbraw/zinc/31/40/87/374314087.db2.gz GDANQNCOLHSQQJ-UHFFFAOYSA-N 0 3 296.371 2.243 20 5 CEBDHN CCOc1cc(CN(C)CCCCO)ccc1[N+](=O)[O-] ZINC000276944986 374354711 /nfs/dbraw/zinc/35/47/11/374354711.db2.gz SVKMLTYZUUPRKM-UHFFFAOYSA-N 0 3 282.340 2.198 20 5 CEBDHN C[C@@]1(O)CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000280046628 375073207 /nfs/dbraw/zinc/07/32/07/375073207.db2.gz LWGCNBULMJJDFM-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000387339667 375273833 /nfs/dbraw/zinc/27/38/33/375273833.db2.gz DZSMOHNSNCUYAZ-CWSCBRNRSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@H](NCC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137917 375411060 /nfs/dbraw/zinc/41/10/60/375411060.db2.gz BUXZJKXHMGEPEO-APBUJDDRSA-N 0 3 282.365 2.157 20 5 CEBDHN Cc1nn(C)cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283169580 375667890 /nfs/dbraw/zinc/66/78/90/375667890.db2.gz YXVUIHPIKKHXRU-UHFFFAOYSA-N 0 3 288.351 2.311 20 5 CEBDHN CCCN(CCN1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000286312599 375909506 /nfs/dbraw/zinc/90/95/06/375909506.db2.gz JBJMAMUZNXBSTH-UHFFFAOYSA-N 0 3 293.371 2.087 20 5 CEBDHN Cc1nnc(CCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000289725766 376465518 /nfs/dbraw/zinc/46/55/18/376465518.db2.gz FXPJEZGXALVXOY-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN C[C@H]1CCC[C@@H](CO)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887409 376529850 /nfs/dbraw/zinc/52/98/50/376529850.db2.gz YWAWHLVEDVELDU-JSGCOSHPSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@@H](O)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000264423432 190108803 /nfs/dbraw/zinc/10/88/03/190108803.db2.gz MVNUBCTWJBQNBM-IUODEOHRSA-N 0 3 294.351 2.209 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@H](CO)C1 ZINC000311325438 376663403 /nfs/dbraw/zinc/66/34/03/376663403.db2.gz BLKCMFYEXVIEOW-AAEUAGOBSA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCNCC1 ZINC000332357217 377580048 /nfs/dbraw/zinc/58/00/48/377580048.db2.gz SMGHMOMXBFFUEA-UHFFFAOYSA-N 0 3 292.339 2.039 20 5 CEBDHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000565198834 377602231 /nfs/dbraw/zinc/60/22/31/377602231.db2.gz HPGANTNPWFAHJO-RYUDHWBXSA-N 0 3 291.351 2.114 20 5 CEBDHN CCCCN(C)CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447694033 378131420 /nfs/dbraw/zinc/13/14/20/378131420.db2.gz PKGXJSBXZBOFLM-UHFFFAOYSA-N 0 3 291.355 2.037 20 5 CEBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN(C)C ZINC000295544242 378203667 /nfs/dbraw/zinc/20/36/67/378203667.db2.gz UGMHRYSFIJWOEI-UHFFFAOYSA-N 0 3 290.323 2.125 20 5 CEBDHN COCCN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299263015 378946646 /nfs/dbraw/zinc/94/66/46/378946646.db2.gz YQNBFJKXTJMVHU-UHFFFAOYSA-N 0 3 297.330 2.257 20 5 CEBDHN Cc1c([C@H](C)NC[C@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278693000 194106206 /nfs/dbraw/zinc/10/62/06/194106206.db2.gz GXUQGUZXDSWLLF-YWPYICTPSA-N 0 3 294.351 2.094 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@](C)(O)C1 ZINC000347363560 218206373 /nfs/dbraw/zinc/20/63/73/218206373.db2.gz RWGGDCMEXJUPAV-JQVXPOPVSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)C1CC1 ZINC000507139158 379097446 /nfs/dbraw/zinc/09/74/46/379097446.db2.gz AIOJLZUCXGZFHG-HYXAFXHYSA-N 0 3 262.309 2.065 20 5 CEBDHN COC[C@@](C)(O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952361 379327479 /nfs/dbraw/zinc/32/74/79/379327479.db2.gz SYQHJGKWXCTYQI-DOMZBBRYSA-N 0 3 296.367 2.341 20 5 CEBDHN CN(C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000268342116 190396520 /nfs/dbraw/zinc/39/65/20/190396520.db2.gz SGVWAAOJAYAERR-UHFFFAOYSA-N 0 3 290.323 2.151 20 5 CEBDHN Cc1cnc(N[C@@H]2CN(C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268208330 190386431 /nfs/dbraw/zinc/38/64/31/190386431.db2.gz YXACFJBCEBFOSE-ZYHUDNBSSA-N 0 3 276.340 2.193 20 5 CEBDHN COC(=O)C(C)(C)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000268273795 190391770 /nfs/dbraw/zinc/39/17/70/190391770.db2.gz HWGMLPDDLQLKKO-JTQLQIEISA-N 0 3 280.324 2.445 20 5 CEBDHN Cc1cc(N2CC[C@H](OCCN(C)C)C2)ccc1[N+](=O)[O-] ZINC000538937476 380247782 /nfs/dbraw/zinc/24/77/82/380247782.db2.gz XRLFHQKJVWGOAR-AWEZNQCLSA-N 0 3 293.367 2.060 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)C(N)=O ZINC000540469194 380251979 /nfs/dbraw/zinc/25/19/79/380251979.db2.gz JFFUGUAGVDZBGC-JTQLQIEISA-N 0 3 279.340 2.065 20 5 CEBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000280596159 194896565 /nfs/dbraw/zinc/89/65/65/194896565.db2.gz BTKAVPRAFSMYRY-YPMHNXCESA-N 0 3 292.335 2.416 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000301589299 394462262 /nfs/dbraw/zinc/46/22/62/394462262.db2.gz XYCWCSKEUXELFG-CYBMUJFWSA-N 0 3 273.336 2.354 20 5 CEBDHN Cc1cc(N2CCN(C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000266839301 394670565 /nfs/dbraw/zinc/67/05/65/394670565.db2.gz LIIMNZXBFYLPAO-UHFFFAOYSA-N 0 3 290.367 2.363 20 5 CEBDHN COC[C@H](NCc1csc([N+](=O)[O-])c1)C(C)C ZINC000086697689 394645004 /nfs/dbraw/zinc/64/50/04/394645004.db2.gz UZEPKLUDJAIHKF-JTQLQIEISA-N 0 3 258.343 2.417 20 5 CEBDHN COc1ccc(CN2CCN(C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000357008808 394680386 /nfs/dbraw/zinc/68/03/86/394680386.db2.gz UXNGPHLQDGGMFD-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccn(C)n1 ZINC000414091494 394700403 /nfs/dbraw/zinc/70/04/03/394700403.db2.gz DHQOBYNGTWKWPU-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N(C)CCN(C)C2CC2)c1 ZINC000274425379 394797817 /nfs/dbraw/zinc/79/78/17/394797817.db2.gz CYMAEJBARZWUGH-UHFFFAOYSA-N 0 3 279.340 2.134 20 5 CEBDHN CO[C@](C)(CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336819485 394879038 /nfs/dbraw/zinc/87/90/38/394879038.db2.gz ZZRHOHRHDISYMO-CQSZACIVSA-N 0 3 264.325 2.500 20 5 CEBDHN CN1CC[C@@]2(CCN(c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000368305446 394983824 /nfs/dbraw/zinc/98/38/24/394983824.db2.gz VSAAJLYQYUGZPU-CQSZACIVSA-N 0 3 279.315 2.266 20 5 CEBDHN C[C@H](NC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851368 395003083 /nfs/dbraw/zinc/00/30/83/395003083.db2.gz RUMBGRLSKNBTEP-QMMMGPOBSA-N 0 3 297.742 2.005 20 5 CEBDHN C[C@H]1CSC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000286151897 395015267 /nfs/dbraw/zinc/01/52/67/395015267.db2.gz VYENUSSLCVQHFN-JOYOIKCWSA-N 0 3 252.339 2.436 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339623356 394965403 /nfs/dbraw/zinc/96/54/03/394965403.db2.gz XILIECGNXRIABH-TXEJJXNPSA-N 0 3 263.341 2.119 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H](C)C1 ZINC000158495539 395046413 /nfs/dbraw/zinc/04/64/13/395046413.db2.gz HZUJLQVVYNSADH-KOLCDFICSA-N 0 3 281.360 2.014 20 5 CEBDHN CN(C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000286990619 395032233 /nfs/dbraw/zinc/03/22/33/395032233.db2.gz JOXVRXVDIXZTFJ-CQSZACIVSA-N 0 3 277.368 2.468 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000287483617 395042329 /nfs/dbraw/zinc/04/23/29/395042329.db2.gz SKIMHGIOODWYOB-LLVKDONJSA-N 0 3 252.314 2.188 20 5 CEBDHN Cc1cc(N2CC[C@@]3(C2)CCCN(C)C3)ncc1[N+](=O)[O-] ZINC000292778400 395205535 /nfs/dbraw/zinc/20/55/35/395205535.db2.gz LQEZUNNTXWEUFL-HNNXBMFYSA-N 0 3 290.367 2.220 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC000395921700 395214442 /nfs/dbraw/zinc/21/44/42/395214442.db2.gz UEQIVKJYXYQSTB-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN CC(C)C[C@@H](CO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000185317223 395277766 /nfs/dbraw/zinc/27/77/66/395277766.db2.gz BGSKKWGUAHWYLQ-ZDUSSCGKSA-N 0 3 266.341 2.434 20 5 CEBDHN CN(C)C(=O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192791586 395392616 /nfs/dbraw/zinc/39/26/16/395392616.db2.gz NGNDHVAOUNIUMU-CQSZACIVSA-N 0 3 291.351 2.040 20 5 CEBDHN CC(C)(O)CN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000189896394 395333266 /nfs/dbraw/zinc/33/32/66/395333266.db2.gz ZVBXCZVRFBAQQK-UHFFFAOYSA-N 0 3 294.351 2.209 20 5 CEBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000194683539 395445998 /nfs/dbraw/zinc/44/59/98/395445998.db2.gz JKUUFCCKQXEDFG-NSHDSACASA-N 0 3 297.380 2.213 20 5 CEBDHN COc1cc(CN(C)CC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000451247932 395598314 /nfs/dbraw/zinc/59/83/14/395598314.db2.gz CILSUERDQLLCSZ-UHFFFAOYSA-N 0 3 282.340 2.054 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000451262253 395600667 /nfs/dbraw/zinc/60/06/67/395600667.db2.gz XCHUFIXYGRUEGN-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H](CC[S@@](C)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574291911 395627505 /nfs/dbraw/zinc/62/75/05/395627505.db2.gz JMRFSGICFNIYDS-REWMRKHYSA-N 0 3 296.392 2.329 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@H](N2CCCCC2)C1 ZINC000363395762 296517180 /nfs/dbraw/zinc/51/71/80/296517180.db2.gz MVRPSQCSPSSJCX-ZDUSSCGKSA-N 0 3 290.367 2.445 20 5 CEBDHN Cn1ccnc1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000366952681 156108043 /nfs/dbraw/zinc/10/80/43/156108043.db2.gz AXQFBDPAHOTYEJ-CYBMUJFWSA-N 0 3 286.335 2.318 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCNC[C@H]1C(F)F ZINC000563135550 298741107 /nfs/dbraw/zinc/74/11/07/298741107.db2.gz MNWIAYYIXFOHHC-LQPUYASZSA-N 0 3 297.305 2.147 20 5 CEBDHN CO[C@H]1C[C@@H](CN(C)c2cc(C)ccc2[N+](=O)[O-])N(C)C1 ZINC000284504027 196071341 /nfs/dbraw/zinc/07/13/41/196071341.db2.gz ILSKNMIGQUALFG-STQMWFEESA-N 0 3 293.367 2.059 20 5 CEBDHN CO[C@@H](C)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285206968 196220448 /nfs/dbraw/zinc/22/04/48/196220448.db2.gz DIPDCNAQTQAKEI-NSHDSACASA-N 0 3 252.314 2.104 20 5 CEBDHN CCC[C@H](N[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602243 172291045 /nfs/dbraw/zinc/29/10/45/172291045.db2.gz KPGHISIHKSJWQS-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H](NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037177000 173010482 /nfs/dbraw/zinc/01/04/82/173010482.db2.gz ZLTXUHOMVFKIGR-MFKMUULPSA-N 0 3 250.298 2.424 20 5 CEBDHN CC[C@@H](NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060577 174071404 /nfs/dbraw/zinc/07/14/04/174071404.db2.gz YVHUJWXPCGHHNP-ZIAGYGMSSA-N 0 3 280.324 2.051 20 5 CEBDHN C[C@H](N[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672681 174370617 /nfs/dbraw/zinc/37/06/17/174370617.db2.gz QEABEDVAOVTKEP-AAEUAGOBSA-N 0 3 263.341 2.340 20 5 CEBDHN COc1ccc(CN[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045134152 175311928 /nfs/dbraw/zinc/31/19/28/175311928.db2.gz FGXHQGNNIACUPY-GFCCVEGCSA-N 0 3 250.298 2.492 20 5 CEBDHN C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CO1 ZINC000517757577 260216099 /nfs/dbraw/zinc/21/60/99/260216099.db2.gz TWMBSKZEBCPWTR-GBIKHYSHSA-N 0 3 262.309 2.349 20 5 CEBDHN Cc1c(CN2C[C@H](CO)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000398885811 270364232 /nfs/dbraw/zinc/36/42/32/270364232.db2.gz BXLRHLCMGIGSJQ-WCQYABFASA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@@H](NC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851366 270962013 /nfs/dbraw/zinc/96/20/13/270962013.db2.gz RUMBGRLSKNBTEP-MRVPVSSYSA-N 0 3 297.742 2.005 20 5 CEBDHN CC[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000428429134 271264835 /nfs/dbraw/zinc/26/48/35/271264835.db2.gz ZTIPQMZNMJTYBS-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)C1 ZINC000430211270 271363215 /nfs/dbraw/zinc/36/32/15/271363215.db2.gz XJKOCYHJBWILNH-JTQLQIEISA-N 0 3 250.298 2.445 20 5 CEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335829 274612510 /nfs/dbraw/zinc/61/25/10/274612510.db2.gz LSRLQHPGIYIEBU-VHSXEESVSA-N 0 3 282.369 2.114 20 5 CEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590225 274639207 /nfs/dbraw/zinc/63/92/07/274639207.db2.gz YXCOFRIPGPNXCO-UWVGGRQHSA-N 0 3 282.369 2.114 20 5 CEBDHN CC(C)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000041664526 275587146 /nfs/dbraw/zinc/58/71/46/275587146.db2.gz NUPFLXQMXZAPGX-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000348699076 276310031 /nfs/dbraw/zinc/31/00/31/276310031.db2.gz AGSUQBXHRRKCAZ-VFFGBVLKSA-N 0 3 264.325 2.311 20 5 CEBDHN COC(=O)[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272271859 277353996 /nfs/dbraw/zinc/35/39/96/277353996.db2.gz DEWVURCIFSPCRD-NWDGAFQWSA-N 0 3 292.335 2.459 20 5 CEBDHN C[C@@H](NCC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000094259808 278340280 /nfs/dbraw/zinc/34/02/80/278340280.db2.gz YGDCWGWGHJRYTC-SNVBAGLBSA-N 0 3 250.298 2.282 20 5 CEBDHN CCN(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000054110175 279033537 /nfs/dbraw/zinc/03/35/37/279033537.db2.gz WAHUICYATFGULX-LLVKDONJSA-N 0 3 251.330 2.197 20 5 CEBDHN C[C@H](CN(C)C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235449902 279280721 /nfs/dbraw/zinc/28/07/21/279280721.db2.gz ADXYQUOMGRVKKF-SSDOTTSWSA-N 0 3 292.261 2.371 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC2(CO)CCCC2)cc1 ZINC000160077345 280364489 /nfs/dbraw/zinc/36/44/89/280364489.db2.gz JMUOKYCCLDAZIF-UHFFFAOYSA-N 0 3 264.325 2.237 20 5 CEBDHN Cc1cccc(N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000365057290 281229916 /nfs/dbraw/zinc/22/99/16/281229916.db2.gz VLSUJGQLCRWGMF-TZMCWYRMSA-N 0 3 275.352 2.434 20 5 CEBDHN COCC[C@@]1(NCc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000447066892 281801987 /nfs/dbraw/zinc/80/19/87/281801987.db2.gz GQFZUEHZCQQOPF-OAHLLOKOSA-N 0 3 294.351 2.188 20 5 CEBDHN COc1cc(CNC(C)(C)CN(C)C)c([N+](=O)[O-])cc1F ZINC000459551915 290177324 /nfs/dbraw/zinc/17/73/24/290177324.db2.gz UHVGICFSTWYBPW-UHFFFAOYSA-N 0 3 299.346 2.172 20 5 CEBDHN C[C@H]1C[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283421 290387247 /nfs/dbraw/zinc/38/72/47/290387247.db2.gz KCKQXFRSHVPUJF-STQMWFEESA-N 0 3 275.352 2.373 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(CCO)CC1 ZINC000544608083 298324564 /nfs/dbraw/zinc/32/45/64/298324564.db2.gz OAKWMKHHFSMENJ-UHFFFAOYSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(CC[C@H]1CCOC1)C2 ZINC000527116952 313168317 /nfs/dbraw/zinc/16/83/17/313168317.db2.gz NDRHTHBXIXNBBL-LBPRGKRZSA-N 0 3 276.336 2.380 20 5 CEBDHN C[C@]1(F)CNCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000573549774 314166059 /nfs/dbraw/zinc/16/60/59/314166059.db2.gz ZZCJVQTWAWFFAO-LBPRGKRZSA-N 0 3 287.722 2.386 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137171 314209105 /nfs/dbraw/zinc/20/91/05/314209105.db2.gz QVHGKLBHTQSQRD-WDEREUQCSA-N 0 3 279.340 2.078 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000576155799 314247841 /nfs/dbraw/zinc/24/78/41/314247841.db2.gz HJYADFJVUXVAMS-ABAIWWIYSA-N 0 3 292.335 2.214 20 5 CEBDHN CC(C)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000581262352 322382838 /nfs/dbraw/zinc/38/28/38/322382838.db2.gz UDDWGQDXTLCQSH-UHFFFAOYSA-N 0 3 291.351 2.084 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCCC2)c(F)c1 ZINC000583190908 322529923 /nfs/dbraw/zinc/52/99/23/322529923.db2.gz JWAUPAJXLLDMFC-NSHDSACASA-N 0 3 294.330 2.194 20 5 CEBDHN Cc1ccc(CNC[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000171841988 534064101 /nfs/dbraw/zinc/06/41/01/534064101.db2.gz PQSXBFSPKGWIBG-CQSZACIVSA-N 0 3 266.341 2.400 20 5 CEBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000052812529 521581911 /nfs/dbraw/zinc/58/19/11/521581911.db2.gz HMRMEHUEICWECJ-UHFFFAOYSA-N 0 3 264.329 2.194 20 5 CEBDHN CC[C@H](C)[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051736 521936817 /nfs/dbraw/zinc/93/68/17/521936817.db2.gz XZRDDKDRWVWSOP-UWVGGRQHSA-N 0 3 279.340 2.218 20 5 CEBDHN CO[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000363676409 523972394 /nfs/dbraw/zinc/97/23/94/523972394.db2.gz PFDZMZSUFBRARI-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C)(O)CC1 ZINC000183351843 525563980 /nfs/dbraw/zinc/56/39/80/525563980.db2.gz ILLCJODBHOHAOF-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1nn(CN2C[C@@H](C)[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751923802 575301222 /nfs/dbraw/zinc/30/12/22/575301222.db2.gz BLRQXCVRNSWQDK-NXEZZACHSA-N 0 3 289.339 2.193 20 5 CEBDHN CC(COC(=O)[C@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813099745 623017193 /nfs/dbraw/zinc/01/71/93/623017193.db2.gz BTJXKQFPELJMMW-GWCFXTLKSA-N 0 3 263.293 2.315 20 5 CEBDHN CC(COC(=O)C(C)(C)Oc1ccc(F)cc1)[N+](=O)[O-] ZINC000813104023 623020634 /nfs/dbraw/zinc/02/06/34/623020634.db2.gz JBDNIRDODIBTPV-VIFPVBQESA-N 0 3 285.271 2.192 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCC(C)CC1 ZINC000891830094 624003078 /nfs/dbraw/zinc/00/30/78/624003078.db2.gz MIQGPUPOGSRUHB-UHFFFAOYSA-N 0 3 294.355 2.142 20 5 CEBDHN CO[C@@H]1CC[C@H]1N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124401 624245234 /nfs/dbraw/zinc/24/52/34/624245234.db2.gz HSQQJYYGYHXMKY-DGCLKSJQSA-N 0 3 280.324 2.083 20 5 CEBDHN CO[C@H]1CC[C@@H]1N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000934124400 624245503 /nfs/dbraw/zinc/24/55/03/624245503.db2.gz HSQQJYYGYHXMKY-AAEUAGOBSA-N 0 3 280.324 2.083 20 5 CEBDHN CO[C@H]1CC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124019 624246796 /nfs/dbraw/zinc/24/67/96/624246796.db2.gz GSDDEWIFNKPZPE-STQMWFEESA-N 0 3 250.298 2.204 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CCCC1 ZINC000084439758 624265038 /nfs/dbraw/zinc/26/50/38/624265038.db2.gz OEZCLTOHJBGDGD-UHFFFAOYSA-N 0 3 283.759 2.434 20 5 CEBDHN CCn1cnc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000902195006 634519929 /nfs/dbraw/zinc/51/99/29/634519929.db2.gz JUUSENQMIQCZLF-UHFFFAOYSA-N 0 3 274.324 2.144 20 5 CEBDHN Cc1nc(C2CC2)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893044470 627964488 /nfs/dbraw/zinc/96/44/88/627964488.db2.gz JLIUHNVPMVZBOZ-QMMMGPOBSA-N 0 3 264.281 2.089 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)[C@H](C)CO ZINC000877527176 629178506 /nfs/dbraw/zinc/17/85/06/629178506.db2.gz PRRQXMAGXNJCSS-SNVBAGLBSA-N 0 3 252.314 2.024 20 5 CEBDHN COC(=O)CC(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000237132707 629305363 /nfs/dbraw/zinc/30/53/63/629305363.db2.gz LVPRKDLBTHRGQQ-UHFFFAOYSA-N 0 3 266.297 2.026 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)[C@H]2C)c1C ZINC000928430073 629566631 /nfs/dbraw/zinc/56/66/31/629566631.db2.gz ZOYJOQLHQQSUFC-NWDGAFQWSA-N 0 3 291.351 2.034 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC2CC(CCO)C2)c(Cl)c1 ZINC000898012151 632002389 /nfs/dbraw/zinc/00/23/89/632002389.db2.gz ZEFHSMVRXGPVBE-UHFFFAOYSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1nc(CC(C)C)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104317 632622633 /nfs/dbraw/zinc/62/26/33/632622633.db2.gz MIUPWJOKKACILK-MRVPVSSYSA-N 0 3 270.285 2.004 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2n1 ZINC000813103602 632622712 /nfs/dbraw/zinc/62/27/12/632622712.db2.gz RDZUIDKYXNYQBK-JTQLQIEISA-N 0 3 274.276 2.365 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1c(F)cccc1F)[N+](=O)[O-] ZINC000813104359 632622955 /nfs/dbraw/zinc/62/29/55/632622955.db2.gz ZCXYSPLMMSRMSB-SFYZADRCSA-N 0 3 273.235 2.277 20 5 CEBDHN CC(COC(=O)Cc1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813105470 632623395 /nfs/dbraw/zinc/62/33/95/632623395.db2.gz MQMQCHBWIOXITE-SSDOTTSWSA-N 0 3 275.663 2.230 20 5 CEBDHN CC(COC(=O)COc1ccc(F)cc1Cl)[N+](=O)[O-] ZINC000813106084 632623841 /nfs/dbraw/zinc/62/38/41/632623841.db2.gz YBXRBCULBWNADS-ZETCQYMHSA-N 0 3 291.662 2.066 20 5 CEBDHN CC[C@@H](OC1CCCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107626 632624382 /nfs/dbraw/zinc/62/43/82/632624382.db2.gz PKQVBVCUHGEXLT-CMPLNLGQSA-N 0 3 273.329 2.323 20 5 CEBDHN CC(COC(=O)CCc1ccc2[nH]ccc2c1)[N+](=O)[O-] ZINC000813107102 632624457 /nfs/dbraw/zinc/62/44/57/632624457.db2.gz JRZMDCZHAXLNAA-SNVBAGLBSA-N 0 3 276.292 2.309 20 5 CEBDHN CC(COC(=O)C(C)(C)COCc1ccccc1)[N+](=O)[O-] ZINC000813107977 632624970 /nfs/dbraw/zinc/62/49/70/632624970.db2.gz SNZVCNOSIFKBNU-GFCCVEGCSA-N 0 3 295.335 2.438 20 5 CEBDHN CC(COC(=O)C[C@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813108976 632625377 /nfs/dbraw/zinc/62/53/77/632625377.db2.gz NJCQJJGEWQENBX-HTQZYQBOSA-N 0 3 251.229 2.020 20 5 CEBDHN CC(COC(=O)c1cnc(-c2ccco2)s1)[N+](=O)[O-] ZINC000813108739 632625936 /nfs/dbraw/zinc/62/59/36/632625936.db2.gz LHWIPPAWANKWKI-SSDOTTSWSA-N 0 3 282.277 2.225 20 5 CEBDHN CC(COC(=O)C1(c2ccccc2F)CC1)[N+](=O)[O-] ZINC000813110650 632626336 /nfs/dbraw/zinc/62/63/36/632626336.db2.gz GPGYGNSZNUOYMQ-SECBINFHSA-N 0 3 267.256 2.066 20 5 CEBDHN CC(COC(=O)c1ccc([C@H]2CCCOC2)cc1)[N+](=O)[O-] ZINC000813109718 632626623 /nfs/dbraw/zinc/62/66/23/632626623.db2.gz OFUYTGKKBDQWSN-RISCZKNCSA-N 0 3 293.319 2.403 20 5 CEBDHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1OCC ZINC000813110243 632626809 /nfs/dbraw/zinc/62/68/09/632626809.db2.gz VNQGLTNEFAOWNG-JTQLQIEISA-N 0 3 297.307 2.306 20 5 CEBDHN CC(COC(=O)C1(C(F)F)CCCC1)[N+](=O)[O-] ZINC000813111136 632627849 /nfs/dbraw/zinc/62/78/49/632627849.db2.gz OJPBCFSZSKVGKJ-SSDOTTSWSA-N 0 3 251.229 2.020 20 5 CEBDHN CC(COC(=O)CCCc1cc(F)ccc1F)[N+](=O)[O-] ZINC000813115553 632629561 /nfs/dbraw/zinc/62/95/61/632629561.db2.gz VBHBHBGWMBXDLV-SECBINFHSA-N 0 3 287.262 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2noc(C34CCC(CC3)N4)n2)cc1 ZINC000899995235 633164461 /nfs/dbraw/zinc/16/44/61/633164461.db2.gz WYYXQRCIBVZKHE-UHFFFAOYSA-N 0 3 286.291 2.386 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCC[C@H]1O ZINC000323609446 633186982 /nfs/dbraw/zinc/18/69/82/633186982.db2.gz AWTYQBJNWFBVPH-ZYHUDNBSSA-N 0 3 270.716 2.251 20 5 CEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cn(C)cn1 ZINC000903350378 635079341 /nfs/dbraw/zinc/07/93/41/635079341.db2.gz BLCOJAKHTPMXOR-SNVBAGLBSA-N 0 3 292.314 2.188 20 5 CEBDHN CCN1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910293624 637997872 /nfs/dbraw/zinc/99/78/72/637997872.db2.gz PUVDOTGTHDVTPJ-LBPRGKRZSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@H](O)C[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109174 639617707 /nfs/dbraw/zinc/61/77/07/639617707.db2.gz FKNBHNRMHLOVCH-IUCAKERBSA-N 0 3 272.732 2.497 20 5 CEBDHN CC(COC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000842363812 640030573 /nfs/dbraw/zinc/03/05/73/640030573.db2.gz PCYCMNYIMMXVFD-QKCSRTOESA-N 0 3 263.293 2.389 20 5 CEBDHN CN(C)CC1(c2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000924004590 640474050 /nfs/dbraw/zinc/47/40/50/640474050.db2.gz HVKACNBBJOCWMX-UHFFFAOYSA-N 0 3 294.336 2.300 20 5 CEBDHN CC(COC(=O)C[C@@]1(C)CC1(Cl)Cl)[N+](=O)[O-] ZINC000835455115 640511000 /nfs/dbraw/zinc/51/10/00/640511000.db2.gz MTICKPXBNXBLCT-XPUUQOCRSA-N 0 3 270.112 2.169 20 5 CEBDHN CC([C@H](OC(=O)C1=COCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879428 641117938 /nfs/dbraw/zinc/11/79/38/641117938.db2.gz VBATXWREKLIPLE-ZANVPECISA-N 0 3 295.266 2.379 20 5 CEBDHN CC(COC(=O)C[C@@H](C)N1CCc2ccccc21)[N+](=O)[O-] ZINC000847714409 641748637 /nfs/dbraw/zinc/74/86/37/641748637.db2.gz UABZFXHCBDAWFE-NEPJUHHUSA-N 0 3 292.335 2.036 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1COC(C)(C)O1 ZINC000852018150 643267030 /nfs/dbraw/zinc/26/70/30/643267030.db2.gz JDHDFLTVLXYXPR-AWEZNQCLSA-N 0 3 294.351 2.221 20 5 CEBDHN C[C@@H]1C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754100868 644325171 /nfs/dbraw/zinc/32/51/71/644325171.db2.gz JJYIPGJNGIPVGB-OLZOCXBDSA-N 0 3 275.352 2.373 20 5 CEBDHN CC(COC(=O)c1cccc(OC(C)(C)C)n1)[N+](=O)[O-] ZINC000860776287 645901805 /nfs/dbraw/zinc/90/18/05/645901805.db2.gz DHVQOLGFTOGMRN-SECBINFHSA-N 0 3 282.296 2.081 20 5 CEBDHN CCOC(=O)C1=CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000862487900 646478209 /nfs/dbraw/zinc/47/82/09/646478209.db2.gz XPIWEFJUOWHQDT-CYBMUJFWSA-N 0 3 290.319 2.336 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865692857 647426282 /nfs/dbraw/zinc/42/62/82/647426282.db2.gz GVWONGDTSALUTQ-JQPXUNLUSA-N 0 3 274.320 2.108 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@@H](O)C1 ZINC000872079137 649266174 /nfs/dbraw/zinc/26/61/74/649266174.db2.gz VFHCADLSHVXROP-KKZNHRDASA-N 0 3 282.365 2.491 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000882072477 651952278 /nfs/dbraw/zinc/95/22/78/651952278.db2.gz FIBHGXBSPWTOAM-RKDXNWHRSA-N 0 3 280.303 2.166 20 5 CEBDHN COc1cc(C[NH2+]C[C@@H]2C=CCC2)c([N+](=O)[O-])cc1[O-] ZINC000883238543 652410706 /nfs/dbraw/zinc/41/07/06/652410706.db2.gz FYOODBNNEATUAV-SNVBAGLBSA-N 0 3 278.308 2.365 20 5 CEBDHN CCO[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@H]1OC ZINC000300135410 806471343 /nfs/dbraw/zinc/47/13/43/806471343.db2.gz RXMJHKRDKBPAHL-NWANDNLSSA-N 0 3 294.351 2.185 20 5 CEBDHN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000712556470 814766778 /nfs/dbraw/zinc/76/67/78/814766778.db2.gz KASYBDPRHQAFHK-SNVBAGLBSA-N 0 3 272.308 2.259 20 5 CEBDHN CN1CCC(Oc2ccnc(Cl)c2[N+](=O)[O-])CC1 ZINC000710629830 805029110 /nfs/dbraw/zinc/02/91/10/805029110.db2.gz GFERCZORYJADBP-UHFFFAOYSA-N 0 3 271.704 2.116 20 5 CEBDHN CC1(C)CO[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000708385708 809928989 /nfs/dbraw/zinc/92/89/89/809928989.db2.gz FVKSPRJTXYOEAY-LBPRGKRZSA-N 0 3 264.325 2.500 20 5 CEBDHN Cc1ccc(C(=O)CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168982924 811309444 /nfs/dbraw/zinc/30/94/44/811309444.db2.gz JFHHWXGKXSEKCV-TZMCWYRMSA-N 0 3 276.336 2.213 20 5 CEBDHN O=C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2CCCC[C@H]12 ZINC001169007588 811332318 /nfs/dbraw/zinc/33/23/18/811332318.db2.gz OIBNIIQAQUOFNJ-RFQIPJPRSA-N 0 3 280.368 2.265 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1nccn1C ZINC001173217313 815625100 /nfs/dbraw/zinc/62/51/00/815625100.db2.gz STIVJNVUNVYJBF-LLVKDONJSA-N 0 3 274.324 2.049 20 5 CEBDHN CCN1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000032806592 361757143 /nfs/dbraw/zinc/75/71/43/361757143.db2.gz ZBTAINUNUDBSJV-VIFPVBQESA-N 0 3 295.368 2.200 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCCCCCO ZINC000083392011 178398747 /nfs/dbraw/zinc/39/87/47/178398747.db2.gz SVAIBALDXCAAOR-UHFFFAOYSA-N 0 3 252.314 2.237 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000125595141 187192322 /nfs/dbraw/zinc/19/23/22/187192322.db2.gz VAEFEDYREJPVIC-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN CN(C)CCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000080684748 344020516 /nfs/dbraw/zinc/02/05/16/344020516.db2.gz CVPVDSCJLWWEGA-UHFFFAOYSA-N 0 3 257.721 2.246 20 5 CEBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000008318271 343362366 /nfs/dbraw/zinc/36/23/66/343362366.db2.gz KJNCBVOLDHCUOS-LBPRGKRZSA-N 0 3 289.339 2.043 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC[C@H]2CCCO2)c1 ZINC000037988775 343432536 /nfs/dbraw/zinc/43/25/36/343432536.db2.gz BECKQJYUSGYWAD-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN COCCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000068910863 343776965 /nfs/dbraw/zinc/77/69/65/343776965.db2.gz LUIFXDUXALJXOQ-LBPRGKRZSA-N 0 3 297.330 2.257 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332770 343947776 /nfs/dbraw/zinc/94/77/76/343947776.db2.gz IAFSZGJFLVATSZ-NEPJUHHUSA-N 0 3 278.356 2.156 20 5 CEBDHN Cc1ccc([C@H](C)NCCn2cccn2)cc1[N+](=O)[O-] ZINC000049074985 362331917 /nfs/dbraw/zinc/33/19/17/362331917.db2.gz LGBHXZJSACGBSN-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN Cn1cc(CN2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])n1 ZINC000602448680 347037354 /nfs/dbraw/zinc/03/73/54/347037354.db2.gz LYTSCGWLAUZYFQ-CYBMUJFWSA-N 0 3 278.356 2.483 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)CC1CC1 ZINC000092505876 344192586 /nfs/dbraw/zinc/19/25/86/344192586.db2.gz LLTDXYSEGNRDJR-HWKANZROSA-N 0 3 276.336 2.312 20 5 CEBDHN COc1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000113540388 344277406 /nfs/dbraw/zinc/27/74/06/344277406.db2.gz PZASQQVFJKITCK-UHFFFAOYSA-N 0 3 279.340 2.134 20 5 CEBDHN Cn1cc(CN2CCC[C@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602465552 347044204 /nfs/dbraw/zinc/04/42/04/347044204.db2.gz RVLQSNUVVKSRTF-LBPRGKRZSA-N 0 3 264.329 2.093 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134934243 344378886 /nfs/dbraw/zinc/37/88/86/344378886.db2.gz FPGWJQIZNFUSMY-LLVKDONJSA-N 0 3 297.742 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](CO)CC2)cc1 ZINC000293127688 344690926 /nfs/dbraw/zinc/69/09/26/344690926.db2.gz MRCXVBDYXQNAEO-ZDUSSCGKSA-N 0 3 264.325 2.189 20 5 CEBDHN CCC1(CC)[C@@H](NCc2cn(C)nc2[N+](=O)[O-])C[C@@H]1OC ZINC000602573227 347083456 /nfs/dbraw/zinc/08/34/56/347083456.db2.gz ZGBLJITXTUIODD-RYUDHWBXSA-N 0 3 296.371 2.012 20 5 CEBDHN C[C@@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305708 344872205 /nfs/dbraw/zinc/87/22/05/344872205.db2.gz KDHWMTGIGNGTCF-MXWKQRLJSA-N 0 3 250.298 2.423 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](CCCO)C2)c1 ZINC000449789689 282368650 /nfs/dbraw/zinc/36/86/50/282368650.db2.gz ICKJFGTZQBFUSZ-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN CC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)N(C)C ZINC000127282775 187293983 /nfs/dbraw/zinc/29/39/83/187293983.db2.gz LSBBKOYNUOHCTR-WCQYABFASA-N 0 3 293.367 2.421 20 5 CEBDHN C[C@H]1CN2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744291 344982645 /nfs/dbraw/zinc/98/26/45/344982645.db2.gz UTUPPIFWPRDIGJ-WCQYABFASA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@H](CO)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590020761 345110748 /nfs/dbraw/zinc/11/07/48/345110748.db2.gz GCILIKVECFDZHJ-JTQLQIEISA-N 0 3 252.314 2.048 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590053184 345111491 /nfs/dbraw/zinc/11/14/91/345111491.db2.gz POJQXGJCRXTDSO-AKQQZBDFSA-N 0 3 288.347 2.168 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000591147464 345224996 /nfs/dbraw/zinc/22/49/96/345224996.db2.gz CODBXWCVKFJCTK-GWCFXTLKSA-N 0 3 296.346 2.295 20 5 CEBDHN CC[C@@H](C)C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000592375779 345347657 /nfs/dbraw/zinc/34/76/57/345347657.db2.gz ZSUKGBFLFLITKS-YPMHNXCESA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@@H](CO)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000593084601 345435812 /nfs/dbraw/zinc/43/58/12/345435812.db2.gz SMRVWJCWOODWFU-LBPRGKRZSA-N 0 3 278.352 2.435 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](CO)CCF ZINC000593685097 345520835 /nfs/dbraw/zinc/52/08/35/345520835.db2.gz FFYGJNQTJOSMIK-YLBKJLTLSA-N 0 3 282.315 2.308 20 5 CEBDHN CC[C@](C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495748 345638086 /nfs/dbraw/zinc/63/80/86/345638086.db2.gz VERBIAFHJQLVSQ-JSGCOSHPSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@@H](O)CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594613153 345662198 /nfs/dbraw/zinc/66/21/98/345662198.db2.gz ABMDTWDMIOAGOZ-TXNVCOODSA-N 0 3 276.336 2.453 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@H](O)C1 ZINC000595105021 345742792 /nfs/dbraw/zinc/74/27/92/345742792.db2.gz VEEBTLSMVKZBQF-CKYFFXLPSA-N 0 3 250.298 2.077 20 5 CEBDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594926850 345704833 /nfs/dbraw/zinc/70/48/33/345704833.db2.gz WATAIKZQVSVQLX-DUBDDPSESA-N 0 3 292.335 2.443 20 5 CEBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594968960 345719519 /nfs/dbraw/zinc/71/95/19/345719519.db2.gz XZMRPGDFKVMDDW-QAJFTPDKSA-N 0 3 296.392 2.374 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C1(CO)CC1 ZINC000594969925 345719702 /nfs/dbraw/zinc/71/97/02/345719702.db2.gz UEOSPMLSZCIGRH-LLVKDONJSA-N 0 3 264.325 2.154 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCO[C@@H]2CC2(F)F)c1 ZINC000594970794 345719854 /nfs/dbraw/zinc/71/98/54/345719854.db2.gz NICCYKCTDYEKEV-LLVKDONJSA-N 0 3 272.251 2.109 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)O ZINC000595021021 345728670 /nfs/dbraw/zinc/72/86/70/345728670.db2.gz WKIDFMYTNSXVON-VIFPVBQESA-N 0 3 268.313 2.025 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccco3)CC2)n1 ZINC000595618923 345829334 /nfs/dbraw/zinc/82/93/34/345829334.db2.gz WKSMWKYFEZAFIJ-UHFFFAOYSA-N 0 3 290.323 2.264 20 5 CEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595875533 345904151 /nfs/dbraw/zinc/90/41/51/345904151.db2.gz QMKCGDHMHBXILO-FZMZJTMJSA-N 0 3 264.325 2.045 20 5 CEBDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086217 345936476 /nfs/dbraw/zinc/93/64/76/345936476.db2.gz WIBJGHRNRCUACC-GHMZBOCLSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086217 345936478 /nfs/dbraw/zinc/93/64/78/345936478.db2.gz WIBJGHRNRCUACC-GHMZBOCLSA-N 0 3 294.355 2.228 20 5 CEBDHN CCc1nn(C)c(NC[C@@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000596305858 345995030 /nfs/dbraw/zinc/99/50/30/345995030.db2.gz BLWWKFMNHVTHNG-JTQLQIEISA-N 0 3 295.387 2.175 20 5 CEBDHN CCN1CCCN(c2ncc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000596269548 345986481 /nfs/dbraw/zinc/98/64/81/345986481.db2.gz SGYDYMOEHWMKFW-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(CC)C[C@H]1C ZINC000596268256 345986534 /nfs/dbraw/zinc/98/65/34/345986534.db2.gz HEKIBZGFDOISLU-LLVKDONJSA-N 0 3 295.387 2.040 20 5 CEBDHN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000596455439 346028241 /nfs/dbraw/zinc/02/82/41/346028241.db2.gz ZIXCTLVMNYHUNN-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493267204 290772058 /nfs/dbraw/zinc/77/20/58/290772058.db2.gz OBYFZZVALVNGOR-CMDGGOBGSA-N 0 3 291.351 2.064 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2COC[C@]2(C)C1 ZINC000597212337 346150259 /nfs/dbraw/zinc/15/02/59/346150259.db2.gz UNWHLEXDIKRFQJ-ZFWWWQNUSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)[C@@](C)(CO)C2)cc1[N+](=O)[O-] ZINC000597237061 346158300 /nfs/dbraw/zinc/15/83/00/346158300.db2.gz WIOMLMSYTJLQER-IUODEOHRSA-N 0 3 278.352 2.354 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(F)F ZINC000295130727 199362278 /nfs/dbraw/zinc/36/22/78/199362278.db2.gz YAPSPAWBPYHJOE-VXGBXAGGSA-N 0 3 288.294 2.397 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCN(C)C1 ZINC000597945996 346256035 /nfs/dbraw/zinc/25/60/35/346256035.db2.gz MBMRHDWSTLVVGT-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000597945007 346256168 /nfs/dbraw/zinc/25/61/68/346256168.db2.gz GIVBUNXFVLENON-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN COCCN(C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000061375975 362679079 /nfs/dbraw/zinc/67/90/79/362679079.db2.gz PXPIQPNUWQLEKG-CYBMUJFWSA-N 0 3 295.383 2.132 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H](C)N1 ZINC000598535863 346371886 /nfs/dbraw/zinc/37/18/86/346371886.db2.gz KDDPDHIOKYSSCZ-NWDGAFQWSA-N 0 3 291.351 2.116 20 5 CEBDHN O=[N+]([O-])c1cnccc1NC[C@H]1CCN1C1CCCCC1 ZINC000599125731 346463969 /nfs/dbraw/zinc/46/39/69/346463969.db2.gz ATSMJHBEOXMRNX-CYBMUJFWSA-N 0 3 290.367 2.231 20 5 CEBDHN Cc1cc(NC[C@H]2CCN2C2CCCC2)ncc1[N+](=O)[O-] ZINC000599166600 346471445 /nfs/dbraw/zinc/47/14/45/346471445.db2.gz YMGBEHSUQDHLRK-CYBMUJFWSA-N 0 3 290.367 2.149 20 5 CEBDHN C[C@]12CCCC[C@H]1CN2CCn1ccc([N+](=O)[O-])n1 ZINC000599674274 346561323 /nfs/dbraw/zinc/56/13/23/346561323.db2.gz AFGTZBSPDQVWKG-AAEUAGOBSA-N 0 3 264.329 2.056 20 5 CEBDHN O=[N+]([O-])c1ccc(CO)c(-c2ccc3c(c2)CCNC3)c1 ZINC000600783737 346689995 /nfs/dbraw/zinc/68/99/95/346689995.db2.gz WMGCPPAFZGSFHQ-UHFFFAOYSA-N 0 3 284.315 2.400 20 5 CEBDHN CN(CCN1CCCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601182268 346779862 /nfs/dbraw/zinc/77/98/62/346779862.db2.gz RXYAOFMIDRGBEM-UHFFFAOYSA-N 0 3 282.319 2.051 20 5 CEBDHN CC[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])N1CCCC1 ZINC000601103884 346753128 /nfs/dbraw/zinc/75/31/28/346753128.db2.gz KYPUNNOPUWYLHD-NSHDSACASA-N 0 3 282.319 2.415 20 5 CEBDHN CC(C)O[C@H]1C[C@@H](NCc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC000602616199 347104401 /nfs/dbraw/zinc/10/44/01/347104401.db2.gz ILHSBKRBAGPBHO-NEPJUHHUSA-N 0 3 296.371 2.010 20 5 CEBDHN Cc1n[nH]cc1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000602941050 347252915 /nfs/dbraw/zinc/25/29/15/347252915.db2.gz ZWASYOOOCXSGND-UHFFFAOYSA-N 0 3 274.324 2.301 20 5 CEBDHN CC(C)[C@@H](N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185819 347303287 /nfs/dbraw/zinc/30/32/87/347303287.db2.gz NZTKMMVXZZHPGD-IINYFYTJSA-N 0 3 289.339 2.451 20 5 CEBDHN CC(C)[C@H](N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220938 347313425 /nfs/dbraw/zinc/31/34/25/347313425.db2.gz XSCNVRISBZTMCQ-HZMBPMFUSA-N 0 3 289.339 2.451 20 5 CEBDHN C[C@H]1CCCCN1CCNc1cccnc1[N+](=O)[O-] ZINC000603858323 347392745 /nfs/dbraw/zinc/39/27/45/347392745.db2.gz QPKVJSIHPHASKB-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](CCO)C2)c1 ZINC000609204402 347630733 /nfs/dbraw/zinc/63/07/33/347630733.db2.gz MXINGRWUTFEDHI-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN CC(C)(C)CN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000609317385 347634123 /nfs/dbraw/zinc/63/41/23/347634123.db2.gz YSMXBHIZAWXUTC-UHFFFAOYSA-N 0 3 296.367 2.314 20 5 CEBDHN CCn1cnnc1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611336013 347767487 /nfs/dbraw/zinc/76/74/87/347767487.db2.gz MGTPFEBOCWWNJJ-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCCC2)n1 ZINC000611615569 347799274 /nfs/dbraw/zinc/79/92/74/347799274.db2.gz CNNIHOIJVQFERJ-UHFFFAOYSA-N 0 3 264.329 2.114 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000612134772 347848178 /nfs/dbraw/zinc/84/81/78/347848178.db2.gz CRALIIMQZZFCIC-WCUVEOEZSA-N 0 3 276.336 2.359 20 5 CEBDHN C[C@@H](F)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872611 219232753 /nfs/dbraw/zinc/23/27/53/219232753.db2.gz FCSYHBWEWLHABR-GHMZBOCLSA-N 0 3 282.319 2.224 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCOCC1 ZINC000086874333 179364989 /nfs/dbraw/zinc/36/49/89/179364989.db2.gz BRFIJANBGPNYEN-GFCCVEGCSA-N 0 3 250.298 2.254 20 5 CEBDHN Cc1nn(CCN2C[C@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000568770360 299152778 /nfs/dbraw/zinc/15/27/78/299152778.db2.gz UIHCVSVZTRPOEN-GHMZBOCLSA-N 0 3 280.372 2.386 20 5 CEBDHN COc1cc(C[NH2+]CC[C@@H](C)F)c([N+](=O)[O-])cc1[O-] ZINC000339498010 215210955 /nfs/dbraw/zinc/21/09/55/215210955.db2.gz MPFBKAYJPDHHPK-MRVPVSSYSA-N 0 3 272.276 2.147 20 5 CEBDHN CCOc1cc(CN(C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000617201110 348647890 /nfs/dbraw/zinc/64/78/90/348647890.db2.gz LUYSGSXIYNMKJJ-UHFFFAOYSA-N 0 3 282.340 2.196 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc([N+](=O)[O-])c1 ZINC000105328143 186052922 /nfs/dbraw/zinc/05/29/22/186052922.db2.gz ZHZOECDUGDPTHZ-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CCOCCN(CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000107679006 186184638 /nfs/dbraw/zinc/18/46/38/186184638.db2.gz VSHSNMOMDZHBMR-UHFFFAOYSA-N 0 3 282.340 2.332 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCc2cscn2)c1 ZINC000108941976 186236711 /nfs/dbraw/zinc/23/67/11/186236711.db2.gz WNDDCRPNMGSAOO-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000271403396 191118084 /nfs/dbraw/zinc/11/80/84/191118084.db2.gz WEXOUWWWNQGAMO-RZRUPYEKSA-N 0 3 276.336 2.311 20 5 CEBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154134396 188125303 /nfs/dbraw/zinc/12/53/03/188125303.db2.gz VEYZDFSFZGTODM-VIFPVBQESA-N 0 3 299.758 2.062 20 5 CEBDHN Cc1cc(N[C@@H](C)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000292488592 198307268 /nfs/dbraw/zinc/30/72/68/198307268.db2.gz DXISGDGAAIZYBT-VIFPVBQESA-N 0 3 255.293 2.404 20 5 CEBDHN CC(C)[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCN1C ZINC000487939333 290368302 /nfs/dbraw/zinc/36/83/02/290368302.db2.gz AJUHRLKJKRLKNI-GFCCVEGCSA-N 0 3 283.397 2.428 20 5 CEBDHN CCOc1cccc(NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000134908082 366370905 /nfs/dbraw/zinc/37/09/05/366370905.db2.gz KPIJMNDBJVUMMX-JTQLQIEISA-N 0 3 267.329 2.356 20 5 CEBDHN CC[C@@H](CO)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294686056 199133939 /nfs/dbraw/zinc/13/39/39/199133939.db2.gz BMQLJDXYZRNKSS-CFNZNRNTSA-N 0 3 264.325 2.311 20 5 CEBDHN C[C@@H](NC[C@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906832 199242497 /nfs/dbraw/zinc/24/24/97/199242497.db2.gz FHKMBBQNQYPDJX-VXGBXAGGSA-N 0 3 291.351 2.162 20 5 CEBDHN C[C@H]1CCC[C@H](CO)N1CCOc1ccccc1[N+](=O)[O-] ZINC000136163780 366500452 /nfs/dbraw/zinc/50/04/52/366500452.db2.gz IZESVCBLGWLKNQ-QWHCGFSZSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000178599596 189130213 /nfs/dbraw/zinc/13/02/13/189130213.db2.gz DOFPOERUZKYCIR-UHFFFAOYSA-N 0 3 285.369 2.069 20 5 CEBDHN CCOC[C@@H](O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712028 189139358 /nfs/dbraw/zinc/13/93/58/189139358.db2.gz CELZMXYPTIIRHR-KBPBESRZSA-N 0 3 282.340 2.033 20 5 CEBDHN CC(C)(O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000179362687 189189182 /nfs/dbraw/zinc/18/91/82/189189182.db2.gz ZZOALOKMNRFWPK-UHFFFAOYSA-N 0 3 264.325 2.330 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000179579202 189204463 /nfs/dbraw/zinc/20/44/63/189204463.db2.gz KPLCJVMIDMURIY-VHSXEESVSA-N 0 3 268.313 2.025 20 5 CEBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1cccc(F)c1 ZINC000179565368 189202541 /nfs/dbraw/zinc/20/25/41/189202541.db2.gz FZIPHMYLAMFHLU-UHFFFAOYSA-N 0 3 292.314 2.455 20 5 CEBDHN CNC(=O)CCCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182929319 189340243 /nfs/dbraw/zinc/34/02/43/189340243.db2.gz FWEYGLHWFGWBPL-GFCCVEGCSA-N 0 3 293.367 2.422 20 5 CEBDHN CS[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340204996 366802765 /nfs/dbraw/zinc/80/27/65/366802765.db2.gz RJVXRUCVYLZTKF-OLZOCXBDSA-N 0 3 281.381 2.077 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183288664 189353608 /nfs/dbraw/zinc/35/36/08/189353608.db2.gz VWTMWWJJDDOCEY-NSHDSACASA-N 0 3 280.324 2.144 20 5 CEBDHN Cc1ccc([C@@H](C)NCCN(C)C)cc1[N+](=O)[O-] ZINC000020083673 361577725 /nfs/dbraw/zinc/57/77/25/361577725.db2.gz QDYADAAIGVCOFR-LLVKDONJSA-N 0 3 251.330 2.115 20 5 CEBDHN CCN1CCN([C@@H](C)CNc2sccc2[N+](=O)[O-])CC1 ZINC000301939846 201270040 /nfs/dbraw/zinc/27/00/40/201270040.db2.gz UCNTZULKIVCWFD-NSHDSACASA-N 0 3 298.412 2.094 20 5 CEBDHN COC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000086699643 363837655 /nfs/dbraw/zinc/83/76/55/363837655.db2.gz QNMPSBNWDKAXRV-GFCCVEGCSA-N 0 3 282.340 2.364 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000090795022 364063377 /nfs/dbraw/zinc/06/33/77/364063377.db2.gz FRNOYEBXEYGSFQ-BDAKNGLRSA-N 0 3 295.368 2.199 20 5 CEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103453485 364655601 /nfs/dbraw/zinc/65/56/01/364655601.db2.gz MQMMAXBNGMUUAP-UHFFFAOYSA-N 0 3 291.351 2.009 20 5 CEBDHN CCC(CC)[C@@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000111404589 364735424 /nfs/dbraw/zinc/73/54/24/364735424.db2.gz QFVKZEVATQUMSV-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN COc1ccc(CN2CCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000159210519 366889455 /nfs/dbraw/zinc/88/94/55/366889455.db2.gz GYIDNWCYJYTERA-YPMHNXCESA-N 0 3 294.351 2.339 20 5 CEBDHN CCC[C@H](N)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000120797147 365476748 /nfs/dbraw/zinc/47/67/48/365476748.db2.gz ZJUQJEDSURWMRW-QWHCGFSZSA-N 0 3 279.340 2.290 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162034177 367131285 /nfs/dbraw/zinc/13/12/85/367131285.db2.gz LUCKLKYJGBGPGM-LLVKDONJSA-N 0 3 293.323 2.233 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000163248196 367226994 /nfs/dbraw/zinc/22/69/94/367226994.db2.gz GMRXVFCFTLXYLT-PWSUYJOCSA-N 0 3 250.298 2.109 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000163337960 367232431 /nfs/dbraw/zinc/23/24/31/367232431.db2.gz YSUDNPPSUITYJM-UHFFFAOYSA-N 0 3 294.355 2.399 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000166136719 367318262 /nfs/dbraw/zinc/31/82/62/367318262.db2.gz RYFADAIQAUEHKS-KOLCDFICSA-N 0 3 295.295 2.018 20 5 CEBDHN COCC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382290 368298025 /nfs/dbraw/zinc/29/80/25/368298025.db2.gz JIQYPQQBHXEQIU-BXUZGUMPSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343451051 216777167 /nfs/dbraw/zinc/77/71/67/216777167.db2.gz NTUONWMZYJCZRP-RISCZKNCSA-N 0 3 291.351 2.116 20 5 CEBDHN CCS[C@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000346554254 368716127 /nfs/dbraw/zinc/71/61/27/368716127.db2.gz GNQJAQYJAJCBDB-JQWIXIFHSA-N 0 3 298.412 2.482 20 5 CEBDHN CS[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000347796714 368819600 /nfs/dbraw/zinc/81/96/00/368819600.db2.gz VMCOGHPWVWUSAN-ZIAGYGMSSA-N 0 3 295.408 2.385 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC[C@@H](O)C2)c1 ZINC000188831139 369415221 /nfs/dbraw/zinc/41/52/21/369415221.db2.gz JXPJEISIJXNIRP-BXKDBHETSA-N 0 3 284.743 2.499 20 5 CEBDHN CO[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000189102612 369457837 /nfs/dbraw/zinc/45/78/37/369457837.db2.gz FCXGDUWXKBQOAJ-WDEREUQCSA-N 0 3 252.314 2.416 20 5 CEBDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330914994 203383893 /nfs/dbraw/zinc/38/38/93/203383893.db2.gz TYOFYFLDNVQKIX-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN CCCCN(C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000352376827 369698978 /nfs/dbraw/zinc/69/89/78/369698978.db2.gz APZYHASVTXTTMV-UHFFFAOYSA-N 0 3 285.369 2.118 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000353122654 370026522 /nfs/dbraw/zinc/02/65/22/370026522.db2.gz VQINDJJRVKYDFI-WPRPVWTQSA-N 0 3 266.297 2.197 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000353154845 370043558 /nfs/dbraw/zinc/04/35/58/370043558.db2.gz PAWQMGFMASURBD-HUUCEWRRSA-N 0 3 294.351 2.187 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000194631019 370059772 /nfs/dbraw/zinc/05/97/72/370059772.db2.gz MHULVIHAOFBFHT-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354004733 370174385 /nfs/dbraw/zinc/17/43/85/370174385.db2.gz ZMOFLONLYFVHJH-NSHDSACASA-N 0 3 266.345 2.159 20 5 CEBDHN CCC[C@@H](N[C@@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223958843 370274942 /nfs/dbraw/zinc/27/49/42/370274942.db2.gz AYXHLXCULMLOOG-DZGCQCFKSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000354433210 370360694 /nfs/dbraw/zinc/36/06/94/370360694.db2.gz APLUNQYFHIHEFK-BETUJISGSA-N 0 3 277.368 2.428 20 5 CEBDHN Cc1c(CN(C)CCCCCO)cccc1[N+](=O)[O-] ZINC000227118818 370361444 /nfs/dbraw/zinc/36/14/44/370361444.db2.gz HCBAUEVCDLSZPW-UHFFFAOYSA-N 0 3 266.341 2.498 20 5 CEBDHN CC(C)(C)C[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000227374294 370370037 /nfs/dbraw/zinc/37/00/37/370370037.db2.gz KFFLIDJPWOKNSI-GFCCVEGCSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@H](O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228031091 370392698 /nfs/dbraw/zinc/39/26/98/370392698.db2.gz SMDOBAWHUZSKBG-QWRGUYRKSA-N 0 3 252.314 2.406 20 5 CEBDHN CN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227887691 370387805 /nfs/dbraw/zinc/38/78/05/370387805.db2.gz SXIJLBFBLKEALE-UHFFFAOYSA-N 0 3 271.267 2.379 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000226518904 370342189 /nfs/dbraw/zinc/34/21/89/370342189.db2.gz PVGUSKGMMHSEPN-SNVBAGLBSA-N 0 3 297.742 2.072 20 5 CEBDHN CC[C@H]1CCCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000354641621 370447710 /nfs/dbraw/zinc/44/77/10/370447710.db2.gz YDWCPFFHXUHCPO-LBPRGKRZSA-N 0 3 278.356 2.088 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CCCSC2)cc1 ZINC000355539340 370593115 /nfs/dbraw/zinc/59/31/15/370593115.db2.gz ATZSUAAUNFJOGM-AWEZNQCLSA-N 0 3 296.392 2.285 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(CCO)[C@H]2CCCSC2)c1 ZINC000355512571 370582221 /nfs/dbraw/zinc/58/22/21/370582221.db2.gz KCMPNRIPPLEOKB-AWEZNQCLSA-N 0 3 296.392 2.285 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000247304295 371090353 /nfs/dbraw/zinc/09/03/53/371090353.db2.gz LNTRHPBKJVEQBH-DGCLKSJQSA-N 0 3 291.351 2.053 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247531825 371121633 /nfs/dbraw/zinc/12/16/33/371121633.db2.gz ZYDDXHMZOADURY-BXUZGUMPSA-N 0 3 291.351 2.053 20 5 CEBDHN CC[C@H](NCC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287308407 376203538 /nfs/dbraw/zinc/20/35/38/376203538.db2.gz LCYFPTOBJIIJSU-AWEZNQCLSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([C@H](C)O)C1 ZINC000248649504 371230361 /nfs/dbraw/zinc/23/03/61/371230361.db2.gz ULEHKVWWCMCZOT-AAEUAGOBSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CCCN2C)n1 ZINC000359102017 371337432 /nfs/dbraw/zinc/33/74/32/371337432.db2.gz GCGAMILQBRXAKW-NSHDSACASA-N 0 3 264.329 2.113 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NCC2=CCN(C)CC2)n1 ZINC000359105843 371339426 /nfs/dbraw/zinc/33/94/26/371339426.db2.gz WTUXXOMHGDTPNG-UHFFFAOYSA-N 0 3 276.340 2.280 20 5 CEBDHN CCc1nn(C)c(NC[C@H](CC)N2CCCC2)c1[N+](=O)[O-] ZINC000360965480 371567078 /nfs/dbraw/zinc/56/70/78/371567078.db2.gz GJUZEKIWTXMZBW-NSHDSACASA-N 0 3 295.387 2.177 20 5 CEBDHN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(C2CC2)C1 ZINC000353334223 220030786 /nfs/dbraw/zinc/03/07/86/220030786.db2.gz SXWUOAMQIULTAA-LBPRGKRZSA-N 0 3 281.381 2.325 20 5 CEBDHN C=Cn1cc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000344084574 217043182 /nfs/dbraw/zinc/04/31/82/217043182.db2.gz BFSAEZAKXHPZKW-UHFFFAOYSA-N 0 3 272.308 2.224 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000344133538 217067240 /nfs/dbraw/zinc/06/72/40/217067240.db2.gz QDFAAUVYNMPOOA-YPMHNXCESA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1c([C@@H](C)NC[C@@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908287 372282031 /nfs/dbraw/zinc/28/20/31/372282031.db2.gz HGIURCQFZPRIKJ-RISCZKNCSA-N 0 3 296.392 2.422 20 5 CEBDHN CN(C)C(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269081956 372336453 /nfs/dbraw/zinc/33/64/53/372336453.db2.gz FSNFGGXFMIUSNN-UHFFFAOYSA-N 0 3 291.351 2.038 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCCN(C)CC1 ZINC000269334135 372421895 /nfs/dbraw/zinc/42/18/95/372421895.db2.gz CYEPNGVIEQOSBS-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000353389391 220058068 /nfs/dbraw/zinc/05/80/68/220058068.db2.gz VSWSCRGHSWXHQU-NSHDSACASA-N 0 3 252.314 2.186 20 5 CEBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000270859376 372985385 /nfs/dbraw/zinc/98/53/85/372985385.db2.gz HXPWGTNZKBRJPC-BXUZGUMPSA-N 0 3 264.325 2.106 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[S@@](C)=O ZINC000344849997 217332862 /nfs/dbraw/zinc/33/28/62/217332862.db2.gz HABNPLQMQPCLJF-FNUUXAGOSA-N 0 3 296.392 2.356 20 5 CEBDHN COCCOCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344870119 217340900 /nfs/dbraw/zinc/34/09/00/217340900.db2.gz XGHIUXQSDSWKCC-RAXLEYEMSA-N 0 3 294.351 2.251 20 5 CEBDHN CC(C)N(CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000274333359 373882849 /nfs/dbraw/zinc/88/28/49/373882849.db2.gz GMVSJIRHJJAMKZ-UHFFFAOYSA-N 0 3 251.330 2.371 20 5 CEBDHN C[C@H](NCCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000274812640 374058783 /nfs/dbraw/zinc/05/87/83/374058783.db2.gz RCVIUAPMBMNUPR-JTQLQIEISA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@@H](NC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382567714 321841852 /nfs/dbraw/zinc/84/18/52/321841852.db2.gz OTLJURANKVEYHR-KGLIPLIRSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1ccc(CN2CCCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000377234809 374818878 /nfs/dbraw/zinc/81/88/78/374818878.db2.gz AWJDQEFLQLQLFG-AWEZNQCLSA-N 0 3 278.352 2.498 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H](CO)C1 ZINC000377278505 374829636 /nfs/dbraw/zinc/82/96/36/374829636.db2.gz QDSLBOPDSWZQIR-GFCCVEGCSA-N 0 3 294.351 2.198 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000385770647 375243621 /nfs/dbraw/zinc/24/36/21/375243621.db2.gz ARSGAJVTGQDIKC-OCCSQVGLSA-N 0 3 264.325 2.188 20 5 CEBDHN CC[C@@H]1[C@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000386246787 375254595 /nfs/dbraw/zinc/25/45/95/375254595.db2.gz IPZPCVZSBHGLSZ-QWHCGFSZSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)C[C@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284096146 375809321 /nfs/dbraw/zinc/80/93/21/375809321.db2.gz MQAKBLVHYLHMDN-ZYHUDNBSSA-N 0 3 281.356 2.235 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000286286604 375898839 /nfs/dbraw/zinc/89/88/39/375898839.db2.gz WFQZXEUNUVNSKE-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@H]1CCSCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286347465 375921204 /nfs/dbraw/zinc/92/12/04/375921204.db2.gz XQWMOKGMMXOVLB-FZMZJTMJSA-N 0 3 296.392 2.456 20 5 CEBDHN C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000305725977 376457465 /nfs/dbraw/zinc/45/74/65/376457465.db2.gz LLODNUHAYJNBIG-WFASDCNBSA-N 0 3 294.351 2.066 20 5 CEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)C ZINC000289952280 376574204 /nfs/dbraw/zinc/57/42/04/376574204.db2.gz XUQQIZLQGGJSMC-SNVBAGLBSA-N 0 3 294.355 2.229 20 5 CEBDHN C[C@H]1C[C@H](Nc2cc(N)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000290732621 376900800 /nfs/dbraw/zinc/90/08/00/376900800.db2.gz GCNWCOVOOMCKEE-ONGXEEELSA-N 0 3 276.340 2.214 20 5 CEBDHN COc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000330577034 377192775 /nfs/dbraw/zinc/19/27/75/377192775.db2.gz GTLZHNPTJLZGNY-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1C1(O)CC1 ZINC000563686654 377275576 /nfs/dbraw/zinc/27/55/76/377275576.db2.gz DREZQZXFMDQCLS-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN C[C@@H](N[C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873956 377461765 /nfs/dbraw/zinc/46/17/65/377461765.db2.gz MCGAOYCOIRLPFX-YPMHNXCESA-N 0 3 286.335 2.457 20 5 CEBDHN Cc1c(CN2CCC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000293341540 377526224 /nfs/dbraw/zinc/52/62/24/377526224.db2.gz YUEXTTNUPPKIJC-ZDUSSCGKSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C1CC(O)C1 ZINC000332429128 377599466 /nfs/dbraw/zinc/59/94/66/377599466.db2.gz GPZNRYVPRWMFTI-UHEGKEBESA-N 0 3 250.298 2.111 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000293674649 377691916 /nfs/dbraw/zinc/69/19/16/377691916.db2.gz JUGHBUYATVAUPR-YUTCNCBUSA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@H](NC[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000294366541 377984102 /nfs/dbraw/zinc/98/41/02/377984102.db2.gz QQBAGCNSKJZDHD-ILXRZTDVSA-N 0 3 294.351 2.175 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000443519182 378058512 /nfs/dbraw/zinc/05/85/12/378058512.db2.gz NXQKCCQVSKMWSU-NXEZZACHSA-N 0 3 284.385 2.360 20 5 CEBDHN CCN(CC)CCSc1c([N+](=O)[O-])c(C)nn1C ZINC000266108079 190231273 /nfs/dbraw/zinc/23/12/73/190231273.db2.gz JIUCRKUCTQRJAG-UHFFFAOYSA-N 0 3 272.374 2.071 20 5 CEBDHN CCOc1cccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450782690 378577316 /nfs/dbraw/zinc/57/73/16/378577316.db2.gz YLVMEFDSZRYQOU-WCQYABFASA-N 0 3 291.351 2.134 20 5 CEBDHN C[C@H](N[C@H]1CCOC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296602358 378588426 /nfs/dbraw/zinc/58/84/26/378588426.db2.gz VRTHLVWJKIQDII-ZANVPECISA-N 0 3 279.340 2.395 20 5 CEBDHN COC(=O)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000347197973 218153837 /nfs/dbraw/zinc/15/38/37/218153837.db2.gz IITNFIRUQBMYMI-SMDDNHRTSA-N 0 3 292.335 2.021 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278757374 194142230 /nfs/dbraw/zinc/14/22/30/194142230.db2.gz MKNLSPBCTPVSDF-SECBINFHSA-N 0 3 292.261 2.066 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN(C)C2)c1 ZINC000266456526 190259028 /nfs/dbraw/zinc/25/90/28/190259028.db2.gz YARXBYJILCDGDD-LBPRGKRZSA-N 0 3 293.367 2.381 20 5 CEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000520551734 379483634 /nfs/dbraw/zinc/48/36/34/379483634.db2.gz FEEAWKQKSKYLMA-BETUJISGSA-N 0 3 298.346 2.474 20 5 CEBDHN Cc1cc(N(C)[C@@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266835724 190283549 /nfs/dbraw/zinc/28/35/49/190283549.db2.gz JXQXCSMRJPTNPC-VXGBXAGGSA-N 0 3 278.356 2.217 20 5 CEBDHN COc1ccc(CNC(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000347779799 218354700 /nfs/dbraw/zinc/35/47/00/218354700.db2.gz PRFNASQMDYKOOC-UHFFFAOYSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H](NCCOC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000540481194 380253262 /nfs/dbraw/zinc/25/32/62/380253262.db2.gz WOVUVLPZFHWXDE-CHWSQXEVSA-N 0 3 294.351 2.441 20 5 CEBDHN CC[C@@H](N[C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815910 195393280 /nfs/dbraw/zinc/39/32/80/195393280.db2.gz ZIFFGOWAAOCRQM-GXTWGEPZSA-N 0 3 282.340 2.033 20 5 CEBDHN COc1ccc(CNCCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421366629 394513106 /nfs/dbraw/zinc/51/31/06/394513106.db2.gz CWEHXOJUFXSMPH-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000228849149 394476364 /nfs/dbraw/zinc/47/63/64/394476364.db2.gz ODVRIOAPUAGFEY-ZWKOPEQDSA-N 0 3 264.325 2.405 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCNCc1ccc(CO)o1 ZINC000266185928 394660750 /nfs/dbraw/zinc/66/07/50/394660750.db2.gz WXMCIPHUSUHYIC-UHFFFAOYSA-N 0 3 276.292 2.012 20 5 CEBDHN COc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000357008805 394680129 /nfs/dbraw/zinc/68/01/29/394680129.db2.gz UXNGPHLQDGGMFD-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN COc1ccc(CN2CCN(C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000357008806 394680315 /nfs/dbraw/zinc/68/03/15/394680315.db2.gz UXNGPHLQDGGMFD-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN COCC[C@@H](C)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268024654 394688969 /nfs/dbraw/zinc/68/89/69/394688969.db2.gz WUZGNDATDMMWNI-CYBMUJFWSA-N 0 3 293.367 2.142 20 5 CEBDHN CN1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000273722348 394789095 /nfs/dbraw/zinc/78/90/95/394789095.db2.gz GVQCSZAMNYXWHC-ZIAGYGMSSA-N 0 3 299.334 2.242 20 5 CEBDHN COc1cc(CN[C@H](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274606308 394799350 /nfs/dbraw/zinc/79/93/50/394799350.db2.gz MXYHDTIOLSWPFU-NXEZZACHSA-N 0 3 298.314 2.257 20 5 CEBDHN CN1C[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425286883 395056686 /nfs/dbraw/zinc/05/66/86/395056686.db2.gz RFYMOSIDHSWOJA-SMDDNHRTSA-N 0 3 261.325 2.125 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375039514 395090206 /nfs/dbraw/zinc/09/02/06/395090206.db2.gz NFWAOMAPYYWFMF-QMTHXVAHSA-N 0 3 279.315 2.264 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)[C@H]2C)n1 ZINC000343462194 395039348 /nfs/dbraw/zinc/03/93/48/395039348.db2.gz SYJLBVOLKSXKGB-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494406223 395111700 /nfs/dbraw/zinc/11/17/00/395111700.db2.gz PJMJIYGXYAKTCQ-CYBMUJFWSA-N 0 3 286.335 2.204 20 5 CEBDHN C[C@H](CC(N)=O)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433304579 395219665 /nfs/dbraw/zinc/21/96/65/395219665.db2.gz NGLMYAXQGKHCPE-NOZJJQNGSA-N 0 3 291.351 2.171 20 5 CEBDHN CC[C@@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000294016198 395263246 /nfs/dbraw/zinc/26/32/46/395263246.db2.gz YQFSYUBAQVERBQ-LBPRGKRZSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1c(CN[C@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946518 395266471 /nfs/dbraw/zinc/26/64/71/395266471.db2.gz JETRNVAUQIRKMW-JOYOIKCWSA-N 0 3 250.298 2.170 20 5 CEBDHN COCCCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000419391801 395270079 /nfs/dbraw/zinc/27/00/79/395270079.db2.gz RNOHSEOWGINYJE-UHFFFAOYSA-N 0 3 282.340 2.462 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCNC[C@](C)(F)C1 ZINC000420336877 395334346 /nfs/dbraw/zinc/33/43/46/395334346.db2.gz QIKBPVVWHMKLAE-RISCZKNCSA-N 0 3 281.331 2.289 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[C@H]1O ZINC000567890655 395539530 /nfs/dbraw/zinc/53/95/30/395539530.db2.gz QGNBQJNRVPSZCF-ZWKOPEQDSA-N 0 3 250.298 2.077 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C)CC[C@@H]2C)c1 ZINC000447046835 395504380 /nfs/dbraw/zinc/50/43/80/395504380.db2.gz IUWPWOBNUPRJSA-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN CC(C)NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000575331600 395659607 /nfs/dbraw/zinc/65/96/07/395659607.db2.gz BMBOAWRDBQGCMR-UHFFFAOYSA-N 0 3 291.351 2.084 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1OCCN1CCCCC1 ZINC000195196716 153283714 /nfs/dbraw/zinc/28/37/14/153283714.db2.gz VDGRRCKEPRCFMX-UHFFFAOYSA-N 0 3 280.324 2.468 20 5 CEBDHN CC[C@H](NC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000224468863 153319357 /nfs/dbraw/zinc/31/93/57/153319357.db2.gz ATYJMTWGPCOYNE-QWRGUYRKSA-N 0 3 274.267 2.262 20 5 CEBDHN CC(C)(C)C[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227373557 153340781 /nfs/dbraw/zinc/34/07/81/153340781.db2.gz AAGHCJMADUURGA-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@@H](O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000228105432 153358072 /nfs/dbraw/zinc/35/80/72/153358072.db2.gz XXNLGYGBWJJMKD-RKDXNWHRSA-N 0 3 272.732 2.497 20 5 CEBDHN COc1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315897 153388164 /nfs/dbraw/zinc/38/81/64/153388164.db2.gz GYPPYWURVIBLIC-WFASDCNBSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316612 153389490 /nfs/dbraw/zinc/38/94/90/153389490.db2.gz BTDIJVXDQGROHS-UONOGXRCSA-N 0 3 262.309 2.252 20 5 CEBDHN CO[C@@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662438 155101133 /nfs/dbraw/zinc/10/11/33/155101133.db2.gz GSAHZJQWWVCYDU-CSPWOOARSA-N 0 3 292.335 2.003 20 5 CEBDHN N=C(NO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000368477764 156350869 /nfs/dbraw/zinc/35/08/69/156350869.db2.gz LRBSXKPIJICVKO-LBPRGKRZSA-N 0 3 296.302 2.044 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000174811979 165119512 /nfs/dbraw/zinc/11/95/12/165119512.db2.gz HBCWDINMAVUFKD-OCCSQVGLSA-N 0 3 278.356 2.446 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCNC[C@@H]1C(F)F ZINC000563135549 298741084 /nfs/dbraw/zinc/74/10/84/298741084.db2.gz MNWIAYYIXFOHHC-HSBHDXMMSA-N 0 3 297.305 2.147 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCCOC[C@H]1CCCO1 ZINC000020146883 171033239 /nfs/dbraw/zinc/03/32/39/171033239.db2.gz IOOZJFGFZYYMJG-CQSZACIVSA-N 0 3 294.351 2.270 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCOC[C@@H]2CCCO2)cc1 ZINC000020146880 171033251 /nfs/dbraw/zinc/03/32/51/171033251.db2.gz LZEYCYPHRJCYPP-HNNXBMFYSA-N 0 3 294.351 2.270 20 5 CEBDHN CCC[C@@H](N[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602244 172290984 /nfs/dbraw/zinc/29/09/84/172290984.db2.gz KPGHISIHKSJWQS-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H]1COCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000285471924 196294911 /nfs/dbraw/zinc/29/49/11/196294911.db2.gz KOGNKYSBLSVCIA-KOLCDFICSA-N 0 3 270.354 2.419 20 5 CEBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000038088007 174100567 /nfs/dbraw/zinc/10/05/67/174100567.db2.gz VHHGNAARLDMTHE-VIFPVBQESA-N 0 3 271.748 2.288 20 5 CEBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000044538038 175200106 /nfs/dbraw/zinc/20/01/06/175200106.db2.gz QAEHGWZANGEVII-SNVBAGLBSA-N 0 3 294.311 2.257 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000566858595 299027523 /nfs/dbraw/zinc/02/75/23/299027523.db2.gz RUEHKVRERNTZKD-SMDDNHRTSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccc(F)cc1 ZINC000356097326 228119392 /nfs/dbraw/zinc/11/93/92/228119392.db2.gz UKXSUALMPRJYHO-UHFFFAOYSA-N 0 3 292.314 2.371 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000525748671 262095531 /nfs/dbraw/zinc/09/55/31/262095531.db2.gz WBOISEJBGPLKJS-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000425977199 264248935 /nfs/dbraw/zinc/24/89/35/264248935.db2.gz JSYUFSLAXRQHFF-AAEUAGOBSA-N 0 3 264.325 2.106 20 5 CEBDHN CNC(=O)[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000420967753 270580000 /nfs/dbraw/zinc/58/00/00/270580000.db2.gz AJLRILOBLUHJKC-RYUDHWBXSA-N 0 3 291.351 2.032 20 5 CEBDHN CC[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592944 273719435 /nfs/dbraw/zinc/71/94/35/273719435.db2.gz QYNBFJOOHUEPDE-FZMZJTMJSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](N2CCCCC2)C1 ZINC000264466177 274724315 /nfs/dbraw/zinc/72/43/15/274724315.db2.gz LUQWYOUPLHNGPI-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226791887 277081556 /nfs/dbraw/zinc/08/15/56/277081556.db2.gz XXYGZUUFAQWAEW-VIFPVBQESA-N 0 3 297.742 2.072 20 5 CEBDHN C[C@@H]1CC[C@H](NCc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000331101067 278611229 /nfs/dbraw/zinc/61/12/29/278611229.db2.gz DDEKEQPQZKGUMG-MXWKQRLJSA-N 0 3 266.345 2.243 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000268823875 281012965 /nfs/dbraw/zinc/01/29/65/281012965.db2.gz QELAQGCGGZPJSW-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](N3CCCC3)C[C@H]2C)n1 ZINC000286243199 281014287 /nfs/dbraw/zinc/01/42/87/281014287.db2.gz FMMVXOVDPQZMLF-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H](N3CCCC3)C[C@H]2C)n1 ZINC000286243195 281014790 /nfs/dbraw/zinc/01/47/90/281014790.db2.gz FMMVXOVDPQZMLF-CHWSQXEVSA-N 0 3 290.367 2.361 20 5 CEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282635 289044287 /nfs/dbraw/zinc/04/42/87/289044287.db2.gz FCLWGERFRGXYSS-VXGBXAGGSA-N 0 3 276.340 2.053 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CCSC1 ZINC000158211313 289229779 /nfs/dbraw/zinc/22/97/79/289229779.db2.gz MGKKZQXNZGJWKY-FZMZJTMJSA-N 0 3 296.392 2.422 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CCSC1 ZINC000158211016 289229817 /nfs/dbraw/zinc/22/98/17/289229817.db2.gz MGKKZQXNZGJWKY-SMDDNHRTSA-N 0 3 296.392 2.422 20 5 CEBDHN CON1CCC(N(C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000459588725 290188043 /nfs/dbraw/zinc/18/80/43/290188043.db2.gz PJFKVBDQHPUDSD-UHFFFAOYSA-N 0 3 293.367 2.361 20 5 CEBDHN COCCOCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532467828 298145117 /nfs/dbraw/zinc/14/51/17/298145117.db2.gz KGLLVRRXCUSDCH-GFCCVEGCSA-N 0 3 282.340 2.217 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N(C)C ZINC000540166791 298263407 /nfs/dbraw/zinc/26/34/07/298263407.db2.gz DUOSKEUBUCUWEQ-NSHDSACASA-N 0 3 279.340 2.032 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCC1(O)CCC1 ZINC000565606841 313829638 /nfs/dbraw/zinc/82/96/38/313829638.db2.gz DTDQTIFGIMRFGN-ZDUSSCGKSA-N 0 3 276.336 2.477 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](O)CC23CCC3)cc1 ZINC000576574802 314288737 /nfs/dbraw/zinc/28/87/37/314288737.db2.gz NBQZBYROEGEVIS-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)C1CCC1 ZINC000576886377 314320373 /nfs/dbraw/zinc/32/03/73/314320373.db2.gz KIUCKSMYSYETIQ-HIFRSBDPSA-N 0 3 276.336 2.333 20 5 CEBDHN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](C)O ZINC000577389105 314371849 /nfs/dbraw/zinc/37/18/49/314371849.db2.gz VUNMTCRLGOIBND-ICCXJUOJSA-N 0 3 264.325 2.331 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN(C)C ZINC000558256375 327083216 /nfs/dbraw/zinc/08/32/16/327083216.db2.gz IDRWUMWOTSXFFB-NSHDSACASA-N 0 3 251.330 2.115 20 5 CEBDHN CC[C@H](C)[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183051703 521819500 /nfs/dbraw/zinc/81/95/00/521819500.db2.gz XZRDDKDRWVWSOP-VHSXEESVSA-N 0 3 279.340 2.218 20 5 CEBDHN CC(C)COC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151453804 519758713 /nfs/dbraw/zinc/75/87/13/519758713.db2.gz JFNNJBZMIKEGOW-SWLSCSKDSA-N 0 3 296.367 2.279 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN(C)C1 ZINC000052812790 525577078 /nfs/dbraw/zinc/57/70/78/525577078.db2.gz JXZQHWGYHXHNRC-NSHDSACASA-N 0 3 264.329 2.052 20 5 CEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000733166503 574647071 /nfs/dbraw/zinc/64/70/71/574647071.db2.gz QXBBWZSIDYBHBF-CYBMUJFWSA-N 0 3 297.330 2.050 20 5 CEBDHN C[C@@H]1CCCN1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742424729 575021243 /nfs/dbraw/zinc/02/12/43/575021243.db2.gz CKVRGQNROYQDRC-LLVKDONJSA-N 0 3 289.339 2.139 20 5 CEBDHN C[C@H]1CCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000743813307 575109847 /nfs/dbraw/zinc/10/98/47/575109847.db2.gz NJXNLKPPIFBJFK-NSHDSACASA-N 0 3 292.339 2.201 20 5 CEBDHN CC(C)=C[C@@H]1[C@H](C(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813103097 623019071 /nfs/dbraw/zinc/01/90/71/623019071.db2.gz NOGQAMIDZFIFBV-HBNTYKKESA-N 0 3 255.314 2.433 20 5 CEBDHN CC(C)(C)N1CC[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000845728940 623283390 /nfs/dbraw/zinc/28/33/90/623283390.db2.gz LFCOWBFKEZBZDH-NSHDSACASA-N 0 3 286.372 2.238 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1OC ZINC000050373616 623401421 /nfs/dbraw/zinc/40/14/21/623401421.db2.gz UQOZTHIXOFJGKO-OCCSQVGLSA-N 0 3 280.324 2.261 20 5 CEBDHN CC(COC(=O)CCCC(=O)c1ccccc1)[N+](=O)[O-] ZINC000893048212 627968863 /nfs/dbraw/zinc/96/88/63/627968863.db2.gz SGWYMQJFQQAURS-LLVKDONJSA-N 0 3 279.292 2.248 20 5 CEBDHN C[C@@H]([NH2+]C[C@@H]1CCCCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000902481759 634699336 /nfs/dbraw/zinc/69/93/36/634699336.db2.gz GQESKRQSRDNFKG-NEPJUHHUSA-N 0 3 293.367 2.483 20 5 CEBDHN Cc1cc(N2CC[C@@H]3CN(C)C[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000893940340 629055829 /nfs/dbraw/zinc/05/58/29/629055829.db2.gz MWNJFIXSTWEBOB-YGRLFVJLSA-N 0 3 279.315 2.183 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C(C)(C)C ZINC000894475319 629483561 /nfs/dbraw/zinc/48/35/61/629483561.db2.gz CAPADUQTWWOMJS-JTQLQIEISA-N 0 3 294.355 2.283 20 5 CEBDHN C[C@H]1[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928457055 629722135 /nfs/dbraw/zinc/72/21/35/629722135.db2.gz OUIDKAUUKQPXBN-KWQFWETISA-N 0 3 297.742 2.071 20 5 CEBDHN CN1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C(C)(C)C ZINC000895102080 629899857 /nfs/dbraw/zinc/89/98/57/629899857.db2.gz TUJXBUCJFMYDOY-LBPRGKRZSA-N 0 3 278.356 2.156 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)c1C ZINC000895521357 630227600 /nfs/dbraw/zinc/22/76/00/630227600.db2.gz ILEMQDOKRDUHRL-UHFFFAOYSA-N 0 3 291.351 2.036 20 5 CEBDHN CC[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000799200591 630997639 /nfs/dbraw/zinc/99/76/39/630997639.db2.gz LTRVFOLVUMAMFU-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@@H](O)C1CC1 ZINC000898195856 632110480 /nfs/dbraw/zinc/11/04/80/632110480.db2.gz ZOHXCRQFWKHYCV-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN CCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000989833124 632248199 /nfs/dbraw/zinc/24/81/99/632248199.db2.gz SFMJANDOXMUASH-UHFFFAOYSA-N 0 3 297.380 2.147 20 5 CEBDHN Cc1c([C@@H](C)NCCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000927084001 632450612 /nfs/dbraw/zinc/45/06/12/632450612.db2.gz JTSNQKFVAJBMJF-OLZOCXBDSA-N 0 3 294.351 2.359 20 5 CEBDHN CSc1ccc(O[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102895 632621443 /nfs/dbraw/zinc/62/14/43/632621443.db2.gz LBOYWAHJYMTISD-UWVGGRQHSA-N 0 3 299.348 2.384 20 5 CEBDHN COc1ccccc1/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813102538 632621574 /nfs/dbraw/zinc/62/15/74/632621574.db2.gz RLMNBNAGYKVISS-UQSGXBNBSA-N 0 3 279.292 2.307 20 5 CEBDHN Cc1[nH]c2ccccc2c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103474 632621738 /nfs/dbraw/zinc/62/17/38/632621738.db2.gz BPFLYNRDVUISAU-VIFPVBQESA-N 0 3 276.292 2.227 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1Cl ZINC000813104156 632622724 /nfs/dbraw/zinc/62/27/24/632622724.db2.gz XELWGTIUGKXOJI-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)CCCOc1ccc(F)cc1)[N+](=O)[O-] ZINC000813104959 632623024 /nfs/dbraw/zinc/62/30/24/632623024.db2.gz HYBDJLFNZPHJDG-JTQLQIEISA-N 0 3 285.271 2.193 20 5 CEBDHN CC(COC(=O)c1cccc([C@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813104092 632623036 /nfs/dbraw/zinc/62/30/36/632623036.db2.gz JVADDGOKYUDPTH-GWCFXTLKSA-N 0 3 279.292 2.013 20 5 CEBDHN CC[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105456 632623311 /nfs/dbraw/zinc/62/33/11/632623311.db2.gz ZNLNATVVZJVPHG-YPMHNXCESA-N 0 3 265.309 2.464 20 5 CEBDHN COc1cccc2cc(C(=O)OCC(C)[N+](=O)[O-])oc21 ZINC000813106200 632623754 /nfs/dbraw/zinc/62/37/54/632623754.db2.gz AKKJSPZFQFGFIC-MRVPVSSYSA-N 0 3 279.248 2.263 20 5 CEBDHN CCOc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813108168 632625626 /nfs/dbraw/zinc/62/56/26/632625626.db2.gz BNGNSQROARIJGH-SNVBAGLBSA-N 0 3 267.281 2.216 20 5 CEBDHN CC(COC(=O)Cc1csc(-c2ccoc2)n1)[N+](=O)[O-] ZINC000813108838 632625856 /nfs/dbraw/zinc/62/58/56/632625856.db2.gz BCYDZAVEGQFANT-QMMMGPOBSA-N 0 3 296.304 2.154 20 5 CEBDHN CC1=NN(c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)CC1 ZINC000813108588 632626010 /nfs/dbraw/zinc/62/60/10/632626010.db2.gz HWXJQGVQIUVTLI-NSHDSACASA-N 0 3 291.307 2.095 20 5 CEBDHN Cc1cc(C)cc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813109940 632626193 /nfs/dbraw/zinc/62/61/93/632626193.db2.gz XQPOHOUIVWPALW-LBPRGKRZSA-N 0 3 265.309 2.444 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)[N+](=O)[O-] ZINC000813109911 632626356 /nfs/dbraw/zinc/62/63/56/632626356.db2.gz XLCJMYZUOUKFEB-QNSHHTMESA-N 0 3 285.246 2.277 20 5 CEBDHN COCC1(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815607829 633037643 /nfs/dbraw/zinc/03/76/43/633037643.db2.gz JPGNISOUHPKNSE-SECBINFHSA-N 0 3 265.313 2.007 20 5 CEBDHN O=[N+]([O-])CCNC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000899870702 633064263 /nfs/dbraw/zinc/06/42/63/633064263.db2.gz NYYRAFSKIGDYQA-AWEZNQCLSA-N 0 3 297.786 2.343 20 5 CEBDHN CC(COC(=O)c1cnc2c(F)ccc(F)c2c1)[N+](=O)[O-] ZINC000816091056 633115567 /nfs/dbraw/zinc/11/55/67/633115567.db2.gz JDRHKMQZEKFWLD-ZETCQYMHSA-N 0 3 296.229 2.335 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCCC(F)(F)F)c1 ZINC000819123706 634074293 /nfs/dbraw/zinc/07/42/93/634074293.db2.gz ACALFLUUQUEKFD-JTQLQIEISA-N 0 3 278.230 2.170 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@@H](O)C1CC1 ZINC000903411735 635105176 /nfs/dbraw/zinc/10/51/76/635105176.db2.gz QTWSRDIFBAJPDW-IINYFYTJSA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccccc2Cl)CCOCC1 ZINC000905095668 635830143 /nfs/dbraw/zinc/83/01/43/635830143.db2.gz JOWPFZDJKPASJC-UHFFFAOYSA-N 0 3 298.770 2.255 20 5 CEBDHN CC[C@@H](CNCC[N+](=O)[O-])Oc1ccccc1C ZINC000905154403 635831609 /nfs/dbraw/zinc/83/16/09/635831609.db2.gz KPOKPCXRCVLBTA-LBPRGKRZSA-N 0 3 252.314 2.019 20 5 CEBDHN CCCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC)c1 ZINC000835453853 638262245 /nfs/dbraw/zinc/26/22/45/638262245.db2.gz HJWOVWBPUQRYPG-JTQLQIEISA-N 0 3 297.307 2.306 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000845728939 641059801 /nfs/dbraw/zinc/05/98/01/641059801.db2.gz LFCOWBFKEZBZDH-LLVKDONJSA-N 0 3 286.372 2.238 20 5 CEBDHN Cc1cccc([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776100 645901585 /nfs/dbraw/zinc/90/15/85/645901585.db2.gz BHIUJGHDYQSKAA-WCFLWFBJSA-N 0 3 263.293 2.307 20 5 CEBDHN Cc1ccc(CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000860777593 645902929 /nfs/dbraw/zinc/90/29/29/645902929.db2.gz QWACNQCCBQIRRP-NEPJUHHUSA-N 0 3 281.308 2.109 20 5 CEBDHN COC(=O)C1=CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000862464598 646468569 /nfs/dbraw/zinc/46/85/69/646468569.db2.gz CMKBMYKDWLSATA-CYBMUJFWSA-N 0 3 290.319 2.255 20 5 CEBDHN Cc1ncccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863578521 646761405 /nfs/dbraw/zinc/76/14/05/646761405.db2.gz MHZSMSOQNZXEGR-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000776580326 647073877 /nfs/dbraw/zinc/07/38/77/647073877.db2.gz UMKVVHZSUGRJLJ-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN CC(COC(=O)[C@@H]1Cc2ccc(Cl)cc21)[N+](=O)[O-] ZINC000870378416 648790796 /nfs/dbraw/zinc/79/07/96/648790796.db2.gz WPAVJCHNPOZYPA-RDDDGLTNSA-N 0 3 269.684 2.188 20 5 CEBDHN CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871150929 649012634 /nfs/dbraw/zinc/01/26/34/649012634.db2.gz VPARIGHFDGWJJY-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN C[C@H](NCCCn1cncn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057335 649257533 /nfs/dbraw/zinc/25/75/33/649257533.db2.gz XTUPSLGIVBSMGT-JTQLQIEISA-N 0 3 293.302 2.066 20 5 CEBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781765 649488868 /nfs/dbraw/zinc/48/88/68/649488868.db2.gz YLPALYGCRVVTNM-RYUDHWBXSA-N 0 3 279.315 2.407 20 5 CEBDHN CC(COC(=O)c1noc2c1CC(C)(C)CC2)[N+](=O)[O-] ZINC000873533300 649695826 /nfs/dbraw/zinc/69/58/26/649695826.db2.gz WHJXMCAKSGPRIH-QMMMGPOBSA-N 0 3 282.296 2.012 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000878951424 651216955 /nfs/dbraw/zinc/21/69/55/651216955.db2.gz JHIYOQKUPDYCNF-WCQYABFASA-N 0 3 264.325 2.248 20 5 CEBDHN CO[C@@H]1CC[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322455 651285379 /nfs/dbraw/zinc/28/53/79/651285379.db2.gz TYUAWSOFUUYDRA-NILFDRSVSA-N 0 3 294.351 2.128 20 5 CEBDHN CC[S@](=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130918694 652355243 /nfs/dbraw/zinc/35/52/43/652355243.db2.gz KNEQCELWNOAAOB-XTZNXHDOSA-N 0 3 270.354 2.014 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC2(O)CCC2)c1 ZINC000134515561 652849112 /nfs/dbraw/zinc/84/91/12/652849112.db2.gz KPONEUIBWFBDDN-UHFFFAOYSA-N 0 3 270.716 2.253 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1NCC1(F)CCOCC1)CNC2 ZINC001168126737 806245439 /nfs/dbraw/zinc/24/54/39/806245439.db2.gz WCMOSTCUGFNZQH-UHFFFAOYSA-N 0 3 295.314 2.129 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1NC[C@H]1C[C@H](F)C1)CNC2 ZINC001168238345 806429862 /nfs/dbraw/zinc/42/98/62/806429862.db2.gz XGVJOAOVFNECGR-JLIMDTESSA-N 0 3 265.288 2.358 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000724877846 803330121 /nfs/dbraw/zinc/33/01/21/803330121.db2.gz AVGPOQZEOQZCMF-ZLKJLUDKSA-N 0 3 280.324 2.049 20 5 CEBDHN CC[C@H]1COC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000699477220 807724786 /nfs/dbraw/zinc/72/47/86/807724786.db2.gz DZWRPXWWYNWAFT-JQWIXIFHSA-N 0 3 250.298 2.109 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@H](O)C(F)F ZINC000716730922 815144503 /nfs/dbraw/zinc/14/45/03/815144503.db2.gz NMPFTXTUMIWRIE-JTQLQIEISA-N 0 3 294.685 2.354 20 5 CEBDHN C[C@@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168995615 811325327 /nfs/dbraw/zinc/32/53/27/811325327.db2.gz SGBORONWFCUZCJ-UTLUCORTSA-N 0 3 255.343 2.239 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC3(C2)CC(F)(F)C3)C1 ZINC001169005970 811330524 /nfs/dbraw/zinc/33/05/24/811330524.db2.gz DQWGWRGSKNNZEK-UWVGGRQHSA-N 0 3 260.284 2.163 20 5 CEBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169009732 811334502 /nfs/dbraw/zinc/33/45/02/811334502.db2.gz XSCWZMXBSNXZOY-TVQRCGJNSA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cc(F)cnc2Cl)C1 ZINC001168988562 811337814 /nfs/dbraw/zinc/33/78/14/811337814.db2.gz SLLNGCIOPHNWIO-GZMMTYOYSA-N 0 3 287.722 2.409 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3occc3C2)C1 ZINC001169039956 811347685 /nfs/dbraw/zinc/34/76/85/811347685.db2.gz WHICRCIKVSXCRL-PWSUYJOCSA-N 0 3 250.298 2.083 20 5 CEBDHN CCCCN(CC(=O)OCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049039 811357613 /nfs/dbraw/zinc/35/76/13/811357613.db2.gz VUJJLNHPHSSDEF-QWHCGFSZSA-N 0 3 286.372 2.097 20 5 CEBDHN C[C@H](N)c1ccn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)n1 ZINC001169230002 811442351 /nfs/dbraw/zinc/44/23/51/811442351.db2.gz NMWVGCZANYUGGX-VIFPVBQESA-N 0 3 287.323 2.074 20 5 CEBDHN Cc1cnc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173217116 815623868 /nfs/dbraw/zinc/62/38/68/815623868.db2.gz PGCCAXXMIVJVOB-NSHDSACASA-N 0 3 286.335 2.414 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1nccn1C ZINC001173217314 815624979 /nfs/dbraw/zinc/62/49/79/815624979.db2.gz STIVJNVUNVYJBF-NSHDSACASA-N 0 3 274.324 2.049 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2c1CCNC2 ZINC001173222033 815626592 /nfs/dbraw/zinc/62/65/92/815626592.db2.gz OPLACNWKAWBUBN-LLVKDONJSA-N 0 3 286.335 2.241 20 5 CEBDHN CN1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000033394666 361777470 /nfs/dbraw/zinc/77/74/70/361777470.db2.gz YYTUBUJHTGVGJR-DAXSKMNVSA-N 0 3 275.352 2.246 20 5 CEBDHN CCCC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037619306 361912964 /nfs/dbraw/zinc/91/29/64/361912964.db2.gz YVHMQCSEVSDYFN-NSHDSACASA-N 0 3 265.313 2.359 20 5 CEBDHN CCCC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037619307 361913033 /nfs/dbraw/zinc/91/30/33/361913033.db2.gz YVHMQCSEVSDYFN-LLVKDONJSA-N 0 3 265.313 2.359 20 5 CEBDHN Cc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000037782519 361937711 /nfs/dbraw/zinc/93/77/11/361937711.db2.gz AKVPUEDDFGXHIV-LBPRGKRZSA-N 0 3 291.351 2.004 20 5 CEBDHN COc1cc(CNC2CC(C)(F)C2)c([N+](=O)[O-])cc1O ZINC000449371303 282203809 /nfs/dbraw/zinc/20/38/09/282203809.db2.gz STWGQDWPRHAMOC-UHFFFAOYSA-N 0 3 284.287 2.289 20 5 CEBDHN CC1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000054779528 343594167 /nfs/dbraw/zinc/59/41/67/343594167.db2.gz CPOBCFMKNDNRIQ-UHFFFAOYSA-N 0 3 291.351 2.057 20 5 CEBDHN CCc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414333951 529755659 /nfs/dbraw/zinc/75/56/59/529755659.db2.gz UEUWRLVXHAGWDV-UHFFFAOYSA-N 0 3 286.335 2.280 20 5 CEBDHN C[C@H]1CSC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000336724205 365786385 /nfs/dbraw/zinc/78/63/85/365786385.db2.gz BECMFPOTUFETRT-IONNQARKSA-N 0 3 258.368 2.497 20 5 CEBDHN O=[N+]([O-])c1ccc2nc(N3C[C@H]4CCC[C@@H](C3)N4)ccc2c1 ZINC000068087650 343754532 /nfs/dbraw/zinc/75/45/32/343754532.db2.gz CPSBRHYSIKSARS-BETUJISGSA-N 0 3 298.346 2.474 20 5 CEBDHN CCO[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404586 343889984 /nfs/dbraw/zinc/88/99/84/343889984.db2.gz JTCZAUHRZCNHGB-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCCN(C2CCCC2)CC1 ZINC000077994880 343939009 /nfs/dbraw/zinc/93/90/09/343939009.db2.gz IHYBMMRICFGBIU-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN COCC[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000088494243 344109910 /nfs/dbraw/zinc/10/99/10/344109910.db2.gz LTUYVKDJKOVBIU-NSHDSACASA-N 0 3 252.314 2.452 20 5 CEBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000091475991 344164282 /nfs/dbraw/zinc/16/42/82/344164282.db2.gz MXPSNYAMPJVGDI-UHFFFAOYSA-N 0 3 275.312 2.097 20 5 CEBDHN CC(C)CC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442509 347034288 /nfs/dbraw/zinc/03/42/88/347034288.db2.gz BZRFJQLFABZTIQ-ZDUSSCGKSA-N 0 3 293.367 2.317 20 5 CEBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000226734058 344550869 /nfs/dbraw/zinc/55/08/69/344550869.db2.gz AOROVKBPSZADIT-ZWKOPEQDSA-N 0 3 264.325 2.405 20 5 CEBDHN CN(C)C(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506926 347061187 /nfs/dbraw/zinc/06/11/87/347061187.db2.gz YNTCADCSOFBJOR-UHFFFAOYSA-N 0 3 292.339 2.166 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1C[C@@H](O)C1 ZINC000449752406 282354514 /nfs/dbraw/zinc/35/45/14/282354514.db2.gz MWHAZHKHZQNIGQ-NXQOJNSDSA-N 0 3 262.309 2.111 20 5 CEBDHN CC[C@@H](NCC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000404222905 344878533 /nfs/dbraw/zinc/87/85/33/344878533.db2.gz ZPVDROPUZDUVBQ-HUUCEWRRSA-N 0 3 294.351 2.177 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000589197013 345070665 /nfs/dbraw/zinc/07/06/65/345070665.db2.gz SZVIROAWSXYJIN-DRDHIDPGSA-N 0 3 276.336 2.311 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](O)C23CCCC3)c1 ZINC000590122723 345115210 /nfs/dbraw/zinc/11/52/10/345115210.db2.gz FFEFHLBKJKLKGZ-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN CC(=O)c1cc(N2CC[C@@H](CN(C)C)C2)ccc1[N+](=O)[O-] ZINC000590140622 345117063 /nfs/dbraw/zinc/11/70/63/345117063.db2.gz OAPMBUXBRGZXHH-LBPRGKRZSA-N 0 3 291.351 2.185 20 5 CEBDHN CN1CC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000590720110 345167861 /nfs/dbraw/zinc/16/78/61/345167861.db2.gz NZEMQJIOQKNIRJ-DOMZBBRYSA-N 0 3 298.346 2.283 20 5 CEBDHN Cc1sc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000057710698 362593459 /nfs/dbraw/zinc/59/34/59/362593459.db2.gz QPYOSHZOZBXCED-MRVPVSSYSA-N 0 3 297.380 2.177 20 5 CEBDHN Cc1c([C@@H](C)NCC[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725267 345528011 /nfs/dbraw/zinc/52/80/11/345528011.db2.gz WXRSHENIRGHLQH-DOMZBBRYSA-N 0 3 294.351 2.095 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCc1cnccn1 ZINC000594503127 345639646 /nfs/dbraw/zinc/63/96/46/345639646.db2.gz TVYSPUMTZMQORI-CQSZACIVSA-N 0 3 284.319 2.204 20 5 CEBDHN COC[C@H](CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000595295813 345756654 /nfs/dbraw/zinc/75/66/54/345756654.db2.gz SPGLQLANQVAOER-HNNXBMFYSA-N 0 3 296.367 2.467 20 5 CEBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594961567 345718000 /nfs/dbraw/zinc/71/80/00/345718000.db2.gz AGBOFBOQAMFWQJ-SIFORAMQSA-N 0 3 296.392 2.374 20 5 CEBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964641 345718584 /nfs/dbraw/zinc/71/85/84/345718584.db2.gz LLKHEDIIGTUDEK-HKMRUAMVSA-N 0 3 296.392 2.374 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C(C)(C)O ZINC000595024189 345729361 /nfs/dbraw/zinc/72/93/61/345729361.db2.gz YIFALTTYNCWNPE-VHSXEESVSA-N 0 3 282.340 2.413 20 5 CEBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](C)O ZINC000595041487 345733748 /nfs/dbraw/zinc/73/37/48/345733748.db2.gz MCWVZNRJPYGCAL-NRUUGDAUSA-N 0 3 282.340 2.413 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)C1CCC1 ZINC000595615922 345828100 /nfs/dbraw/zinc/82/81/00/345828100.db2.gz JYPAYYNXBIAWFZ-LBPRGKRZSA-N 0 3 284.743 2.499 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000595835786 345892529 /nfs/dbraw/zinc/89/25/29/345892529.db2.gz VLEUBNRAFGUJMN-YPMHNXCESA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595748862 345865536 /nfs/dbraw/zinc/86/55/36/345865536.db2.gz ITEUSKMFHSYEKY-YABSGUDNSA-N 0 3 264.325 2.044 20 5 CEBDHN Cc1c(CN2C[C@H](C)[C@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875175 345903861 /nfs/dbraw/zinc/90/38/61/345903861.db2.gz PYVDYYQHMFDQOK-NHYWBVRUSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000596073573 345933507 /nfs/dbraw/zinc/93/35/07/345933507.db2.gz JICKHIOUPCZFQA-QWRGUYRKSA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000596073573 345933508 /nfs/dbraw/zinc/93/35/08/345933508.db2.gz JICKHIOUPCZFQA-QWRGUYRKSA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086219 345936631 /nfs/dbraw/zinc/93/66/31/345936631.db2.gz WIBJGHRNRCUACC-QWRGUYRKSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086219 345936632 /nfs/dbraw/zinc/93/66/32/345936632.db2.gz WIBJGHRNRCUACC-QWRGUYRKSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000596194749 345966421 /nfs/dbraw/zinc/96/64/21/345966421.db2.gz PUNALCNKGXJICZ-LLVKDONJSA-N 0 3 294.355 2.372 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000310758125 201878143 /nfs/dbraw/zinc/87/81/43/201878143.db2.gz JXGQENOVVGHQIT-NSHDSACASA-N 0 3 252.314 2.188 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000597206441 346148241 /nfs/dbraw/zinc/14/82/41/346148241.db2.gz ROVGWAVEVCJLPK-JYAVWHMHSA-N 0 3 278.352 2.352 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(COC2)C1 ZINC000597229572 346155401 /nfs/dbraw/zinc/15/54/01/346155401.db2.gz MKSOYTZVKYFBEY-HYXAFXHYSA-N 0 3 274.320 2.330 20 5 CEBDHN CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCN(CC)C1 ZINC000598043864 346274885 /nfs/dbraw/zinc/27/48/85/346274885.db2.gz WTNHKVWIZNGWSV-LLVKDONJSA-N 0 3 297.380 2.213 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000598342057 346332200 /nfs/dbraw/zinc/33/22/00/346332200.db2.gz CRFDXJOYYOHNAC-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H](C)N1 ZINC000598535302 346371898 /nfs/dbraw/zinc/37/18/98/346371898.db2.gz AMWBSGDZRCQBSG-CMPLNLGQSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)N1 ZINC000599110067 346461139 /nfs/dbraw/zinc/46/11/39/346461139.db2.gz FBZJBLRLZNYTDH-PHIMTYICSA-N 0 3 286.335 2.330 20 5 CEBDHN Cc1ccc(CNCC[C@@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129344658 365849563 /nfs/dbraw/zinc/84/95/63/365849563.db2.gz ODAUPDBISQNRGI-NSPYISDASA-N 0 3 284.381 2.150 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCOC2)c(F)c1 ZINC000336809497 365846467 /nfs/dbraw/zinc/84/64/67/365846467.db2.gz FQMLSDQPPKJFHL-JTQLQIEISA-N 0 3 268.288 2.250 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000063582831 362771130 /nfs/dbraw/zinc/77/11/30/362771130.db2.gz JQLIPIDVYYBMIQ-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CC(C)[C@@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602776993 347194479 /nfs/dbraw/zinc/19/44/79/347194479.db2.gz BNAYESAGCJYWMD-LBPRGKRZSA-N 0 3 266.345 2.339 20 5 CEBDHN CCC1(NCc2cn(C)nc2[N+](=O)[O-])CCCC1 ZINC000602835875 347218514 /nfs/dbraw/zinc/21/85/14/347218514.db2.gz KGKGSCBZUVZGRS-UHFFFAOYSA-N 0 3 252.318 2.141 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC2(CC2)CC1 ZINC000602917567 347246044 /nfs/dbraw/zinc/24/60/44/347246044.db2.gz NLUSWOBMESSRID-UHFFFAOYSA-N 0 3 278.356 2.366 20 5 CEBDHN Cc1ccc([C@@H](C)NCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000085982710 179209946 /nfs/dbraw/zinc/20/99/46/179209946.db2.gz LVZOJIBSFUFKFV-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN CC[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])ncn1C ZINC000609595615 347646124 /nfs/dbraw/zinc/64/61/24/347646124.db2.gz XQOGZMOHXUDUDH-LLVKDONJSA-N 0 3 281.360 2.005 20 5 CEBDHN CCCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609798239 347651572 /nfs/dbraw/zinc/65/15/72/347651572.db2.gz KLYVVWXYGSNBKT-UHFFFAOYSA-N 0 3 278.356 2.302 20 5 CEBDHN O=C(CCN1C[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585529 347694323 /nfs/dbraw/zinc/69/43/23/347694323.db2.gz RXSYHIDMXCIJKF-DGCLKSJQSA-N 0 3 289.335 2.408 20 5 CEBDHN CCN1C[C@@H](C)N(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221675 347753201 /nfs/dbraw/zinc/75/32/01/347753201.db2.gz MEXBFGHZRKZXCA-VXGBXAGGSA-N 0 3 278.356 2.217 20 5 CEBDHN CC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1C ZINC000087027914 179381603 /nfs/dbraw/zinc/38/16/03/179381603.db2.gz AXUXVXBPUGMCEO-ZDUSSCGKSA-N 0 3 252.314 2.154 20 5 CEBDHN Cc1ccc([C@@H](C)NCC(C)(C)O)cc1[N+](=O)[O-] ZINC000087009745 179378702 /nfs/dbraw/zinc/37/87/02/179378702.db2.gz ITLFXFDXXNREOX-SNVBAGLBSA-N 0 3 252.314 2.325 20 5 CEBDHN CCOc1cc(CN(C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000617208022 348649682 /nfs/dbraw/zinc/64/96/82/348649682.db2.gz CUENJKBKYQEKRR-AWEZNQCLSA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1nccnc1CCNCc1ccc([N+](=O)[O-])cc1F ZINC000339533464 215233084 /nfs/dbraw/zinc/23/30/84/215233084.db2.gz WOOMFWHTTYFJET-UHFFFAOYSA-N 0 3 290.298 2.165 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000619566985 349200270 /nfs/dbraw/zinc/20/02/70/349200270.db2.gz FRHCBJOZWKDLKW-CYBMUJFWSA-N 0 3 291.351 2.151 20 5 CEBDHN COc1cccc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000090538637 180000412 /nfs/dbraw/zinc/00/04/12/180000412.db2.gz ZMJLGZSOASHPKU-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN Cc1cnc(NC[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692037 180024418 /nfs/dbraw/zinc/02/44/18/180024418.db2.gz ZRVFUPPFROYVRA-NSHDSACASA-N 0 3 276.340 2.194 20 5 CEBDHN Cc1cnc(NCCN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000090692121 180024571 /nfs/dbraw/zinc/02/45/71/180024571.db2.gz WMDOUVJLEJSBAY-UHFFFAOYSA-N 0 3 278.356 2.442 20 5 CEBDHN CCN1CCC[C@H](Nc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090692106 180024682 /nfs/dbraw/zinc/02/46/82/180024682.db2.gz HFCCCAZYFFUDCN-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC[C@H]1O ZINC000090738846 180034823 /nfs/dbraw/zinc/03/48/23/180034823.db2.gz UWKJXUSIYQAAEL-TVQRCGJNSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCCO[C@@H](CF)C2)cc1 ZINC000411866048 233293766 /nfs/dbraw/zinc/29/37/66/233293766.db2.gz WYIOJFCVPFPLTL-AWEZNQCLSA-N 0 3 282.315 2.198 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)N(C)C)C1 ZINC000411937111 233303341 /nfs/dbraw/zinc/30/33/41/233303341.db2.gz LTXSSQBGYQSSNZ-YPMHNXCESA-N 0 3 291.351 2.066 20 5 CEBDHN C[C@H]1[C@@H](CO)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000412093438 233337026 /nfs/dbraw/zinc/33/70/26/233337026.db2.gz RTHWCYYMQRLSLG-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)(N)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000070117729 363034103 /nfs/dbraw/zinc/03/41/03/363034103.db2.gz LXGRUHHDZKSLMG-UHFFFAOYSA-N 0 3 281.703 2.023 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271530141 191193877 /nfs/dbraw/zinc/19/38/77/191193877.db2.gz RWPBVVFEJGTMMC-MNOVXSKESA-N 0 3 279.340 2.078 20 5 CEBDHN Cc1cc(NC[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000073000360 363191096 /nfs/dbraw/zinc/19/10/96/363191096.db2.gz RDKYFZRYGQYACK-LLVKDONJSA-N 0 3 264.329 2.052 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155749246 188225058 /nfs/dbraw/zinc/22/50/58/188225058.db2.gz ZYDDXHMZOADURY-RISCZKNCSA-N 0 3 291.351 2.053 20 5 CEBDHN CC(C)OC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713353 191287119 /nfs/dbraw/zinc/28/71/19/191287119.db2.gz JMUNHFDEPNHMGN-NEPJUHHUSA-N 0 3 282.340 2.031 20 5 CEBDHN C[C@H](Cn1ccnc1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743050 299216420 /nfs/dbraw/zinc/21/64/20/299216420.db2.gz FNJKJTHCRVLLFE-BXUZGUMPSA-N 0 3 286.335 2.457 20 5 CEBDHN Cc1cc(N2CCCN(C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074747285 363381373 /nfs/dbraw/zinc/38/13/73/363381373.db2.gz NIAZEDHJXFLZBL-UHFFFAOYSA-N 0 3 278.356 2.219 20 5 CEBDHN Cc1cc(N[C@@H]2CCN(CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000074749680 363382339 /nfs/dbraw/zinc/38/23/39/363382339.db2.gz CUAVMLOFZAEWOB-GFCCVEGCSA-N 0 3 276.340 2.194 20 5 CEBDHN COC1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271799257 191333329 /nfs/dbraw/zinc/33/33/29/191333329.db2.gz WFOHZCJGTPROER-AWEZNQCLSA-N 0 3 294.351 2.129 20 5 CEBDHN CC(C)CC1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000595831439 540142849 /nfs/dbraw/zinc/14/28/49/540142849.db2.gz NVYZBSAZHMWWDE-UHFFFAOYSA-N 0 3 291.351 2.362 20 5 CEBDHN CN1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000375034497 283153646 /nfs/dbraw/zinc/15/36/46/283153646.db2.gz ARJCYQPIQUTOIN-GWCFXTLKSA-N 0 3 279.315 2.264 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CCCO)C1 ZINC000452127397 283197202 /nfs/dbraw/zinc/19/72/02/283197202.db2.gz VVHLPHIWZUTIHA-GFCCVEGCSA-N 0 3 294.351 2.198 20 5 CEBDHN CO[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076343794 363538808 /nfs/dbraw/zinc/53/88/08/363538808.db2.gz XGYIFBUQPXNSQX-CQSZACIVSA-N 0 3 280.324 2.084 20 5 CEBDHN CCOc1cccc(N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000134929106 366376352 /nfs/dbraw/zinc/37/63/52/366376352.db2.gz JMUBUEVOWLKJKF-SNVBAGLBSA-N 0 3 267.329 2.356 20 5 CEBDHN CCOC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000496795847 291171649 /nfs/dbraw/zinc/17/16/49/291171649.db2.gz SUUQHTILCXPHFT-SECBINFHSA-N 0 3 296.279 2.077 20 5 CEBDHN COCC[C@@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699067 366534255 /nfs/dbraw/zinc/53/42/55/366534255.db2.gz IBVSITVJIMECPF-SWLSCSKDSA-N 0 3 296.367 2.341 20 5 CEBDHN CCOc1cc(CN[C@@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138499 366601327 /nfs/dbraw/zinc/60/13/27/366601327.db2.gz SMTABLUKZHPGIA-KGLIPLIRSA-N 0 3 294.351 2.243 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000341873734 216132656 /nfs/dbraw/zinc/13/26/56/216132656.db2.gz AVOLGGMNEKEFAJ-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CCOC[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081519469 363723547 /nfs/dbraw/zinc/72/35/47/363723547.db2.gz VWNBAZMVCOPZEW-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN Cc1c(CN(C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000178360499 189109703 /nfs/dbraw/zinc/10/97/03/189109703.db2.gz OGPOKJDSYSKEIA-GFCCVEGCSA-N 0 3 264.325 2.372 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@H](CO)C1 ZINC000342242174 216275461 /nfs/dbraw/zinc/27/54/61/216275461.db2.gz IKAXINHISUYOQM-OLZOCXBDSA-N 0 3 278.352 2.483 20 5 CEBDHN Cc1ccc(CN2CC[C@H]([C@@H](C)O)C2)cc1[N+](=O)[O-] ZINC000180850044 189279597 /nfs/dbraw/zinc/27/95/97/189279597.db2.gz YWMJYCGISZZMRJ-YPMHNXCESA-N 0 3 264.325 2.106 20 5 CEBDHN CN(C)CCN(c1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000339968283 366733046 /nfs/dbraw/zinc/73/30/46/366733046.db2.gz XFZFWNVUKINYIX-UHFFFAOYSA-N 0 3 284.385 2.362 20 5 CEBDHN C[C@H](NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739393 363786220 /nfs/dbraw/zinc/78/62/20/363786220.db2.gz FOPGIMMVJZCOLC-WDEREUQCSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@H](NC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739391 363786225 /nfs/dbraw/zinc/78/62/25/363786225.db2.gz FOPGIMMVJZCOLC-QWRGUYRKSA-N 0 3 250.298 2.424 20 5 CEBDHN CN1CCC(NCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000089647584 363987678 /nfs/dbraw/zinc/98/76/78/363987678.db2.gz ICHRJYNDRCEIAY-UHFFFAOYSA-N 0 3 283.759 2.432 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000112311622 364791036 /nfs/dbraw/zinc/79/10/36/364791036.db2.gz HWRMDEYBSHDZOO-UHFFFAOYSA-N 0 3 293.367 2.365 20 5 CEBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000114725471 364962311 /nfs/dbraw/zinc/96/23/11/364962311.db2.gz GQWXOBZFGAJUCY-UHFFFAOYSA-N 0 3 279.340 2.172 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H]2CC[C@@H](CO)O2)cccc1[N+](=O)[O-] ZINC000340418199 366878872 /nfs/dbraw/zinc/87/88/72/366878872.db2.gz UCQUBAZFAHGJFV-AVGNSLFASA-N 0 3 294.351 2.094 20 5 CEBDHN CC[C@H](O)CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164131641 367278201 /nfs/dbraw/zinc/27/82/01/367278201.db2.gz IZTJODIPVAJKFI-STQMWFEESA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H](O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168138471 367346950 /nfs/dbraw/zinc/34/69/50/367346950.db2.gz OLKXVBUYPFVBAM-MRVPVSSYSA-N 0 3 272.732 2.497 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000171377895 367531444 /nfs/dbraw/zinc/53/14/44/367531444.db2.gz BWFBAFVDZSDMNQ-ZDUSSCGKSA-N 0 3 292.335 2.180 20 5 CEBDHN Cc1cc(N[C@H]2CCCN(C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000343535534 367869258 /nfs/dbraw/zinc/86/92/58/367869258.db2.gz QEXGGNVYHBRMNM-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN(Cc2ccccc2)C2CC2)n1 ZINC000176202551 368211597 /nfs/dbraw/zinc/21/15/97/368211597.db2.gz CSIASKJEKHUXKO-UHFFFAOYSA-N 0 3 286.335 2.456 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNC2(c3cccc(F)c3)CC2)c1 ZINC000179681785 368348056 /nfs/dbraw/zinc/34/80/56/368348056.db2.gz CFJUFFDUUFMQMD-UHFFFAOYSA-N 0 3 290.298 2.209 20 5 CEBDHN CCCN1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183222500 368616291 /nfs/dbraw/zinc/61/62/91/368616291.db2.gz KQJIYKKHNMXSIL-UHFFFAOYSA-N 0 3 277.368 2.431 20 5 CEBDHN CC(C)C[C@H](CO)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000185317243 368785389 /nfs/dbraw/zinc/78/53/89/368785389.db2.gz BGSKKWGUAHWYLQ-CYBMUJFWSA-N 0 3 266.341 2.434 20 5 CEBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000348322634 369003093 /nfs/dbraw/zinc/00/30/93/369003093.db2.gz NZIICFRSSHJNEF-UHFFFAOYSA-N 0 3 280.353 2.378 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@H]1CN1CCCC1 ZINC000189078488 369453312 /nfs/dbraw/zinc/45/33/12/369453312.db2.gz VHUMFVOOHOCZHC-LBPRGKRZSA-N 0 3 276.340 2.054 20 5 CEBDHN CC1(C)[C@@H](O)C[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000189332766 369498770 /nfs/dbraw/zinc/49/87/70/369498770.db2.gz SVFWZKMDGWBPQQ-MPCGPATOSA-N 0 3 276.336 2.357 20 5 CEBDHN CN1CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352350859 369684829 /nfs/dbraw/zinc/68/48/29/369684829.db2.gz QODBNHLTYBAKQM-GFCCVEGCSA-N 0 3 286.335 2.071 20 5 CEBDHN COc1cc(CN2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352541352 369778800 /nfs/dbraw/zinc/77/88/00/369778800.db2.gz WXJWMUHPAVYGIL-HNNXBMFYSA-N 0 3 292.335 2.216 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cc(Cl)cs2)c1 ZINC000193156668 369900172 /nfs/dbraw/zinc/90/01/72/369900172.db2.gz VPPWMBMVPJWJOH-UHFFFAOYSA-N 0 3 286.744 2.296 20 5 CEBDHN Cc1cc(CCNCc2cccc([N+](=O)[O-])c2)on1 ZINC000353080043 370009864 /nfs/dbraw/zinc/00/98/64/370009864.db2.gz BPQYGGDQSJBZOY-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN CCOc1ccc([C@@H](C)NCCCCO)cc1[N+](=O)[O-] ZINC000194217468 370015219 /nfs/dbraw/zinc/01/52/19/370015219.db2.gz QLAMCPOXXFMEPQ-LLVKDONJSA-N 0 3 282.340 2.417 20 5 CEBDHN COCC[C@H](COC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353129843 370031026 /nfs/dbraw/zinc/03/10/26/370031026.db2.gz TZRLPKVDXBJGQE-BRLPQQTGSA-N 0 3 294.351 2.249 20 5 CEBDHN CCN1CCC[C@H](NC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000194604501 370057204 /nfs/dbraw/zinc/05/72/04/370057204.db2.gz HLYXXXICUNYRMG-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CS[C@@H](CO)[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059721 370216954 /nfs/dbraw/zinc/21/69/54/370216954.db2.gz VWOIIBJESNFCEP-GWCFXTLKSA-N 0 3 284.381 2.105 20 5 CEBDHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000221255316 370239468 /nfs/dbraw/zinc/23/94/68/370239468.db2.gz FVCOUJXVQSPVNR-JTQLQIEISA-N 0 3 253.277 2.240 20 5 CEBDHN CCC(CC)[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000225820246 370321163 /nfs/dbraw/zinc/32/11/63/370321163.db2.gz MYVAOCRFCCNARL-AWEZNQCLSA-N 0 3 266.341 2.482 20 5 CEBDHN CCN(CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000227549895 370373662 /nfs/dbraw/zinc/37/36/62/370373662.db2.gz VDHIXVYSDUIYEL-UHFFFAOYSA-N 0 3 295.368 2.200 20 5 CEBDHN C[C@@H](O)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228031374 370393256 /nfs/dbraw/zinc/39/32/56/370393256.db2.gz JCNHYSMDRYUHOQ-GHMZBOCLSA-N 0 3 252.314 2.406 20 5 CEBDHN CN1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142347 370441114 /nfs/dbraw/zinc/44/11/14/370441114.db2.gz UVMJEQCVARRWJU-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@@H](NCCc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC000231030316 370474002 /nfs/dbraw/zinc/47/40/02/370474002.db2.gz NQUADENCJIVBHF-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCN1CC=CCC1 ZINC000355527598 370587485 /nfs/dbraw/zinc/58/74/85/370587485.db2.gz GHLANAULZQTBPV-SOFGYWHQSA-N 0 3 287.363 2.460 20 5 CEBDHN C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248494118 371202677 /nfs/dbraw/zinc/20/26/77/371202677.db2.gz PPAHYBISQVJMBD-CLFVBBPSSA-N 0 3 270.354 2.012 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252538438 371454919 /nfs/dbraw/zinc/45/49/19/371454919.db2.gz AODNJKHTYOVYTB-KBPBESRZSA-N 0 3 291.351 2.178 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000361063548 371629189 /nfs/dbraw/zinc/62/91/89/371629189.db2.gz SAMANRPVISJYDK-KOLCDFICSA-N 0 3 293.371 2.157 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000353307482 220018997 /nfs/dbraw/zinc/01/89/97/220018997.db2.gz KSNVLEHMAXJECE-OAHLLOKOSA-N 0 3 275.352 2.263 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000270107102 372667544 /nfs/dbraw/zinc/66/75/44/372667544.db2.gz MBXBAKZUHQXINV-GXTWGEPZSA-N 0 3 264.325 2.188 20 5 CEBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1O ZINC000270859378 372985972 /nfs/dbraw/zinc/98/59/72/372985972.db2.gz HXPWGTNZKBRJPC-RISCZKNCSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000274430552 373919718 /nfs/dbraw/zinc/91/97/18/373919718.db2.gz DXASTYBECOYWQS-CYBMUJFWSA-N 0 3 292.383 2.033 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000371900047 374000734 /nfs/dbraw/zinc/00/07/34/374000734.db2.gz UNFNENGTSQFRMJ-CYBMUJFWSA-N 0 3 286.335 2.273 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000277631595 374586578 /nfs/dbraw/zinc/58/65/78/374586578.db2.gz CFQRYXJLLXVMPV-PSASIEDQSA-N 0 3 256.327 2.171 20 5 CEBDHN CO[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282386164 375471632 /nfs/dbraw/zinc/47/16/32/375471632.db2.gz ORJKKPQPAZYFOG-DFBGVHRSSA-N 0 3 294.351 2.128 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966358 375787489 /nfs/dbraw/zinc/78/74/89/375787489.db2.gz FDIYVDFUQPGBEE-JOYOIKCWSA-N 0 3 295.295 2.018 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283966361 375788601 /nfs/dbraw/zinc/78/86/01/375788601.db2.gz FDIYVDFUQPGBEE-SKDRFNHKSA-N 0 3 295.295 2.018 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c1 ZINC000414540015 375843091 /nfs/dbraw/zinc/84/30/91/375843091.db2.gz TWGUXQAWNBOWJT-NWDGAFQWSA-N 0 3 286.278 2.233 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H](CO)C2)c(F)c1 ZINC000414577681 375867167 /nfs/dbraw/zinc/86/71/67/375867167.db2.gz OZEFFZJPJNPQKJ-ZYHUDNBSSA-N 0 3 282.315 2.375 20 5 CEBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cccc([N+](=O)[O-])c1 ZINC000286713779 376043917 /nfs/dbraw/zinc/04/39/17/376043917.db2.gz WXRMAKBYHSGCNW-RHMLRGBNSA-N 0 3 288.347 2.450 20 5 CEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN(C)C ZINC000286916706 376101640 /nfs/dbraw/zinc/10/16/40/376101640.db2.gz HYLCWHLZBBZVRG-VIFPVBQESA-N 0 3 299.758 2.237 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CN(C)C ZINC000287091569 376148285 /nfs/dbraw/zinc/14/82/85/376148285.db2.gz IZXNYSSUXBBDFW-NSHDSACASA-N 0 3 294.355 2.283 20 5 CEBDHN CC[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000558982388 376657081 /nfs/dbraw/zinc/65/70/81/376657081.db2.gz MINSTXPPPGGGJE-GFCCVEGCSA-N 0 3 263.341 2.434 20 5 CEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000264632057 190124408 /nfs/dbraw/zinc/12/44/08/190124408.db2.gz OEQTZBMGDKZOFC-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN Cc1cc(C)c(OC[C@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290753104 376908916 /nfs/dbraw/zinc/90/89/16/376908916.db2.gz JASVGVWNBPDUNN-CYBMUJFWSA-N 0 3 294.351 2.046 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568204 377187934 /nfs/dbraw/zinc/18/79/34/377187934.db2.gz LQERCGQXUWHGKZ-RTXFEEFZSA-N 0 3 291.351 2.160 20 5 CEBDHN CC[C@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000564204089 377358579 /nfs/dbraw/zinc/35/85/79/377358579.db2.gz KWSYSBADSIQKDZ-NSHDSACASA-N 0 3 292.257 2.474 20 5 CEBDHN CC(C)[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000293305156 377514435 /nfs/dbraw/zinc/51/44/35/377514435.db2.gz LAHLTZYFMSFXRU-CQSZACIVSA-N 0 3 266.341 2.086 20 5 CEBDHN CC[C@@H](O)[C@H](CC)NCc1ccc([N+](=O)[O-])cc1 ZINC000313127129 249385841 /nfs/dbraw/zinc/38/58/41/249385841.db2.gz ZHCOMULYNPNRGD-QWHCGFSZSA-N 0 3 252.314 2.234 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CC2)C[C@H](C)C1 ZINC000294970797 378032935 /nfs/dbraw/zinc/03/29/35/378032935.db2.gz OICVCBRIYTUDJM-NSHDSACASA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000295325543 378106913 /nfs/dbraw/zinc/10/69/13/378106913.db2.gz ZFZZFXJFTBSPAC-WDEREUQCSA-N 0 3 291.351 2.221 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCC1(C)C ZINC000450946552 378655930 /nfs/dbraw/zinc/65/59/30/378655930.db2.gz AMLRSMAWMQBOEB-UHFFFAOYSA-N 0 3 295.387 2.406 20 5 CEBDHN Cc1cnc(N(C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266222622 190241628 /nfs/dbraw/zinc/24/16/28/190241628.db2.gz QVABGUYHDDLUKW-NEPJUHHUSA-N 0 3 278.356 2.217 20 5 CEBDHN CC[C@@H](NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395924 378885403 /nfs/dbraw/zinc/88/54/03/378885403.db2.gz IGJOFYZKCISHBK-HIFRSBDPSA-N 0 3 291.351 2.304 20 5 CEBDHN Cc1c(NC(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000299262358 378946764 /nfs/dbraw/zinc/94/67/64/378946764.db2.gz VWALNXGUPATICP-LLVKDONJSA-N 0 3 292.339 2.119 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(O)CC1 ZINC000347374976 218211235 /nfs/dbraw/zinc/21/12/35/218211235.db2.gz YNQNCCVSHDKYDI-XFXZXTDPSA-N 0 3 276.336 2.455 20 5 CEBDHN C[C@H](Cn1cccn1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515670569 379235981 /nfs/dbraw/zinc/23/59/81/379235981.db2.gz PWPSHXKPQKEVES-RISCZKNCSA-N 0 3 286.335 2.457 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(C)(C)O ZINC000267183763 190309355 /nfs/dbraw/zinc/30/93/55/190309355.db2.gz ZYQMHQWAPWXHAU-JTQLQIEISA-N 0 3 252.314 2.359 20 5 CEBDHN CC(C)(O)[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000305154225 379664532 /nfs/dbraw/zinc/66/45/32/379664532.db2.gz BLFFWFGDRSLQCE-AWEZNQCLSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000268034061 190371483 /nfs/dbraw/zinc/37/14/83/190371483.db2.gz LVOQOUPLPRDJQT-MNOVXSKESA-N 0 3 277.324 2.312 20 5 CEBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489468708 380194032 /nfs/dbraw/zinc/19/40/32/380194032.db2.gz YLKLAXCNDCUKSY-OCCSQVGLSA-N 0 3 294.351 2.065 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@@H]1O ZINC000189787196 130022651 /nfs/dbraw/zinc/02/26/51/130022651.db2.gz FUARYOMJUBGPNS-KBPBESRZSA-N 0 3 264.325 2.296 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccccc1 ZINC000355434222 394452428 /nfs/dbraw/zinc/45/24/28/394452428.db2.gz BGKGWANGXKTTJB-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN CN(C[C@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421092507 394484043 /nfs/dbraw/zinc/48/40/43/394484043.db2.gz HOHMFCQXZNRQNZ-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000413158068 394495160 /nfs/dbraw/zinc/49/51/60/394495160.db2.gz VHDZZOUMOARSDI-GHMZBOCLSA-N 0 3 296.346 2.438 20 5 CEBDHN Cc1cc(C(=O)N(C)C[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000421704503 394569992 /nfs/dbraw/zinc/56/99/92/394569992.db2.gz OSZNYOGXJDUBBD-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000421704504 394570178 /nfs/dbraw/zinc/57/01/78/394570178.db2.gz OSZNYOGXJDUBBD-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000133503020 394953560 /nfs/dbraw/zinc/95/35/60/394953560.db2.gz DXSDZEWRXINXKV-ZJUUUORDSA-N 0 3 262.313 2.027 20 5 CEBDHN CC(C)[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131329803 394907595 /nfs/dbraw/zinc/90/75/95/394907595.db2.gz HYWLWBBXZVYSGF-GXFFZTMASA-N 0 3 252.314 2.262 20 5 CEBDHN CC(C)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373566040 395062799 /nfs/dbraw/zinc/06/27/99/395062799.db2.gz GUTHGQJNZTYWOO-NSHDSACASA-N 0 3 252.318 2.084 20 5 CEBDHN Cc1cccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343424473 395039335 /nfs/dbraw/zinc/03/93/35/395039335.db2.gz DOYGAIRPAGCIBI-DGCLKSJQSA-N 0 3 291.351 2.116 20 5 CEBDHN CN(C)C1(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000397907878 395229693 /nfs/dbraw/zinc/22/96/93/395229693.db2.gz XKQVDVICGPUEDV-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CCN(C)C[C@@H]2C)n1 ZINC000408168914 395293067 /nfs/dbraw/zinc/29/30/67/395293067.db2.gz JXHTZPNUXUOQQS-WCQYABFASA-N 0 3 292.383 2.383 20 5 CEBDHN Cc1ncc2c(n1)CC[C@@H](NCc1ccccc1[N+](=O)[O-])C2 ZINC000360253791 155253584 /nfs/dbraw/zinc/25/35/84/155253584.db2.gz KKECNJRSTWBFBZ-CQSZACIVSA-N 0 3 298.346 2.340 20 5 CEBDHN CO[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830894 153351727 /nfs/dbraw/zinc/35/17/27/153351727.db2.gz BKKKKRGXGZATOD-QWHCGFSZSA-N 0 3 264.325 2.498 20 5 CEBDHN C[C@@H](O)CCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000228044400 153355503 /nfs/dbraw/zinc/35/55/03/153355503.db2.gz XXCPAJRPVHIWDV-MNOVXSKESA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@]1(O)CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000230376167 153394813 /nfs/dbraw/zinc/39/48/13/153394813.db2.gz YXBIMEDKWQTIAE-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC3)C[C@@H](C)C2)n1 ZINC000295040223 292286925 /nfs/dbraw/zinc/28/69/25/292286925.db2.gz WZUZYTPMAUQGPV-LLVKDONJSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1c(CN(C)[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352661879 154326800 /nfs/dbraw/zinc/32/68/00/154326800.db2.gz ZJHCDPTWEYZSOE-KBPBESRZSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@]23CCOC3)cc1 ZINC000367453515 156188791 /nfs/dbraw/zinc/18/87/91/156188791.db2.gz ZOCOFMLKLYWSHI-AWEZNQCLSA-N 0 3 262.309 2.350 20 5 CEBDHN CS[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270418495 286708663 /nfs/dbraw/zinc/70/86/63/286708663.db2.gz ZJFCSSBOGCMXQK-CHWSQXEVSA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000135469011 287052040 /nfs/dbraw/zinc/05/20/40/287052040.db2.gz FHIINLMUKPDNPJ-MXWKQRLJSA-N 0 3 252.314 2.262 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCC[C@H]1O ZINC000563898899 298808291 /nfs/dbraw/zinc/80/82/91/298808291.db2.gz SRVKNTNYCCSOMR-YRGRVCCFSA-N 0 3 262.309 2.085 20 5 CEBDHN COc1ccc(CN[C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735715 172388586 /nfs/dbraw/zinc/38/85/86/172388586.db2.gz YJXXPKQJTUYEIV-GWCFXTLKSA-N 0 3 280.324 2.261 20 5 CEBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000044537726 175200161 /nfs/dbraw/zinc/20/01/61/175200161.db2.gz SDDPWQHBIWDKIT-JTQLQIEISA-N 0 3 267.304 2.488 20 5 CEBDHN CN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000103175735 261276186 /nfs/dbraw/zinc/27/61/86/261276186.db2.gz CIYKUMSIBNMPBF-UHFFFAOYSA-N 0 3 292.339 2.154 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCC2)c1 ZINC000525748672 262095766 /nfs/dbraw/zinc/09/57/66/262095766.db2.gz WBOISEJBGPLKJS-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CN1C[C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425357918 264069111 /nfs/dbraw/zinc/06/91/11/264069111.db2.gz PQAXIFRUHYZKTQ-SWLSCSKDSA-N 0 3 275.352 2.121 20 5 CEBDHN CN1C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000425354524 264072306 /nfs/dbraw/zinc/07/23/06/264072306.db2.gz KNVTVNBMRKXSKI-SWLSCSKDSA-N 0 3 293.342 2.260 20 5 CEBDHN Cc1nc(N2CC[C@]3(C2)CCCN(C)C3)ccc1[N+](=O)[O-] ZINC000514661251 266032010 /nfs/dbraw/zinc/03/20/10/266032010.db2.gz WKZOFXGOFZMRSR-OAHLLOKOSA-N 0 3 290.367 2.220 20 5 CEBDHN C[C@H](NC[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323026 270334356 /nfs/dbraw/zinc/33/43/56/270334356.db2.gz LCYXZPUDLKTPLY-IINYFYTJSA-N 0 3 264.325 2.406 20 5 CEBDHN CC(C)(O)C(C)(C)CNCc1cccc([N+](=O)[O-])c1 ZINC000393628771 270343214 /nfs/dbraw/zinc/34/32/14/270343214.db2.gz ZNZJYVJWYPLCCA-UHFFFAOYSA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000395267847 270346016 /nfs/dbraw/zinc/34/60/16/270346016.db2.gz JWDXESNHXOVMOJ-BREBYQMCSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642030 270360007 /nfs/dbraw/zinc/36/00/07/270360007.db2.gz XQFTYMOTDVDVQM-VXGBXAGGSA-N 0 3 264.325 2.045 20 5 CEBDHN CCN(CCNC(=O)c1cccc(C)c1[N+](=O)[O-])C1CC1 ZINC000101958683 276130354 /nfs/dbraw/zinc/13/03/54/276130354.db2.gz WLTUEJFMSZQSMN-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000293056826 278526045 /nfs/dbraw/zinc/52/60/45/278526045.db2.gz RZQXVOCDUXKTPP-RISCZKNCSA-N 0 3 264.325 2.236 20 5 CEBDHN CC(C)C[C@@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332651793 279026522 /nfs/dbraw/zinc/02/65/22/279026522.db2.gz CYELWDIYXMGUCY-NSHDSACASA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000267076436 280661961 /nfs/dbraw/zinc/66/19/61/280661961.db2.gz RPOHRDLEOYLYJY-AWEZNQCLSA-N 0 3 273.336 2.354 20 5 CEBDHN CCOc1cccc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000397962779 280688605 /nfs/dbraw/zinc/68/86/05/280688605.db2.gz FAFBLQYQUQGKRW-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN CN(C)C[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000269607981 289192662 /nfs/dbraw/zinc/19/26/62/289192662.db2.gz CZJGVFKYTOLYLG-VIFPVBQESA-N 0 3 285.294 2.403 20 5 CEBDHN CC(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000487995597 290372546 /nfs/dbraw/zinc/37/25/46/290372546.db2.gz AYIYGOKFUSSVMT-OAHLLOKOSA-N 0 3 277.368 2.367 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(CC1(O)CCCC1)C2 ZINC000535247885 298184640 /nfs/dbraw/zinc/18/46/40/298184640.db2.gz TUHSMSKUJDQVPU-UHFFFAOYSA-N 0 3 276.336 2.258 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(C2CC2)CC1 ZINC000542525339 298292440 /nfs/dbraw/zinc/29/24/40/298292440.db2.gz HHGHHLJLFRBLFV-UHFFFAOYSA-N 0 3 289.335 2.374 20 5 CEBDHN CC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1c(C)noc1C ZINC000182408015 312818353 /nfs/dbraw/zinc/81/83/53/312818353.db2.gz BQVYUDHPXKBMEH-LLVKDONJSA-N 0 3 293.327 2.137 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CN(C)C ZINC000573104293 314140937 /nfs/dbraw/zinc/14/09/37/314140937.db2.gz NONCMORLSNPCAT-NSHDSACASA-N 0 3 281.356 2.033 20 5 CEBDHN C/C=C/C[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478768 314280686 /nfs/dbraw/zinc/28/06/86/314280686.db2.gz BFNSOVKDHHJDPG-XXMQVSLVSA-N 0 3 276.336 2.499 20 5 CEBDHN C/C=C\C[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478767 314281050 /nfs/dbraw/zinc/28/10/50/314281050.db2.gz BFNSOVKDHHJDPG-USXUBVMZSA-N 0 3 276.336 2.499 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCn1ccnc1 ZINC000582132113 322450091 /nfs/dbraw/zinc/45/00/91/322450091.db2.gz BAAOAALUVUDBGH-ZDUSSCGKSA-N 0 3 272.308 2.068 20 5 CEBDHN C[C@H](C[C@H](C)O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582736128 322499578 /nfs/dbraw/zinc/49/95/78/322499578.db2.gz UDSSGCRHVPFBJD-GBIKHYSHSA-N 0 3 264.325 2.331 20 5 CEBDHN CC(C)N(C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049400751 519611730 /nfs/dbraw/zinc/61/17/30/519611730.db2.gz LRSIXDRWJYOFTA-LLVKDONJSA-N 0 3 279.340 2.112 20 5 CEBDHN C[C@H](CC(N)=O)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316234 533759693 /nfs/dbraw/zinc/75/96/93/533759693.db2.gz UCNDRQGULFUBOM-QMTHXVAHSA-N 0 3 291.351 2.216 20 5 CEBDHN CC(=O)c1ccc(NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000069535041 518383216 /nfs/dbraw/zinc/38/32/16/518383216.db2.gz VCHXDRGTWZDULK-NSHDSACASA-N 0 3 277.324 2.161 20 5 CEBDHN COCCN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000061379760 523613935 /nfs/dbraw/zinc/61/39/35/523613935.db2.gz CPWGCCIJIAUPAJ-UHFFFAOYSA-N 0 3 287.747 2.238 20 5 CEBDHN Cc1c(CN[C@H]2CCCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815930 525730285 /nfs/dbraw/zinc/73/02/85/525730285.db2.gz ZDNVLSCVHSIXAF-STQMWFEESA-N 0 3 291.351 2.037 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCCC[C@@H]2O)c1 ZINC000052926291 527386173 /nfs/dbraw/zinc/38/61/73/527386173.db2.gz ZYNIYWVUFOWANS-KBPBESRZSA-N 0 3 264.325 2.378 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CC2)ccc1Cl ZINC000734164851 574704263 /nfs/dbraw/zinc/70/42/63/574704263.db2.gz QDDBAEUNJJSETB-LLVKDONJSA-N 0 3 270.716 2.109 20 5 CEBDHN Cc1nn(CN(C(C)C)C2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749942018 575240649 /nfs/dbraw/zinc/24/06/49/575240649.db2.gz SHQNWZUQZZPZCA-UHFFFAOYSA-N 0 3 289.339 2.478 20 5 CEBDHN Cc1nn(CN(C)CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749943446 575240753 /nfs/dbraw/zinc/24/07/53/575240753.db2.gz GGZJKRYXDWCONU-UHFFFAOYSA-N 0 3 277.328 2.193 20 5 CEBDHN Cc1nn(CN(C)C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939009 575240937 /nfs/dbraw/zinc/24/09/37/575240937.db2.gz UMBDCQSCNHUKMH-UHFFFAOYSA-N 0 3 289.339 2.480 20 5 CEBDHN C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000751928591 575301487 /nfs/dbraw/zinc/30/14/87/575301487.db2.gz NFJBDQUMLKNSLI-GHMZBOCLSA-N 0 3 274.324 2.490 20 5 CEBDHN Cc1cccc([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813101821 623019039 /nfs/dbraw/zinc/01/90/39/623019039.db2.gz JJGRQYHOAKMPQH-WDEREUQCSA-N 0 3 251.282 2.307 20 5 CEBDHN Cc1ccc(OCCC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813103371 623019946 /nfs/dbraw/zinc/01/99/46/623019946.db2.gz POMRLMMRIZFWJN-GFCCVEGCSA-N 0 3 281.308 2.281 20 5 CEBDHN Cc1nc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2s1 ZINC000813105097 623023307 /nfs/dbraw/zinc/02/33/07/623023307.db2.gz VPARGYMNUJSZED-ZETCQYMHSA-N 0 3 280.305 2.427 20 5 CEBDHN CCCOc1cc(OC)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115581 623082330 /nfs/dbraw/zinc/08/23/30/623082330.db2.gz VXXSHTWBUJXPEX-JTQLQIEISA-N 0 3 297.307 2.306 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000893043756 627964538 /nfs/dbraw/zinc/96/45/38/627964538.db2.gz CJMSQLQZFPGFSJ-MRVPVSSYSA-N 0 3 287.262 2.451 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H]2CCC(=O)O2)cc1[N+](=O)[O-] ZINC000821402155 634712262 /nfs/dbraw/zinc/71/22/62/634712262.db2.gz NJWLHGKQPPGQGT-PWSUYJOCSA-N 0 3 278.308 2.259 20 5 CEBDHN CC(C)Oc1nc(N[C@H]2CCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000895736537 630326326 /nfs/dbraw/zinc/32/63/26/630326326.db2.gz KLNSZKIOUBXIJX-QWRGUYRKSA-N 0 3 294.355 2.282 20 5 CEBDHN COc1cc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737761 630327688 /nfs/dbraw/zinc/32/76/88/630327688.db2.gz YHZVTOUWEPZJDJ-ZJUUUORDSA-N 0 3 295.339 2.117 20 5 CEBDHN CN1CC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000895769036 630337895 /nfs/dbraw/zinc/33/78/95/630337895.db2.gz LXBOUDUPPXPHHF-GFCCVEGCSA-N 0 3 272.308 2.259 20 5 CEBDHN C[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896737324 630653384 /nfs/dbraw/zinc/65/33/84/630653384.db2.gz QYGPNAKVWNTXPM-LDYMZIIASA-N 0 3 270.716 2.373 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545012 631286882 /nfs/dbraw/zinc/28/68/82/631286882.db2.gz XVMHEACBFQRXJH-TZMCWYRMSA-N 0 3 298.314 2.018 20 5 CEBDHN CCCCOc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905050941 635789316 /nfs/dbraw/zinc/78/93/16/635789316.db2.gz SXGBMUZIODXSDF-UHFFFAOYSA-N 0 3 266.341 2.274 20 5 CEBDHN C[C@@H](NCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084906 632451908 /nfs/dbraw/zinc/45/19/08/632451908.db2.gz OGKKJMNGHXUXNY-BXUZGUMPSA-N 0 3 280.324 2.051 20 5 CEBDHN CC(COC(=O)c1cn(C)c2ccc(F)cc12)[N+](=O)[O-] ZINC000813103243 632621415 /nfs/dbraw/zinc/62/14/15/632621415.db2.gz ZGXNQSUOWQHWSG-QMMMGPOBSA-N 0 3 280.255 2.139 20 5 CEBDHN COc1ccccc1/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813102536 632621830 /nfs/dbraw/zinc/62/18/30/632621830.db2.gz RLMNBNAGYKVISS-IEHMKBBKSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)C1(Cc2ccc(F)cc2)CC1)[N+](=O)[O-] ZINC000813105005 632622764 /nfs/dbraw/zinc/62/27/64/632622764.db2.gz JBIYZLAAFDQMII-SNVBAGLBSA-N 0 3 281.283 2.357 20 5 CEBDHN CC(COC(=O)CCCOc1ccccc1F)[N+](=O)[O-] ZINC000813104044 632623027 /nfs/dbraw/zinc/62/30/27/632623027.db2.gz WPJSNZNHAJFCRT-SNVBAGLBSA-N 0 3 285.271 2.193 20 5 CEBDHN Cc1ccc2c(CC(=O)OCC(C)[N+](=O)[O-])coc2c1 ZINC000813105829 632623598 /nfs/dbraw/zinc/62/35/98/632623598.db2.gz VFSLRLRGQZFENT-JTQLQIEISA-N 0 3 277.276 2.492 20 5 CEBDHN Cc1onc(-c2ccccc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108785 632625836 /nfs/dbraw/zinc/62/58/36/632625836.db2.gz AMXFEWRMMLACTC-SECBINFHSA-N 0 3 290.275 2.472 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1cccc(F)c1 ZINC000813110099 632626396 /nfs/dbraw/zinc/62/63/96/632626396.db2.gz ZIVOMZCGTLRKDU-MBACFSSFSA-N 0 3 267.256 2.437 20 5 CEBDHN CC(COC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]1C)[N+](=O)[O-] ZINC000813111635 632627220 /nfs/dbraw/zinc/62/72/20/632627220.db2.gz JJXBREZAUKBAQI-UKJIMTQDSA-N 0 3 263.293 2.245 20 5 CEBDHN CC(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813111985 632627255 /nfs/dbraw/zinc/62/72/55/632627255.db2.gz MDXLFZQHKYKXIH-LURJTMIESA-N 0 3 288.643 2.070 20 5 CEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CCC(C)C ZINC000813111250 632627392 /nfs/dbraw/zinc/62/73/92/632627392.db2.gz FBYDYTOGMGJHKR-LLVKDONJSA-N 0 3 297.355 2.314 20 5 CEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1CCC(C)C ZINC000813111251 632627866 /nfs/dbraw/zinc/62/78/66/632627866.db2.gz FBYDYTOGMGJHKR-NSHDSACASA-N 0 3 297.355 2.314 20 5 CEBDHN CC(COC(=O)c1ccnc2ccccc21)[N+](=O)[O-] ZINC000813115446 632629360 /nfs/dbraw/zinc/62/93/60/632629360.db2.gz SGKNQWJZMMAFSJ-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccccc2Br)CC1 ZINC000905132006 635838303 /nfs/dbraw/zinc/83/83/03/635838303.db2.gz JRCVYESQNCHNNQ-UHFFFAOYSA-N 0 3 299.168 2.347 20 5 CEBDHN CC(COC(=O)c1ccc(C(C)(C)C)cn1)[N+](=O)[O-] ZINC000817739002 633732820 /nfs/dbraw/zinc/73/28/20/633732820.db2.gz FRVBTEQKDQFMEE-VIFPVBQESA-N 0 3 266.297 2.201 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CNCCC(F)(F)F)c1 ZINC000819123707 634074762 /nfs/dbraw/zinc/07/47/62/634074762.db2.gz ACALFLUUQUEKFD-SNVBAGLBSA-N 0 3 278.230 2.170 20 5 CEBDHN Cc1cncc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819193971 634100451 /nfs/dbraw/zinc/10/04/51/634100451.db2.gz NCNMIERRLCBIFT-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN COc1cc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)cc([N+](=O)[O-])c1 ZINC000903112841 634977349 /nfs/dbraw/zinc/97/73/49/634977349.db2.gz JNPNKQVXLQWIGM-NTZNESFSSA-N 0 3 292.335 2.191 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2noc(C34CCC(CC3)N4)n2)s1 ZINC000904691226 635699404 /nfs/dbraw/zinc/69/94/04/635699404.db2.gz XQXPKHRCSKGNIF-UHFFFAOYSA-N 0 3 292.320 2.447 20 5 CEBDHN Cc1c(CNCCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000228364894 639632104 /nfs/dbraw/zinc/63/21/04/639632104.db2.gz NJLMSZVXQUMOHU-UHFFFAOYSA-N 0 3 293.367 2.298 20 5 CEBDHN CC(COC(=O)[C@H]1CCCC[C@H]1C1CC1)[N+](=O)[O-] ZINC000842801516 640187043 /nfs/dbraw/zinc/18/70/43/640187043.db2.gz JNVNEJIKGHLBRO-USWWRNFRSA-N 0 3 255.314 2.411 20 5 CEBDHN CCC(C)(C)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000848300330 641956099 /nfs/dbraw/zinc/95/60/99/641956099.db2.gz GEYUVVDJUNQVFQ-UHFFFAOYSA-N 0 3 299.415 2.155 20 5 CEBDHN CC(COC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)[N+](=O)[O-] ZINC000851036761 642890354 /nfs/dbraw/zinc/89/03/54/642890354.db2.gz MSVBSVYVGUHJPP-NNYUYHANSA-N 0 3 255.314 2.411 20 5 CEBDHN CN(CC1=CCSC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852747737 643532128 /nfs/dbraw/zinc/53/21/28/643532128.db2.gz VPQRIJOUMDAHBO-AWEZNQCLSA-N 0 3 294.376 2.233 20 5 CEBDHN Cn1cc(CNCCc2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000856775167 644719188 /nfs/dbraw/zinc/71/91/88/644719188.db2.gz GKOFQMBTKLHECW-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN COc1ccc(OCCN2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000761097497 645240081 /nfs/dbraw/zinc/24/00/81/645240081.db2.gz TTWYXKBDVALFLY-CMPLNLGQSA-N 0 3 278.308 2.076 20 5 CEBDHN C[C@@H]1OCC[C@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302931 651059884 /nfs/dbraw/zinc/05/98/84/651059884.db2.gz BDCACFHUYVPRAT-RYUDHWBXSA-N 0 3 276.336 2.378 20 5 CEBDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccccc1[N+](=O)[O-] ZINC000775596216 646970634 /nfs/dbraw/zinc/97/06/34/646970634.db2.gz CXNYNPZTWAOAGC-NSHDSACASA-N 0 3 291.351 2.256 20 5 CEBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000776580328 647074004 /nfs/dbraw/zinc/07/40/04/647074004.db2.gz UMKVVHZSUGRJLJ-GJZGRUSLSA-N 0 3 294.351 2.129 20 5 CEBDHN COC(=O)[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000792200378 648624933 /nfs/dbraw/zinc/62/49/33/648624933.db2.gz ICMUOKOOQIWFSI-JQWIXIFHSA-N 0 3 278.308 2.026 20 5 CEBDHN CC(COC(=O)/C=C\CCc1ccccc1)[N+](=O)[O-] ZINC000870378446 648790393 /nfs/dbraw/zinc/79/03/93/648790393.db2.gz WVWIIJBNRZVDGS-XTOZHPGHSA-N 0 3 263.293 2.384 20 5 CEBDHN CC(COC(=O)[C@H]1Cc2ccc(Cl)cc21)[N+](=O)[O-] ZINC000870378415 648790533 /nfs/dbraw/zinc/79/05/33/648790533.db2.gz WPAVJCHNPOZYPA-HQJQHLMTSA-N 0 3 269.684 2.188 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCO ZINC000872016514 649242262 /nfs/dbraw/zinc/24/22/62/649242262.db2.gz KKXFLHXOSPBAIG-VIFPVBQESA-N 0 3 270.354 2.350 20 5 CEBDHN C[C@H](NC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027247 649245009 /nfs/dbraw/zinc/24/50/09/649245009.db2.gz KOTFCNAHUBQNKW-UWVGGRQHSA-N 0 3 268.288 2.421 20 5 CEBDHN C[C@@H](N[C@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129541 649287825 /nfs/dbraw/zinc/28/78/25/649287825.db2.gz KYRCECLEBXAOLL-SCVCMEIPSA-N 0 3 250.298 2.423 20 5 CEBDHN CO[C@@H]1COCC[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1C ZINC000880429191 651439018 /nfs/dbraw/zinc/43/90/18/651439018.db2.gz UYVLEZYCBCIDRN-HUUCEWRRSA-N 0 3 294.351 2.139 20 5 CEBDHN COC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883200304 652398008 /nfs/dbraw/zinc/39/80/08/652398008.db2.gz FYMKSIFIMCBTDS-ZIAGYGMSSA-N 0 3 294.351 2.126 20 5 CEBDHN C[C@H](NCCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177071 815022468 /nfs/dbraw/zinc/02/24/68/815022468.db2.gz XKPMIMCAKNQVAL-LBPRGKRZSA-N 0 3 291.351 2.258 20 5 CEBDHN Cc1cc(C(=O)NC[C@@H]2CCCCN2C)cc([N+](=O)[O-])c1 ZINC001120726147 815263337 /nfs/dbraw/zinc/26/33/37/815263337.db2.gz BPGLAUHQGPGHPU-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H](N[C@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896483 809999880 /nfs/dbraw/zinc/99/98/80/809999880.db2.gz BGDJOGJQVANBGR-SCVCMEIPSA-N 0 3 250.298 2.280 20 5 CEBDHN Cc1ccc(F)c(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168977837 811306379 /nfs/dbraw/zinc/30/63/79/811306379.db2.gz MMXBAJZNTJFOEP-WDEREUQCSA-N 0 3 267.304 2.064 20 5 CEBDHN Cc1ccc(F)c(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168977834 811306982 /nfs/dbraw/zinc/30/69/82/811306982.db2.gz MMXBAJZNTJFOEP-GHMZBOCLSA-N 0 3 267.304 2.064 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC001168960015 811313627 /nfs/dbraw/zinc/31/36/27/811313627.db2.gz YZHYFTSMIRKHLW-UWVGGRQHSA-N 0 3 270.279 2.500 20 5 CEBDHN Cc1ccccc1C1(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)COC1 ZINC001168994123 811325628 /nfs/dbraw/zinc/32/56/28/811325628.db2.gz PKEIHFUZTIMYAK-ZIAGYGMSSA-N 0 3 290.363 2.256 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc([O-])cc2F)C1 ZINC001168988123 811337389 /nfs/dbraw/zinc/33/73/89/811337389.db2.gz OBCFQVWZWZABNB-KOLCDFICSA-N 0 3 268.288 2.066 20 5 CEBDHN C[C@H](N)c1ccn(-c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001169228313 811441035 /nfs/dbraw/zinc/44/10/35/811441035.db2.gz OJVBWMXUBNCLIM-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN CN1CCC[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@@H]21 ZINC001157266731 812064357 /nfs/dbraw/zinc/06/43/57/812064357.db2.gz WJPSCQFUQACBRC-KOLCDFICSA-N 0 3 296.758 2.174 20 5 CEBDHN CCCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123573009 815533270 /nfs/dbraw/zinc/53/32/70/815533270.db2.gz ALJSDUJCAJMWFQ-UHFFFAOYSA-N 0 3 293.367 2.381 20 5 CEBDHN CCN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CN(C)C1 ZINC001173232630 815632157 /nfs/dbraw/zinc/63/21/57/815632157.db2.gz RXYSZGSSSBIHEO-LBPRGKRZSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]12CCOC2 ZINC001173233377 815633002 /nfs/dbraw/zinc/63/30/02/815633002.db2.gz VZAHLRRYSDHCTD-WFASDCNBSA-N 0 3 276.336 2.391 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC(C)(C)C ZINC000449070755 282088096 /nfs/dbraw/zinc/08/80/96/282088096.db2.gz FIGFTLWULTWDRI-NSHDSACASA-N 0 3 293.367 2.030 20 5 CEBDHN CCC[C@@](C)(N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766569 361933223 /nfs/dbraw/zinc/93/32/23/361933223.db2.gz JALXYDDMDIHGNN-QMTHXVAHSA-N 0 3 279.340 2.290 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449426087 282231421 /nfs/dbraw/zinc/23/14/21/282231421.db2.gz QRPOVEUCWRRYMF-KBPBESRZSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2COC[C@@H]2C1 ZINC000601973366 346946771 /nfs/dbraw/zinc/94/67/71/346946771.db2.gz LQXYMBWESGTSFV-RTXFEEFZSA-N 0 3 262.309 2.234 20 5 CEBDHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000602027165 346964167 /nfs/dbraw/zinc/96/41/67/346964167.db2.gz DYQSTPUNFSSSFO-HIFRSBDPSA-N 0 3 294.351 2.044 20 5 CEBDHN COC[C@](C)(O)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000069912161 343792548 /nfs/dbraw/zinc/79/25/48/343792548.db2.gz MXLMBTXIHBNITA-OAHLLOKOSA-N 0 3 296.367 2.205 20 5 CEBDHN CC(C)c1ccc(CNC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000076759575 343897636 /nfs/dbraw/zinc/89/76/36/343897636.db2.gz RECVJDBMSOJGRK-LBPRGKRZSA-N 0 3 291.351 2.086 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000077656688 343928394 /nfs/dbraw/zinc/92/83/94/343928394.db2.gz IBIDOJNIKXBASE-LLVKDONJSA-N 0 3 264.329 2.134 20 5 CEBDHN Cc1ccc(CN2CCN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000093457276 344224354 /nfs/dbraw/zinc/22/43/54/344224354.db2.gz WQXLZAWIDWLDAP-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCN(C)C ZINC000092224267 344181149 /nfs/dbraw/zinc/18/11/49/344181149.db2.gz HOHVLJIMICRPPW-UHFFFAOYSA-N 0 3 293.367 2.154 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000092672343 344199083 /nfs/dbraw/zinc/19/90/83/344199083.db2.gz TYEQQQIPUIUPEE-WDEREUQCSA-N 0 3 276.340 2.335 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCC[C@H](C)C2)n1 ZINC000121382479 344302727 /nfs/dbraw/zinc/30/27/27/344302727.db2.gz YEDOBNMGLROUKF-NSHDSACASA-N 0 3 278.356 2.442 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2CO)cc1 ZINC000157017521 344444844 /nfs/dbraw/zinc/44/48/44/344444844.db2.gz IQGFPABOIWRYGC-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN CCc1nn(C)cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000157897899 344448486 /nfs/dbraw/zinc/44/84/86/344448486.db2.gz QMVZUJVQDPBJER-UHFFFAOYSA-N 0 3 288.351 2.223 20 5 CEBDHN CCO[C@@H]1COC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449719959 282341477 /nfs/dbraw/zinc/34/14/77/282341477.db2.gz RPBCBFJNBRQSAZ-RLWBPUTGSA-N 0 3 292.335 2.002 20 5 CEBDHN Cc1nc(N[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000227331343 344552330 /nfs/dbraw/zinc/55/23/30/344552330.db2.gz JKZZDQAHGAOBAI-GXSJLCMTSA-N 0 3 264.329 2.193 20 5 CEBDHN CO[C@@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000050370361 362416797 /nfs/dbraw/zinc/41/67/97/362416797.db2.gz JYIOGOHQQYSEBJ-CHWSQXEVSA-N 0 3 250.298 2.252 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC1(CO)CCCCC1 ZINC000053096244 362481788 /nfs/dbraw/zinc/48/17/88/362481788.db2.gz OQAQOGQVHXPJCB-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CN2CCC1CC2 ZINC000315293189 344747881 /nfs/dbraw/zinc/74/78/81/344747881.db2.gz JGZKDYMKDLODNT-HNNXBMFYSA-N 0 3 293.342 2.260 20 5 CEBDHN Cc1ccc(CN2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052501 345111270 /nfs/dbraw/zinc/11/12/70/345111270.db2.gz DAPSLQRBYKQYSL-ZFWWWQNUSA-N 0 3 275.352 2.039 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000591146291 345224268 /nfs/dbraw/zinc/22/42/68/345224268.db2.gz XTOAYNXYYWICIX-JTQLQIEISA-N 0 3 280.303 2.025 20 5 CEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591160944 345226662 /nfs/dbraw/zinc/22/66/62/345226662.db2.gz MVDCCNUCAIRBQX-CMPLNLGQSA-N 0 3 294.330 2.192 20 5 CEBDHN CC[C@@H](C)C[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374394 345346781 /nfs/dbraw/zinc/34/67/81/345346781.db2.gz DTJSUWNEFWYGCG-DGCLKSJQSA-N 0 3 296.367 2.490 20 5 CEBDHN CC[C@H](C)C[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000592374443 345347547 /nfs/dbraw/zinc/34/75/47/345347547.db2.gz GYVWVTIMGJUYEM-WCQYABFASA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@H](C)C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000592375776 345347622 /nfs/dbraw/zinc/34/76/22/345347622.db2.gz ZSUKGBFLFLITKS-AAEUAGOBSA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@H](NCCc1cn(C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000592392887 345349536 /nfs/dbraw/zinc/34/95/36/345349536.db2.gz CJWZWWYBODDBBJ-AWEZNQCLSA-N 0 3 289.339 2.007 20 5 CEBDHN CCC[C@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047781 345428709 /nfs/dbraw/zinc/42/87/09/345428709.db2.gz DSIQYFNENDZLJU-WCQYABFASA-N 0 3 296.367 2.490 20 5 CEBDHN COC[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492691 345637297 /nfs/dbraw/zinc/63/72/97/345637297.db2.gz YCXLFVCFMKOCGY-JOYOIKCWSA-N 0 3 250.298 2.207 20 5 CEBDHN O=[N+]([O-])c1ccccc1CCN[C@@H]1CCCn2ccnc21 ZINC000594496893 345638325 /nfs/dbraw/zinc/63/83/25/345638325.db2.gz ZCWYGMRPQRFJTQ-CYBMUJFWSA-N 0 3 286.335 2.459 20 5 CEBDHN CC1(C)C[C@@H](NC/C=C\CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071655 345739300 /nfs/dbraw/zinc/73/93/00/345739300.db2.gz PSILMJXAOMJVOP-VQTKUKTRSA-N 0 3 276.336 2.455 20 5 CEBDHN CO[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594950982 345714500 /nfs/dbraw/zinc/71/45/00/345714500.db2.gz LQZICFUELVKVRY-DZGCQCFKSA-N 0 3 294.351 2.044 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCC2)c(Cl)c1 ZINC000594956611 345715706 /nfs/dbraw/zinc/71/57/06/345715706.db2.gz LUOMFQJVEQSTIL-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1ccc(CN[C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000594957546 345716392 /nfs/dbraw/zinc/71/63/92/345716392.db2.gz SNDJIEFQPBEHCC-CYBMUJFWSA-N 0 3 264.325 2.154 20 5 CEBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000184648468 539483799 /nfs/dbraw/zinc/48/37/99/539483799.db2.gz UJCZKHXATQUNGA-JTQLQIEISA-N 0 3 291.351 2.362 20 5 CEBDHN Cc1ccc([C@H](C)NC/C=C\CO)cc1[N+](=O)[O-] ZINC000595066848 345738507 /nfs/dbraw/zinc/73/85/07/345738507.db2.gz FOIZDEAIMBWDFX-BYCRGOAPSA-N 0 3 250.298 2.102 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)C1CCCC1 ZINC000595487972 345793769 /nfs/dbraw/zinc/79/37/69/345793769.db2.gz ADJOYIKCXVUNPF-CYBMUJFWSA-N 0 3 282.315 2.375 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC1=CCCOC1 ZINC000595752491 345866937 /nfs/dbraw/zinc/86/69/37/345866937.db2.gz KUGILNQDVCUQEX-UHFFFAOYSA-N 0 3 292.335 2.252 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596128117 345946263 /nfs/dbraw/zinc/94/62/63/345946263.db2.gz DVUAFLPBFOHUFG-SNVBAGLBSA-N 0 3 298.774 2.421 20 5 CEBDHN CC(C)(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000596336323 346002562 /nfs/dbraw/zinc/00/25/62/346002562.db2.gz NXMMTFGYWXNYLR-MRVPVSSYSA-N 0 3 270.358 2.336 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@@H](C)CCO ZINC000295122800 199356429 /nfs/dbraw/zinc/35/64/29/199356429.db2.gz NMWODHPCEGVNOM-GFCCVEGCSA-N 0 3 296.367 2.492 20 5 CEBDHN CN(CC1CN(C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000596452726 346027732 /nfs/dbraw/zinc/02/77/32/346027732.db2.gz FXTANBPDTHFQIM-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN COc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053091 346120903 /nfs/dbraw/zinc/12/09/03/346120903.db2.gz PCBWWRLSSFXNKP-DOMZBBRYSA-N 0 3 292.335 2.261 20 5 CEBDHN Cc1ccc(CN(C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000597254838 346162781 /nfs/dbraw/zinc/16/27/81/346162781.db2.gz MGNPASIGSOEIRN-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN CC[C@H](NCCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000061375774 362678366 /nfs/dbraw/zinc/67/83/66/362678366.db2.gz CLPQAKDMQONISU-HNNXBMFYSA-N 0 3 295.383 2.214 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCc1nccs1 ZINC000060942194 362672788 /nfs/dbraw/zinc/67/27/88/362672788.db2.gz QWUYQVQMDMUUEU-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1N(C)C ZINC000270688333 190772960 /nfs/dbraw/zinc/77/29/60/190772960.db2.gz WWHWBTSIBCTDNL-KBPBESRZSA-N 0 3 295.408 2.072 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676749 346398370 /nfs/dbraw/zinc/39/83/70/346398370.db2.gz KEFWSCZSXZKNTM-BXUZGUMPSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598645328 346391431 /nfs/dbraw/zinc/39/14/31/346391431.db2.gz GUNRDPLYBUANNU-WCQYABFASA-N 0 3 264.325 2.045 20 5 CEBDHN CC[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066529 346454871 /nfs/dbraw/zinc/45/48/71/346454871.db2.gz RRYZWNXMKWQNSM-ZNMIVQPWSA-N 0 3 294.351 2.175 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C[C@@H](O)C1 ZINC000599082867 346457429 /nfs/dbraw/zinc/45/74/29/346457429.db2.gz VGSWACKJDLVLII-FOGDFJRCSA-N 0 3 280.324 2.025 20 5 CEBDHN Cc1c(CN2C[C@@H]3CCC[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000599639737 346551023 /nfs/dbraw/zinc/55/10/23/346551023.db2.gz OCKBRUGBFSRMSW-GOEBONIOSA-N 0 3 290.363 2.498 20 5 CEBDHN Cc1ccc(CNCC[C@H](C)[S@](C)=O)cc1[N+](=O)[O-] ZINC000129344890 365849345 /nfs/dbraw/zinc/84/93/45/365849345.db2.gz ODAUPDBISQNRGI-JEOXALJRSA-N 0 3 284.381 2.150 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCC[C@H](O)C(F)F ZINC000601147534 346769136 /nfs/dbraw/zinc/76/91/36/346769136.db2.gz QWYQOUHJJUVJKH-FHMRSRPSSA-N 0 3 286.278 2.214 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](N2CCCC2)C1 ZINC000601105630 346754168 /nfs/dbraw/zinc/75/41/68/346754168.db2.gz JRHSJHFKTCRWSC-GFCCVEGCSA-N 0 3 294.330 2.194 20 5 CEBDHN CC(C)(C)N1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601192744 346782583 /nfs/dbraw/zinc/78/25/83/346782583.db2.gz ZWRPTQUJPSDLME-JTQLQIEISA-N 0 3 282.319 2.414 20 5 CEBDHN COc1cccnc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602681066 347142081 /nfs/dbraw/zinc/14/20/81/347142081.db2.gz JCDIGNJQAMTATM-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cnccc1C ZINC000602808724 347207985 /nfs/dbraw/zinc/20/79/85/347207985.db2.gz ZAWXQHWFNMRDRA-NSHDSACASA-N 0 3 289.339 2.154 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000602752775 347185886 /nfs/dbraw/zinc/18/58/86/347185886.db2.gz UJMSLOVXUOKAEL-OAHLLOKOSA-N 0 3 275.352 2.121 20 5 CEBDHN CC[C@H](NCc1cn(C)nc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000602845194 347222561 /nfs/dbraw/zinc/22/25/61/347222561.db2.gz GEXRLWVVNKRZCY-QWRGUYRKSA-N 0 3 266.345 2.243 20 5 CEBDHN CC[C@H](N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603218948 347311764 /nfs/dbraw/zinc/31/17/64/347311764.db2.gz OGJMYPVVEUEPDS-KOLCDFICSA-N 0 3 275.312 2.205 20 5 CEBDHN O=[N+]([O-])c1ncccc1N1CCC[C@H](N2CCCC2)C1 ZINC000603865769 347393458 /nfs/dbraw/zinc/39/34/58/347393458.db2.gz PNLXAKFBGCAQTE-LBPRGKRZSA-N 0 3 276.340 2.054 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)CN(C)C ZINC000459555981 290177774 /nfs/dbraw/zinc/17/77/74/290177774.db2.gz HNXMIGADJKLTCX-UHFFFAOYSA-N 0 3 281.356 2.033 20 5 CEBDHN C[C@H](NCCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000610538831 347690455 /nfs/dbraw/zinc/69/04/55/347690455.db2.gz GUOZHSFWUYTPHZ-QWHCGFSZSA-N 0 3 294.351 2.299 20 5 CEBDHN C[C@@H](NCc1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000611383710 347771375 /nfs/dbraw/zinc/77/13/75/347771375.db2.gz OKYZLNBQJSVTGY-LLVKDONJSA-N 0 3 287.319 2.144 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC=CCC1 ZINC000611517187 347789643 /nfs/dbraw/zinc/78/96/43/347789643.db2.gz GXDOLAYXBHBUNJ-UHFFFAOYSA-N 0 3 289.335 2.494 20 5 CEBDHN CC[C@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011376 179378874 /nfs/dbraw/zinc/37/88/74/179378874.db2.gz QXYKBWAEJGPLSD-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN COC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273383051 192134321 /nfs/dbraw/zinc/13/43/21/192134321.db2.gz CGQFBTVMUVXENE-LBPRGKRZSA-N 0 3 264.325 2.372 20 5 CEBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000339574589 215250848 /nfs/dbraw/zinc/25/08/48/215250848.db2.gz PPJWYQUSSOVVOJ-MNOVXSKESA-N 0 3 277.324 2.264 20 5 CEBDHN COC(=O)[C@H](C)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091985337 180297825 /nfs/dbraw/zinc/29/78/25/180297825.db2.gz AWCKBYWKSDPASK-WAFBPQNNSA-N 0 3 292.335 2.349 20 5 CEBDHN Cc1ccc(CNCCSCCCO)cc1[N+](=O)[O-] ZINC000105643659 186067452 /nfs/dbraw/zinc/06/74/52/186067452.db2.gz LSHTZEINZRRHIN-UHFFFAOYSA-N 0 3 284.381 2.108 20 5 CEBDHN Cc1cc(N[C@@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092209875 180344579 /nfs/dbraw/zinc/34/45/79/180344579.db2.gz XDIGRNZRKQEPCB-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN CC(C)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000106908647 186149610 /nfs/dbraw/zinc/14/96/10/186149610.db2.gz FITLRJFFFILWIW-BXUZGUMPSA-N 0 3 293.367 2.358 20 5 CEBDHN CC1(C2CC2)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352200258 219356978 /nfs/dbraw/zinc/35/69/78/219356978.db2.gz JZBGPAFKGDQUGQ-UHFFFAOYSA-N 0 3 278.356 2.303 20 5 CEBDHN C[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122317675 187026231 /nfs/dbraw/zinc/02/62/31/187026231.db2.gz MACBIAHMIHGWBW-AAEUAGOBSA-N 0 3 275.352 2.310 20 5 CEBDHN CC[C@H](NC[C@@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123177295 187076068 /nfs/dbraw/zinc/07/60/68/187076068.db2.gz CITZOJRSOVBZHX-GJZGRUSLSA-N 0 3 294.351 2.441 20 5 CEBDHN CC(C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291936145 198110034 /nfs/dbraw/zinc/11/00/34/198110034.db2.gz TVXHLJYDMHBMID-LSDHHAIUSA-N 0 3 294.351 2.128 20 5 CEBDHN CN(C)CCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292064686 198149880 /nfs/dbraw/zinc/14/98/80/198149880.db2.gz WTRKXBQAMQCYRT-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN CCN(C)C(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671762 191269160 /nfs/dbraw/zinc/26/91/60/191269160.db2.gz AZGGXBLPADPEGP-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN CCCCCN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154255153 188131859 /nfs/dbraw/zinc/13/18/59/188131859.db2.gz LGGHLWJGCRYYNW-HNNXBMFYSA-N 0 3 296.367 2.113 20 5 CEBDHN Cc1c(CN2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451624921 283055778 /nfs/dbraw/zinc/05/57/78/283055778.db2.gz BWBFOUONGJULOI-HIFRSBDPSA-N 0 3 275.352 2.039 20 5 CEBDHN CC[C@@H](NCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000271777427 191320560 /nfs/dbraw/zinc/32/05/60/191320560.db2.gz KENFWZTWNQARCE-CQSZACIVSA-N 0 3 291.351 2.258 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC000375051816 283078966 /nfs/dbraw/zinc/07/89/66/283078966.db2.gz XEEASZBEYQSVFR-QMTHXVAHSA-N 0 3 279.315 2.264 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@]3(CCSC3)C2)c1 ZINC000451963987 283153083 /nfs/dbraw/zinc/15/30/83/283153083.db2.gz IKPZSCJZWYEJMF-CYBMUJFWSA-N 0 3 296.396 2.010 20 5 CEBDHN CC[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273631597 192238382 /nfs/dbraw/zinc/23/83/82/192238382.db2.gz QMWYBOPSKRLFBE-LLVKDONJSA-N 0 3 279.344 2.061 20 5 CEBDHN CS[C@H]1CCCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134571311 366341538 /nfs/dbraw/zinc/34/15/38/366341538.db2.gz IIMZVNGBRHXTFX-NSHDSACASA-N 0 3 284.385 2.009 20 5 CEBDHN COCC[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000414487260 236383526 /nfs/dbraw/zinc/38/35/26/236383526.db2.gz VEOXZVOWIJFHED-SNVBAGLBSA-N 0 3 270.304 2.496 20 5 CEBDHN CC(C)(CO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000294829794 199201802 /nfs/dbraw/zinc/20/18/02/199201802.db2.gz PUYBSNZUDWCKGH-UHFFFAOYSA-N 0 3 252.314 2.093 20 5 CEBDHN CCC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000294913277 199245271 /nfs/dbraw/zinc/24/52/71/199245271.db2.gz BRRVERAZXVBGGR-ZDUSSCGKSA-N 0 3 266.341 2.230 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCCC2)c1 ZINC000138845616 366553651 /nfs/dbraw/zinc/55/36/51/366553651.db2.gz OTKOEQFUARJXMD-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN Cc1cc(C(=O)N(C)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000149697989 366590723 /nfs/dbraw/zinc/59/07/23/366590723.db2.gz QSOLBMZEBMOXDQ-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN CN1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000298000206 200315078 /nfs/dbraw/zinc/31/50/78/200315078.db2.gz XVJKJLSSAIOIRJ-UHFFFAOYSA-N 0 3 285.294 2.011 20 5 CEBDHN CCOC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081521837 363724701 /nfs/dbraw/zinc/72/47/01/363724701.db2.gz CBMVLYQOPBPEFD-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN C[C@H](CCCO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000088503554 363902769 /nfs/dbraw/zinc/90/27/69/363902769.db2.gz FMOIOYXFZWXNAC-SECBINFHSA-N 0 3 272.732 2.499 20 5 CEBDHN CC1(CNCc2ccc([N+](=O)[O-])cc2Cl)COC1 ZINC000094722194 364290673 /nfs/dbraw/zinc/29/06/73/364290673.db2.gz CZWSCLCZWORCTR-UHFFFAOYSA-N 0 3 270.716 2.374 20 5 CEBDHN COc1ccc(CNC[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094802023 364296544 /nfs/dbraw/zinc/29/65/44/364296544.db2.gz YRRUOFNQRVXAJT-CQSZACIVSA-N 0 3 280.324 2.262 20 5 CEBDHN COCC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112352440 364797644 /nfs/dbraw/zinc/79/76/44/364797644.db2.gz ZDDPYYDTPLUTLW-UHFFFAOYSA-N 0 3 294.351 2.332 20 5 CEBDHN CC[C@H](C)[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000112379444 364802794 /nfs/dbraw/zinc/80/27/94/364802794.db2.gz WINXGDGIGCXMPU-SMDDNHRTSA-N 0 3 266.341 2.482 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000115443684 365006019 /nfs/dbraw/zinc/00/60/19/365006019.db2.gz WHGASJSXOKKJJE-LBPRGKRZSA-N 0 3 291.351 2.009 20 5 CEBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000275460252 193045235 /nfs/dbraw/zinc/04/52/35/193045235.db2.gz NEXXKYIOIUNBMK-AWEZNQCLSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000275791674 193130288 /nfs/dbraw/zinc/13/02/88/193130288.db2.gz LDUQCPCIGCEDRA-LLVKDONJSA-N 0 3 293.367 2.398 20 5 CEBDHN C[C@H](O)C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000159252104 366894918 /nfs/dbraw/zinc/89/49/18/366894918.db2.gz XLQXAHUYEYZLAC-WCQYABFASA-N 0 3 264.325 2.330 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCCCC1 ZINC000159700389 366940020 /nfs/dbraw/zinc/94/00/20/366940020.db2.gz ZMWODSFANXAGPZ-UHFFFAOYSA-N 0 3 279.340 2.023 20 5 CEBDHN Cc1c([C@H](C)NCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000160618679 367022126 /nfs/dbraw/zinc/02/21/26/367022126.db2.gz KUZLTLQMVNETPD-JTQLQIEISA-N 0 3 252.314 2.325 20 5 CEBDHN CCCN1CCC[C@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000340861372 367063542 /nfs/dbraw/zinc/06/35/42/367063542.db2.gz ARTBFBYOEFTRQM-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCNc1ccc([N+](=O)[O-])cn1 ZINC000341100071 367172138 /nfs/dbraw/zinc/17/21/38/367172138.db2.gz KUEREHKJLOIJFP-RYUDHWBXSA-N 0 3 278.356 2.087 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172977817 367852198 /nfs/dbraw/zinc/85/21/98/367852198.db2.gz FNFLUCAHHYYSFJ-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000172856663 367830031 /nfs/dbraw/zinc/83/00/31/367830031.db2.gz UVWUQKRKSUHTLB-GHMZBOCLSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H](NCCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173380755 367903826 /nfs/dbraw/zinc/90/38/26/367903826.db2.gz AIEOGSGDWIDEKW-NSHDSACASA-N 0 3 293.323 2.088 20 5 CEBDHN Cc1ccc(NC(=O)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174358182 368015045 /nfs/dbraw/zinc/01/50/45/368015045.db2.gz BWDOJSUHDUSTST-UHFFFAOYSA-N 0 3 277.324 2.184 20 5 CEBDHN COc1cccc(N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000185425238 368806213 /nfs/dbraw/zinc/80/62/13/368806213.db2.gz QNNNIVZPRHKOOG-LBPRGKRZSA-N 0 3 293.367 2.381 20 5 CEBDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185678340 368842305 /nfs/dbraw/zinc/84/23/05/368842305.db2.gz SHXZWVQWSUDYRK-MFKMUULPSA-N 0 3 291.351 2.314 20 5 CEBDHN C/C=C/C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000185810094 368864827 /nfs/dbraw/zinc/86/48/27/368864827.db2.gz LWPZDMRCHHUOAV-JDGPPOGSSA-N 0 3 250.298 2.012 20 5 CEBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCN(C)C ZINC000276475372 193346304 /nfs/dbraw/zinc/34/63/04/193346304.db2.gz ZNBPXWQNUIBJLB-UHFFFAOYSA-N 0 3 294.355 2.237 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCCC[C@H]1C ZINC000192498267 369820134 /nfs/dbraw/zinc/82/01/34/369820134.db2.gz BCQLRCMVNUZZGZ-LLVKDONJSA-N 0 3 295.387 2.406 20 5 CEBDHN COc1cc(CN2CCN(C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352767878 369875395 /nfs/dbraw/zinc/87/53/95/369875395.db2.gz DAMJBCMGRPSWRN-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000353122653 370026355 /nfs/dbraw/zinc/02/63/55/370026355.db2.gz VQINDJJRVKYDFI-WCBMZHEXSA-N 0 3 266.297 2.197 20 5 CEBDHN C[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000194360469 370029163 /nfs/dbraw/zinc/02/91/63/370029163.db2.gz NPQZZQFGHRRDRX-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN C=Cn1cc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000194350882 370029629 /nfs/dbraw/zinc/02/96/29/370029629.db2.gz AXVNUXNFLHIVFP-UHFFFAOYSA-N 0 3 272.308 2.224 20 5 CEBDHN CC(C)[C@@H]1CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000353028189 369990133 /nfs/dbraw/zinc/99/01/33/369990133.db2.gz PJDOAYCDGBBGBG-ZFWWWQNUSA-N 0 3 294.351 2.065 20 5 CEBDHN COc1ccc(CNCCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000353208754 370073426 /nfs/dbraw/zinc/07/34/26/370073426.db2.gz LGBKUOPUVXJKFV-UHFFFAOYSA-N 0 3 294.229 2.229 20 5 CEBDHN CN1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000221258359 370240087 /nfs/dbraw/zinc/24/00/87/370240087.db2.gz IJUGBFVGLGACHZ-JTQLQIEISA-N 0 3 253.277 2.240 20 5 CEBDHN CCc1cccc(F)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000354419992 370356211 /nfs/dbraw/zinc/35/62/11/370356211.db2.gz RJWQVEINXKHXAY-UHFFFAOYSA-N 0 3 292.314 2.283 20 5 CEBDHN CN1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889684 370388007 /nfs/dbraw/zinc/38/80/07/370388007.db2.gz JHJQHAIWZZOSDP-QMMMGPOBSA-N 0 3 271.267 2.237 20 5 CEBDHN CCC[C@H](N[C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233358687 370518091 /nfs/dbraw/zinc/51/80/91/370518091.db2.gz LFISWJAEKICBCP-JSGCOSHPSA-N 0 3 282.340 2.033 20 5 CEBDHN CCCC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856891 370496242 /nfs/dbraw/zinc/49/62/42/370496242.db2.gz BCUSXCDFTJLUGV-GFCCVEGCSA-N 0 3 279.340 2.037 20 5 CEBDHN C[C@@H](CN(C)C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235118916 370556995 /nfs/dbraw/zinc/55/69/95/370556995.db2.gz RXOLZJATEXGYCW-ZETCQYMHSA-N 0 3 259.256 2.235 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1F ZINC000236247947 370585912 /nfs/dbraw/zinc/58/59/12/370585912.db2.gz MVICCQZXZBTJHC-JSGCOSHPSA-N 0 3 280.299 2.391 20 5 CEBDHN CCC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000236797214 370630497 /nfs/dbraw/zinc/63/04/97/370630497.db2.gz UTWVTGUOAQJSQT-AWEZNQCLSA-N 0 3 293.367 2.459 20 5 CEBDHN CSCC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358321136 371012797 /nfs/dbraw/zinc/01/27/97/371012797.db2.gz QQPAKLOURNRPBF-PWSUYJOCSA-N 0 3 284.381 2.359 20 5 CEBDHN C[C@H](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)[S@](C)=O ZINC000252733312 371474912 /nfs/dbraw/zinc/47/49/12/371474912.db2.gz YUKUKGCSOGWEBT-FDMGOTLNSA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@@H]1C[C@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000344190927 217090636 /nfs/dbraw/zinc/09/06/36/217090636.db2.gz XXQSTICJXUQCBO-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000362027766 372178829 /nfs/dbraw/zinc/17/88/29/372178829.db2.gz OKTYNALTJHEVJA-DZGCQCFKSA-N 0 3 294.351 2.187 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CSCCN(C)C ZINC000362339299 372320205 /nfs/dbraw/zinc/32/02/05/372320205.db2.gz JZCIJWBBVPGLFA-UHFFFAOYSA-N 0 3 270.354 2.398 20 5 CEBDHN COc1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000270170658 372687379 /nfs/dbraw/zinc/68/73/79/372687379.db2.gz UHVCLXQWJZVKEU-TZMCWYRMSA-N 0 3 294.351 2.196 20 5 CEBDHN CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270651145 372883588 /nfs/dbraw/zinc/88/35/88/372883588.db2.gz LVIUXZFMGDGKRW-KBPBESRZSA-N 0 3 295.408 2.072 20 5 CEBDHN CCN(C)C(=O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344788494 217312503 /nfs/dbraw/zinc/31/25/03/217312503.db2.gz FUVKMGVXBNMJTJ-XYOKQWHBSA-N 0 3 291.351 2.066 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)C[S@@](C)=O ZINC000344816574 217320262 /nfs/dbraw/zinc/32/02/62/217320262.db2.gz RULBQXPSAHZQHV-JPHGTCLYSA-N 0 3 296.392 2.355 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)C[S@](C)=O ZINC000344816571 217320338 /nfs/dbraw/zinc/32/03/38/217320338.db2.gz RULBQXPSAHZQHV-DDFUAVOFSA-N 0 3 296.392 2.355 20 5 CEBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN2CCC1CC2 ZINC000372764723 374193388 /nfs/dbraw/zinc/19/33/88/374193388.db2.gz HRLMCBQEEMFTDG-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN CN1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276579956 374234319 /nfs/dbraw/zinc/23/43/19/374234319.db2.gz ILKHESISKRUDRE-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CCOc1cc(CN(CCO)C2CCC2)ccc1[N+](=O)[O-] ZINC000276977871 374367592 /nfs/dbraw/zinc/36/75/92/374367592.db2.gz XXBGFMNIXMAIAE-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCCN2CCCOCC2)cc1 ZINC000374028338 374471443 /nfs/dbraw/zinc/47/14/43/374471443.db2.gz YZIMIRDNOMVNFG-UHFFFAOYSA-N 0 3 280.324 2.086 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CCN(C)C[C@H]2C)n1 ZINC000408168913 375421051 /nfs/dbraw/zinc/42/10/51/375421051.db2.gz JXHTZPNUXUOQQS-DGCLKSJQSA-N 0 3 292.383 2.383 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CCN(C)C[C@@H]2C)n1 ZINC000408168912 375421761 /nfs/dbraw/zinc/42/17/61/375421761.db2.gz JXHTZPNUXUOQQS-AAEUAGOBSA-N 0 3 292.383 2.383 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnn(C)c1 ZINC000282400678 375476135 /nfs/dbraw/zinc/47/61/35/375476135.db2.gz HRWXQPYRWBRXQF-UHFFFAOYSA-N 0 3 274.324 2.003 20 5 CEBDHN C[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305725975 376457432 /nfs/dbraw/zinc/45/74/32/376457432.db2.gz LLODNUHAYJNBIG-SWLSCSKDSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O ZINC000305847278 376518707 /nfs/dbraw/zinc/51/87/07/376518707.db2.gz SXIRLVUEDYFAIZ-UHFFFAOYSA-N 0 3 282.340 2.196 20 5 CEBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000311780496 376687285 /nfs/dbraw/zinc/68/72/85/376687285.db2.gz XERREHBHLASGGO-ZDUSSCGKSA-N 0 3 268.288 2.393 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568203 377187781 /nfs/dbraw/zinc/18/77/81/377187781.db2.gz LQERCGQXUWHGKZ-RAIGVLPGSA-N 0 3 291.351 2.160 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@]1(C)CO ZINC000331021978 377243634 /nfs/dbraw/zinc/24/36/34/377243634.db2.gz SLZRYGOAOZFKIP-HUUCEWRRSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000332225581 377547060 /nfs/dbraw/zinc/54/70/60/377547060.db2.gz KKEFVGBBXUSXLP-KCQAQPDRSA-N 0 3 276.336 2.188 20 5 CEBDHN COC[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265734822 190202781 /nfs/dbraw/zinc/20/27/81/190202781.db2.gz AUIJLYYKVUDMAL-GFCCVEGCSA-N 0 3 250.298 2.063 20 5 CEBDHN COC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000265734824 190202785 /nfs/dbraw/zinc/20/27/85/190202785.db2.gz AUIJLYYKVUDMAL-LBPRGKRZSA-N 0 3 250.298 2.063 20 5 CEBDHN CCC[C@H](CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000293638871 377672819 /nfs/dbraw/zinc/67/28/19/377672819.db2.gz JONUNEQJPLNECA-CYBMUJFWSA-N 0 3 252.314 2.500 20 5 CEBDHN C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898795 377814768 /nfs/dbraw/zinc/81/47/68/377814768.db2.gz WIRMKSHULAULJT-GHMZBOCLSA-N 0 3 289.339 2.113 20 5 CEBDHN C[C@@H](O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438983442 377916892 /nfs/dbraw/zinc/91/68/92/377916892.db2.gz BXKOADCOPOYUIE-LLVKDONJSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCCC[C@@H]1C ZINC000443515064 378057756 /nfs/dbraw/zinc/05/77/56/378057756.db2.gz JDUGIPDOIHKPJX-UWVGGRQHSA-N 0 3 284.385 2.148 20 5 CEBDHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295427624 378152544 /nfs/dbraw/zinc/15/25/44/378152544.db2.gz ULNTZYNGQFOIQX-NSHDSACASA-N 0 3 279.340 2.112 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(N)=O)C1 ZINC000266936248 190291942 /nfs/dbraw/zinc/29/19/42/190291942.db2.gz OIZZDUWMKGVWNK-NWDGAFQWSA-N 0 3 291.351 2.243 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)/C=C\CN(C)C)cc1[N+](=O)[O-] ZINC000492072359 380439437 /nfs/dbraw/zinc/43/94/37/380439437.db2.gz IITXXJSIZJBNSB-FJOGCWAESA-N 0 3 291.351 2.198 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)/C=C/CN(C)C)cc1[N+](=O)[O-] ZINC000492072352 380439666 /nfs/dbraw/zinc/43/96/66/380439666.db2.gz IITXXJSIZJBNSB-BTDICHCPSA-N 0 3 291.351 2.198 20 5 CEBDHN CC[C@H](N[C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815914 195393468 /nfs/dbraw/zinc/39/34/68/195393468.db2.gz ZIFFGOWAAOCRQM-OCCSQVGLSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H](CC(N)=O)N[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316233 533497824 /nfs/dbraw/zinc/49/78/24/533497824.db2.gz UCNDRQGULFUBOM-IINYFYTJSA-N 0 3 291.351 2.216 20 5 CEBDHN O=[N+]([O-])c1cnc(NCCN2CCCCCC2)s1 ZINC000189683918 130008286 /nfs/dbraw/zinc/00/82/86/130008286.db2.gz YNHZUVIKRBHGQU-UHFFFAOYSA-N 0 3 270.358 2.339 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000237447310 131032535 /nfs/dbraw/zinc/03/25/35/131032535.db2.gz RIEQKILXVVNLMA-AAEUAGOBSA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1nn(C[C@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000413005814 394458841 /nfs/dbraw/zinc/45/88/41/394458841.db2.gz XARKBARXELWPIL-GFCCVEGCSA-N 0 3 266.345 2.363 20 5 CEBDHN Cc1ccc(CN2C[C@H](CO)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000421364417 394511514 /nfs/dbraw/zinc/51/15/14/394511514.db2.gz RZCGPXROGKXLFR-SMDDNHRTSA-N 0 3 278.352 2.354 20 5 CEBDHN C[C@H](O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000356949486 394659651 /nfs/dbraw/zinc/65/96/51/394659651.db2.gz SEWZVZGVDFHKLP-MDUKQBBOSA-N 0 3 276.336 2.311 20 5 CEBDHN COC[C@@H](NCc1csc([N+](=O)[O-])c1)C(C)C ZINC000086697687 394644547 /nfs/dbraw/zinc/64/45/47/394644547.db2.gz UZEPKLUDJAIHKF-SNVBAGLBSA-N 0 3 258.343 2.417 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CNCCC1(F)F ZINC000414995487 394841533 /nfs/dbraw/zinc/84/15/33/394841533.db2.gz FQCRRWQLTLXXMF-HSBHDXMMSA-N 0 3 297.305 2.195 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000128909573 394855751 /nfs/dbraw/zinc/85/57/51/394855751.db2.gz GXQUXVWJBNUAMW-LBPRGKRZSA-N 0 3 293.367 2.301 20 5 CEBDHN CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132098436 394924696 /nfs/dbraw/zinc/92/46/96/394924696.db2.gz ZLMFRXSVAPXVGZ-ZDUSSCGKSA-N 0 3 293.367 2.269 20 5 CEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335827 395020922 /nfs/dbraw/zinc/02/09/22/395020922.db2.gz LSRLQHPGIYIEBU-UWVGGRQHSA-N 0 3 282.369 2.114 20 5 CEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc21 ZINC000172718570 395106391 /nfs/dbraw/zinc/10/63/91/395106391.db2.gz ZEGREYGFZDGCPQ-HNNXBMFYSA-N 0 3 286.335 2.411 20 5 CEBDHN C[C@H](c1cccc(O)c1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176237943 395137758 /nfs/dbraw/zinc/13/77/58/395137758.db2.gz AXFBQABFSSWONG-LLVKDONJSA-N 0 3 290.323 2.190 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351925659 395240997 /nfs/dbraw/zinc/24/09/97/395240997.db2.gz FFRFCOCXYNIQBV-NEPJUHHUSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CC2)C[C@@H](C)C1 ZINC000294970795 395281823 /nfs/dbraw/zinc/28/18/23/395281823.db2.gz OICVCBRIYTUDJM-LLVKDONJSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1cc(CN(C)CCn2ccc([N+](=O)[O-])n2)ccc1F ZINC000444745878 395451494 /nfs/dbraw/zinc/45/14/94/395451494.db2.gz TXNMLAOJFDZGDL-UHFFFAOYSA-N 0 3 292.314 2.371 20 5 CEBDHN CC(C)(CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000193067238 395400522 /nfs/dbraw/zinc/40/05/22/395400522.db2.gz QECQJSDSJUAEMB-ZDUSSCGKSA-N 0 3 291.351 2.073 20 5 CEBDHN CCN(CCNC(=O)c1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC000194578281 395442455 /nfs/dbraw/zinc/44/24/55/395442455.db2.gz NIYRPUYGYBFGPH-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[C@H]1O ZINC000567890654 395539524 /nfs/dbraw/zinc/53/95/24/395539524.db2.gz QGNBQJNRVPSZCF-OASPWFOLSA-N 0 3 250.298 2.077 20 5 CEBDHN C[C@H](O)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228088981 153359767 /nfs/dbraw/zinc/35/97/67/153359767.db2.gz MOFUKNHLBDQGBQ-DCAQKATOSA-N 0 3 252.314 2.405 20 5 CEBDHN Cc1nc(N(C)[C@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268455332 154143145 /nfs/dbraw/zinc/14/31/45/154143145.db2.gz GSJCGHQFAMUTLV-JQWIXIFHSA-N 0 3 278.356 2.217 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCNCC1 ZINC000332361279 154221532 /nfs/dbraw/zinc/22/15/32/154221532.db2.gz TYJQRNUPRGLNKQ-UHFFFAOYSA-N 0 3 292.339 2.039 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC[C@H](O)C(F)(F)F)cs1 ZINC000349326137 154313724 /nfs/dbraw/zinc/31/37/24/154313724.db2.gz CXDHIYUKUKAWRQ-ZETCQYMHSA-N 0 3 284.259 2.059 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](CC(N)=O)C1 ZINC000367310023 156168311 /nfs/dbraw/zinc/16/83/11/156168311.db2.gz ZXLZUOJOZOFAEP-VXGBXAGGSA-N 0 3 291.351 2.162 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000020208256 171072723 /nfs/dbraw/zinc/07/27/23/171072723.db2.gz NRMVTNUCGFPDFY-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H](N[C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949768 196162726 /nfs/dbraw/zinc/16/27/26/196162726.db2.gz FCVSKAJIJKUKFY-PSASIEDQSA-N 0 3 267.354 2.333 20 5 CEBDHN CCC[C@@H](NC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601474 172289767 /nfs/dbraw/zinc/28/97/67/172289767.db2.gz WMLAQAPLLCPWDD-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CC(C)OCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285295001 196243142 /nfs/dbraw/zinc/24/31/42/196243142.db2.gz KQRPHOCKZMJCPT-UHFFFAOYSA-N 0 3 266.341 2.494 20 5 CEBDHN CC[C@H](NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060578 174071717 /nfs/dbraw/zinc/07/17/17/174071717.db2.gz YVHUJWXPCGHHNP-KBPBESRZSA-N 0 3 280.324 2.051 20 5 CEBDHN C[C@H](N[C@@H]1CCN(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000044685517 175231705 /nfs/dbraw/zinc/23/17/05/175231705.db2.gz IZRRMCSFMLSICC-WCQYABFASA-N 0 3 275.352 2.482 20 5 CEBDHN CCCNC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045072387 175301703 /nfs/dbraw/zinc/30/17/03/175301703.db2.gz PDDWAPKHCOBYAK-LBPRGKRZSA-N 0 3 293.367 2.470 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2CCO)c1 ZINC000078497896 177347648 /nfs/dbraw/zinc/34/76/48/177347648.db2.gz STCJPFYQSHXGNX-CYBMUJFWSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1c(CN2C[C@@H](O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000399253700 270368401 /nfs/dbraw/zinc/36/84/01/270368401.db2.gz NRCBFWIMNBPAST-MFKMUULPSA-N 0 3 264.325 2.248 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@H](O)CC)cc1[N+](=O)[O-] ZINC000421876048 270676766 /nfs/dbraw/zinc/67/67/66/270676766.db2.gz KLGXHUDCVXTLIB-ZYHUDNBSSA-N 0 3 282.340 2.415 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000430195900 271362076 /nfs/dbraw/zinc/36/20/76/271362076.db2.gz PFOPNRSSZPXSSZ-UHFFFAOYSA-N 0 3 282.340 2.196 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193142 271362152 /nfs/dbraw/zinc/36/21/52/271362152.db2.gz FKMHPDMQZWICND-OAHLLOKOSA-N 0 3 294.351 2.340 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)C(C)(C)O ZINC000430200536 271362291 /nfs/dbraw/zinc/36/22/91/271362291.db2.gz HFYUQHMYAIVUPV-UHFFFAOYSA-N 0 3 282.340 2.243 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C(C)(C)O ZINC000430225108 271364991 /nfs/dbraw/zinc/36/49/91/271364991.db2.gz WXUCKKNMBHYDLP-AWEZNQCLSA-N 0 3 294.351 2.339 20 5 CEBDHN CN(C)C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000270837204 273792776 /nfs/dbraw/zinc/79/27/76/273792776.db2.gz HETZPHCPDSYKQJ-UHFFFAOYSA-N 0 3 289.257 2.364 20 5 CEBDHN CC(C)[C@@H](CCO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000358794402 275668392 /nfs/dbraw/zinc/66/83/92/275668392.db2.gz ZKUXXTCIZKNFPU-GFCCVEGCSA-N 0 3 270.304 2.231 20 5 CEBDHN CCN1CCCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000274708461 276164934 /nfs/dbraw/zinc/16/49/34/276164934.db2.gz SQERETOECFDDSO-UHFFFAOYSA-N 0 3 279.340 2.135 20 5 CEBDHN COC[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719697 277564570 /nfs/dbraw/zinc/56/45/70/277564570.db2.gz MCIMRLUEBFQNFB-UKRRQHHQSA-N 0 3 294.351 2.223 20 5 CEBDHN C[C@@H](F)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000351731266 278302360 /nfs/dbraw/zinc/30/23/60/278302360.db2.gz UNEQNWDSWVDOTC-SECBINFHSA-N 0 3 253.277 2.096 20 5 CEBDHN C[C@@H](NCCN1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000223476610 278347402 /nfs/dbraw/zinc/34/74/02/278347402.db2.gz VRCAYHMDXOOMCN-GFCCVEGCSA-N 0 3 295.408 2.294 20 5 CEBDHN CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189311265 280148530 /nfs/dbraw/zinc/14/85/30/280148530.db2.gz JUUAMLDIIRQJDJ-FZMZJTMJSA-N 0 3 264.325 2.452 20 5 CEBDHN CN(C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000268098669 289211868 /nfs/dbraw/zinc/21/18/68/289211868.db2.gz BHBKMDMLWLSOPJ-LLVKDONJSA-N 0 3 294.311 2.033 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000459391412 290134343 /nfs/dbraw/zinc/13/43/43/290134343.db2.gz UVTOYIVAKJNKNZ-YPMHNXCESA-N 0 3 291.351 2.080 20 5 CEBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C2CCC2)CCC1 ZINC000459751173 290226453 /nfs/dbraw/zinc/22/64/53/290226453.db2.gz ABCHAQVZFNFTSQ-UHFFFAOYSA-N 0 3 264.329 2.141 20 5 CEBDHN C[C@@H](NCCCN1CCCC1=O)c1ccccc1[N+](=O)[O-] ZINC000540426725 298265305 /nfs/dbraw/zinc/26/53/05/298265305.db2.gz GLPCSFVEFOGUPA-GFCCVEGCSA-N 0 3 291.351 2.258 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCC1(O)CCC1 ZINC000565606838 313829910 /nfs/dbraw/zinc/82/99/10/313829910.db2.gz DTDQTIFGIMRFGN-CYBMUJFWSA-N 0 3 276.336 2.477 20 5 CEBDHN CSCC[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578668480 314505605 /nfs/dbraw/zinc/50/56/05/314505605.db2.gz DRNXINWKSIDXTK-MFKMUULPSA-N 0 3 296.392 2.286 20 5 CEBDHN Cc1nc([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412026895 534579598 /nfs/dbraw/zinc/57/95/98/534579598.db2.gz KHYPVHQLGOVGNN-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1n[nH]c([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412026895 534579605 /nfs/dbraw/zinc/57/96/05/534579605.db2.gz KHYPVHQLGOVGNN-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nnc([C@@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412026895 534579608 /nfs/dbraw/zinc/57/96/08/534579608.db2.gz KHYPVHQLGOVGNN-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000157247165 524908070 /nfs/dbraw/zinc/90/80/70/524908070.db2.gz GVGRYTWUNIZQAP-OLZOCXBDSA-N 0 3 291.351 2.178 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCn1ccnc1 ZINC000050443678 527332615 /nfs/dbraw/zinc/33/26/15/527332615.db2.gz NSXDIKAMCPQVTO-UHFFFAOYSA-N 0 3 280.715 2.235 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000366094443 527414313 /nfs/dbraw/zinc/41/43/13/527414313.db2.gz JKNMIOLBPQWOTD-AAEUAGOBSA-N 0 3 264.329 2.056 20 5 CEBDHN CC[C@@H](O)[C@@H](CC)NCc1csc([N+](=O)[O-])c1 ZINC000313155837 535815323 /nfs/dbraw/zinc/81/53/23/535815323.db2.gz NSUBUTWXHWDRJT-NXEZZACHSA-N 0 3 258.343 2.295 20 5 CEBDHN COC[C@H](CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715807 536854968 /nfs/dbraw/zinc/85/49/68/536854968.db2.gz RWPYRSGTSVKYQQ-AAEUAGOBSA-N 0 3 282.340 2.215 20 5 CEBDHN Cc1cnc(NCCN2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000742429518 575021632 /nfs/dbraw/zinc/02/16/32/575021632.db2.gz FFUCWPQMRZEOKI-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN C[C@H](Cc1cnccn1)NCc1csc([N+](=O)[O-])c1 ZINC000748820124 575197954 /nfs/dbraw/zinc/19/79/54/575197954.db2.gz DQEXTIVGASKBSR-SECBINFHSA-N 0 3 278.337 2.167 20 5 CEBDHN CC(COC(=O)[C@@H](C)CCOc1ccccc1)[N+](=O)[O-] ZINC000813106749 623029199 /nfs/dbraw/zinc/02/91/99/623029199.db2.gz GMHULUWHONHIBU-RYUDHWBXSA-N 0 3 281.308 2.300 20 5 CEBDHN Cc1nn(C(C)(C)C)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114266 623075585 /nfs/dbraw/zinc/07/55/85/623075585.db2.gz OOLSMEGIYIMERM-QMMMGPOBSA-N 0 3 283.328 2.077 20 5 CEBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000934194237 624309047 /nfs/dbraw/zinc/30/90/47/624309047.db2.gz BBEBIYISAFRADS-JOYOIKCWSA-N 0 3 293.348 2.436 20 5 CEBDHN CO[C@@H]1CCOC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000897891324 631963783 /nfs/dbraw/zinc/96/37/83/631963783.db2.gz AYDPBFLLMCEVJD-ZZEYUXRUSA-N 0 3 292.335 2.002 20 5 CEBDHN CCn1cc(CC(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813100549 632620854 /nfs/dbraw/zinc/62/08/54/632620854.db2.gz UEDJIDZQCUOKMA-NSHDSACASA-N 0 3 290.319 2.412 20 5 CEBDHN CC[C@@H]1CCCC[C@@H]1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813099960 632620953 /nfs/dbraw/zinc/62/09/53/632620953.db2.gz IIDVEXHMOYQCIR-UTUOFQBUSA-N 0 3 273.329 2.180 20 5 CEBDHN CCN(CC)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813103528 632621891 /nfs/dbraw/zinc/62/18/91/632621891.db2.gz CYFVOKQUMMKIMA-OCCSQVGLSA-N 0 3 294.351 2.278 20 5 CEBDHN CC(COC(=O)C1(c2ccc(F)cc2)CC1)[N+](=O)[O-] ZINC000813104719 632623069 /nfs/dbraw/zinc/62/30/69/632623069.db2.gz QOBCWPHYJDJPBJ-SECBINFHSA-N 0 3 267.256 2.066 20 5 CEBDHN COc1ccc(S[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105734 632623859 /nfs/dbraw/zinc/62/38/59/632623859.db2.gz SWSUQDVFJVDUTM-UWVGGRQHSA-N 0 3 299.348 2.384 20 5 CEBDHN Cc1cccc(C2(C(=O)OCC(C)[N+](=O)[O-])CC2)c1 ZINC000813106328 632623865 /nfs/dbraw/zinc/62/38/65/632623865.db2.gz AVQLFCSZKXPGMK-LLVKDONJSA-N 0 3 263.293 2.235 20 5 CEBDHN CC(COC(=O)[C@H](C)Cn1ccc2ccccc21)[N+](=O)[O-] ZINC000813105416 632623932 /nfs/dbraw/zinc/62/39/32/632623932.db2.gz ZFIWHRJRPJXCME-NEPJUHHUSA-N 0 3 290.319 2.486 20 5 CEBDHN CC(COC(=O)C1(c2cccnc2)CCCC1)[N+](=O)[O-] ZINC000813111059 632627530 /nfs/dbraw/zinc/62/75/30/632627530.db2.gz BLAYJFZJRYYFRY-NSHDSACASA-N 0 3 278.308 2.102 20 5 CEBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112852 632628704 /nfs/dbraw/zinc/62/87/04/632628704.db2.gz UWXRGBCDSOFDHO-JQWIXIFHSA-N 0 3 251.282 2.389 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2ccc(F)cc2)CCC1 ZINC000905080739 635797710 /nfs/dbraw/zinc/79/77/10/635797710.db2.gz MOUSWRYRFSMZQU-UHFFFAOYSA-N 0 3 252.289 2.114 20 5 CEBDHN COC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827812329 636431341 /nfs/dbraw/zinc/43/13/41/636431341.db2.gz JKKQWFXZJYMPJR-MGCOHNPYSA-N 0 3 298.726 2.289 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2cnc([C@H]3CCCN3)nc2)cc1 ZINC000906173156 636634906 /nfs/dbraw/zinc/63/49/06/636634906.db2.gz ZYPPUROSIFPVGE-CYBMUJFWSA-N 0 3 270.292 2.476 20 5 CEBDHN CC[C@@H](C)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000829251474 636811846 /nfs/dbraw/zinc/81/18/46/636811846.db2.gz CEKAROUEQCGCMY-LLVKDONJSA-N 0 3 278.356 2.098 20 5 CEBDHN COC[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832616052 637621242 /nfs/dbraw/zinc/62/12/42/637621242.db2.gz QAHPKVLXAJKKIB-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN CCSc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835455841 638263173 /nfs/dbraw/zinc/26/31/73/638263173.db2.gz PUPOGUBZRWYUAB-QMMMGPOBSA-N 0 3 270.310 2.016 20 5 CEBDHN CC[C@@H](C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182932 638600056 /nfs/dbraw/zinc/60/00/56/638600056.db2.gz LQDXTXMXCPGTGR-MFKMUULPSA-N 0 3 291.351 2.247 20 5 CEBDHN CC(COC(=O)c1coc2ccc(F)cc21)[N+](=O)[O-] ZINC000842802333 640187185 /nfs/dbraw/zinc/18/71/85/640187185.db2.gz VPJUAHUDBHWXFX-SSDOTTSWSA-N 0 3 267.212 2.394 20 5 CEBDHN CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877023 641117576 /nfs/dbraw/zinc/11/75/76/641117576.db2.gz DEAVPTBBMJDBFG-QPUJVOFHSA-N 0 3 255.245 2.485 20 5 CEBDHN CC(COC(=O)c1cc(Cl)nc(C2CC2)c1)[N+](=O)[O-] ZINC000847714392 641748523 /nfs/dbraw/zinc/74/85/23/641748523.db2.gz SQQOXBZDRAGTDV-SSDOTTSWSA-N 0 3 284.699 2.434 20 5 CEBDHN CC(COC(=O)C(C)(C)CC(F)(F)F)[N+](=O)[O-] ZINC000851036892 642889663 /nfs/dbraw/zinc/88/96/63/642889663.db2.gz OXEUGWWPYNZNLK-ZCFIWIBFSA-N 0 3 257.208 2.173 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@]23C[C@H]2COC32CCC2)cc1 ZINC000923037612 643524764 /nfs/dbraw/zinc/52/47/64/643524764.db2.gz REYNNHVCWBLOHP-SWLSCSKDSA-N 0 3 274.320 2.396 20 5 CEBDHN C[C@](CO)(NC[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692320 650853658 /nfs/dbraw/zinc/85/36/58/650853658.db2.gz YFASDJFBUYOKRE-LSDHHAIUSA-N 0 3 292.335 2.085 20 5 CEBDHN COc1ccc(CN2CC[C@H](C(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000877835739 650927972 /nfs/dbraw/zinc/92/79/72/650927972.db2.gz WGEXDEIYJROBIY-LBPRGKRZSA-N 0 3 294.351 2.196 20 5 CEBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059223 645686469 /nfs/dbraw/zinc/68/64/69/645686469.db2.gz WYQYNEYKKKXNFB-SKDRFNHKSA-N 0 3 293.348 2.436 20 5 CEBDHN CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000776578475 647072808 /nfs/dbraw/zinc/07/28/08/647072808.db2.gz GFPVSUYLVMIKGK-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H]1[C@H](C)SCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582786 647074685 /nfs/dbraw/zinc/07/46/85/647074685.db2.gz BYSOPZHPKWSKGH-SUNKGSAMSA-N 0 3 296.392 2.454 20 5 CEBDHN C[C@H](Cn1cncn1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783601846 647735340 /nfs/dbraw/zinc/73/53/40/647735340.db2.gz UWKGGDANYRJJOM-SECBINFHSA-N 0 3 295.730 2.018 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(C)OCCO1 ZINC000786820839 648048449 /nfs/dbraw/zinc/04/84/49/648048449.db2.gz LMUFYSWLYGJMJE-XYOKQWHBSA-N 0 3 292.335 2.351 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)O ZINC000872015943 649241321 /nfs/dbraw/zinc/24/13/21/649241321.db2.gz ANXHEUGWIQHLDA-IUCAKERBSA-N 0 3 270.354 2.348 20 5 CEBDHN C[C@H](NCC1(N(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080843 649266979 /nfs/dbraw/zinc/26/69/79/649266979.db2.gz SSBRPJUAGALJFP-JTQLQIEISA-N 0 3 281.331 2.479 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CC2CC2)cc1[N+](=O)[O-] ZINC000884171354 652740550 /nfs/dbraw/zinc/74/05/50/652740550.db2.gz STTQMYKBARJVST-MFKMUULPSA-N 0 3 291.351 2.208 20 5 CEBDHN CC(C)(O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000721880689 806895299 /nfs/dbraw/zinc/89/52/99/806895299.db2.gz VOLLVIDVTJRNKL-LBPRGKRZSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1CCN(C)C1 ZINC001167284791 802635480 /nfs/dbraw/zinc/63/54/80/802635480.db2.gz RNEYNPDPSMANJN-VIFPVBQESA-N 0 3 253.277 2.158 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@H](O)C(F)F)c1 ZINC000716715699 815144222 /nfs/dbraw/zinc/14/42/22/815144222.db2.gz JOGULNHVELPRCD-JTQLQIEISA-N 0 3 294.685 2.354 20 5 CEBDHN CN1CCCC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001120883819 815290601 /nfs/dbraw/zinc/29/06/01/815290601.db2.gz JPSYPCWJPNCRGE-NSHDSACASA-N 0 3 290.367 2.459 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CN1 ZINC000706499391 809827473 /nfs/dbraw/zinc/82/74/73/809827473.db2.gz LJUBFBZDHQTDFV-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cn(C)cn1 ZINC000710127085 809982288 /nfs/dbraw/zinc/98/22/88/809982288.db2.gz OBMCSTPBRKUFDB-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@H](N[C@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896479 810000056 /nfs/dbraw/zinc/00/00/56/810000056.db2.gz BGDJOGJQVANBGR-NHCYSSNCSA-N 0 3 250.298 2.280 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCC[C@@H](C)C1 ZINC000824614965 810704294 /nfs/dbraw/zinc/70/42/94/810704294.db2.gz HGWBWKSBKNIYDD-LLVKDONJSA-N 0 3 294.355 2.142 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2c(F)cccc2F)C1 ZINC001168960017 811314181 /nfs/dbraw/zinc/31/41/81/811314181.db2.gz YZHYFTSMIRKHLW-ZJUUUORDSA-N 0 3 270.279 2.500 20 5 CEBDHN NCc1c(F)cccc1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168967555 811318394 /nfs/dbraw/zinc/31/83/94/811318394.db2.gz QRJBNVZGDNSBKC-VHSXEESVSA-N 0 3 267.304 2.142 20 5 CEBDHN Cc1cccc(C2(N[C@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970852 811320734 /nfs/dbraw/zinc/32/07/34/811320734.db2.gz IYSOECQQPDVUQO-ZFWWWQNUSA-N 0 3 290.363 2.256 20 5 CEBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168999399 811326332 /nfs/dbraw/zinc/32/63/32/811326332.db2.gz SQRKWLVUWYOARG-GXFFZTMASA-N 0 3 280.299 2.043 20 5 CEBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169009730 811333915 /nfs/dbraw/zinc/33/39/15/811333915.db2.gz XSCWZMXBSNXZOY-NOZJJQNGSA-N 0 3 298.289 2.183 20 5 CEBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)n1 ZINC001169231487 811446450 /nfs/dbraw/zinc/44/64/50/811446450.db2.gz KKFNMTRZRILVFB-MRVPVSSYSA-N 0 3 271.280 2.282 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C)[C@H](C)C1 ZINC001173232369 815632774 /nfs/dbraw/zinc/63/27/74/815632774.db2.gz FSXBVZNHWBYEPW-CHWSQXEVSA-N 0 3 277.368 2.162 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnco1 ZINC001173212928 815635337 /nfs/dbraw/zinc/63/53/37/815635337.db2.gz CUYOSINGFXXKGD-SNVBAGLBSA-N 0 3 261.281 2.304 20 5 CEBDHN COC1(OC)CC(NCc2cccc([N+](=O)[O-])c2C)C1 ZINC001179641930 816888614 /nfs/dbraw/zinc/88/86/14/816888614.db2.gz VEIYCLFKVYQEBZ-UHFFFAOYSA-N 0 3 280.324 2.144 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601289587 346813751 /nfs/dbraw/zinc/81/37/51/346813751.db2.gz PIIULKWYNPQUSX-GMXVVIOVSA-N 0 3 264.325 2.325 20 5 CEBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCOC1 ZINC000079900734 343993302 /nfs/dbraw/zinc/99/33/02/343993302.db2.gz FIOVIRMROLAXBK-GFCCVEGCSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@H](CCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000096811585 185115586 /nfs/dbraw/zinc/11/55/86/185115586.db2.gz PUFUNUAAUTXTBD-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCCc1cccnc1 ZINC000037717918 361924344 /nfs/dbraw/zinc/92/43/44/361924344.db2.gz BQMSXGDYRCCGFP-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000080250172 344004435 /nfs/dbraw/zinc/00/44/35/344004435.db2.gz WJBJTUPVMONLNX-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN CCCC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766565 361932482 /nfs/dbraw/zinc/93/24/82/361932482.db2.gz IBZFGDZHDUGURI-ZWNOBZJWSA-N 0 3 279.340 2.290 20 5 CEBDHN CCCC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810259 361947939 /nfs/dbraw/zinc/94/79/39/361947939.db2.gz TTWLHCOXFOXPRR-LBPRGKRZSA-N 0 3 279.340 2.071 20 5 CEBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000170863694 282200267 /nfs/dbraw/zinc/20/02/67/282200267.db2.gz IVVUGUJEEAAERW-SNVBAGLBSA-N 0 3 297.742 2.024 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000126002408 365694481 /nfs/dbraw/zinc/69/44/81/365694481.db2.gz PXRABQPIOHNJOE-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046880059 343505844 /nfs/dbraw/zinc/50/58/44/343505844.db2.gz ZKJBXYSRWVELJQ-LBPRGKRZSA-N 0 3 291.351 2.057 20 5 CEBDHN C[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444298 343499543 /nfs/dbraw/zinc/49/95/43/343499543.db2.gz JVHOASRTMNMORA-OCCSQVGLSA-N 0 3 294.351 2.209 20 5 CEBDHN COC[C@@]1(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000295025807 199306864 /nfs/dbraw/zinc/30/68/64/199306864.db2.gz CQDAJSFPBPINRS-AWEZNQCLSA-N 0 3 264.325 2.453 20 5 CEBDHN CC(C)CC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602443917 347035796 /nfs/dbraw/zinc/03/57/96/347035796.db2.gz BDCHMKQSUHTZMH-AWEZNQCLSA-N 0 3 293.367 2.017 20 5 CEBDHN CCN1CCC[C@H](Nc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000133763050 344370265 /nfs/dbraw/zinc/37/02/65/344370265.db2.gz UUJKNIOFFAHIDG-NSHDSACASA-N 0 3 279.340 2.500 20 5 CEBDHN C[C@@H](NCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000211108552 344531546 /nfs/dbraw/zinc/53/15/46/344531546.db2.gz CADXFFPPWORCBO-SNVBAGLBSA-N 0 3 250.298 2.018 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229965017 344569614 /nfs/dbraw/zinc/56/96/14/344569614.db2.gz HBRHVHRCQRFSCC-LBPRGKRZSA-N 0 3 275.312 2.035 20 5 CEBDHN Cc1c(CN2CCN(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051536039 362431089 /nfs/dbraw/zinc/43/10/89/362431089.db2.gz HXWRIMYNZKEPHS-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN COc1ccc(CNC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000053097401 362481142 /nfs/dbraw/zinc/48/11/42/362481142.db2.gz SQBPYOHXFRIGHN-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC2(CO)CCCCC2)c1 ZINC000053096240 362481564 /nfs/dbraw/zinc/48/15/64/362481564.db2.gz ZBULMDUYAKQAFK-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602561105 347077774 /nfs/dbraw/zinc/07/77/74/347077774.db2.gz COTLNPMAUNZUOS-DGCLKSJQSA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1ccc(CN(C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000589196415 345070803 /nfs/dbraw/zinc/07/08/03/345070803.db2.gz AFBBOKUMYOZMIO-CQSZACIVSA-N 0 3 264.325 2.106 20 5 CEBDHN CC1(C)CN(c2nc3ccccc3cc2[N+](=O)[O-])CCN1 ZINC000591444520 345256426 /nfs/dbraw/zinc/25/64/26/345256426.db2.gz DBANCXJNXOPIJO-UHFFFAOYSA-N 0 3 286.335 2.331 20 5 CEBDHN C[C@@H](CO)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593082185 345435462 /nfs/dbraw/zinc/43/54/62/345435462.db2.gz GYCQGQVHCSNSDH-ZDUSSCGKSA-N 0 3 292.379 2.478 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)nccc2N1CCN2CCC1CC2 ZINC000593472672 345493265 /nfs/dbraw/zinc/49/32/65/345493265.db2.gz BNKWAWGBUQRGOE-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN C[C@@H](O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440168 178890069 /nfs/dbraw/zinc/89/00/69/178890069.db2.gz WLGDMYBOXFFCQQ-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN CO[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594950984 345714428 /nfs/dbraw/zinc/71/44/28/345714428.db2.gz LQZICFUELVKVRY-HIFRSBDPSA-N 0 3 294.351 2.044 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCCC1 ZINC000595002948 345723693 /nfs/dbraw/zinc/72/36/93/345723693.db2.gz CEKRHEKXLDRNSS-LBPRGKRZSA-N 0 3 293.367 2.350 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2COC3(CCC3)C2)cc1 ZINC000595020352 345728950 /nfs/dbraw/zinc/72/89/50/345728950.db2.gz XAOZXNIDGGIOHE-GFCCVEGCSA-N 0 3 292.335 2.275 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[C@H](O)C1 ZINC000595041015 345733396 /nfs/dbraw/zinc/73/33/96/345733396.db2.gz OMFIYCBCZVXVBB-LOWVWBTDSA-N 0 3 294.351 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[C@@H](C)O ZINC000595044932 345733917 /nfs/dbraw/zinc/73/39/17/345733917.db2.gz ALSOEMNLWKOBLK-GHMZBOCLSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCC[C@H]1O ZINC000595050075 345734854 /nfs/dbraw/zinc/73/48/54/345734854.db2.gz FSLDSKYKTMHCDG-OASPWFOLSA-N 0 3 280.324 2.167 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)C1CCC1 ZINC000595056957 345736206 /nfs/dbraw/zinc/73/62/06/345736206.db2.gz UNOIJCXIORVZCX-IINYFYTJSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595731401 345861927 /nfs/dbraw/zinc/86/19/27/345861927.db2.gz FRSIKEQCCJTZEU-YABSGUDNSA-N 0 3 264.325 2.044 20 5 CEBDHN Cc1c(CN2CC[C@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595835066 345891241 /nfs/dbraw/zinc/89/12/41/345891241.db2.gz UJIREJGUBSROEL-UONOGXRCSA-N 0 3 276.336 2.372 20 5 CEBDHN COc1ccc(OCCN2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595808946 345881012 /nfs/dbraw/zinc/88/10/12/345881012.db2.gz PJQXIGAABYYBRN-RYUDHWBXSA-N 0 3 292.335 2.324 20 5 CEBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000596269620 345986212 /nfs/dbraw/zinc/98/62/12/345986212.db2.gz VPQCCFJVENMZLQ-SNVBAGLBSA-N 0 3 282.319 2.049 20 5 CEBDHN O=c1[n-]ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596298130 345994118 /nfs/dbraw/zinc/99/41/18/345994118.db2.gz UQSBXJJWKZOILP-CMPLNLGQSA-N 0 3 292.339 2.124 20 5 CEBDHN O=c1[n-]ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596298130 345994123 /nfs/dbraw/zinc/99/41/23/345994123.db2.gz UQSBXJJWKZOILP-CMPLNLGQSA-N 0 3 292.339 2.124 20 5 CEBDHN CC[C@@H](NCCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000128332006 187365033 /nfs/dbraw/zinc/36/50/33/187365033.db2.gz FTTJIEKBKOXMAP-CQSZACIVSA-N 0 3 291.351 2.162 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000598343463 346332030 /nfs/dbraw/zinc/33/20/30/346332030.db2.gz VXFAURJRGJZEEO-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1c(CN2CC[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598645924 346391583 /nfs/dbraw/zinc/39/15/83/346391583.db2.gz QKGVQDSEPDVHND-RISCZKNCSA-N 0 3 278.352 2.354 20 5 CEBDHN CN(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000599094726 346459807 /nfs/dbraw/zinc/45/98/07/346459807.db2.gz LLBOAIRJIGACGM-LBPRGKRZSA-N 0 3 299.321 2.369 20 5 CEBDHN CCOc1cc(CN(C)C[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599656471 346557134 /nfs/dbraw/zinc/55/71/34/346557134.db2.gz VPTLHIYCCPPHMR-BETUJISGSA-N 0 3 294.351 2.196 20 5 CEBDHN Cc1c(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000599681890 346563499 /nfs/dbraw/zinc/56/34/99/346563499.db2.gz RCCADVGRMDQLIC-NILFDRSVSA-N 0 3 276.336 2.248 20 5 CEBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)C1(F)F ZINC000599513319 346531020 /nfs/dbraw/zinc/53/10/20/346531020.db2.gz SAVZDUUBSZMEIE-UWVGGRQHSA-N 0 3 288.298 2.014 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC1(C)COC1 ZINC000600190758 346619030 /nfs/dbraw/zinc/61/90/30/346619030.db2.gz MFWYJIDEIGFDPZ-UHFFFAOYSA-N 0 3 264.325 2.372 20 5 CEBDHN C/C=C/C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599692348 346569314 /nfs/dbraw/zinc/56/93/14/346569314.db2.gz VEKQUKLTPJRIIQ-YWVDXFKGSA-N 0 3 278.356 2.470 20 5 CEBDHN C[C@@H]1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])O1 ZINC000128452984 187371291 /nfs/dbraw/zinc/37/12/91/187371291.db2.gz RTZJLHOQOIYIEO-PWSUYJOCSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165439 346774440 /nfs/dbraw/zinc/77/44/40/346774440.db2.gz OLHUGMQJKCCROM-ZYHUDNBSSA-N 0 3 294.330 2.192 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601104575 346753530 /nfs/dbraw/zinc/75/35/30/346753530.db2.gz ATGRJBRUZAJHDO-SNVBAGLBSA-N 0 3 282.319 2.273 20 5 CEBDHN CCC[C@@]1(COC)CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602819979 347212306 /nfs/dbraw/zinc/21/23/06/347212306.db2.gz VYWUIWQBXZBHLQ-AWEZNQCLSA-N 0 3 296.371 2.109 20 5 CEBDHN C[C@H]1CCC[C@H](C)C1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602796766 347203311 /nfs/dbraw/zinc/20/33/11/347203311.db2.gz CSFMGCJSGUOFOZ-UWVGGRQHSA-N 0 3 266.345 2.243 20 5 CEBDHN CCC[C@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602811933 347210186 /nfs/dbraw/zinc/21/01/86/347210186.db2.gz ZZISHNDHTFSJQZ-LBPRGKRZSA-N 0 3 266.345 2.483 20 5 CEBDHN C[C@H]1CCC(C)(C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602836916 347218865 /nfs/dbraw/zinc/21/88/65/347218865.db2.gz INTPTAFXHKLMBL-VIFPVBQESA-N 0 3 252.318 2.091 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCC3)C2)s1 ZINC000608909449 347623619 /nfs/dbraw/zinc/62/36/19/347623619.db2.gz QOWIOFQSWLPEEA-SNVBAGLBSA-N 0 3 267.354 2.331 20 5 CEBDHN O=[N+]([O-])c1ncccc1N1CC[C@H](N2CCCCC2)C1 ZINC000609350938 347636189 /nfs/dbraw/zinc/63/61/89/347636189.db2.gz XOHJUHXTDZFDSR-LBPRGKRZSA-N 0 3 276.340 2.054 20 5 CEBDHN COC1CCN(CCNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000610573474 347692921 /nfs/dbraw/zinc/69/29/21/347692921.db2.gz HSLHHMRZUQRJNF-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN COC[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000610605294 347696040 /nfs/dbraw/zinc/69/60/40/347696040.db2.gz WIZJSHQURDEMRF-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1ccc(CN(CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000611271619 347761159 /nfs/dbraw/zinc/76/11/59/347761159.db2.gz SYUVCZKEPBQCCI-UHFFFAOYSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(SCCN(C)C)n1 ZINC000611617087 347799729 /nfs/dbraw/zinc/79/97/29/347799729.db2.gz CHSKNZWDXUHKRL-UHFFFAOYSA-N 0 3 255.343 2.260 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612582076 347904408 /nfs/dbraw/zinc/90/44/08/347904408.db2.gz RLLIGDJGUYYGQP-NWANDNLSSA-N 0 3 276.336 2.106 20 5 CEBDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336889109 365935284 /nfs/dbraw/zinc/93/52/84/365935284.db2.gz FWYHMUQCRNIMIM-IINYFYTJSA-N 0 3 282.315 2.375 20 5 CEBDHN COCCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000066378587 362862505 /nfs/dbraw/zinc/86/25/05/362862505.db2.gz MUAIJDJLQYNTRH-UHFFFAOYSA-N 0 3 268.313 2.072 20 5 CEBDHN Cc1nn(CCN2C[C@@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000568770362 299152762 /nfs/dbraw/zinc/15/27/62/299152762.db2.gz UIHCVSVZTRPOEN-QWRGUYRKSA-N 0 3 280.372 2.386 20 5 CEBDHN COc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000615496349 348336639 /nfs/dbraw/zinc/33/66/39/348336639.db2.gz YMXFBFBAZNXQDA-MNOVXSKESA-N 0 3 279.340 2.132 20 5 CEBDHN COC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832921 362889139 /nfs/dbraw/zinc/88/91/39/362889139.db2.gz WRKWNQUBHIBKKW-ZDUSSCGKSA-N 0 3 292.335 2.022 20 5 CEBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000619783606 349236330 /nfs/dbraw/zinc/23/63/30/349236330.db2.gz USWOERIWYSYCKZ-VIFPVBQESA-N 0 3 266.326 2.204 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC[C@@H]1O ZINC000090738845 180034834 /nfs/dbraw/zinc/03/48/34/180034834.db2.gz UWKJXUSIYQAAEL-RNCFNFMXSA-N 0 3 284.743 2.499 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(CC)CC1 ZINC000091557593 180190690 /nfs/dbraw/zinc/19/06/90/180190690.db2.gz NJPXLHJLYLDZPV-UHFFFAOYSA-N 0 3 281.360 2.016 20 5 CEBDHN CCc1nn(C)c(NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000091561666 180192186 /nfs/dbraw/zinc/19/21/86/180192186.db2.gz GNWIEYKNIBWCGH-UHFFFAOYSA-N 0 3 295.387 2.035 20 5 CEBDHN CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000271350023 191087903 /nfs/dbraw/zinc/08/79/03/191087903.db2.gz POHBGCNALSNCDW-OCCSQVGLSA-N 0 3 264.325 2.106 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)CC ZINC000106449005 186117709 /nfs/dbraw/zinc/11/77/09/186117709.db2.gz CCNDYMMKFJMZCL-CQSZACIVSA-N 0 3 282.340 2.244 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCOC1 ZINC000130580352 365969230 /nfs/dbraw/zinc/96/92/30/365969230.db2.gz VHNFJZMUXKOQFC-GHMZBOCLSA-N 0 3 280.324 2.118 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCOC1 ZINC000130580140 365969748 /nfs/dbraw/zinc/96/97/48/365969748.db2.gz VHNFJZMUXKOQFC-WDEREUQCSA-N 0 3 280.324 2.118 20 5 CEBDHN CCOc1cc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000111050063 186348420 /nfs/dbraw/zinc/34/84/20/186348420.db2.gz WFBCCTOIUONHOX-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN CCC(O)(CC)CNCc1csc([N+](=O)[O-])c1 ZINC000111158820 186362010 /nfs/dbraw/zinc/36/20/10/186362010.db2.gz SDPBHXMLXWQTRW-UHFFFAOYSA-N 0 3 258.343 2.297 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC000070479439 363091109 /nfs/dbraw/zinc/09/11/09/363091109.db2.gz IVOWSWUIEJPJPK-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN CCN1CCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000070495824 363090858 /nfs/dbraw/zinc/09/08/58/363090858.db2.gz YNYIUPUMPCNHOX-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN COc1ccc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000271649190 191258329 /nfs/dbraw/zinc/25/83/29/191258329.db2.gz ITQWRSWIXPKOCA-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CC=CCC1 ZINC000569378718 299199554 /nfs/dbraw/zinc/19/95/54/299199554.db2.gz ZPCNMUXLXCHDRZ-OAHLLOKOSA-N 0 3 287.363 2.434 20 5 CEBDHN COc1cc(CN[C@H]2COCC2(C)C)ccc1[N+](=O)[O-] ZINC000451808164 283111225 /nfs/dbraw/zinc/11/12/25/283111225.db2.gz DSHCCEHYXBCPJH-ZDUSSCGKSA-N 0 3 280.324 2.118 20 5 CEBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137170 314209147 /nfs/dbraw/zinc/20/91/47/314209147.db2.gz QVHGKLBHTQSQRD-QWRGUYRKSA-N 0 3 279.340 2.078 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H]2CN(C)C(=O)O2)cc1[N+](=O)[O-] ZINC000495795935 291079666 /nfs/dbraw/zinc/07/96/66/291079666.db2.gz RHNVHWUFJVZBMA-CMPLNLGQSA-N 0 3 293.323 2.004 20 5 CEBDHN CC[C@H](COC)NCc1cccc([N+](=O)[O-])c1C ZINC000079742997 363626817 /nfs/dbraw/zinc/62/68/17/363626817.db2.gz ZGXSHKXWGZNOAJ-GFCCVEGCSA-N 0 3 252.314 2.418 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000079963521 363636866 /nfs/dbraw/zinc/63/68/66/363636866.db2.gz LWZKGOJGRRFNBO-GFCCVEGCSA-N 0 3 250.298 2.063 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(CC(F)F)C2)cc1 ZINC000418140193 237319993 /nfs/dbraw/zinc/31/99/93/237319993.db2.gz VGWLMDNRQRGVIV-LLVKDONJSA-N 0 3 285.294 2.024 20 5 CEBDHN COC[C@@](C)(O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257403 283512431 /nfs/dbraw/zinc/51/24/31/283512431.db2.gz NDMDKJULXSZNPW-RISCZKNCSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000177851363 189074331 /nfs/dbraw/zinc/07/43/31/189074331.db2.gz KSHZBZJSVGIXRZ-GFCCVEGCSA-N 0 3 293.367 2.421 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(CN(C)C)CCC1 ZINC000342019531 216190759 /nfs/dbraw/zinc/19/07/59/216190759.db2.gz RRXDWORKJBLZMD-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@H](CO)C1 ZINC000342242179 216277125 /nfs/dbraw/zinc/27/71/25/216277125.db2.gz IKAXINHISUYOQM-STQMWFEESA-N 0 3 278.352 2.483 20 5 CEBDHN C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000342364283 216326147 /nfs/dbraw/zinc/32/61/47/216326147.db2.gz VZCFOGAJKQVDCR-GWCFXTLKSA-N 0 3 292.339 2.199 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)O ZINC000183348528 189355890 /nfs/dbraw/zinc/35/58/90/189355890.db2.gz ABKWJDHOYNUIAX-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1ccc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000301816882 201215303 /nfs/dbraw/zinc/21/53/03/201215303.db2.gz JTTYRCPXGKWKBL-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302169585 201378409 /nfs/dbraw/zinc/37/84/09/201378409.db2.gz TYMBPJUYLOQTGA-UHFFFAOYSA-N 0 3 275.255 2.170 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC1(CO)CC1 ZINC000186780855 189451163 /nfs/dbraw/zinc/45/11/63/189451163.db2.gz HIKBOIIHQHSQSB-LLVKDONJSA-N 0 3 264.325 2.360 20 5 CEBDHN C[C@@H](N[C@H](C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087818498 363871014 /nfs/dbraw/zinc/87/10/14/363871014.db2.gz ZZKORSZJPBGRBU-NXEZZACHSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@]1(CNCc2csc([N+](=O)[O-])c2)CCCO1 ZINC000094798457 364297442 /nfs/dbraw/zinc/29/74/42/364297442.db2.gz OMXLGFFFXJTPGO-LLVKDONJSA-N 0 3 256.327 2.315 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000340415288 366877079 /nfs/dbraw/zinc/87/70/79/366877079.db2.gz JUGHBUYATVAUPR-IACUBPJLSA-N 0 3 294.351 2.094 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[C@@H]1C ZINC000159197964 366888679 /nfs/dbraw/zinc/88/86/79/366888679.db2.gz AHAUPRFDQWNRIJ-UWVGGRQHSA-N 0 3 250.298 2.349 20 5 CEBDHN Cc1nn(C)c(NCCN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341135968 367188934 /nfs/dbraw/zinc/18/89/34/367188934.db2.gz ZDBGPNNTOAUCRN-QWRGUYRKSA-N 0 3 295.387 2.312 20 5 CEBDHN CS[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000611414534 367225464 /nfs/dbraw/zinc/22/54/64/367225464.db2.gz GBXUSTINBYWSKN-NXEZZACHSA-N 0 3 287.410 2.138 20 5 CEBDHN CC(C)[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168128995 367347411 /nfs/dbraw/zinc/34/74/11/367347411.db2.gz ZCIHXILBZXAQDJ-LBPRGKRZSA-N 0 3 272.732 2.355 20 5 CEBDHN COc1ccc(CNCCOC(C)C)cc1[N+](=O)[O-] ZINC000168949513 367362775 /nfs/dbraw/zinc/36/27/75/367362775.db2.gz KTWGDBUCVZLWHU-UHFFFAOYSA-N 0 3 268.313 2.118 20 5 CEBDHN COC(=O)[C@@H](C)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171298996 367517199 /nfs/dbraw/zinc/51/71/99/367517199.db2.gz PDMDZPHCQWZVAP-NSHDSACASA-N 0 3 292.335 2.368 20 5 CEBDHN Cc1cc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000343454092 367824572 /nfs/dbraw/zinc/82/45/72/367824572.db2.gz PCZRUEAJQVFGSO-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@H](NC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000173352127 367900762 /nfs/dbraw/zinc/90/07/62/367900762.db2.gz LUGGHAUYIKCKJY-FZMZJTMJSA-N 0 3 263.341 2.340 20 5 CEBDHN CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246885 368001831 /nfs/dbraw/zinc/00/18/31/368001831.db2.gz CTWKAONWKHTSPL-UHFFFAOYSA-N 0 3 250.298 2.458 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000176197952 368209801 /nfs/dbraw/zinc/20/98/01/368209801.db2.gz AVPGGUOFVHIJDA-STQMWFEESA-N 0 3 278.356 2.446 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000343471238 216785135 /nfs/dbraw/zinc/78/51/35/216785135.db2.gz WAJNJTSGTPDTLH-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN COCC1=CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185892972 368882143 /nfs/dbraw/zinc/88/21/43/368882143.db2.gz HZLNKBQPXNBYPG-UHFFFAOYSA-N 0 3 276.336 2.416 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC1CC(O)C1 ZINC000276022034 193191545 /nfs/dbraw/zinc/19/15/45/193191545.db2.gz KOWMJVQDMAZTDF-VOMCLLRMSA-N 0 3 264.325 2.359 20 5 CEBDHN CC[C@H](N[C@@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645042 203073561 /nfs/dbraw/zinc/07/35/61/203073561.db2.gz GIUVXZXZCKKYAE-HIFRSBDPSA-N 0 3 291.351 2.256 20 5 CEBDHN CC[C@@H](N[C@@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645043 203073835 /nfs/dbraw/zinc/07/38/35/203073835.db2.gz GIUVXZXZCKKYAE-UKRRQHHQSA-N 0 3 291.351 2.256 20 5 CEBDHN CCC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350058722 369493476 /nfs/dbraw/zinc/49/34/76/369493476.db2.gz GNGHFAWSPRDPIM-UHFFFAOYSA-N 0 3 266.345 2.303 20 5 CEBDHN COc1cc(CN[C@H]2CSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352812923 369889305 /nfs/dbraw/zinc/88/93/05/369889305.db2.gz ARTMKBDBRVSLOY-ONGXEEELSA-N 0 3 282.365 2.445 20 5 CEBDHN CC(C)[C@@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000352874896 369925807 /nfs/dbraw/zinc/92/58/07/369925807.db2.gz WXZIBIDKGJPVAW-LLVKDONJSA-N 0 3 258.343 2.153 20 5 CEBDHN CCCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000193729554 369976836 /nfs/dbraw/zinc/97/68/36/369976836.db2.gz XIHAUAMAMGMPQH-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN Cc1c(CN[C@@](C)(CO)C(C)C)cccc1[N+](=O)[O-] ZINC000352906673 369944160 /nfs/dbraw/zinc/94/41/60/369944160.db2.gz CVGMHLJWBHLLMP-AWEZNQCLSA-N 0 3 266.341 2.400 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000353154846 370043770 /nfs/dbraw/zinc/04/37/70/370043770.db2.gz PAWQMGFMASURBD-LSDHHAIUSA-N 0 3 294.351 2.187 20 5 CEBDHN CCC(CC)[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000225815327 370320892 /nfs/dbraw/zinc/32/08/92/370320892.db2.gz LYDFAOCMCYDHKP-AWEZNQCLSA-N 0 3 266.341 2.482 20 5 CEBDHN CC(C)(C)C[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227373566 370369615 /nfs/dbraw/zinc/36/96/15/370369615.db2.gz AFDIZGSUBRSWGY-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651279 370378611 /nfs/dbraw/zinc/37/86/11/370378611.db2.gz QSPPVFZPOBEKJM-MRVPVSSYSA-N 0 3 270.720 2.007 20 5 CEBDHN CCC[C@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000226252224 370331581 /nfs/dbraw/zinc/33/15/81/370331581.db2.gz OCSJQJXCPKVKFP-AWEZNQCLSA-N 0 3 282.340 2.244 20 5 CEBDHN CC(C)[C@H](CCO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000231078717 370474973 /nfs/dbraw/zinc/47/49/73/370474973.db2.gz ZBGGNEIARMNJAM-LBPRGKRZSA-N 0 3 270.304 2.231 20 5 CEBDHN C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N(C)C ZINC000235454700 370567741 /nfs/dbraw/zinc/56/77/41/370567741.db2.gz WKLJPCBVYZFTAK-SSDOTTSWSA-N 0 3 292.261 2.371 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000236726966 370615567 /nfs/dbraw/zinc/61/55/67/370615567.db2.gz PFTFXASFRBHCQV-YPMHNXCESA-N 0 3 293.367 2.454 20 5 CEBDHN C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000248399444 371185938 /nfs/dbraw/zinc/18/59/38/371185938.db2.gz OUNXMGCQEOVKSK-ZLKJLUDKSA-N 0 3 291.351 2.290 20 5 CEBDHN C[C@H](C[S@@](C)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248443364 371196764 /nfs/dbraw/zinc/19/67/64/371196764.db2.gz BCTSYEQMDGZFFD-CLFVBBPSSA-N 0 3 270.354 2.012 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(C)[C@H]1C ZINC000361046006 371619447 /nfs/dbraw/zinc/61/94/47/371619447.db2.gz ZGUITIXSDFNHMU-ONGXEEELSA-N 0 3 281.360 2.014 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc(C)cc1[N+](=O)[O-] ZINC000267524045 372073808 /nfs/dbraw/zinc/07/38/08/372073808.db2.gz HHWAKLQGDYHUNF-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN CCN1C[C@H](C)[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344205625 217098769 /nfs/dbraw/zinc/09/87/69/217098769.db2.gz DGGJBFOLHZOAQQ-SMDDNHRTSA-N 0 3 293.367 2.033 20 5 CEBDHN CN(CCN(C)C1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000274532176 373952233 /nfs/dbraw/zinc/95/22/33/373952233.db2.gz YZTANGSCLWBXCF-UHFFFAOYSA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([S@](C)=O)CC1 ZINC000573666327 299450058 /nfs/dbraw/zinc/45/00/58/299450058.db2.gz LTCVUQOXJCQJHE-GIPWTMENSA-N 0 3 296.392 2.465 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H](CO)C1 ZINC000374048596 374474723 /nfs/dbraw/zinc/47/47/23/374474723.db2.gz FXJPGYNEHLYHHW-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN CC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000279753873 374975549 /nfs/dbraw/zinc/97/55/49/374975549.db2.gz QNXZIYSPEKQIFF-UHFFFAOYSA-N 0 3 284.385 2.009 20 5 CEBDHN CC(=O)N1CCC[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000279938397 375036987 /nfs/dbraw/zinc/03/69/87/375036987.db2.gz YPOHWPRTJNUNGT-LLVKDONJSA-N 0 3 297.380 2.004 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000385756073 375242265 /nfs/dbraw/zinc/24/22/65/375242265.db2.gz WZMDEJSYNAHOKP-KGLIPLIRSA-N 0 3 278.352 2.496 20 5 CEBDHN CCOC(=O)CCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282374982 375470639 /nfs/dbraw/zinc/47/06/39/375470639.db2.gz FJSCXLOMRNMKKQ-UHFFFAOYSA-N 0 3 294.351 2.412 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282214338 375431293 /nfs/dbraw/zinc/43/12/93/375431293.db2.gz DMSMXZWMVHYAEW-STQMWFEESA-N 0 3 294.351 2.473 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000282214337 375431770 /nfs/dbraw/zinc/43/17/70/375431770.db2.gz DMSMXZWMVHYAEW-QWHCGFSZSA-N 0 3 294.351 2.473 20 5 CEBDHN CO[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282386172 375471733 /nfs/dbraw/zinc/47/17/33/375471733.db2.gz ORJKKPQPAZYFOG-KCPJHIHWSA-N 0 3 294.351 2.128 20 5 CEBDHN Cc1c(CN(C)CCc2cccc([N+](=O)[O-])c2)cnn1C ZINC000282531764 375510340 /nfs/dbraw/zinc/51/03/40/375510340.db2.gz VEFLCDKUROMFGE-UHFFFAOYSA-N 0 3 288.351 2.311 20 5 CEBDHN COc1ccc(CN[C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000414585579 375868600 /nfs/dbraw/zinc/86/86/00/375868600.db2.gz UEQFIGANNADLEV-STQMWFEESA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CO)C1 ZINC000263793826 190079330 /nfs/dbraw/zinc/07/93/30/190079330.db2.gz RGMWLOONWBUIEH-NWDGAFQWSA-N 0 3 264.325 2.360 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCSC2)c(F)c1 ZINC000310357085 376621653 /nfs/dbraw/zinc/62/16/53/376621653.db2.gz RDAYVTJSXPTULQ-VIFPVBQESA-N 0 3 256.302 2.329 20 5 CEBDHN C[C@H](NC[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602385 376678150 /nfs/dbraw/zinc/67/81/50/376678150.db2.gz CVWUROPSTUSCJR-IINYFYTJSA-N 0 3 264.325 2.406 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1CCCN1C ZINC000421005983 376781619 /nfs/dbraw/zinc/78/16/19/376781619.db2.gz VREFLWSMYZZLLD-CQSZACIVSA-N 0 3 293.367 2.129 20 5 CEBDHN CN(C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290783297 376924064 /nfs/dbraw/zinc/92/40/64/376924064.db2.gz NHVWVTOKXLITDY-AWEZNQCLSA-N 0 3 296.392 2.283 20 5 CEBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291077863 377060748 /nfs/dbraw/zinc/06/07/48/377060748.db2.gz MVTLLQQFIPBSRB-LLVKDONJSA-N 0 3 282.340 2.460 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@]1(C)CO ZINC000331021977 377243667 /nfs/dbraw/zinc/24/36/67/377243667.db2.gz SLZRYGOAOZFKIP-GJZGRUSLSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H]1CCC[C@@H](NCc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000331100618 377281400 /nfs/dbraw/zinc/28/14/00/377281400.db2.gz DAFSYOYSOBLUSE-OUAUKWLOSA-N 0 3 266.345 2.243 20 5 CEBDHN COC[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000294659496 378002399 /nfs/dbraw/zinc/00/23/99/378002399.db2.gz HFRRIRCMJNFQGN-NOZJJQNGSA-N 0 3 279.340 2.253 20 5 CEBDHN C[C@@H]1[C@H](O)CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000295819923 378316859 /nfs/dbraw/zinc/31/68/59/378316859.db2.gz BWEAIMYQFXGPOO-IUODEOHRSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCN1CCCO ZINC000450598846 378492838 /nfs/dbraw/zinc/49/28/38/378492838.db2.gz RQFRSBQNISJAQG-CQSZACIVSA-N 0 3 293.367 2.162 20 5 CEBDHN CC[C@H](NCC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453243703 378837463 /nfs/dbraw/zinc/83/74/63/378837463.db2.gz AEECNTVTLNUWAF-GJZGRUSLSA-N 0 3 296.367 2.423 20 5 CEBDHN CCOCC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772395 194148829 /nfs/dbraw/zinc/14/88/29/194148829.db2.gz NFWRRRLKXSXEPB-NWDGAFQWSA-N 0 3 282.340 2.033 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301235790 379228224 /nfs/dbraw/zinc/22/82/24/379228224.db2.gz HRLITEJQRUTNEM-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457087081 379660107 /nfs/dbraw/zinc/66/01/07/379660107.db2.gz PSWYRTPMPSJGJG-CQSZACIVSA-N 0 3 291.351 2.150 20 5 CEBDHN C[C@@H]1C[C@@H](C)N1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000548754395 380556596 /nfs/dbraw/zinc/55/65/96/380556596.db2.gz DUFXZKAFDIPMLD-GHMZBOCLSA-N 0 3 277.324 2.406 20 5 CEBDHN COc1cc(CN[C@H]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847727 380708333 /nfs/dbraw/zinc/70/83/33/380708333.db2.gz OZMYRMZEHMHGHY-LSDHHAIUSA-N 0 3 294.351 2.244 20 5 CEBDHN COC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000086699732 184610035 /nfs/dbraw/zinc/61/00/35/184610035.db2.gz BSSUOZIMQLYAMH-GFCCVEGCSA-N 0 3 270.304 2.495 20 5 CEBDHN CCC[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000350286766 219005388 /nfs/dbraw/zinc/00/53/88/219005388.db2.gz LIDVQXAPDXSQDK-CYBMUJFWSA-N 0 3 270.304 2.375 20 5 CEBDHN COCCN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288626075 197130539 /nfs/dbraw/zinc/13/05/39/197130539.db2.gz YECLPHMGCWGSQA-UHFFFAOYSA-N 0 3 297.330 2.257 20 5 CEBDHN COC[C@@H](CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000358479279 285221752 /nfs/dbraw/zinc/22/17/52/285221752.db2.gz DIPCBESUHOBKSZ-CYBMUJFWSA-N 0 3 296.367 2.469 20 5 CEBDHN C[C@@H](NCC1(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000157491199 533356485 /nfs/dbraw/zinc/35/64/85/533356485.db2.gz VDZWLKFRPBERBX-LLVKDONJSA-N 0 3 264.325 2.408 20 5 CEBDHN Cc1c(C(=O)N2CCC[C@@H]2CN(C)C)cccc1[N+](=O)[O-] ZINC000263906476 131358049 /nfs/dbraw/zinc/35/80/49/131358049.db2.gz HELCUMSSCQVZHG-GFCCVEGCSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)(CN1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000308666792 394529708 /nfs/dbraw/zinc/52/97/08/394529708.db2.gz IOCNNPDGWGKOGW-UHFFFAOYSA-N 0 3 270.358 2.338 20 5 CEBDHN Cc1cc(N2CCN(C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000356791010 394615412 /nfs/dbraw/zinc/61/54/12/394615412.db2.gz IFFOAQGCFBDGJD-VXGBXAGGSA-N 0 3 263.341 2.432 20 5 CEBDHN CC[C@@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000421868878 394622440 /nfs/dbraw/zinc/62/24/40/394622440.db2.gz CUVVBGGTXVMAJH-OCCSQVGLSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1nc(N2CC[C@H](N3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268515289 394695940 /nfs/dbraw/zinc/69/59/40/394695940.db2.gz TUIOPBWXNWVTDB-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CC(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130380576 394886527 /nfs/dbraw/zinc/88/65/27/394886527.db2.gz GWPNMNDBIUVOBH-UHFFFAOYSA-N 0 3 291.351 2.085 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000415508540 394939983 /nfs/dbraw/zinc/93/99/83/394939983.db2.gz VDRNQQQCNJEOGN-GHMZBOCLSA-N 0 3 292.339 2.117 20 5 CEBDHN CCCC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423834824 394998764 /nfs/dbraw/zinc/99/87/64/394998764.db2.gz CYAMXRGGSBEBGB-LBPRGKRZSA-N 0 3 299.758 2.382 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000153384706 395006126 /nfs/dbraw/zinc/00/61/26/395006126.db2.gz ZOYOBNYGTBZHIZ-CQSZACIVSA-N 0 3 262.309 2.207 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375040761 395090046 /nfs/dbraw/zinc/09/00/46/395090046.db2.gz PIJDTSHFDANHDA-BXKDBHETSA-N 0 3 296.758 2.174 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@H](C)[C@H]1C ZINC000430199154 395163417 /nfs/dbraw/zinc/16/34/17/395163417.db2.gz AXYRVBDNWXIRRI-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000181057343 395208569 /nfs/dbraw/zinc/20/85/69/395208569.db2.gz CRJTVVOOGSPLSC-OSMZGAPFSA-N 0 3 264.325 2.467 20 5 CEBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408465720 395300226 /nfs/dbraw/zinc/30/02/26/395300226.db2.gz HPEKJRQACPKYBS-GXFFZTMASA-N 0 3 294.330 2.049 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(C)CCC(=O)N1 ZINC000574401898 395629308 /nfs/dbraw/zinc/62/93/08/395629308.db2.gz AOZNWLJODNBVMF-IAQYHMDHSA-N 0 3 291.351 2.223 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@H](CO)CC2)c(F)c1 ZINC000493768493 395673760 /nfs/dbraw/zinc/67/37/60/395673760.db2.gz XIDZYTUUCJJQFK-UMSPYCQHSA-N 0 3 282.315 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCc2cccc(CO)c2)cc1 ZINC000222116311 153310116 /nfs/dbraw/zinc/31/01/16/153310116.db2.gz DQGGELBRHYVLIK-UHFFFAOYSA-N 0 3 272.304 2.377 20 5 CEBDHN COc1ccc(CN[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704175 153397155 /nfs/dbraw/zinc/39/71/55/153397155.db2.gz IUWJAEKAVSHCGZ-SNVBAGLBSA-N 0 3 268.338 2.199 20 5 CEBDHN C[C@@H]1CC[C@]2(CCN(CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000367834119 156244567 /nfs/dbraw/zinc/24/45/67/156244567.db2.gz VWUKHQXLVBUNNS-OCCSQVGLSA-N 0 3 278.356 2.303 20 5 CEBDHN CC(C)[C@]1(CO)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000368075087 156280715 /nfs/dbraw/zinc/28/07/15/156280715.db2.gz PWFYLLKXOQZRHP-OAHLLOKOSA-N 0 3 278.352 2.435 20 5 CEBDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000168520767 286895313 /nfs/dbraw/zinc/89/53/13/286895313.db2.gz PPAHYBISQVJMBD-LXIMFEHMSA-N 0 3 270.354 2.012 20 5 CEBDHN C[C@@H](NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127087 171011870 /nfs/dbraw/zinc/01/18/70/171011870.db2.gz KKFFQKPNLBAGSB-GFCCVEGCSA-N 0 3 263.341 2.341 20 5 CEBDHN CO[C@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000285388650 196269433 /nfs/dbraw/zinc/26/94/33/196269433.db2.gz NVBUXRBKOAOUGR-BETUJISGSA-N 0 3 250.298 2.204 20 5 CEBDHN CN1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000037249109 173061052 /nfs/dbraw/zinc/06/10/52/173061052.db2.gz HWOUSINXGKWILV-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CCC[C@@H](NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060723 174071371 /nfs/dbraw/zinc/07/13/71/174071371.db2.gz YBYAZTCATBCVLI-LSDHHAIUSA-N 0 3 294.351 2.441 20 5 CEBDHN CCN1CCC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040502793 174299202 /nfs/dbraw/zinc/29/92/02/174299202.db2.gz FTWQFLCVEBOGAW-AWEZNQCLSA-N 0 3 277.368 2.477 20 5 CEBDHN COCC(C)(C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076494243 177028814 /nfs/dbraw/zinc/02/88/14/177028814.db2.gz FKSFTFNKTYMVKW-UHFFFAOYSA-N 0 3 268.313 2.118 20 5 CEBDHN Cc1ccc(CN[C@@H](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000077424251 177265554 /nfs/dbraw/zinc/26/55/54/177265554.db2.gz VWVDICXTKXHXNI-MNOVXSKESA-N 0 3 252.314 2.010 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(O)CCCCC1 ZINC000078514840 177348974 /nfs/dbraw/zinc/34/89/74/177348974.db2.gz BSIQITGIVIAWIA-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN COC[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476479 298992280 /nfs/dbraw/zinc/99/22/80/298992280.db2.gz YCXLFVCFMKOCGY-SKDRFNHKSA-N 0 3 250.298 2.207 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420636900 270547429 /nfs/dbraw/zinc/54/74/29/270547429.db2.gz OALNLXNRSNPYIY-JTQLQIEISA-N 0 3 284.747 2.174 20 5 CEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)CN(C)C ZINC000343784638 274000830 /nfs/dbraw/zinc/00/08/30/274000830.db2.gz AJDDJFRBIVNOAY-JTQLQIEISA-N 0 3 295.339 2.052 20 5 CEBDHN C[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408112960 274333795 /nfs/dbraw/zinc/33/37/95/274333795.db2.gz OYZFTNOMHVPLPB-LLVKDONJSA-N 0 3 286.335 2.283 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000267558513 274335277 /nfs/dbraw/zinc/33/52/77/274335277.db2.gz FIJYZQAVAMXHFD-VXGBXAGGSA-N 0 3 263.341 2.371 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC2(O)Cc3ccccc3C2)cc1 ZINC000371700524 275035574 /nfs/dbraw/zinc/03/55/74/275035574.db2.gz FPVHWYIFJFSOSB-UHFFFAOYSA-N 0 3 298.342 2.214 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCC2(O)Cc3ccccc3C2)c1 ZINC000377776382 275039189 /nfs/dbraw/zinc/03/91/89/275039189.db2.gz UVPQDAYJUYUPCR-UHFFFAOYSA-N 0 3 298.342 2.214 20 5 CEBDHN CCN(C[C@@H](C)O)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352194204 279216278 /nfs/dbraw/zinc/21/62/78/279216278.db2.gz IRDNYNOIEUMRQL-GHMZBOCLSA-N 0 3 252.314 2.359 20 5 CEBDHN C[C@H]1[C@H](C)N(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000357047444 280112156 /nfs/dbraw/zinc/11/21/56/280112156.db2.gz WDIJGXLJYOBFGU-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189311253 280148522 /nfs/dbraw/zinc/14/85/22/280148522.db2.gz JUUAMLDIIRQJDJ-RISCZKNCSA-N 0 3 264.325 2.452 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[C@H](O)C1 ZINC000352767524 281022745 /nfs/dbraw/zinc/02/27/45/281022745.db2.gz BYZVZOKSTTWMOL-UHIISALHSA-N 0 3 264.325 2.277 20 5 CEBDHN Cc1c(CNC2(CO)CCSCC2)cccc1[N+](=O)[O-] ZINC000459717097 290216549 /nfs/dbraw/zinc/21/65/49/290216549.db2.gz SYZFZSPPXUOZTD-UHFFFAOYSA-N 0 3 296.392 2.251 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000487132655 290333127 /nfs/dbraw/zinc/33/31/27/290333127.db2.gz XPJUBOWLVQCVDX-CYBMUJFWSA-N 0 3 278.356 2.075 20 5 CEBDHN CCCN(C)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488078086 290377065 /nfs/dbraw/zinc/37/70/65/290377065.db2.gz HZUVINADYHINTJ-LBPRGKRZSA-N 0 3 293.367 2.422 20 5 CEBDHN Cc1cnc(N(C)[C@@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268109720 302345524 /nfs/dbraw/zinc/34/55/24/302345524.db2.gz CBVQRBSWIKXJBO-NWDGAFQWSA-N 0 3 278.356 2.075 20 5 CEBDHN Cc1cnc(N2CCC[C@@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269107881 302349885 /nfs/dbraw/zinc/34/98/85/302349885.db2.gz VIUARJOKVXUWGO-CHWSQXEVSA-N 0 3 290.367 2.219 20 5 CEBDHN CCC[C@H](N[C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161358892 521174713 /nfs/dbraw/zinc/17/47/13/521174713.db2.gz HXZANXLDRAYDBS-MFKMUULPSA-N 0 3 279.340 2.290 20 5 CEBDHN COc1cc(CN[C@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000355013757 533905140 /nfs/dbraw/zinc/90/51/40/533905140.db2.gz OLOIHOKQOFSZRZ-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN CC(C)N1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000274420700 517438529 /nfs/dbraw/zinc/43/85/29/517438529.db2.gz DHONEOXDGBVQGB-ZDUSSCGKSA-N 0 3 291.351 2.197 20 5 CEBDHN CC(C)[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067452972 519813266 /nfs/dbraw/zinc/81/32/66/519813266.db2.gz OTZGRQZLDATXJE-FZMZJTMJSA-N 0 3 291.351 2.334 20 5 CEBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000366662210 523748264 /nfs/dbraw/zinc/74/82/64/523748264.db2.gz JYPNJMGOBCRRLW-ZDUSSCGKSA-N 0 3 292.335 2.226 20 5 CEBDHN COc1ccc(CNCCCSC)cc1[N+](=O)[O-] ZINC000069447073 524070192 /nfs/dbraw/zinc/07/01/92/524070192.db2.gz ZNVDDXXEWFAGJM-UHFFFAOYSA-N 0 3 270.354 2.446 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCC(C)CC1 ZINC000052812573 525576556 /nfs/dbraw/zinc/57/65/56/525576556.db2.gz NKDLBJUJANZYEN-UHFFFAOYSA-N 0 3 278.356 2.442 20 5 CEBDHN CSC[C@@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160355250 525641102 /nfs/dbraw/zinc/64/11/02/525641102.db2.gz BTHIGCUNEXGWRO-ZYHUDNBSSA-N 0 3 284.381 2.359 20 5 CEBDHN CC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000414528252 529186856 /nfs/dbraw/zinc/18/68/56/529186856.db2.gz NXZAVSPLFGBZSK-OCCSQVGLSA-N 0 3 266.341 2.480 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000229165736 535273372 /nfs/dbraw/zinc/27/33/72/535273372.db2.gz FMGROKFVNWQJMI-UHFFFAOYSA-N 0 3 270.304 2.373 20 5 CEBDHN C[C@H]1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])CCN1C ZINC000742411890 575020432 /nfs/dbraw/zinc/02/04/32/575020432.db2.gz JUMOYQQPJHNXJV-QWRGUYRKSA-N 0 3 289.339 2.137 20 5 CEBDHN Cc1cc(C(=O)NCCN2CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000744345082 575119729 /nfs/dbraw/zinc/11/97/29/575119729.db2.gz JESFTLFTDZSTGD-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1nn(CN(C)CCC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000746628505 575161214 /nfs/dbraw/zinc/16/12/14/575161214.db2.gz WGLOXUKVQISDMO-UHFFFAOYSA-N 0 3 289.339 2.337 20 5 CEBDHN CC[C@@H]1CCCN1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749952581 575241057 /nfs/dbraw/zinc/24/10/57/575241057.db2.gz VULHOVQRLIMZCY-LLVKDONJSA-N 0 3 289.339 2.480 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000750729247 575273258 /nfs/dbraw/zinc/27/32/58/575273258.db2.gz YXISHCDSKFUVNW-AWEZNQCLSA-N 0 3 293.367 2.219 20 5 CEBDHN CCOc1cc(CN[C@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000932492234 622896611 /nfs/dbraw/zinc/89/66/11/622896611.db2.gz PFEYKSUSHKYDTA-PWSUYJOCSA-N 0 3 280.324 2.118 20 5 CEBDHN Cc1cccc([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813101818 623019411 /nfs/dbraw/zinc/01/94/11/623019411.db2.gz JJGRQYHOAKMPQH-GHMZBOCLSA-N 0 3 251.282 2.307 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)[N+](=O)[O-] ZINC000813103830 623020579 /nfs/dbraw/zinc/02/05/79/623020579.db2.gz GQVFUXCMBDVYAT-POZPLHJXSA-N 0 3 285.246 2.277 20 5 CEBDHN CC(C)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105607 623024338 /nfs/dbraw/zinc/02/43/38/623024338.db2.gz QAAKDCIDZWBTJN-JTQLQIEISA-N 0 3 267.281 2.296 20 5 CEBDHN CC(COC(=O)C[C@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813108070 623040758 /nfs/dbraw/zinc/04/07/58/623040758.db2.gz UURINUCKVKWXSU-WDEREUQCSA-N 0 3 251.282 2.389 20 5 CEBDHN COC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000892966710 627906510 /nfs/dbraw/zinc/90/65/10/627906510.db2.gz YFTJZVRYIIVGGV-NSHDSACASA-N 0 3 298.339 2.070 20 5 CEBDHN COC[C@H]([NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C(C)C ZINC000892966710 627906514 /nfs/dbraw/zinc/90/65/14/627906514.db2.gz YFTJZVRYIIVGGV-NSHDSACASA-N 0 3 298.339 2.070 20 5 CEBDHN CC(C)C1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000795545881 629602713 /nfs/dbraw/zinc/60/27/13/629602713.db2.gz HPQDMEUZEVXRIZ-AWEZNQCLSA-N 0 3 264.325 2.216 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000894778433 629634578 /nfs/dbraw/zinc/63/45/78/629634578.db2.gz OLGLGRDNRGILTK-RYUDHWBXSA-N 0 3 292.335 2.445 20 5 CEBDHN COc1cc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000895737760 630327155 /nfs/dbraw/zinc/32/71/55/630327155.db2.gz YHZVTOUWEPZJDJ-VHSXEESVSA-N 0 3 295.339 2.117 20 5 CEBDHN CC(COC(=O)c1cccc(-n2cccc2)c1)[N+](=O)[O-] ZINC000813100109 632620753 /nfs/dbraw/zinc/62/07/53/632620753.db2.gz MSNYVDYBFAPLJQ-NSHDSACASA-N 0 3 274.276 2.299 20 5 CEBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000813101891 632621791 /nfs/dbraw/zinc/62/17/91/632621791.db2.gz KXROKGXRRMNVDG-MRVPVSSYSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)CSCc1ccc(F)cc1)[N+](=O)[O-] ZINC000813104251 632622274 /nfs/dbraw/zinc/62/22/74/632622274.db2.gz KVXRDKLXPCKAPM-VIFPVBQESA-N 0 3 287.312 2.267 20 5 CEBDHN CC(COC(=O)[C@@H](C)Oc1ccccc1Cl)[N+](=O)[O-] ZINC000813105021 632622533 /nfs/dbraw/zinc/62/25/33/632622533.db2.gz TZQTWCCKIGBIIV-RKDXNWHRSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(COC(=O)c1coc(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813106191 632623264 /nfs/dbraw/zinc/62/32/64/632623264.db2.gz ADDFWLIMHLUOQA-VIFPVBQESA-N 0 3 276.248 2.164 20 5 CEBDHN CCCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106645 632624317 /nfs/dbraw/zinc/62/43/17/632624317.db2.gz FNWPQUVUOCBHOJ-JTQLQIEISA-N 0 3 251.282 2.461 20 5 CEBDHN CC(COC(=O)Cc1ccc2c(c1)CCCC2)[N+](=O)[O-] ZINC000813107948 632625001 /nfs/dbraw/zinc/62/50/01/632625001.db2.gz ZOCFEHSSUFOVDY-LLVKDONJSA-N 0 3 277.320 2.316 20 5 CEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108778 632625775 /nfs/dbraw/zinc/62/57/75/632625775.db2.gz LRMBPYYZTFMSHE-PCYYEKQGSA-N 0 3 294.263 2.207 20 5 CEBDHN CC(COC(=O)[C@@H]1CSc2ccccc21)[N+](=O)[O-] ZINC000813108151 632625885 /nfs/dbraw/zinc/62/58/85/632625885.db2.gz BJMNWPLMPWXFIN-PSASIEDQSA-N 0 3 267.306 2.084 20 5 CEBDHN Cc1nc(-c2ccccc2)oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109567 632626177 /nfs/dbraw/zinc/62/61/77/632626177.db2.gz MDUKLVBFGNYVGI-VIFPVBQESA-N 0 3 290.275 2.472 20 5 CEBDHN CC(COC(=O)CCc1ccccc1Cl)[N+](=O)[O-] ZINC000813110180 632626287 /nfs/dbraw/zinc/62/62/87/632626287.db2.gz UJKZJFGNCARDME-VIFPVBQESA-N 0 3 271.700 2.481 20 5 CEBDHN CC(COC(=O)C1CCC(F)(F)CC1)[N+](=O)[O-] ZINC000813110133 632626766 /nfs/dbraw/zinc/62/67/66/632626766.db2.gz SUJRQBANCIABPQ-ZETCQYMHSA-N 0 3 251.229 2.020 20 5 CEBDHN CSc1c(F)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112254 632627211 /nfs/dbraw/zinc/62/72/11/632627211.db2.gz DYQMBODTXDKDLE-SSDOTTSWSA-N 0 3 273.285 2.370 20 5 CEBDHN CC(COC(=O)C1(C(F)F)CCCC1)[N+](=O)[O-] ZINC000813111137 632627465 /nfs/dbraw/zinc/62/74/65/632627465.db2.gz OJPBCFSZSKVGKJ-ZETCQYMHSA-N 0 3 251.229 2.020 20 5 CEBDHN CC(COC(=O)c1cccn1Cc1cccs1)[N+](=O)[O-] ZINC000813111934 632627526 /nfs/dbraw/zinc/62/75/26/632627526.db2.gz BJNGASYDSYCPAF-JTQLQIEISA-N 0 3 294.332 2.420 20 5 CEBDHN CCCN(CC)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813111274 632627635 /nfs/dbraw/zinc/62/76/35/632627635.db2.gz FWPWRNCRKAWIBR-LLVKDONJSA-N 0 3 295.339 2.140 20 5 CEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C1CCCC1 ZINC000813114213 632628804 /nfs/dbraw/zinc/62/88/04/632628804.db2.gz NQSVYSVZGIUSRQ-JTQLQIEISA-N 0 3 295.339 2.383 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1cccc(F)c1)[N+](=O)[O-] ZINC000813115071 632629254 /nfs/dbraw/zinc/62/92/54/632629254.db2.gz KCFHYWROTIVKQI-UWVGGRQHSA-N 0 3 269.272 2.213 20 5 CEBDHN CC(COC(=O)c1cc(F)ccc1Cl)[N+](=O)[O-] ZINC000816091186 633115734 /nfs/dbraw/zinc/11/57/34/633115734.db2.gz NPXDQHKBDOVQRX-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN COc1cc([C@@H](C)NCCOCCF)cc([N+](=O)[O-])c1 ZINC000903205657 635014986 /nfs/dbraw/zinc/01/49/86/635014986.db2.gz KCHLSAOVBMQKJJ-SNVBAGLBSA-N 0 3 286.303 2.240 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCC[C@H]1CO ZINC000231308098 639845851 /nfs/dbraw/zinc/84/58/51/639845851.db2.gz CXBYKASDFOELST-JQWIXIFHSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)[C@@]1(C)CCc2ccccc21)[N+](=O)[O-] ZINC000842802471 640188384 /nfs/dbraw/zinc/18/83/84/640188384.db2.gz ZQNZXRGQRDWIDL-YGRLFVJLSA-N 0 3 263.293 2.099 20 5 CEBDHN CC(COC(=O)C[C@]1(C)CC1(Cl)Cl)[N+](=O)[O-] ZINC000835455095 640510866 /nfs/dbraw/zinc/51/08/66/640510866.db2.gz MTICKPXBNXBLCT-HTRCEHHLSA-N 0 3 270.112 2.169 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)c1ccco1 ZINC000848523100 642032308 /nfs/dbraw/zinc/03/23/08/642032308.db2.gz ZRVKUODKFYCREF-TZMCWYRMSA-N 0 3 288.303 2.498 20 5 CEBDHN CC(COC(=O)CC[C@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000851037203 642890493 /nfs/dbraw/zinc/89/04/93/642890493.db2.gz SGPYFRDITDZEDN-RQJHMYQMSA-N 0 3 270.112 2.169 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(CCCC3CC3)CC2)cn1 ZINC000877917946 650947113 /nfs/dbraw/zinc/94/71/13/650947113.db2.gz KKUHPFAKFCUMPT-UHFFFAOYSA-N 0 3 290.367 2.302 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](C(F)F)C2)cc1 ZINC000776600659 647077511 /nfs/dbraw/zinc/07/75/11/647077511.db2.gz CSQPGXNHKMBWNZ-PWSUYJOCSA-N 0 3 286.278 2.215 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1C=C[C@H](CO)C1 ZINC000873079930 649554010 /nfs/dbraw/zinc/55/40/10/649554010.db2.gz IMKRZODJWCCPQY-QWHCGFSZSA-N 0 3 276.336 2.238 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000873130382 649565184 /nfs/dbraw/zinc/56/51/84/649565184.db2.gz CVFXWJJDGXXPQQ-PWSUYJOCSA-N 0 3 288.294 2.397 20 5 CEBDHN COCCN(Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000879706677 651341892 /nfs/dbraw/zinc/34/18/92/651341892.db2.gz SVLRIKUMNCRHST-UHFFFAOYSA-N 0 3 294.351 2.222 20 5 CEBDHN CCN1CC[C@@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000882958690 652288517 /nfs/dbraw/zinc/28/85/17/652288517.db2.gz HVPZPTSJVMUXSQ-GFCCVEGCSA-N 0 3 286.335 2.071 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC1(O)CCC1 ZINC000134913454 652887267 /nfs/dbraw/zinc/88/72/67/652887267.db2.gz NUWGAHDOSUEYOY-UHFFFAOYSA-N 0 3 270.716 2.253 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C2CCCC2)CC1 ZINC000264489791 721853131 /nfs/dbraw/zinc/85/31/31/721853131.db2.gz SEODSUPTNWHVLV-UHFFFAOYSA-N 0 3 290.367 2.363 20 5 CEBDHN Cc1ccc(O[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])n1 ZINC001227222494 805882959 /nfs/dbraw/zinc/88/29/59/805882959.db2.gz PGLMIYVDNPJFGK-LLVKDONJSA-N 0 3 265.313 2.160 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@]13CCOC3)CC2 ZINC001119434931 810474952 /nfs/dbraw/zinc/47/49/52/810474952.db2.gz JERXHFZQXWWOKR-ZBFHGGJFSA-N 0 3 288.347 2.380 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncccc2Cl)C1 ZINC001168969051 811320522 /nfs/dbraw/zinc/32/05/22/811320522.db2.gz BSGBNKCTSWSUAE-NXEZZACHSA-N 0 3 269.732 2.270 20 5 CEBDHN NCc1cn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172897022 815538830 /nfs/dbraw/zinc/53/88/30/815538830.db2.gz WMYGWUMTSRHCLS-CQSZACIVSA-N 0 3 286.335 2.370 20 5 CEBDHN NCc1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC001160397282 813863945 /nfs/dbraw/zinc/86/39/45/813863945.db2.gz UHYRRLUCIOYLIZ-UHFFFAOYSA-N 0 3 279.687 2.241 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ncc2c1CCNC2 ZINC001173222034 815625922 /nfs/dbraw/zinc/62/59/22/815625922.db2.gz OPLACNWKAWBUBN-NSHDSACASA-N 0 3 286.335 2.241 20 5 CEBDHN COC[C@@H]1CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232501 815632601 /nfs/dbraw/zinc/63/26/01/815632601.db2.gz BUXFNGDLZUDCTL-FZMZJTMJSA-N 0 3 264.325 2.247 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cncc1CN ZINC001173212194 815635645 /nfs/dbraw/zinc/63/56/45/815635645.db2.gz XBFXUTWUKJVAKC-SNVBAGLBSA-N 0 3 260.297 2.054 20 5 CEBDHN CCCN(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000033394639 361777720 /nfs/dbraw/zinc/77/77/20/361777720.db2.gz QEQDDDFQZYWKCB-ALCCZGGFSA-N 0 3 264.325 2.312 20 5 CEBDHN C[C@@]1(O)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000125017801 187165962 /nfs/dbraw/zinc/16/59/62/187165962.db2.gz OEUWBGSWEKJGEB-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN COc1ccc(CN[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000040778619 361998549 /nfs/dbraw/zinc/99/85/49/361998549.db2.gz GWTUDYYJIURATC-GFCCVEGCSA-N 0 3 282.340 2.100 20 5 CEBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000080685482 344020270 /nfs/dbraw/zinc/02/02/70/344020270.db2.gz XRDLJLHILPCDFZ-UHFFFAOYSA-N 0 3 289.282 2.194 20 5 CEBDHN Cc1ccc([C@H](C)NCCn2ccnc2)cc1[N+](=O)[O-] ZINC000041119372 362019639 /nfs/dbraw/zinc/01/96/39/362019639.db2.gz GMWYRGQIGRAYPN-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000045142561 343481646 /nfs/dbraw/zinc/48/16/46/343481646.db2.gz AEAUZQZVSODSEI-UHFFFAOYSA-N 0 3 297.380 2.179 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000047687336 343520897 /nfs/dbraw/zinc/52/08/97/343520897.db2.gz LQRPSJIJQZGRFX-CYBMUJFWSA-N 0 3 264.325 2.453 20 5 CEBDHN CC(C)CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378457 343735617 /nfs/dbraw/zinc/73/56/17/343735617.db2.gz FOHAPBASSQFBPF-AWEZNQCLSA-N 0 3 291.351 2.288 20 5 CEBDHN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698176 343809168 /nfs/dbraw/zinc/80/91/68/343809168.db2.gz YVXCGURODNBGFH-ZWNOBZJWSA-N 0 3 291.351 2.314 20 5 CEBDHN CC1(C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000076014253 343876364 /nfs/dbraw/zinc/87/63/64/343876364.db2.gz IHWLQINQSUFYJU-CYBMUJFWSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ncccc1[N+](=O)[O-] ZINC000078394051 343950718 /nfs/dbraw/zinc/95/07/18/343950718.db2.gz FHNZAFSSAYBFEN-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@H](NC[C@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057173 344135143 /nfs/dbraw/zinc/13/51/43/344135143.db2.gz SQEMDSDVBWQJEQ-NHYWBVRUSA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1ccc(CN(C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000093481337 344224800 /nfs/dbraw/zinc/22/48/00/344224800.db2.gz NWBMVMNGTPANHM-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN CC(C)CC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602456646 347041473 /nfs/dbraw/zinc/04/14/73/347041473.db2.gz BQCUDWPJXQPZFJ-ZDUSSCGKSA-N 0 3 293.367 2.017 20 5 CEBDHN CCCCN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000049800151 362375332 /nfs/dbraw/zinc/37/53/32/362375332.db2.gz XQIFNIYSEHLHOL-UHFFFAOYSA-N 0 3 252.314 2.189 20 5 CEBDHN C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000401170388 344866963 /nfs/dbraw/zinc/86/69/63/344866963.db2.gz SCLFNKHZUZOBAQ-QMMMGPOBSA-N 0 3 268.292 2.024 20 5 CEBDHN CCCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401203285 344867009 /nfs/dbraw/zinc/86/70/09/344867009.db2.gz HBKBRPRKENNZJS-UHFFFAOYSA-N 0 3 282.319 2.415 20 5 CEBDHN CN(C)CCN(c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000585701963 345010981 /nfs/dbraw/zinc/01/09/81/345010981.db2.gz GPOGTGKQXZSEIT-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN C[C@@H]1CN2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000584744292 344982665 /nfs/dbraw/zinc/98/26/65/344982665.db2.gz UTUPPIFWPRDIGJ-YPMHNXCESA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cccnc1[N+](=O)[O-] ZINC000588071831 345037651 /nfs/dbraw/zinc/03/76/51/345037651.db2.gz CWJSBEJBSXFIMO-NEPJUHHUSA-N 0 3 276.340 2.053 20 5 CEBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)CCN(C2CCC2)C1 ZINC000589877296 345103965 /nfs/dbraw/zinc/10/39/65/345103965.db2.gz DDWZPOSLKCQZQT-SNVBAGLBSA-N 0 3 296.396 2.362 20 5 CEBDHN Cc1nc(N2CCN(C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000590703946 345164494 /nfs/dbraw/zinc/16/44/94/345164494.db2.gz HADDGOBRWIYTRN-NSHDSACASA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC[C@@](C)(F)C2)c1 ZINC000591442171 345255716 /nfs/dbraw/zinc/25/57/16/345255716.db2.gz LOARYVMINGKQSN-CYBMUJFWSA-N 0 3 267.304 2.041 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1C[C@H]3C[C@H]3C1)OCCO2 ZINC000591645608 345271616 /nfs/dbraw/zinc/27/16/16/345271616.db2.gz RHGSMVDVRKBLKU-PEGIJTEDSA-N 0 3 290.319 2.254 20 5 CEBDHN CC[C@H](C)C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000592375778 345347435 /nfs/dbraw/zinc/34/74/35/345347435.db2.gz ZSUKGBFLFLITKS-WCQYABFASA-N 0 3 266.341 2.482 20 5 CEBDHN CC[C@@H](C)C[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000592374716 345347519 /nfs/dbraw/zinc/34/75/19/345347519.db2.gz GYVWVTIMGJUYEM-YPMHNXCESA-N 0 3 266.341 2.482 20 5 CEBDHN CN(C)C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000097927760 232188600 /nfs/dbraw/zinc/18/86/00/232188600.db2.gz OJZTUSXLMGWIPK-UHFFFAOYSA-N 0 3 263.341 2.169 20 5 CEBDHN COC(=O)c1ccc([N+](=O)[O-])c(CSCCN(C)C)c1 ZINC000593422909 345482326 /nfs/dbraw/zinc/48/23/26/345482326.db2.gz OGDBZAVHZZBHRH-UHFFFAOYSA-N 0 3 298.364 2.176 20 5 CEBDHN CC(C)(CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503427 345639611 /nfs/dbraw/zinc/63/96/11/345639611.db2.gz VXHUUKJGBBQSHW-LBPRGKRZSA-N 0 3 264.325 2.190 20 5 CEBDHN CO[C@@](C)(CO)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594511010 345640622 /nfs/dbraw/zinc/64/06/22/345640622.db2.gz QFVFHRCYHXAYQC-OAHLLOKOSA-N 0 3 296.367 2.205 20 5 CEBDHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC2(CCC2)C1 ZINC000595254345 345748976 /nfs/dbraw/zinc/74/89/76/345748976.db2.gz MWSZXOCTBQEDKC-UHFFFAOYSA-N 0 3 275.308 2.195 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1[C@@H]3CCC[C@@H]31)OCCO2 ZINC000594985231 345722041 /nfs/dbraw/zinc/72/20/41/345722041.db2.gz ULMMXXCCNUWFCB-QHBPRCKVSA-N 0 3 290.319 2.254 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)N(C)C ZINC000595012077 345726765 /nfs/dbraw/zinc/72/67/65/345726765.db2.gz NDBFUOSPMSIVEJ-WDEREUQCSA-N 0 3 281.356 2.204 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000595034356 345732075 /nfs/dbraw/zinc/73/20/75/345732075.db2.gz WPLVMIYXJGRCFM-QCZZGDTMSA-N 0 3 294.351 2.413 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[C@H](C)O ZINC000595044935 345734200 /nfs/dbraw/zinc/73/42/00/345734200.db2.gz ALSOEMNLWKOBLK-WDEREUQCSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CN(C)C ZINC000595052725 345735409 /nfs/dbraw/zinc/73/54/09/345735409.db2.gz URHDSZXVGDXGIC-QWRGUYRKSA-N 0 3 281.356 2.204 20 5 CEBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595872649 345902773 /nfs/dbraw/zinc/90/27/73/345902773.db2.gz KIXYMAZKDPLJLY-SMDDNHRTSA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1c(CN2C[C@H](C)[C@@](C)(CO)C2)cccc1[N+](=O)[O-] ZINC000595875176 345903722 /nfs/dbraw/zinc/90/37/22/345903722.db2.gz PYVDYYQHMFDQOK-XHDPSFHLSA-N 0 3 278.352 2.354 20 5 CEBDHN CC12CC(C1)CN2CCOc1ccccc1[N+](=O)[O-] ZINC000595917597 345912570 /nfs/dbraw/zinc/91/25/70/345912570.db2.gz ZAAVOQUNCXTUOG-UHFFFAOYSA-N 0 3 262.309 2.458 20 5 CEBDHN CC[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])N1CCCC1 ZINC000596074368 345933414 /nfs/dbraw/zinc/93/34/14/345933414.db2.gz SDNQHMIHMPJUCT-JTQLQIEISA-N 0 3 298.774 2.351 20 5 CEBDHN CN1CCN(c2ccncc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251359 345981193 /nfs/dbraw/zinc/98/11/93/345981193.db2.gz RFGXGHXPHNCZLM-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN C[C@@H](O)C1(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000597235304 346157231 /nfs/dbraw/zinc/15/72/31/346157231.db2.gz XSAAGPLCAIHRHO-VLWUPBBWSA-N 0 3 262.309 2.111 20 5 CEBDHN COC(=O)[C@H]1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597245283 346160280 /nfs/dbraw/zinc/16/02/80/346160280.db2.gz ZVWXAZJHFXDODF-INJBESJKSA-N 0 3 290.319 2.149 20 5 CEBDHN COCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598912240 346433427 /nfs/dbraw/zinc/43/34/27/346433427.db2.gz USTUBPYSLUGOKT-VIFPVBQESA-N 0 3 279.296 2.251 20 5 CEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCNCC1 ZINC000598917040 346434018 /nfs/dbraw/zinc/43/40/18/346434018.db2.gz QZRQPGFWOKDGQE-UHFFFAOYSA-N 0 3 298.730 2.075 20 5 CEBDHN COc1ccc(CN[C@@]23C[C@@H]2COC3(C)C)cc1[N+](=O)[O-] ZINC000598986846 346441868 /nfs/dbraw/zinc/44/18/68/346441868.db2.gz FGBYQYDIOGVEJK-ABAIWWIYSA-N 0 3 292.335 2.261 20 5 CEBDHN C[C@@H](NCCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000336790541 365812143 /nfs/dbraw/zinc/81/21/43/365812143.db2.gz LOWPCNWJVBGPCT-SNVBAGLBSA-N 0 3 252.314 2.406 20 5 CEBDHN CN1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000600271922 346630193 /nfs/dbraw/zinc/63/01/93/346630193.db2.gz NCFJMMVFONQDMB-SECBINFHSA-N 0 3 297.742 2.072 20 5 CEBDHN CC[C@@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000602742450 347182171 /nfs/dbraw/zinc/18/21/71/347182171.db2.gz YZVVUOVWNXCCBH-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2C[C@]2(O)C1 ZINC000603090526 347285414 /nfs/dbraw/zinc/28/54/14/347285414.db2.gz VKFVNSHTUYTKFP-MJVIPROJSA-N 0 3 262.309 2.031 20 5 CEBDHN CC[C@@H](N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186107 347303329 /nfs/dbraw/zinc/30/33/29/347303329.db2.gz OXUOQBNPAZQHNR-JOYOIKCWSA-N 0 3 275.312 2.205 20 5 CEBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000604409287 347414554 /nfs/dbraw/zinc/41/45/54/347414554.db2.gz PMLHCGFRPNBQQX-UHFFFAOYSA-N 0 3 298.412 2.094 20 5 CEBDHN COC[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000610605205 347695547 /nfs/dbraw/zinc/69/55/47/347695547.db2.gz PXFIEMPCJAAKPJ-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000611370853 347770549 /nfs/dbraw/zinc/77/05/49/347770549.db2.gz SEDKWCKSBLGGEL-DTWKUNHWSA-N 0 3 287.410 2.138 20 5 CEBDHN CS[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000611370864 347770802 /nfs/dbraw/zinc/77/08/02/347770802.db2.gz ZUQQJHQGQDERJA-UWVGGRQHSA-N 0 3 287.410 2.138 20 5 CEBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351943332 219257002 /nfs/dbraw/zinc/25/70/02/219257002.db2.gz GBPPCIBVZZVIGU-STQMWFEESA-N 0 3 277.368 2.162 20 5 CEBDHN Cc1c(CN2C[C@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000351952129 219263838 /nfs/dbraw/zinc/26/38/38/219263838.db2.gz RCRJLLUFIVRNPP-RYUDHWBXSA-N 0 3 277.368 2.428 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC12CCOCC2 ZINC000618318238 348924547 /nfs/dbraw/zinc/92/45/47/348924547.db2.gz KFWWFGYNSXFEGZ-UHFFFAOYSA-N 0 3 292.335 2.229 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCSC3(CCC3)CC2)c1 ZINC000411874266 233295620 /nfs/dbraw/zinc/29/56/20/233295620.db2.gz ZNGIOOQSEAFZDZ-UHFFFAOYSA-N 0 3 296.396 2.153 20 5 CEBDHN Cc1c(CN2CCC[C@@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000412069617 233330104 /nfs/dbraw/zinc/33/01/04/233330104.db2.gz FVAOVTCWTNWAMS-OCCSQVGLSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1c(CN[C@@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000092395194 180377064 /nfs/dbraw/zinc/37/70/64/180377064.db2.gz PBKKWKWSGVBPTJ-LBPRGKRZSA-N 0 3 252.314 2.010 20 5 CEBDHN C[C@H](NCC1(O)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000130798761 365992222 /nfs/dbraw/zinc/99/22/22/365992222.db2.gz TVWWCKTWAGKDSX-JTQLQIEISA-N 0 3 250.298 2.160 20 5 CEBDHN Cn1cc(CCNCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000111158524 186362506 /nfs/dbraw/zinc/36/25/06/186362506.db2.gz ONGMCHYHYAUVLE-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000130996454 366012194 /nfs/dbraw/zinc/01/21/94/366012194.db2.gz SQQDQMJXTQYHOT-NSHDSACASA-N 0 3 260.297 2.142 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000123837022 187111254 /nfs/dbraw/zinc/11/12/54/187111254.db2.gz UBOYMRMOSXSZST-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000153160673 188067904 /nfs/dbraw/zinc/06/79/04/188067904.db2.gz IBPICQGIIIDRHJ-GHMZBOCLSA-N 0 3 282.340 2.273 20 5 CEBDHN COCCN(CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153742550 188100504 /nfs/dbraw/zinc/10/05/04/188100504.db2.gz LRWUQZLHAGKTLL-HNNXBMFYSA-N 0 3 296.367 2.233 20 5 CEBDHN COC(=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553191 283032110 /nfs/dbraw/zinc/03/21/10/283032110.db2.gz XUEZWOBYFSAOJZ-ZDUSSCGKSA-N 0 3 292.335 2.337 20 5 CEBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000451595698 283045714 /nfs/dbraw/zinc/04/57/14/283045714.db2.gz KPJSYBJJDBIUCO-OLZOCXBDSA-N 0 3 292.335 2.416 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000364986286 283152194 /nfs/dbraw/zinc/15/21/94/283152194.db2.gz LCOAZHSTFGENBS-HZMBPMFUSA-N 0 3 279.315 2.264 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@@H](O)C1 ZINC000452069666 283176798 /nfs/dbraw/zinc/17/67/98/283176798.db2.gz QJJVSPVYBMPBLT-IJLUTSLNSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000134248006 366302944 /nfs/dbraw/zinc/30/29/44/366302944.db2.gz HIPOQPPVUHSXRU-VXGBXAGGSA-N 0 3 295.314 2.009 20 5 CEBDHN Cc1ccc(CNCCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000134592956 366343830 /nfs/dbraw/zinc/34/38/30/366343830.db2.gz MGXDYFCYBUVXKC-UHFFFAOYSA-N 0 3 293.367 2.298 20 5 CEBDHN C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCN1 ZINC000136128625 366497383 /nfs/dbraw/zinc/49/73/83/366497383.db2.gz LZDXBSLCYDOSRE-ZDUSSCGKSA-N 0 3 263.297 2.066 20 5 CEBDHN CC[C@H](COC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000079741582 363626328 /nfs/dbraw/zinc/62/63/28/363626328.db2.gz MCRDTYSZOYSMBX-LLVKDONJSA-N 0 3 268.313 2.118 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCC[C@H]1O ZINC000579610974 366674121 /nfs/dbraw/zinc/67/41/21/366674121.db2.gz FSRNPUDSUQONJD-GZBFAFLISA-N 0 3 276.336 2.475 20 5 CEBDHN CC(C)N1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000339116460 366659722 /nfs/dbraw/zinc/65/97/22/366659722.db2.gz MALINKGGXAZXBN-LLVKDONJSA-N 0 3 252.318 2.054 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(C)C)C2)n1 ZINC000178188573 189096423 /nfs/dbraw/zinc/09/64/23/189096423.db2.gz JPGUKFBMFSRXEE-NSHDSACASA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000178226227 189099286 /nfs/dbraw/zinc/09/92/86/189099286.db2.gz WSXVMNAPEZGWJF-GFCCVEGCSA-N 0 3 278.356 2.076 20 5 CEBDHN O=[N+]([O-])c1ccn(CCNC2(c3cccc(F)c3)CC2)n1 ZINC000179681866 189212935 /nfs/dbraw/zinc/21/29/35/189212935.db2.gz GPXUBQOYFJWELT-UHFFFAOYSA-N 0 3 290.298 2.209 20 5 CEBDHN C[C@@H](NC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000083739394 363786242 /nfs/dbraw/zinc/78/62/42/363786242.db2.gz FOPGIMMVJZCOLC-GHMZBOCLSA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1ccc(CNCC2(C)COC2)cc1[N+](=O)[O-] ZINC000083522956 363778213 /nfs/dbraw/zinc/77/82/13/363778213.db2.gz NWKGVVLKSIDMRQ-UHFFFAOYSA-N 0 3 250.298 2.029 20 5 CEBDHN COC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183291945 189353745 /nfs/dbraw/zinc/35/37/45/189353745.db2.gz ZYRWFAWLQQGONA-NSHDSACASA-N 0 3 252.314 2.370 20 5 CEBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000029092063 361680659 /nfs/dbraw/zinc/68/06/59/361680659.db2.gz AQWQXYRCJCJQDY-UHFFFAOYSA-N 0 3 295.364 2.013 20 5 CEBDHN Cc1noc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000089517943 363975480 /nfs/dbraw/zinc/97/54/80/363975480.db2.gz OAJODARIMHCNTE-SNVBAGLBSA-N 0 3 290.323 2.488 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC2CCN(CC(F)F)CC2)cc1 ZINC000237773530 370750923 /nfs/dbraw/zinc/75/09/23/370750923.db2.gz MIKCNHXOCXJSBS-UHFFFAOYSA-N 0 3 299.321 2.414 20 5 CEBDHN COCC[C@@H](COC)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572059666 299342581 /nfs/dbraw/zinc/34/25/81/299342581.db2.gz GSAUVIGSIRDOIK-FZMZJTMJSA-N 0 3 294.351 2.223 20 5 CEBDHN C[C@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C ZINC000572082391 299344058 /nfs/dbraw/zinc/34/40/58/299344058.db2.gz NJHMTEXQCANHDN-WDEREUQCSA-N 0 3 290.367 2.457 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C ZINC000572082389 299344164 /nfs/dbraw/zinc/34/41/64/299344164.db2.gz NJHMTEXQCANHDN-MNOVXSKESA-N 0 3 290.367 2.457 20 5 CEBDHN COCCN1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275518048 193065125 /nfs/dbraw/zinc/06/51/25/193065125.db2.gz WCINMLBPBKBKFE-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN COc1ccc(CN2CCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000159210595 366889743 /nfs/dbraw/zinc/88/97/43/366889743.db2.gz GYIDNWCYJYTERA-WCQYABFASA-N 0 3 294.351 2.339 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341072453 367158611 /nfs/dbraw/zinc/15/86/11/367158611.db2.gz SXWLYHJHADQGRU-PHIMTYICSA-N 0 3 295.339 2.181 20 5 CEBDHN C[C@@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168131061 367347292 /nfs/dbraw/zinc/34/72/92/367347292.db2.gz DLDZRWNRHOAWAN-IUCAKERBSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@@H](CN(C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000169015717 367365198 /nfs/dbraw/zinc/36/51/98/367365198.db2.gz PYZGOVDMSWYXEL-ZETCQYMHSA-N 0 3 258.709 2.005 20 5 CEBDHN CCCN(CCN1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343351104 367767613 /nfs/dbraw/zinc/76/76/13/367767613.db2.gz DLXRGDXDJICPBE-UHFFFAOYSA-N 0 3 295.387 2.031 20 5 CEBDHN Cc1ccnc(N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343473778 367835581 /nfs/dbraw/zinc/83/55/81/367835581.db2.gz LDCZBHIAQWMQFO-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(C)[C@H]1C ZINC000343479161 367838823 /nfs/dbraw/zinc/83/88/23/367838823.db2.gz QNCBZRRHCYKRIT-CMPLNLGQSA-N 0 3 264.329 2.193 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCn1ccnc1)CCC2 ZINC000192604410 369833588 /nfs/dbraw/zinc/83/35/88/369833588.db2.gz FXGLOBIEUGANHS-HNNXBMFYSA-N 0 3 286.335 2.459 20 5 CEBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000192191326 369779123 /nfs/dbraw/zinc/77/91/23/369779123.db2.gz OUXGLOGNGTVJIR-RISCZKNCSA-N 0 3 296.392 2.456 20 5 CEBDHN C[C@H]1CCCN(CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192779006 369853032 /nfs/dbraw/zinc/85/30/32/369853032.db2.gz PETYXZCDAMOFOM-NSHDSACASA-N 0 3 278.356 2.321 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CSC[C@@H]1C ZINC000352791827 369879391 /nfs/dbraw/zinc/87/93/91/369879391.db2.gz JFLUUHBCBCISKJ-CABZTGNLSA-N 0 3 282.365 2.445 20 5 CEBDHN COc1ccc(CN[C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000352910162 369944987 /nfs/dbraw/zinc/94/49/87/369944987.db2.gz KAGZIYGAMQZQBQ-AWEZNQCLSA-N 0 3 282.340 2.100 20 5 CEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000195308133 370124276 /nfs/dbraw/zinc/12/42/76/370124276.db2.gz BOBUVVWCRPKVLF-UHFFFAOYSA-N 0 3 289.335 2.408 20 5 CEBDHN CS[C@H](CO)[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000219059639 370218150 /nfs/dbraw/zinc/21/81/50/370218150.db2.gz VWOIIBJESNFCEP-ZWNOBZJWSA-N 0 3 284.381 2.105 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCSC1 ZINC000223190983 370260954 /nfs/dbraw/zinc/26/09/54/370260954.db2.gz REQKWALUFRJCBB-SNVBAGLBSA-N 0 3 268.338 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1F ZINC000236247037 370586007 /nfs/dbraw/zinc/58/60/07/370586007.db2.gz MVICCQZXZBTJHC-TZMCWYRMSA-N 0 3 280.299 2.391 20 5 CEBDHN CC(C)CN(Cc1c([N+](=O)[O-])ncn1C)CC(C)C ZINC000355807581 370616055 /nfs/dbraw/zinc/61/60/55/370616055.db2.gz ZXORMVJMCWBPAJ-UHFFFAOYSA-N 0 3 268.361 2.442 20 5 CEBDHN C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000247028637 371050534 /nfs/dbraw/zinc/05/05/34/371050534.db2.gz UVWUQKRKSUHTLB-QWRGUYRKSA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1ccc([C@H](C)NCCN2CCC2)cc1[N+](=O)[O-] ZINC000358340399 371022734 /nfs/dbraw/zinc/02/27/34/371022734.db2.gz LCVCLJIYMGXNHT-LBPRGKRZSA-N 0 3 263.341 2.260 20 5 CEBDHN CC[C@@H](NCC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287308410 376203551 /nfs/dbraw/zinc/20/35/51/376203551.db2.gz LCYFPTOBJIIJSU-CQSZACIVSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CCCN2C)n1 ZINC000359102015 371337218 /nfs/dbraw/zinc/33/72/18/371337218.db2.gz GCGAMILQBRXAKW-LLVKDONJSA-N 0 3 264.329 2.113 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000361047418 371619715 /nfs/dbraw/zinc/61/97/15/371619715.db2.gz XPDNCQIZLCPEDQ-CABZTGNLSA-N 0 3 293.371 2.014 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCNC[C@@H]2c2ccncc2)c1 ZINC000262136178 371829329 /nfs/dbraw/zinc/82/93/29/371829329.db2.gz YRGZHHGFZPVTRH-MRXNPFEDSA-N 0 3 298.346 2.136 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000268883719 372271176 /nfs/dbraw/zinc/27/11/76/372271176.db2.gz YHLXVSYPRBJRKE-ZDUSSCGKSA-N 0 3 272.308 2.485 20 5 CEBDHN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000353389390 220059275 /nfs/dbraw/zinc/05/92/75/220059275.db2.gz VSWSCRGHSWXHQU-LLVKDONJSA-N 0 3 252.314 2.186 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC[C@@H](C)CO ZINC000270307875 372735272 /nfs/dbraw/zinc/73/52/72/372735272.db2.gz UJNYTJUQTQXBMM-GFCCVEGCSA-N 0 3 296.367 2.492 20 5 CEBDHN CCNC(=O)[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344870150 217340179 /nfs/dbraw/zinc/34/01/79/217340179.db2.gz XKOMUUJAWMJKRA-OBIHZWKSSA-N 0 3 291.351 2.112 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](O)C2(CC2)C1 ZINC000368409858 373237605 /nfs/dbraw/zinc/23/76/05/373237605.db2.gz HTCDWKYIPOWRPO-BXUZGUMPSA-N 0 3 276.336 2.421 20 5 CEBDHN CC(C)N(CCN(C)C)c1nc2sccn2c1[N+](=O)[O-] ZINC000274319139 373878693 /nfs/dbraw/zinc/87/86/93/373878693.db2.gz CLJAQIIUWUYPEW-UHFFFAOYSA-N 0 3 297.384 2.080 20 5 CEBDHN CCOc1cc(CN(C)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000276954645 374358294 /nfs/dbraw/zinc/35/82/94/374358294.db2.gz USJBYJJZEWRLHZ-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H](CO)C2)c1 ZINC000374051576 374473958 /nfs/dbraw/zinc/47/39/58/374473958.db2.gz RWSDIPYYOXZMMP-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H](CO)C1 ZINC000374051454 374474227 /nfs/dbraw/zinc/47/42/27/374474227.db2.gz RKCKSLQRDRGKJF-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN CN(CCNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000278310554 374777125 /nfs/dbraw/zinc/77/71/25/374777125.db2.gz HDVYBXRGGNTGRE-UHFFFAOYSA-N 0 3 276.340 2.069 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000385857997 375246218 /nfs/dbraw/zinc/24/62/18/375246218.db2.gz YYWYMAVNIBPZCA-BXUZGUMPSA-N 0 3 294.351 2.196 20 5 CEBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000287148846 376161525 /nfs/dbraw/zinc/16/15/25/376161525.db2.gz GDQDWZLMPDSDQC-UHFFFAOYSA-N 0 3 291.351 2.329 20 5 CEBDHN Cc1cc(N2CCNC[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420217003 376624313 /nfs/dbraw/zinc/62/43/13/376624313.db2.gz HFNXWPXBNYXEGF-NSHDSACASA-N 0 3 286.335 2.250 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000313417913 376744727 /nfs/dbraw/zinc/74/47/27/376744727.db2.gz WSMUFDBPTZXJKM-UHFFFAOYSA-N 0 3 281.360 2.017 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN1CCCC1 ZINC000331336829 377385763 /nfs/dbraw/zinc/38/57/63/377385763.db2.gz ZDBWLQOFEFSPTK-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000332487116 377622322 /nfs/dbraw/zinc/62/23/22/377622322.db2.gz QVNPFNBAZDJKSH-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCCN(C)C1 ZINC000266024360 190224372 /nfs/dbraw/zinc/22/43/72/190224372.db2.gz RMJNOOJJSNYUMB-LBPRGKRZSA-N 0 3 278.356 2.076 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000295286498 378086658 /nfs/dbraw/zinc/08/66/58/378086658.db2.gz TVVNGXHXLIIRBL-LBPRGKRZSA-N 0 3 268.288 2.391 20 5 CEBDHN CN(C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])nc1 ZINC000450382527 378385356 /nfs/dbraw/zinc/38/53/56/378385356.db2.gz XIVHBEVPPHXGBK-UHFFFAOYSA-N 0 3 290.323 2.151 20 5 CEBDHN C[C@H](NC[C@@H](O)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000296737185 378632937 /nfs/dbraw/zinc/63/29/37/378632937.db2.gz OPHSFBUXBAHAMA-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN COC[C@@]1(C)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000296642555 378603308 /nfs/dbraw/zinc/60/33/08/378603308.db2.gz IJNYPPSLJXRBAC-HNNXBMFYSA-N 0 3 294.351 2.332 20 5 CEBDHN COC1([C@@H](C)NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000453156530 378821541 /nfs/dbraw/zinc/82/15/41/378821541.db2.gz WYZFVXCCLYBEAX-GFCCVEGCSA-N 0 3 294.351 2.269 20 5 CEBDHN COC[C@@](C)(O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268693 378850213 /nfs/dbraw/zinc/85/02/13/378850213.db2.gz ZXSOJJJGJYSBEV-WFASDCNBSA-N 0 3 296.367 2.341 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454362719 378999152 /nfs/dbraw/zinc/99/91/52/378999152.db2.gz LHDIVUOABUIZMX-UHFFFAOYSA-N 0 3 280.328 2.057 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C1CC(O)C1 ZINC000347375227 218211820 /nfs/dbraw/zinc/21/18/20/218211820.db2.gz OITXLDPMPOHZFH-IZZDOVSWSA-N 0 3 276.336 2.453 20 5 CEBDHN Cc1c([C@H](C)NC[C@@]2(O)CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278693002 194106230 /nfs/dbraw/zinc/10/62/30/194106230.db2.gz GXUQGUZXDSWLLF-ZOWXZIJZSA-N 0 3 294.351 2.094 20 5 CEBDHN CCOCC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278736659 194131343 /nfs/dbraw/zinc/13/13/43/194131343.db2.gz LLNCDYGTCMSALR-RISCZKNCSA-N 0 3 282.340 2.033 20 5 CEBDHN COc1ccc(CN(C)[C@H]2C[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000510139408 379116791 /nfs/dbraw/zinc/11/67/91/379116791.db2.gz JOOPCEFPWNUOQA-TXEJJXNPSA-N 0 3 280.324 2.213 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347479124 218250705 /nfs/dbraw/zinc/25/07/05/218250705.db2.gz RHMAHETXZWIMPJ-LLVKDONJSA-N 0 3 282.340 2.196 20 5 CEBDHN Cc1ncc2c(n1)CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000523702005 379604721 /nfs/dbraw/zinc/60/47/21/379604721.db2.gz OIKZRLOLOHONNR-UHFFFAOYSA-N 0 3 298.346 2.294 20 5 CEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000457118459 379677980 /nfs/dbraw/zinc/67/79/80/379677980.db2.gz MZHXJSXHNUPMPA-GFCCVEGCSA-N 0 3 291.351 2.150 20 5 CEBDHN CC(C)(O)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000305196199 379682011 /nfs/dbraw/zinc/68/20/11/379682011.db2.gz UBEKPRHOMHEWMF-CYBMUJFWSA-N 0 3 264.325 2.330 20 5 CEBDHN CC(C)N(C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268098151 190376416 /nfs/dbraw/zinc/37/64/16/190376416.db2.gz ABUWNDGBSABLQZ-UHFFFAOYSA-N 0 3 299.758 2.205 20 5 CEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000268167089 190382782 /nfs/dbraw/zinc/38/27/82/190382782.db2.gz PTMRZLGBGBUCSE-GXFFZTMASA-N 0 3 261.325 2.489 20 5 CEBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489468909 380194277 /nfs/dbraw/zinc/19/42/77/380194277.db2.gz YLKLAXCNDCUKSY-TZMCWYRMSA-N 0 3 294.351 2.065 20 5 CEBDHN C[C@@H]1CCN(CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000540802470 380257303 /nfs/dbraw/zinc/25/73/03/380257303.db2.gz GCWGXUGALAEKDL-SNVBAGLBSA-N 0 3 269.370 2.088 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@]2(N(C)C)CCSC2)n1 ZINC000268792931 190433661 /nfs/dbraw/zinc/43/36/61/190433661.db2.gz GWBFXRGMDYBDQV-ZDUSSCGKSA-N 0 3 296.396 2.147 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCCC3)C2)c(F)c1 ZINC000408472749 285176212 /nfs/dbraw/zinc/17/62/12/285176212.db2.gz WUCLPSDKFSIUAQ-LLVKDONJSA-N 0 3 294.330 2.194 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN3CCCC[C@@H]23)s1 ZINC000226771477 285180713 /nfs/dbraw/zinc/18/07/13/285180713.db2.gz VZSNNWJAUVNOMI-BDAKNGLRSA-N 0 3 268.342 2.090 20 5 CEBDHN O=[N+]([O-])c1cnc2ccccc2c1N1CCN2CCC[C@@H]2C1 ZINC000291707386 285186772 /nfs/dbraw/zinc/18/67/72/285186772.db2.gz VEEFXWVUZNUHSN-GFCCVEGCSA-N 0 3 298.346 2.427 20 5 CEBDHN C[C@H](NC[C@@H]1CCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000251582421 131130762 /nfs/dbraw/zinc/13/07/62/131130762.db2.gz WJQBFVZGGMQDRO-VHRBIJSZSA-N 0 3 264.325 2.406 20 5 CEBDHN CC(C)N1CCCC[C@H]1Cn1nccc1[N+](=O)[O-] ZINC000412989005 394452959 /nfs/dbraw/zinc/45/29/59/394452959.db2.gz DWEJOJWMTHQTQY-NSHDSACASA-N 0 3 252.318 2.054 20 5 CEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356853624 394631393 /nfs/dbraw/zinc/63/13/93/394631393.db2.gz SJVPJBLCDAHOSC-YPMHNXCESA-N 0 3 264.325 2.500 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000357041636 394690628 /nfs/dbraw/zinc/69/06/28/394690628.db2.gz PEUFHTWYQWPOGE-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000115434756 394754503 /nfs/dbraw/zinc/75/45/03/394754503.db2.gz RXELBNAYMMNTRE-GFCCVEGCSA-N 0 3 291.351 2.009 20 5 CEBDHN CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132098240 394924911 /nfs/dbraw/zinc/92/49/11/394924911.db2.gz ZLMFRXSVAPXVGZ-CYBMUJFWSA-N 0 3 293.367 2.269 20 5 CEBDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423482806 394930442 /nfs/dbraw/zinc/93/04/42/394930442.db2.gz RBLQMRDDSWDBGX-BXKDBHETSA-N 0 3 285.294 2.243 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846722 395001328 /nfs/dbraw/zinc/00/13/28/395001328.db2.gz NXOSBMQCMDHBKZ-PELKAZGASA-N 0 3 299.758 2.238 20 5 CEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230880 395017681 /nfs/dbraw/zinc/01/76/81/395017681.db2.gz DQWYDONKXQDSFZ-RYUDHWBXSA-N 0 3 276.340 2.053 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000342609284 395018272 /nfs/dbraw/zinc/01/82/72/395018272.db2.gz UYOPRKHCQSBCIQ-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN CC(C)(O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179384158 395192415 /nfs/dbraw/zinc/19/24/15/395192415.db2.gz KKRQLCKLQPNEGZ-UHFFFAOYSA-N 0 3 264.325 2.330 20 5 CEBDHN CC[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192592958 395387642 /nfs/dbraw/zinc/38/76/42/395387642.db2.gz QYNBFJOOHUEPDE-RISCZKNCSA-N 0 3 264.325 2.333 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCOC1(C)C ZINC000451241498 395597753 /nfs/dbraw/zinc/59/77/53/395597753.db2.gz LBETUBOVCSTNKT-ZDUSSCGKSA-N 0 3 280.324 2.261 20 5 CEBDHN CCCC[C@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000225865178 153331465 /nfs/dbraw/zinc/33/14/65/153331465.db2.gz PSOGEMYQHWIVER-JTQLQIEISA-N 0 3 281.312 2.059 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](O)C2(CC2)C1 ZINC000368409859 292297130 /nfs/dbraw/zinc/29/71/30/292297130.db2.gz HTCDWKYIPOWRPO-FZMZJTMJSA-N 0 3 276.336 2.421 20 5 CEBDHN COCCN1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266940363 154137922 /nfs/dbraw/zinc/13/79/22/154137922.db2.gz AVSYOHQQNMXGHU-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ccn(C)n1 ZINC000358256582 154543236 /nfs/dbraw/zinc/54/32/36/154543236.db2.gz UHDCDUNMPVUQHZ-LBPRGKRZSA-N 0 3 288.351 2.439 20 5 CEBDHN C[C@@H](F)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514742 156198197 /nfs/dbraw/zinc/19/81/97/156198197.db2.gz OTZDGYUYSCYYAR-GHMZBOCLSA-N 0 3 270.308 2.176 20 5 CEBDHN C[C@H](F)CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514745 156198746 /nfs/dbraw/zinc/19/87/46/156198746.db2.gz OTZDGYUYSCYYAR-WDEREUQCSA-N 0 3 270.308 2.176 20 5 CEBDHN CC[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020196073 171061406 /nfs/dbraw/zinc/06/14/06/171061406.db2.gz OWSRVUJAROWMOW-ZYHUDNBSSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000285754010 196387887 /nfs/dbraw/zinc/38/78/87/196387887.db2.gz VTCKYQMVRPEAEF-IUCAKERBSA-N 0 3 286.278 2.388 20 5 CEBDHN COC(=O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037415952 173192616 /nfs/dbraw/zinc/19/26/16/173192616.db2.gz GJGGVLGEVILKFC-JTQLQIEISA-N 0 3 266.297 2.199 20 5 CEBDHN C[C@H]1CCCCN1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044533134 175197668 /nfs/dbraw/zinc/19/76/68/175197668.db2.gz JHJYICHLNIHDHC-JTQLQIEISA-N 0 3 297.380 2.261 20 5 CEBDHN C[C@@H](CN1CCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000078428150 177340909 /nfs/dbraw/zinc/34/09/09/177340909.db2.gz WYWZLGWWAUZVNU-JTQLQIEISA-N 0 3 297.380 2.261 20 5 CEBDHN Cc1ccc(CNCCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395892223 270348427 /nfs/dbraw/zinc/34/84/27/270348427.db2.gz SDAMQZDTAMMYLC-UHFFFAOYSA-N 0 3 264.325 2.155 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCn1cccn1)CCC2 ZINC000192973275 275037921 /nfs/dbraw/zinc/03/79/21/275037921.db2.gz SWAOGOQCQWRYPQ-HNNXBMFYSA-N 0 3 286.335 2.459 20 5 CEBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000143647015 277030667 /nfs/dbraw/zinc/03/06/67/277030667.db2.gz ONDIKXHFJUEIAW-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000227648406 277031820 /nfs/dbraw/zinc/03/18/20/277031820.db2.gz OBPKVVADWQQMAJ-UHFFFAOYSA-N 0 3 270.720 2.149 20 5 CEBDHN CO[C@](C)(CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000291096850 277357377 /nfs/dbraw/zinc/35/73/77/277357377.db2.gz YYQOIAWQQDBISE-CQSZACIVSA-N 0 3 264.325 2.500 20 5 CEBDHN COC(C)(C)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000310663726 277459658 /nfs/dbraw/zinc/45/96/58/277459658.db2.gz XVYGFEBIHVIMPJ-SNVBAGLBSA-N 0 3 252.314 2.498 20 5 CEBDHN COCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192593540 277535309 /nfs/dbraw/zinc/53/53/09/277535309.db2.gz VDZDUTKQNVTGIS-CYBMUJFWSA-N 0 3 250.298 2.208 20 5 CEBDHN COc1cccc(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000249297941 278016799 /nfs/dbraw/zinc/01/67/99/278016799.db2.gz NGKBOBQNLVLIKT-NEPJUHHUSA-N 0 3 291.351 2.276 20 5 CEBDHN CCCN(CCN1CCCC1)c1ncccc1[N+](=O)[O-] ZINC000286355686 278787432 /nfs/dbraw/zinc/78/74/32/278787432.db2.gz MUCIHMZUNQFXOY-UHFFFAOYSA-N 0 3 278.356 2.302 20 5 CEBDHN C[C@H]1CC(O)C[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000191279324 279639897 /nfs/dbraw/zinc/63/98/97/279639897.db2.gz JKHSZDWMDWJSRI-RYUDHWBXSA-N 0 3 278.352 2.371 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CCCN(C)C2)n1 ZINC000408171850 280398364 /nfs/dbraw/zinc/39/83/64/280398364.db2.gz ONROJSPVBBWVPP-LBPRGKRZSA-N 0 3 278.356 2.137 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C1CC(O)C1 ZINC000332419957 281019689 /nfs/dbraw/zinc/01/96/89/281019689.db2.gz BKOVCORUTUSVHU-QFWMXSHPSA-N 0 3 264.325 2.419 20 5 CEBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H]1CCC[C@H]1CCO ZINC000429762420 281253016 /nfs/dbraw/zinc/25/30/16/281253016.db2.gz PUBLHPWGQAEREC-GWCFXTLKSA-N 0 3 282.315 2.375 20 5 CEBDHN C[C@@H](SCCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000446563196 281765319 /nfs/dbraw/zinc/76/53/19/281765319.db2.gz FMQKFCFZUKENAJ-SNVBAGLBSA-N 0 3 297.380 2.217 20 5 CEBDHN C[C@H](O)[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000272650207 290159355 /nfs/dbraw/zinc/15/93/55/290159355.db2.gz ZCAOFGMDUCKLBN-SDDRHHMPSA-N 0 3 264.325 2.359 20 5 CEBDHN CC(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000487983374 290372166 /nfs/dbraw/zinc/37/21/66/290372166.db2.gz UWIIEXKBFLECHL-HNNXBMFYSA-N 0 3 277.368 2.367 20 5 CEBDHN COC(C)(C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000532340732 298141712 /nfs/dbraw/zinc/14/17/12/298141712.db2.gz QMLMSYCEHCGVNX-UHFFFAOYSA-N 0 3 282.340 2.330 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)CC(F)F ZINC000566476240 298992066 /nfs/dbraw/zinc/99/20/66/298992066.db2.gz VJGBJSLFLIMSQI-KCJUWKMLSA-N 0 3 286.278 2.188 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CCN(C)C[C@H]2C)n1 ZINC000408168915 301202745 /nfs/dbraw/zinc/20/27/45/301202745.db2.gz JXHTZPNUXUOQQS-YPMHNXCESA-N 0 3 292.383 2.383 20 5 CEBDHN Cc1cnc(N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000189081882 302349338 /nfs/dbraw/zinc/34/93/38/302349338.db2.gz YSAXZPZCYRYGRJ-CYBMUJFWSA-N 0 3 290.367 2.363 20 5 CEBDHN Cc1cnc(N2CCC[C@H]3CN(C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269107884 302350786 /nfs/dbraw/zinc/35/07/86/302350786.db2.gz VIUARJOKVXUWGO-STQMWFEESA-N 0 3 290.367 2.219 20 5 CEBDHN C/C=C\C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000349856381 312900898 /nfs/dbraw/zinc/90/08/98/312900898.db2.gz RZOSOWWOXLIAKX-ZZKXABKFSA-N 0 3 250.298 2.012 20 5 CEBDHN CCC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548783704 313575817 /nfs/dbraw/zinc/57/58/17/313575817.db2.gz STOMLNXXKKZZON-GFCCVEGCSA-N 0 3 278.356 2.300 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CCCO1 ZINC000563638711 313747144 /nfs/dbraw/zinc/74/71/44/313747144.db2.gz SCDXNFCYGKKELG-MFKMUULPSA-N 0 3 262.309 2.351 20 5 CEBDHN C/C=C/C[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576478766 314281097 /nfs/dbraw/zinc/28/10/97/314281097.db2.gz BFNSOVKDHHJDPG-OIUHTZQUSA-N 0 3 276.336 2.499 20 5 CEBDHN C[C@@H]1C[C@H](CNCc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414513129 533872098 /nfs/dbraw/zinc/87/20/98/533872098.db2.gz JSAITIZYFMJQRX-NQBHXWOUSA-N 0 3 264.325 2.498 20 5 CEBDHN COc1cc(CN[C@@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000355013756 533894006 /nfs/dbraw/zinc/89/40/06/533894006.db2.gz OLOIHOKQOFSZRZ-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN CCC[C@@H](N[C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000161358773 520789255 /nfs/dbraw/zinc/78/92/55/520789255.db2.gz HXZANXLDRAYDBS-GXFFZTMASA-N 0 3 279.340 2.290 20 5 CEBDHN CO[C@@H](CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000292921352 523537926 /nfs/dbraw/zinc/53/79/26/523537926.db2.gz GELQMOGBJJKSME-ZDUSSCGKSA-N 0 3 250.298 2.109 20 5 CEBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656063 525495739 /nfs/dbraw/zinc/49/57/39/525495739.db2.gz BHIPNJJCCDORSU-ABAIWWIYSA-N 0 3 287.319 2.374 20 5 CEBDHN Cc1c([C@@H](C)N[C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000184312171 525903023 /nfs/dbraw/zinc/90/30/23/525903023.db2.gz UQPBCDLSYGIUIA-UYKLKCEZSA-N 0 3 284.381 2.321 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCCCC[C@H]32)n1 ZINC000366099615 527406930 /nfs/dbraw/zinc/40/69/30/527406930.db2.gz UPATXTPUWIPKSP-NWDGAFQWSA-N 0 3 264.329 2.056 20 5 CEBDHN CC1(C)CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191306340 535309821 /nfs/dbraw/zinc/30/98/21/535309821.db2.gz TXLHGEQEGTXABB-CYBMUJFWSA-N 0 3 291.351 2.362 20 5 CEBDHN C[C@@H]1CCCN1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000743813292 575109724 /nfs/dbraw/zinc/10/97/24/575109724.db2.gz NDCDRCNHMJEZAV-LLVKDONJSA-N 0 3 292.339 2.201 20 5 CEBDHN C[C@@H]1CCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000743813305 575109753 /nfs/dbraw/zinc/10/97/53/575109753.db2.gz NJXNLKPPIFBJFK-LLVKDONJSA-N 0 3 292.339 2.201 20 5 CEBDHN C[C@@H](Cc1cnccn1)NCc1cccc([N+](=O)[O-])c1 ZINC000748820808 575197982 /nfs/dbraw/zinc/19/79/82/575197982.db2.gz VVEBXDUHXZSNQW-NSHDSACASA-N 0 3 272.308 2.106 20 5 CEBDHN Cc1cccc(C)c1OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109892 623043623 /nfs/dbraw/zinc/04/36/23/623043623.db2.gz QANBVDQZJYFJQS-LBPRGKRZSA-N 0 3 281.308 2.281 20 5 CEBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000235608700 625672854 /nfs/dbraw/zinc/67/28/54/625672854.db2.gz DWWQSYYWRGZRDP-NOZJJQNGSA-N 0 3 268.288 2.391 20 5 CEBDHN CN1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042545418 634495811 /nfs/dbraw/zinc/49/58/11/634495811.db2.gz MBKMJOHZPHSYRR-JTQLQIEISA-N 0 3 269.732 2.042 20 5 CEBDHN CN1C[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941111 629055676 /nfs/dbraw/zinc/05/56/76/629055676.db2.gz QTLGBMLPDRNZNX-NOZJJQNGSA-N 0 3 281.743 2.389 20 5 CEBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CCN1C1CCOCC1 ZINC000896515575 630586808 /nfs/dbraw/zinc/58/68/08/630586808.db2.gz FTTJXSKFTZVXKX-CYBMUJFWSA-N 0 3 291.351 2.260 20 5 CEBDHN COc1c(O)ccc(CN[C@H](C)C(C)(C)OC)c1[N+](=O)[O-] ZINC000896609143 630611560 /nfs/dbraw/zinc/61/15/60/630611560.db2.gz WUNYKNUGJMQZMR-SECBINFHSA-N 0 3 298.339 2.212 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C(C)(C)OC)c1[N+](=O)[O-] ZINC000896609143 630611566 /nfs/dbraw/zinc/61/15/66/630611566.db2.gz WUNYKNUGJMQZMR-SECBINFHSA-N 0 3 298.339 2.212 20 5 CEBDHN CC1(C)CCN(CCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000897248547 631015715 /nfs/dbraw/zinc/01/57/15/631015715.db2.gz QTIZRECZHVPKOP-UHFFFAOYSA-N 0 3 282.319 2.273 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000813102688 632621959 /nfs/dbraw/zinc/62/19/59/632621959.db2.gz IUCIHVHKQMQFTB-JFUSQASVSA-N 0 3 267.256 2.138 20 5 CEBDHN CCC(CC)n1nc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813103963 632622616 /nfs/dbraw/zinc/62/26/16/632622616.db2.gz VGHUGVVENYJJCW-SNVBAGLBSA-N 0 3 283.328 2.375 20 5 CEBDHN CC(C)Oc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105130 632623388 /nfs/dbraw/zinc/62/33/88/632623388.db2.gz WAVOCCXYTDWPGQ-LLVKDONJSA-N 0 3 281.308 2.225 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000813105384 632623901 /nfs/dbraw/zinc/62/39/01/632623901.db2.gz YJCFPXSIIPMTQD-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN CC(C)COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106463 632624486 /nfs/dbraw/zinc/62/44/86/632624486.db2.gz CZWIQONMQDDNEY-GFCCVEGCSA-N 0 3 295.335 2.472 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCCCC2=O)[N+](=O)[O-] ZINC000813108942 632625865 /nfs/dbraw/zinc/62/58/65/632625865.db2.gz MRBUGMQLZBNEIG-SNVBAGLBSA-N 0 3 291.303 2.418 20 5 CEBDHN CC(COC(=O)CO[C@@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813110875 632627277 /nfs/dbraw/zinc/62/72/77/632627277.db2.gz LGOPJEPQLAIHBQ-SMDDNHRTSA-N 0 3 293.319 2.289 20 5 CEBDHN COc1ccc(C2(C(=O)OCC(C)[N+](=O)[O-])CCC2)cc1 ZINC000813111704 632627490 /nfs/dbraw/zinc/62/74/90/632627490.db2.gz KJLSQKUUYCUNSG-NSHDSACASA-N 0 3 293.319 2.325 20 5 CEBDHN COc1ccc(CCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112104 632627803 /nfs/dbraw/zinc/62/78/03/632627803.db2.gz ZPVCONSTLMQSPA-LLVKDONJSA-N 0 3 281.308 2.226 20 5 CEBDHN CCCN(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113634 632628754 /nfs/dbraw/zinc/62/87/54/632628754.db2.gz RYMNISRKZJHOQA-LLVKDONJSA-N 0 3 280.324 2.355 20 5 CEBDHN Cc1ccc(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114738 632629401 /nfs/dbraw/zinc/62/94/01/632629401.db2.gz VZHOTCCXCCTUDE-VXGBXAGGSA-N 0 3 265.309 2.382 20 5 CEBDHN CC(COC(=O)c1cc2c(s1)CCC2)[N+](=O)[O-] ZINC000813115558 632629434 /nfs/dbraw/zinc/62/94/34/632629434.db2.gz VDSCDCZEFKWTRE-ZETCQYMHSA-N 0 3 255.295 2.059 20 5 CEBDHN Cc1cc(C)c(OCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813115297 632629599 /nfs/dbraw/zinc/62/95/99/632629599.db2.gz OOQDOYGWYBGWTQ-LBPRGKRZSA-N 0 3 281.308 2.199 20 5 CEBDHN C[C@@H](N[C@H]1C[C@@H]1C(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625713 633039979 /nfs/dbraw/zinc/03/99/79/633039979.db2.gz KPOJPFFQSAULND-PMVVWTBXSA-N 0 3 271.267 2.481 20 5 CEBDHN COc1cc(Cl)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000816090934 633115717 /nfs/dbraw/zinc/11/57/17/633115717.db2.gz DNZTXSYKNIGUDK-ZETCQYMHSA-N 0 3 273.672 2.171 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000817131512 633590351 /nfs/dbraw/zinc/59/03/51/633590351.db2.gz BNJGFHHUEZUSGO-JTQLQIEISA-N 0 3 294.311 2.033 20 5 CEBDHN CC(C)NCc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399697 634078467 /nfs/dbraw/zinc/07/84/67/634078467.db2.gz VJBXOBBSTTYOPH-UHFFFAOYSA-N 0 3 251.242 2.341 20 5 CEBDHN Cn1cc(CN2CCCCCCC2)c([N+](=O)[O-])n1 ZINC000876528794 650305592 /nfs/dbraw/zinc/30/55/92/650305592.db2.gz ZLRJHDFEWRMIOO-UHFFFAOYSA-N 0 3 252.318 2.094 20 5 CEBDHN CC(COC(=O)c1ccsc1Br)[N+](=O)[O-] ZINC000835453315 638262395 /nfs/dbraw/zinc/26/23/95/638262395.db2.gz AETNTMCVEOXWDH-YFKPBYRVSA-N 0 3 294.126 2.333 20 5 CEBDHN C[C@@H](O)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000228082609 639614450 /nfs/dbraw/zinc/61/44/50/639614450.db2.gz VOYNEQAAHSPRAK-DTWKUNHWSA-N 0 3 272.732 2.497 20 5 CEBDHN CC(COC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000842363817 640030037 /nfs/dbraw/zinc/03/00/37/640030037.db2.gz PCYCMNYIMMXVFD-SUHUHFCYSA-N 0 3 263.293 2.389 20 5 CEBDHN C[C@H]1C[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)CCN1C ZINC000842503392 640083720 /nfs/dbraw/zinc/08/37/20/640083720.db2.gz AXVQLTBGGXMZRJ-QWRGUYRKSA-N 0 3 296.371 2.255 20 5 CEBDHN CCOCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873684 641117388 /nfs/dbraw/zinc/11/73/88/641117388.db2.gz VSDFELSOHXMILD-NOZJJQNGSA-N 0 3 285.271 2.112 20 5 CEBDHN COc1ccc2c(c1)[C@H](C(=O)OCC(C)[N+](=O)[O-])CCC2 ZINC000847714084 641748163 /nfs/dbraw/zinc/74/81/63/641748163.db2.gz KCOALXAPJIPFIH-GXFFZTMASA-N 0 3 293.319 2.324 20 5 CEBDHN CC(COC(=O)CCCc1c(F)cccc1F)[N+](=O)[O-] ZINC000847714845 641748190 /nfs/dbraw/zinc/74/81/90/641748190.db2.gz ZIXVNEYZNRIWMX-VIFPVBQESA-N 0 3 287.262 2.496 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)c1ccco1 ZINC000848523099 642032144 /nfs/dbraw/zinc/03/21/44/642032144.db2.gz ZRVKUODKFYCREF-OCCSQVGLSA-N 0 3 288.303 2.498 20 5 CEBDHN C[C@@H](NC[C@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899162 643215312 /nfs/dbraw/zinc/21/53/12/643215312.db2.gz YSICFBZSHPIUPP-ABAIWWIYSA-N 0 3 287.319 2.374 20 5 CEBDHN C[C@H](NC[C@@H](O)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000852096552 643299746 /nfs/dbraw/zinc/29/97/46/643299746.db2.gz LTMJXBYYMSFJKL-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN Cc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])s1 ZINC000853242763 643720062 /nfs/dbraw/zinc/72/00/62/643720062.db2.gz WSYMAMOZGTZHCH-WDEREUQCSA-N 0 3 297.380 2.240 20 5 CEBDHN CC(COC(=O)C1(C)CCC(F)(F)CC1)[N+](=O)[O-] ZINC000860777822 645902468 /nfs/dbraw/zinc/90/24/68/645902468.db2.gz WSGBWNQQARIXIR-QMMMGPOBSA-N 0 3 265.256 2.410 20 5 CEBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000776580329 647073698 /nfs/dbraw/zinc/07/36/98/647073698.db2.gz UMKVVHZSUGRJLJ-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1cc(N[C@H]2CCN(CC(C)(C)O)C2)c([N+](=O)[O-])s1 ZINC000865997286 647566902 /nfs/dbraw/zinc/56/69/02/647566902.db2.gz XQEKJLRQMJRLAK-JTQLQIEISA-N 0 3 299.396 2.222 20 5 CEBDHN Cc1c(CNCCOC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873050518 649543954 /nfs/dbraw/zinc/54/39/54/649543954.db2.gz PGDQQCNICJJWRJ-AWEZNQCLSA-N 0 3 294.351 2.188 20 5 CEBDHN O=C1OCC[C@@H]1CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000873161287 649575570 /nfs/dbraw/zinc/57/55/70/649575570.db2.gz NPUZLNQVYKXUNU-JTQLQIEISA-N 0 3 296.298 2.167 20 5 CEBDHN O=C1OCC[C@H]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000873161816 649576248 /nfs/dbraw/zinc/57/62/48/649576248.db2.gz CIGZKSFAVLCUKT-SNVBAGLBSA-N 0 3 284.337 2.089 20 5 CEBDHN CO[C@@H]1CC[C@@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879322454 651285569 /nfs/dbraw/zinc/28/55/69/651285569.db2.gz TYUAWSOFUUYDRA-KCPJHIHWSA-N 0 3 294.351 2.128 20 5 CEBDHN CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435856 651440596 /nfs/dbraw/zinc/44/05/96/651440596.db2.gz WASZQTVTPKIMPR-UKRRQHHQSA-N 0 3 294.351 2.139 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881963663 651926475 /nfs/dbraw/zinc/92/64/75/651926475.db2.gz CYJIIXYZSMLJAB-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN CN1CCC(Oc2cc(Cl)c([N+](=O)[O-])cn2)CC1 ZINC001226917235 805792411 /nfs/dbraw/zinc/79/24/11/805792411.db2.gz JRXGGKTWNVYAIQ-UHFFFAOYSA-N 0 3 271.704 2.116 20 5 CEBDHN CN1CCC(Oc2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001228935930 806363917 /nfs/dbraw/zinc/36/39/17/806363917.db2.gz LKRKJNCTPGXUTN-UHFFFAOYSA-N 0 3 271.704 2.116 20 5 CEBDHN CC1(C)CNCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000701047172 809382986 /nfs/dbraw/zinc/38/29/86/809382986.db2.gz SKXDBAQXMMCHRE-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168976172 811305364 /nfs/dbraw/zinc/30/53/64/811305364.db2.gz ZCANGLSKSPCCQB-GHMZBOCLSA-N 0 3 280.299 2.043 20 5 CEBDHN C[C@]1(F)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011989 811333494 /nfs/dbraw/zinc/33/34/94/811333494.db2.gz OKGRCPACKHZNKJ-USZNOCQGSA-N 0 3 262.300 2.204 20 5 CEBDHN C[C@@H](N)c1ccn(-c2cc3cccnc3c([N+](=O)[O-])c2)n1 ZINC001169233265 811447512 /nfs/dbraw/zinc/44/75/12/811447512.db2.gz PQVSHEFEIKZPCA-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN CO[C@H](C)C1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254564693 812485169 /nfs/dbraw/zinc/48/51/69/812485169.db2.gz MJWWEUIYOVWMEI-VXGBXAGGSA-N 0 3 278.352 2.493 20 5 CEBDHN CN1CC(CNc2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001159219208 813298237 /nfs/dbraw/zinc/29/82/37/813298237.db2.gz XLVYIAYRVSXPGQ-UHFFFAOYSA-N 0 3 272.308 2.117 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc(CN)n1 ZINC001173213571 815636502 /nfs/dbraw/zinc/63/65/02/815636502.db2.gz IUDFQFJNGZBYQU-SNVBAGLBSA-N 0 3 260.297 2.054 20 5 CEBDHN CCOC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000124487255 187139373 /nfs/dbraw/zinc/13/93/73/187139373.db2.gz VVHOYLNMFLBOLQ-UHFFFAOYSA-N 0 3 250.298 2.252 20 5 CEBDHN CC[C@H](CO)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721142 361851695 /nfs/dbraw/zinc/85/16/95/361851695.db2.gz LQSJEGWTTKKUMC-YPMHNXCESA-N 0 3 252.314 2.406 20 5 CEBDHN CCCCN(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027273296 343392211 /nfs/dbraw/zinc/39/22/11/343392211.db2.gz QQAQHTGNOUGUJN-UHFFFAOYSA-N 0 3 279.340 2.316 20 5 CEBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000027753826 343394370 /nfs/dbraw/zinc/39/43/70/343394370.db2.gz DKXZVDLRNJHGAO-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN CC[C@@H](C)NC(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676108 343438424 /nfs/dbraw/zinc/43/84/24/343438424.db2.gz OCDFQLYHCGJMEM-VXGBXAGGSA-N 0 3 293.367 2.030 20 5 CEBDHN CC(C)CN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054172817 343586084 /nfs/dbraw/zinc/58/60/84/343586084.db2.gz NKKQRGDYPFSMDD-UHFFFAOYSA-N 0 3 283.397 2.430 20 5 CEBDHN NC(=O)c1ccc(CN2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000053778578 343580382 /nfs/dbraw/zinc/58/03/82/343580382.db2.gz XQDGCDLKQLDBKX-UHFFFAOYSA-N 0 3 291.351 2.460 20 5 CEBDHN COC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053897152 343581702 /nfs/dbraw/zinc/58/17/02/343581702.db2.gz HTVLSZXIQKHZFR-UHFFFAOYSA-N 0 3 250.298 2.206 20 5 CEBDHN Cc1c(C(=O)N2CCC[C@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000068342231 343762250 /nfs/dbraw/zinc/76/22/50/343762250.db2.gz LNVXYPQARVRKMM-LBPRGKRZSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090057175 344135237 /nfs/dbraw/zinc/13/52/37/344135237.db2.gz SQEMDSDVBWQJEQ-ABAIWWIYSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@H](NCC1(CO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090661285 344142547 /nfs/dbraw/zinc/14/25/47/344142547.db2.gz YDCCLVCVRQNNJM-LBPRGKRZSA-N 0 3 294.351 2.035 20 5 CEBDHN CC(C)CC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602433955 347031296 /nfs/dbraw/zinc/03/12/96/347031296.db2.gz UZJJPAZTIITYFO-GFCCVEGCSA-N 0 3 265.313 2.297 20 5 CEBDHN CC(C)CN(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602443890 347035846 /nfs/dbraw/zinc/03/58/46/347035846.db2.gz AJOOJDOLQWXDTK-UHFFFAOYSA-N 0 3 254.334 2.195 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CCO ZINC000121293233 344302172 /nfs/dbraw/zinc/30/21/72/344302172.db2.gz VRCJDTXQFYHRQR-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)CO ZINC000151740475 344422966 /nfs/dbraw/zinc/42/29/66/344422966.db2.gz UHKFUFBMZZEDLH-MWLCHTKSSA-N 0 3 252.314 2.182 20 5 CEBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000049963825 362387978 /nfs/dbraw/zinc/38/79/78/362387978.db2.gz CKGNUDZLUZOGPZ-SECBINFHSA-N 0 3 271.748 2.288 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1(O)CCCCC1 ZINC000050015765 362390275 /nfs/dbraw/zinc/39/02/75/362390275.db2.gz JITOSRYCHRMDKO-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN Cn1cc(CN2CCCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000602477067 347051181 /nfs/dbraw/zinc/05/11/81/347051181.db2.gz PPYKKXYOMPYIMG-UHFFFAOYSA-N 0 3 266.345 2.340 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1cccnc1[N+](=O)[O-] ZINC000159329664 344454493 /nfs/dbraw/zinc/45/44/93/344454493.db2.gz VXJPTKQLLXZZGH-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN COC[C@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602532336 347068385 /nfs/dbraw/zinc/06/83/85/347068385.db2.gz TZXCRTGZAWYFLZ-SECBINFHSA-N 0 3 279.296 2.108 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CO)CC2)cc1 ZINC000293127685 344691064 /nfs/dbraw/zinc/69/10/64/344691064.db2.gz MRCXVBDYXQNAEO-CYBMUJFWSA-N 0 3 264.325 2.189 20 5 CEBDHN C[C@@H](O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159707 344709659 /nfs/dbraw/zinc/70/96/59/344709659.db2.gz DUVDABPIFSPMDJ-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H]1CC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783893 345021575 /nfs/dbraw/zinc/02/15/75/345021575.db2.gz HCGWVRPVJZABPA-ONGXEEELSA-N 0 3 278.308 2.254 20 5 CEBDHN CN1CC[C@]2(CCN(c3sccc3[N+](=O)[O-])C2)C1 ZINC000589879230 345103830 /nfs/dbraw/zinc/10/38/30/345103830.db2.gz PSNRMRTVKWGGJK-LBPRGKRZSA-N 0 3 267.354 2.188 20 5 CEBDHN CN1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000590011363 345109941 /nfs/dbraw/zinc/10/99/41/345109941.db2.gz INMSSCAQKZWFCI-SMDDNHRTSA-N 0 3 295.770 2.384 20 5 CEBDHN CC[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590780885 345180023 /nfs/dbraw/zinc/18/00/23/345180023.db2.gz ZYDXSKYHPSBTEJ-SECBINFHSA-N 0 3 266.297 2.254 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000590657682 345156552 /nfs/dbraw/zinc/15/65/52/345156552.db2.gz MGLTYNPXXXLGMT-OLZOCXBDSA-N 0 3 278.308 2.026 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000592380001 345348000 /nfs/dbraw/zinc/34/80/00/345348000.db2.gz HJHHDPUTCOHGDR-WPRPVWTQSA-N 0 3 298.364 2.293 20 5 CEBDHN O=[N+]([O-])c1cccc(-n2cc(CNC3CCCC3)nn2)c1 ZINC000594641428 345665107 /nfs/dbraw/zinc/66/51/07/345665107.db2.gz WDAGRMHOKUIHIF-UHFFFAOYSA-N 0 3 287.323 2.208 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C[C@H](O)C12CCC2 ZINC000595089865 345741055 /nfs/dbraw/zinc/74/10/55/345741055.db2.gz PVBNKSQUAOPDFR-CFVMTHIKSA-N 0 3 288.347 2.475 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCc2nccs2)cs1 ZINC000060390887 362660591 /nfs/dbraw/zinc/66/05/91/362660591.db2.gz KFTZEZJSZZLZAK-UHFFFAOYSA-N 0 3 269.351 2.445 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC/C=C/CO ZINC000594974225 345720200 /nfs/dbraw/zinc/72/02/00/345720200.db2.gz ITHQZDZLRCXCFX-BJFRITFKSA-N 0 3 262.309 2.136 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CCN(C)CC1 ZINC000595003148 345723717 /nfs/dbraw/zinc/72/37/17/345723717.db2.gz FGNRDAYHSYVDDR-LLVKDONJSA-N 0 3 293.367 2.348 20 5 CEBDHN CC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595021455 345728766 /nfs/dbraw/zinc/72/87/66/345728766.db2.gz XVQKDIZLIZOVIY-IINYFYTJSA-N 0 3 282.340 2.415 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC000595034355 345732282 /nfs/dbraw/zinc/73/22/82/345732282.db2.gz WPLVMIYXJGRCFM-HERUPUMHSA-N 0 3 294.351 2.413 20 5 CEBDHN CC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039658 345732733 /nfs/dbraw/zinc/73/27/33/345732733.db2.gz UVFJZUGWBFJZHN-ONGXEEELSA-N 0 3 268.313 2.025 20 5 CEBDHN Cc1ccc([C@@H](C)NC/C=C\CO)cc1[N+](=O)[O-] ZINC000595066852 345738614 /nfs/dbraw/zinc/73/86/14/345738614.db2.gz FOIZDEAIMBWDFX-DLRQAJBASA-N 0 3 250.298 2.102 20 5 CEBDHN C[C@@]12COC[C@H]1CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000595757100 345868295 /nfs/dbraw/zinc/86/82/95/345868295.db2.gz ZDRXFDOFGFUENM-TZMCWYRMSA-N 0 3 262.309 2.063 20 5 CEBDHN C[C@]12COC[C@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756921 345868694 /nfs/dbraw/zinc/86/86/94/345868694.db2.gz HRINNXWCFPSHQD-OCCSQVGLSA-N 0 3 262.309 2.063 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(O)C[C@H]2C1 ZINC000595758577 345869628 /nfs/dbraw/zinc/86/96/28/345869628.db2.gz SBCSUDVWXFNFAJ-TYNCELHUSA-N 0 3 276.336 2.421 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](F)[C@H](N)C1 ZINC000595904928 345911157 /nfs/dbraw/zinc/91/11/57/345911157.db2.gz GHKQNUJQLOHCHY-ZLKJLUDKSA-N 0 3 281.331 2.335 20 5 CEBDHN CCC(CC)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070525 345932083 /nfs/dbraw/zinc/93/20/83/345932083.db2.gz QOCZCOZIBFSFES-LBPRGKRZSA-N 0 3 296.371 2.474 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000596073574 345933439 /nfs/dbraw/zinc/93/34/39/345933439.db2.gz JICKHIOUPCZFQA-WDEREUQCSA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000596073574 345933441 /nfs/dbraw/zinc/93/34/41/345933441.db2.gz JICKHIOUPCZFQA-WDEREUQCSA-N 0 3 294.355 2.370 20 5 CEBDHN C[C@@H](NCCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596094057 345938565 /nfs/dbraw/zinc/93/85/65/345938565.db2.gz IENQTRKFRIFFHR-SNVBAGLBSA-N 0 3 256.277 2.232 20 5 CEBDHN CCCN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596480773 346034117 /nfs/dbraw/zinc/03/41/17/346034117.db2.gz IYMWVZUAHZBOSL-LBPRGKRZSA-N 0 3 292.339 2.201 20 5 CEBDHN CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000597947440 346255967 /nfs/dbraw/zinc/25/59/67/346255967.db2.gz YHCDNHLSOJUDQR-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000598343209 346331832 /nfs/dbraw/zinc/33/18/32/346331832.db2.gz UAKDFTLBWNHAGV-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCN2CC(F)F)cc1 ZINC000598987320 346442784 /nfs/dbraw/zinc/44/27/84/346442784.db2.gz KVJWAOQCERPXGY-ZDUSSCGKSA-N 0 3 299.321 2.414 20 5 CEBDHN COc1ccc(CN[C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000598992261 346443499 /nfs/dbraw/zinc/44/34/99/346443499.db2.gz ZIDMKZUYNIKNKS-ZDUSSCGKSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000598999154 346443987 /nfs/dbraw/zinc/44/39/87/346443987.db2.gz KLUUXWUJNOKSBR-FBKDDSFISA-N 0 3 264.325 2.496 20 5 CEBDHN Cc1c([C@H](C)NC[C@H](O)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067246 346455248 /nfs/dbraw/zinc/45/52/48/346455248.db2.gz YEPVYUBANINLKD-TUKIKUTGSA-N 0 3 294.351 2.094 20 5 CEBDHN C[C@H](NCCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089019 346458584 /nfs/dbraw/zinc/45/85/84/346458584.db2.gz LCOYABQARGCIOR-JTQLQIEISA-N 0 3 287.310 2.442 20 5 CEBDHN C[C@H](NCCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000336790540 365812116 /nfs/dbraw/zinc/81/21/16/365812116.db2.gz LOWPCNWJVBGPCT-JTQLQIEISA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1nn(C)c(NC[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599165192 346470523 /nfs/dbraw/zinc/47/05/23/346470523.db2.gz MZDMTLKMGFXTNX-LBPRGKRZSA-N 0 3 293.371 2.066 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599637094 346550450 /nfs/dbraw/zinc/55/04/50/346550450.db2.gz RPNSXBHKGIXTCM-DZGCQCFKSA-N 0 3 276.336 2.189 20 5 CEBDHN Cc1ncc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000600142795 346604633 /nfs/dbraw/zinc/60/46/33/346604633.db2.gz PMXBDQOPHBKNHY-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN Cc1ccc(-c2cnn(CCN(C)C)c2)cc1[N+](=O)[O-] ZINC000600792130 346691464 /nfs/dbraw/zinc/69/14/64/346691464.db2.gz WKHCPSXNOYYDOI-UHFFFAOYSA-N 0 3 274.324 2.328 20 5 CEBDHN CN(CCN1CCCC1)c1ccsc1[N+](=O)[O-] ZINC000601113922 346756442 /nfs/dbraw/zinc/75/64/42/346756442.db2.gz JNANEBLXXCSBSP-UHFFFAOYSA-N 0 3 255.343 2.188 20 5 CEBDHN CN1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185721 346780681 /nfs/dbraw/zinc/78/06/81/346780681.db2.gz ZVQUVFMNROJXCF-ZJUUUORDSA-N 0 3 267.354 2.044 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H](O)C(F)F ZINC000601147414 346769092 /nfs/dbraw/zinc/76/90/92/346769092.db2.gz MVOVVGCFYZKKTR-LLVKDONJSA-N 0 3 274.267 2.009 20 5 CEBDHN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])CC1CCC1 ZINC000602632488 347113177 /nfs/dbraw/zinc/11/31/77/347113177.db2.gz JWWIWIAAXHGGIU-UHFFFAOYSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1cc(N2CC(N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000601193370 346782803 /nfs/dbraw/zinc/78/28/03/346782803.db2.gz GYGLZJYKHUNXIX-UHFFFAOYSA-N 0 3 261.325 2.188 20 5 CEBDHN COCCC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602688087 347147503 /nfs/dbraw/zinc/14/75/03/347147503.db2.gz KJXYPXRCBAGSNY-UHFFFAOYSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602801320 347204791 /nfs/dbraw/zinc/20/47/91/347204791.db2.gz NPONDXWOZUKFPN-JTQLQIEISA-N 0 3 266.345 2.387 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(N(C)C)CC1 ZINC000602756019 347185847 /nfs/dbraw/zinc/18/58/47/347185847.db2.gz JCCYITHYXGBZRR-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000602902074 347241917 /nfs/dbraw/zinc/24/19/17/347241917.db2.gz FUHPJQZVPPDPTQ-BMQDGWLCSA-N 0 3 284.335 2.335 20 5 CEBDHN CC[C@@](C)(N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217831 347311783 /nfs/dbraw/zinc/31/17/83/347311783.db2.gz KNCZLSZEVSGOBL-QMTHXVAHSA-N 0 3 289.339 2.380 20 5 CEBDHN CC(C)[C@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603222672 347313954 /nfs/dbraw/zinc/31/39/54/347313954.db2.gz BFDBRIGCDVVXHN-ZDUSSCGKSA-N 0 3 293.302 2.030 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CSCCN2)c1 ZINC000603417840 347364952 /nfs/dbraw/zinc/36/49/52/347364952.db2.gz CIMWHSRPEUSSRT-JTQLQIEISA-N 0 3 267.354 2.020 20 5 CEBDHN Cc1cc(NC[C@H]2CSCCN2)c(F)cc1[N+](=O)[O-] ZINC000603419380 347365843 /nfs/dbraw/zinc/36/58/43/347365843.db2.gz NDFWHISWJVQIAR-VIFPVBQESA-N 0 3 285.344 2.159 20 5 CEBDHN CN(C)CCN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000604432682 347415185 /nfs/dbraw/zinc/41/51/85/347415185.db2.gz PMMUWNLNOKCEQS-UHFFFAOYSA-N 0 3 298.412 2.094 20 5 CEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609154026 347629353 /nfs/dbraw/zinc/62/93/53/347629353.db2.gz RHPZOESMFBGYPK-CQSZACIVSA-N 0 3 291.351 2.151 20 5 CEBDHN O=[N+]([O-])c1ccccc1N[C@H]1CCN(CC2CC2)C1 ZINC000609384310 347637839 /nfs/dbraw/zinc/63/78/39/347637839.db2.gz HWZTXRAKSGSDPO-LBPRGKRZSA-N 0 3 261.325 2.491 20 5 CEBDHN O=C(CCN1C[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762501 347711877 /nfs/dbraw/zinc/71/18/77/347711877.db2.gz QGGLPLHEKMLZMA-SMDDNHRTSA-N 0 3 289.335 2.408 20 5 CEBDHN C[C@H]1CCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336889107 365935365 /nfs/dbraw/zinc/93/53/65/365935365.db2.gz FWYHMUQCRNIMIM-HZMBPMFUSA-N 0 3 282.315 2.375 20 5 CEBDHN COc1ccc(CNC[C@]2(O)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000336895136 365939166 /nfs/dbraw/zinc/93/91/66/365939166.db2.gz MOJYZTUQNPBFGS-XHDPSFHLSA-N 0 3 294.351 2.244 20 5 CEBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000615085035 348278512 /nfs/dbraw/zinc/27/85/12/348278512.db2.gz SZVOFRDPSVWSNN-OAHLLOKOSA-N 0 3 294.351 2.126 20 5 CEBDHN CCN1CCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000128905343 187398415 /nfs/dbraw/zinc/39/84/15/187398415.db2.gz ZPQSHFDCSUJLLS-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN CN1CCN(CCNc2sccc2[N+](=O)[O-])CC1(C)C ZINC000619651976 349209368 /nfs/dbraw/zinc/20/93/68/349209368.db2.gz KDMJIHBFPNTLLC-UHFFFAOYSA-N 0 3 298.412 2.094 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]2CCC[C@@H]21 ZINC000090550763 180002547 /nfs/dbraw/zinc/00/25/47/180002547.db2.gz GVIZFGGQNBZOCA-OCCSQVGLSA-N 0 3 291.351 2.021 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000352193129 219353631 /nfs/dbraw/zinc/35/36/31/219353631.db2.gz BFBCTFAVYFMKHJ-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H]2COC3(CCCC3)O2)c1 ZINC000271421111 191127754 /nfs/dbraw/zinc/12/77/54/191127754.db2.gz MCLSUSKJWNIXCW-AWEZNQCLSA-N 0 3 292.335 2.370 20 5 CEBDHN CC(=O)c1cc(NC[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000291921901 198106019 /nfs/dbraw/zinc/10/60/19/198106019.db2.gz RPFNUHPJSUOZAM-JTQLQIEISA-N 0 3 279.340 2.407 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000123793874 187109339 /nfs/dbraw/zinc/10/93/39/187109339.db2.gz NTTFCQZOXCTBDM-UHFFFAOYSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131271497 187553547 /nfs/dbraw/zinc/55/35/47/187553547.db2.gz PUPBTOCLIYOEGY-ZYHUDNBSSA-N 0 3 250.298 2.343 20 5 CEBDHN C[C@@H](CO[C@H]1CCOC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000132941208 366181397 /nfs/dbraw/zinc/18/13/97/366181397.db2.gz GSUGUNHJPYRUPL-HUBLWGQQSA-N 0 3 294.351 2.439 20 5 CEBDHN CO[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076344492 363538421 /nfs/dbraw/zinc/53/84/21/363538421.db2.gz PFPUJXBAKIGPOZ-CQSZACIVSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CCCO)C1 ZINC000452134821 283199736 /nfs/dbraw/zinc/19/97/36/283199736.db2.gz VFOCZQFCOODDBU-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN CC(C)NC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000134822693 366362855 /nfs/dbraw/zinc/36/28/55/366362855.db2.gz JFJWSOKXRPQSGA-NSHDSACASA-N 0 3 279.340 2.160 20 5 CEBDHN Cc1c(CN[C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338595782 366433370 /nfs/dbraw/zinc/43/33/70/366433370.db2.gz CANQSLMDKUVMHZ-CYBMUJFWSA-N 0 3 291.351 2.050 20 5 CEBDHN C[C@H](NC(=O)[C@@]1(C)CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000136164590 366499958 /nfs/dbraw/zinc/49/99/58/366499958.db2.gz AWTPEDVYAMLEAQ-XHDPSFHLSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@@H]1CCC[C@@H](CO)N1CCOc1ccccc1[N+](=O)[O-] ZINC000136163814 366500325 /nfs/dbraw/zinc/50/03/25/366500325.db2.gz IZESVCBLGWLKNQ-OLZOCXBDSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)(O)[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000136250814 366504958 /nfs/dbraw/zinc/50/49/58/366504958.db2.gz SPMWIZHRNQCJCV-ZDUSSCGKSA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1nc(N(C)[C@H]2CCN(C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150902981 366604328 /nfs/dbraw/zinc/60/43/28/366604328.db2.gz GSJCGHQFAMUTLV-PWSUYJOCSA-N 0 3 278.356 2.217 20 5 CEBDHN Cc1cc(=O)n(C[C@@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000339114726 366659564 /nfs/dbraw/zinc/65/95/64/366659564.db2.gz DBXYDDSTXJOUBG-ZDUSSCGKSA-N 0 3 293.367 2.328 20 5 CEBDHN CC[C@H]1CN(CC)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000579555060 366662414 /nfs/dbraw/zinc/66/24/14/366662414.db2.gz OHYABGFASRNHAH-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN COc1ccc(CN[C@H]2C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241509 216274680 /nfs/dbraw/zinc/27/46/80/216274680.db2.gz ZSFWGFKXZNFDJW-BDAKNGLRSA-N 0 3 272.251 2.347 20 5 CEBDHN CN(CCC1CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154670676 366783517 /nfs/dbraw/zinc/78/35/17/366783517.db2.gz OMASIEFVFWOBAN-CQSZACIVSA-N 0 3 264.325 2.360 20 5 CEBDHN C[C@@H](N[C@@H](C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000087818496 363870470 /nfs/dbraw/zinc/87/04/70/363870470.db2.gz ZZKORSZJPBGRBU-ZJUUUORDSA-N 0 3 252.314 2.405 20 5 CEBDHN C[C@]1(CNCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000094798142 364296699 /nfs/dbraw/zinc/29/66/99/364296699.db2.gz DLGWYSTWRRQSRV-CYBMUJFWSA-N 0 3 250.298 2.254 20 5 CEBDHN C[C@@H](CCCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000094941633 364309766 /nfs/dbraw/zinc/30/97/66/364309766.db2.gz XPQLOPHXLQZHLD-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN CC[C@@H](CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000094949516 364313945 /nfs/dbraw/zinc/31/39/45/364313945.db2.gz AVEQQRJTQURJHY-NSHDSACASA-N 0 3 252.314 2.093 20 5 CEBDHN CCC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000112376989 364802021 /nfs/dbraw/zinc/80/20/21/364802021.db2.gz RESPNASEYULLSC-GFCCVEGCSA-N 0 3 252.314 2.154 20 5 CEBDHN Cn1cc(CNC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000112204760 364778285 /nfs/dbraw/zinc/77/82/85/364778285.db2.gz PCFYRBMQNRCPIW-UHFFFAOYSA-N 0 3 272.308 2.247 20 5 CEBDHN CCOC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000113501000 364900015 /nfs/dbraw/zinc/90/00/15/364900015.db2.gz SNFAEEBZJNDDLW-OAHLLOKOSA-N 0 3 296.367 2.203 20 5 CEBDHN Cc1ccncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000162760027 367186437 /nfs/dbraw/zinc/18/64/37/367186437.db2.gz RRSISNMLGALDMX-UHFFFAOYSA-N 0 3 287.319 2.467 20 5 CEBDHN C[C@@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168130871 367346903 /nfs/dbraw/zinc/34/69/03/367346903.db2.gz DLDZRWNRHOAWAN-DTWKUNHWSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000166136345 367317605 /nfs/dbraw/zinc/31/76/05/367317605.db2.gz RYFADAIQAUEHKS-GXSJLCMTSA-N 0 3 295.295 2.018 20 5 CEBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000170766026 367410005 /nfs/dbraw/zinc/41/00/05/367410005.db2.gz DJBGHKFZVVHHKB-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1cc(C(=O)NC[C@H](C)N(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000171103020 367478309 /nfs/dbraw/zinc/47/83/09/367478309.db2.gz DLFGDTVPAMYUTH-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN CN(C)CCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000342857151 367574292 /nfs/dbraw/zinc/57/42/92/367574292.db2.gz SLCXLQQNJNOVIC-UHFFFAOYSA-N 0 3 266.326 2.125 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000343058397 367651145 /nfs/dbraw/zinc/65/11/45/367651145.db2.gz PGPDJZDHZKGWER-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343425705 367806641 /nfs/dbraw/zinc/80/66/41/367806641.db2.gz FBBUHQBDHPWUBA-WCQYABFASA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343520115 367859660 /nfs/dbraw/zinc/85/96/60/367859660.db2.gz LFTFQYMAEVCEEY-FZMZJTMJSA-N 0 3 291.351 2.116 20 5 CEBDHN CNC(=O)C(C)(C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183220013 368616110 /nfs/dbraw/zinc/61/61/10/368616110.db2.gz PHJYPEJDJBMODP-JTQLQIEISA-N 0 3 279.340 2.018 20 5 CEBDHN C/C=C/C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000185811958 368866284 /nfs/dbraw/zinc/86/62/84/368866284.db2.gz YAAUKICCFFCQLO-ITDFMYJTSA-N 0 3 264.325 2.320 20 5 CEBDHN CC[C@@H](NC[C@H](O)CSC)c1cccc([N+](=O)[O-])c1 ZINC000188233320 369323027 /nfs/dbraw/zinc/32/30/27/369323027.db2.gz DVEBACMLBVEXEF-QWHCGFSZSA-N 0 3 284.381 2.359 20 5 CEBDHN CC1(C)[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000189332742 369498609 /nfs/dbraw/zinc/49/86/09/369498609.db2.gz SVFWZKMDGWBPQQ-UMGRQFOVSA-N 0 3 276.336 2.357 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCSC1 ZINC000223191037 370261207 /nfs/dbraw/zinc/26/12/07/370261207.db2.gz REQKWALUFRJCBB-JTQLQIEISA-N 0 3 268.338 2.199 20 5 CEBDHN CNC(=O)C(C)(C)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227604741 370375738 /nfs/dbraw/zinc/37/57/38/370375738.db2.gz SVDZYMGGCBSDFK-UHFFFAOYSA-N 0 3 299.758 2.110 20 5 CEBDHN CCN(C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227650468 370377890 /nfs/dbraw/zinc/37/78/90/370377890.db2.gz CLUXCXIIPYRBNH-UHFFFAOYSA-N 0 3 258.709 2.007 20 5 CEBDHN CCCN1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000343988410 217005367 /nfs/dbraw/zinc/00/53/67/217005367.db2.gz WXHIBMSQGTZYOR-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN COC1CC(NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000234703659 370540523 /nfs/dbraw/zinc/54/05/23/370540523.db2.gz JNBPEOBZFFQVAZ-UHFFFAOYSA-N 0 3 250.298 2.170 20 5 CEBDHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000358398869 371049500 /nfs/dbraw/zinc/04/95/00/371049500.db2.gz JUGLYUPGAQABLU-GVXVVHGQSA-N 0 3 263.341 2.196 20 5 CEBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC(C)(C)C1 ZINC000344023101 217013379 /nfs/dbraw/zinc/01/33/79/217013379.db2.gz HKHIGYLQEYQPNT-NSHDSACASA-N 0 3 266.345 2.159 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@H]1O ZINC000359121979 371345326 /nfs/dbraw/zinc/34/53/26/371345326.db2.gz FUARYOMJUBGPNS-UONOGXRCSA-N 0 3 264.325 2.296 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C(C)C)C1 ZINC000360965517 371567322 /nfs/dbraw/zinc/56/73/22/371567322.db2.gz HDMOEYPKZDZICY-LLVKDONJSA-N 0 3 281.360 2.014 20 5 CEBDHN COCC[C@H](COC)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829233 213725744 /nfs/dbraw/zinc/72/57/44/213725744.db2.gz BRUZDSXZISSRNC-WCQYABFASA-N 0 3 282.340 2.297 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361152196 371683492 /nfs/dbraw/zinc/68/34/92/371683492.db2.gz HFJADDIHGJRQEW-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN C[C@@H]1C[C@@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000344176195 217087262 /nfs/dbraw/zinc/08/72/62/217087262.db2.gz RJKVBUJGZCAREF-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](CO)[C@H](C)C1 ZINC000362091610 372214906 /nfs/dbraw/zinc/21/49/06/372214906.db2.gz WHRBPZIUFGEMKD-NTZNESFSSA-N 0 3 264.325 2.216 20 5 CEBDHN CCC[C@H](N[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268796055 372225791 /nfs/dbraw/zinc/22/57/91/372225791.db2.gz BRXHUUZRGRTHEY-OCCSQVGLSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@H](NCC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268936919 372294468 /nfs/dbraw/zinc/29/44/68/372294468.db2.gz RYQOAMYYKIKWCU-NSHDSACASA-N 0 3 291.351 2.291 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](C)OC ZINC000268945933 372297637 /nfs/dbraw/zinc/29/76/37/372297637.db2.gz WPOLGPUMUHIQJF-VHSXEESVSA-N 0 3 268.313 2.116 20 5 CEBDHN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCCN1 ZINC000269130698 372350674 /nfs/dbraw/zinc/35/06/74/372350674.db2.gz VDYNZJOOCZKPQY-LBPRGKRZSA-N 0 3 297.742 2.007 20 5 CEBDHN C[C@@H]1CCN(C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000353436569 220082092 /nfs/dbraw/zinc/08/20/92/220082092.db2.gz PHSLWJCAUHCYPI-SNVBAGLBSA-N 0 3 269.370 2.182 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H]1COCCO1 ZINC000344797992 217313700 /nfs/dbraw/zinc/31/37/00/217313700.db2.gz XDJZRTMUXDQVNY-XCHKQJEOSA-N 0 3 292.335 2.003 20 5 CEBDHN CO[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000371731974 373961390 /nfs/dbraw/zinc/96/13/90/373961390.db2.gz GKAURXYWJDYRTO-ZDUSSCGKSA-N 0 3 294.351 2.475 20 5 CEBDHN COc1cc(CN[C@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274607261 373982982 /nfs/dbraw/zinc/98/29/82/373982982.db2.gz MXYHDTIOLSWPFU-ZJUUUORDSA-N 0 3 298.314 2.257 20 5 CEBDHN COc1ccc(CN(C)[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000274857286 374073714 /nfs/dbraw/zinc/07/37/14/374073714.db2.gz HFSTWLUZJGKSDO-CYBMUJFWSA-N 0 3 296.367 2.442 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000275057924 374141890 /nfs/dbraw/zinc/14/18/90/374141890.db2.gz NZOJMAATBUMUMO-YGRLFVJLSA-N 0 3 282.315 2.375 20 5 CEBDHN CCOc1cc(CN[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000276862465 374328670 /nfs/dbraw/zinc/32/86/70/374328670.db2.gz GMGJJZLWGPAGMW-GFCCVEGCSA-N 0 3 282.340 2.100 20 5 CEBDHN COc1ccc(CN(C)[C@@H](C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000382819551 375194303 /nfs/dbraw/zinc/19/43/03/375194303.db2.gz WPEYFUWNLYZYJM-JTQLQIEISA-N 0 3 282.340 2.195 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CCCN(C)C2)n1 ZINC000408171849 375423304 /nfs/dbraw/zinc/42/33/04/375423304.db2.gz ONROJSPVBBWVPP-GFCCVEGCSA-N 0 3 278.356 2.137 20 5 CEBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283145675 375664664 /nfs/dbraw/zinc/66/46/64/375664664.db2.gz OGISEFTZFLESAC-NXEZZACHSA-N 0 3 298.314 2.411 20 5 CEBDHN CC1(C)COC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000313105837 376736779 /nfs/dbraw/zinc/73/67/79/376736779.db2.gz ZHSRVGZAQOMRCK-GFCCVEGCSA-N 0 3 250.298 2.109 20 5 CEBDHN CO[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000291096849 377071056 /nfs/dbraw/zinc/07/10/56/377071056.db2.gz YYQOIAWQQDBISE-AWEZNQCLSA-N 0 3 264.325 2.500 20 5 CEBDHN C[C@@H](O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264764644 190133209 /nfs/dbraw/zinc/13/32/09/190133209.db2.gz ZHCKPWLDPIARJC-GFCCVEGCSA-N 0 3 294.351 2.066 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN(C)C1 ZINC000564224945 377363059 /nfs/dbraw/zinc/36/30/59/377363059.db2.gz AJDOZAVREQXERX-NSHDSACASA-N 0 3 279.340 2.357 20 5 CEBDHN C[C@@H](N[C@H]1CCn2ccnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000427884858 377461714 /nfs/dbraw/zinc/46/17/14/377461714.db2.gz JOSUVDBDQMJZDI-YPMHNXCESA-N 0 3 286.335 2.457 20 5 CEBDHN CC(C)[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000293305150 377513157 /nfs/dbraw/zinc/51/31/57/377513157.db2.gz LAHLTZYFMSFXRU-AWEZNQCLSA-N 0 3 266.341 2.086 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332238394 377548670 /nfs/dbraw/zinc/54/86/70/377548670.db2.gz OMGBTPVEUSRKLH-UBHSHLNASA-N 0 3 276.336 2.188 20 5 CEBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293490117 377590859 /nfs/dbraw/zinc/59/08/59/377590859.db2.gz SSMAHMFVRQZDRU-QWRGUYRKSA-N 0 3 250.298 2.314 20 5 CEBDHN C[C@@H](NCCc1cn(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000313263293 249392187 /nfs/dbraw/zinc/39/21/87/249392187.db2.gz LSDWZXXOKUJWDP-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC[C@@H](O)[C@@H](CC)NCc1ccccc1[N+](=O)[O-] ZINC000313097399 249381981 /nfs/dbraw/zinc/38/19/81/249381981.db2.gz DUJBIKWSCGZEGZ-DGCLKSJQSA-N 0 3 252.314 2.234 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000293674647 377692367 /nfs/dbraw/zinc/69/23/67/377692367.db2.gz JUGHBUYATVAUPR-BNOWGMLFSA-N 0 3 294.351 2.094 20 5 CEBDHN C[C@@H](NCCOCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293867896 377795490 /nfs/dbraw/zinc/79/54/90/377795490.db2.gz UUWGZTZDCGLPFN-SNVBAGLBSA-N 0 3 279.340 2.254 20 5 CEBDHN CC(C)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000438508928 377904912 /nfs/dbraw/zinc/90/49/12/377904912.db2.gz NJTDPYSKSFGUBK-GFCCVEGCSA-N 0 3 291.351 2.172 20 5 CEBDHN CC[C@@H](NC(=O)[C@H](C)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000295236738 378065167 /nfs/dbraw/zinc/06/51/67/378065167.db2.gz SITAGTZHWJUCDS-IINYFYTJSA-N 0 3 291.351 2.303 20 5 CEBDHN CC[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449777406 378230024 /nfs/dbraw/zinc/23/00/24/378230024.db2.gz QIXMGEJRCWRXPD-YPMHNXCESA-N 0 3 293.367 2.030 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)c1 ZINC000450593769 378490803 /nfs/dbraw/zinc/49/08/03/378490803.db2.gz JIOSUVDAXGQGBG-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN CS[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296448857 378535711 /nfs/dbraw/zinc/53/57/11/378535711.db2.gz WLRDESVGVJWOOM-NSHDSACASA-N 0 3 282.365 2.411 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000298953646 378863768 /nfs/dbraw/zinc/86/37/68/378863768.db2.gz AUDDYUWSIYMJQX-NSHDSACASA-N 0 3 299.396 2.362 20 5 CEBDHN CC[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453395926 378884494 /nfs/dbraw/zinc/88/44/94/378884494.db2.gz IGJOFYZKCISHBK-UKRRQHHQSA-N 0 3 291.351 2.304 20 5 CEBDHN COCCN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299249357 378941591 /nfs/dbraw/zinc/94/15/91/378941591.db2.gz QYDXIIJZTHWSPF-UHFFFAOYSA-N 0 3 297.330 2.257 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CCO[C@H]1C ZINC000515031273 379177019 /nfs/dbraw/zinc/17/70/19/379177019.db2.gz GDIIIIGUFKCRRD-HUBLWGQQSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1nn(C)c(NC[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301098091 379193585 /nfs/dbraw/zinc/19/35/85/379193585.db2.gz KWXJSSFPOPAECO-GHMZBOCLSA-N 0 3 295.387 2.169 20 5 CEBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000301193953 379216018 /nfs/dbraw/zinc/21/60/18/379216018.db2.gz MUCWEPILCSFPCS-UHFFFAOYSA-N 0 3 267.304 2.266 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C(C)C)C1 ZINC000301334884 379259675 /nfs/dbraw/zinc/25/96/75/379259675.db2.gz CQCFVJJDFBNRHK-LLVKDONJSA-N 0 3 264.329 2.193 20 5 CEBDHN COC[C@](C)(O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000516952363 379327667 /nfs/dbraw/zinc/32/76/67/379327667.db2.gz SYQHJGKWXCTYQI-SWLSCSKDSA-N 0 3 296.367 2.341 20 5 CEBDHN CC(C)[C@@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000304077082 379520752 /nfs/dbraw/zinc/52/07/52/379520752.db2.gz XKTBCGGXGQSUQE-NSHDSACASA-N 0 3 258.343 2.153 20 5 CEBDHN CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521269764 379525325 /nfs/dbraw/zinc/52/53/25/379525325.db2.gz DXVGFDIITWFZHA-KWCYVHTRSA-N 0 3 276.336 2.331 20 5 CEBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccccc3)CC2)n1 ZINC000267077730 190301549 /nfs/dbraw/zinc/30/15/49/190301549.db2.gz MFVIKHYHSICHQT-UHFFFAOYSA-N 0 3 272.308 2.070 20 5 CEBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)O ZINC000267653430 190344490 /nfs/dbraw/zinc/34/44/90/190344490.db2.gz YFAIDKHPUVZVCK-UHFFFAOYSA-N 0 3 293.323 2.329 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)C1CCCC1 ZINC000289417312 197337191 /nfs/dbraw/zinc/33/71/91/197337191.db2.gz BTNJNEFBBFDOFG-CYBMUJFWSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCC[C@H]1O)CCC2 ZINC000332037561 285144631 /nfs/dbraw/zinc/14/46/31/285144631.db2.gz WIOCZTCCXHBRBJ-RRFJBIMHSA-N 0 3 276.336 2.475 20 5 CEBDHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281441277 195240956 /nfs/dbraw/zinc/24/09/56/195240956.db2.gz PZGHIWJOHVKUCH-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417356376 533549219 /nfs/dbraw/zinc/54/92/19/533549219.db2.gz PLKZYKHRPSASPV-XWIASGKRSA-N 0 3 250.298 2.159 20 5 CEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])s1)CN1CCCC1 ZINC000189686313 130007823 /nfs/dbraw/zinc/00/78/23/130007823.db2.gz QGURFZYOAVBYBB-VIFPVBQESA-N 0 3 270.358 2.195 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421704472 394569367 /nfs/dbraw/zinc/56/93/67/394569367.db2.gz OQMPWFYICODDBD-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CC[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000413582688 394590226 /nfs/dbraw/zinc/59/02/26/394590226.db2.gz HCUAAGBTKVOELT-ZDUSSCGKSA-N 0 3 293.367 2.286 20 5 CEBDHN C[C@@H](NC[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015634 394708071 /nfs/dbraw/zinc/70/80/71/394708071.db2.gz YIZPOGDLJSNZFJ-MFKMUULPSA-N 0 3 282.365 2.113 20 5 CEBDHN CN1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000364164295 394891001 /nfs/dbraw/zinc/89/10/01/394891001.db2.gz AXCQROIRWRYWDI-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000415508548 394940014 /nfs/dbraw/zinc/94/00/14/394940014.db2.gz VDRNQQQCNJEOGN-WDEREUQCSA-N 0 3 292.339 2.117 20 5 CEBDHN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCN1 ZINC000423842227 395000549 /nfs/dbraw/zinc/00/05/49/395000549.db2.gz KCYWXQALIMYUTI-LBPRGKRZSA-N 0 3 297.742 2.007 20 5 CEBDHN C[C@H](F)CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367514744 394963878 /nfs/dbraw/zinc/96/38/78/394963878.db2.gz OTZDGYUYSCYYAR-QWRGUYRKSA-N 0 3 270.308 2.176 20 5 CEBDHN CN(C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290783301 395116908 /nfs/dbraw/zinc/11/69/08/395116908.db2.gz NHVWVTOKXLITDY-CQSZACIVSA-N 0 3 296.392 2.283 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCOC[C@H]1C ZINC000430232009 395164129 /nfs/dbraw/zinc/16/41/29/395164129.db2.gz DXHHLOVUANEJOQ-MFKMUULPSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000398618788 395237029 /nfs/dbraw/zinc/23/70/29/395237029.db2.gz JBTJOKSAFJFMPN-AAEUAGOBSA-N 0 3 264.325 2.045 20 5 CEBDHN CC(C)OC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208465 395188767 /nfs/dbraw/zinc/18/87/67/395188767.db2.gz SYILTQINWPVPIB-LBPRGKRZSA-N 0 3 296.367 2.205 20 5 CEBDHN CC[C@@H](N[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586530 395200390 /nfs/dbraw/zinc/20/03/90/395200390.db2.gz BJJLADXUMHNBAS-TZMCWYRMSA-N 0 3 291.351 2.256 20 5 CEBDHN Cc1cc(N2CC[C@]3(C2)CCCN(C)C3)ncc1[N+](=O)[O-] ZINC000292778421 395205756 /nfs/dbraw/zinc/20/57/56/395205756.db2.gz LQEZUNNTXWEUFL-OAHLLOKOSA-N 0 3 290.367 2.220 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000295086366 395284523 /nfs/dbraw/zinc/28/45/23/395284523.db2.gz RAUGVKPBBLQIEF-QWRGUYRKSA-N 0 3 274.267 2.089 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)C1CCC1 ZINC000439787188 395285407 /nfs/dbraw/zinc/28/54/07/395285407.db2.gz FNQDXPNRAUYZQA-XQRVVYSFSA-N 0 3 276.336 2.455 20 5 CEBDHN CC[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CC1(C)C ZINC000419315492 395255512 /nfs/dbraw/zinc/25/55/12/395255512.db2.gz JXJBZOYUKRSRIN-NXEZZACHSA-N 0 3 266.345 2.243 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCSC[C@@H]2C2CCC2)c1 ZINC000419369264 395265741 /nfs/dbraw/zinc/26/57/41/395265741.db2.gz YXGCXKBWGJUDEJ-CYBMUJFWSA-N 0 3 296.396 2.009 20 5 CEBDHN Cc1c(CN[C@@H]2CO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000401946517 395266258 /nfs/dbraw/zinc/26/62/58/395266258.db2.gz JETRNVAUQIRKMW-CABZTGNLSA-N 0 3 250.298 2.170 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)CC1 ZINC000294214211 395269487 /nfs/dbraw/zinc/26/94/87/395269487.db2.gz YKZNZPOUHCQUGN-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000192674273 395390412 /nfs/dbraw/zinc/39/04/12/395390412.db2.gz NXWYAMJDRZXIHZ-KOLCDFICSA-N 0 3 293.371 2.157 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272135635 292288866 /nfs/dbraw/zinc/28/88/66/292288866.db2.gz AJVSGGRPPITJBT-DOMZBBRYSA-N 0 3 275.352 2.434 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000376056451 157183093 /nfs/dbraw/zinc/18/30/93/157183093.db2.gz VXXUYTOYALRCTA-GXTWGEPZSA-N 0 3 262.309 2.206 20 5 CEBDHN CC[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168131375 162362575 /nfs/dbraw/zinc/36/25/75/162362575.db2.gz PXLZNABMQBTTDG-SNVBAGLBSA-N 0 3 272.732 2.499 20 5 CEBDHN CCN(CC)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175150593 165126568 /nfs/dbraw/zinc/12/65/68/165126568.db2.gz UJHPNXNOCSICJK-UHFFFAOYSA-N 0 3 293.367 2.288 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000020208253 171072441 /nfs/dbraw/zinc/07/24/41/171072441.db2.gz MJYFAOYSQQNFOA-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H](N[C@@H]1CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949782 196162789 /nfs/dbraw/zinc/16/27/89/196162789.db2.gz FCVSKAJIJKUKFY-WCBMZHEXSA-N 0 3 267.354 2.333 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCc2ccccn2)cs1 ZINC000037562474 173272764 /nfs/dbraw/zinc/27/27/64/173272764.db2.gz JIERQHSJIRGDIS-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN C[C@@H](NC[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277819 176107800 /nfs/dbraw/zinc/10/78/00/176107800.db2.gz VQIPJCUNTGVWRX-RNCFNFMXSA-N 0 3 250.298 2.016 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC000078738842 177380184 /nfs/dbraw/zinc/38/01/84/177380184.db2.gz MVECBXAXIMRYDB-UHFFFAOYSA-N 0 3 266.341 2.496 20 5 CEBDHN COC1CC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000230673752 270313981 /nfs/dbraw/zinc/31/39/81/270313981.db2.gz OVAXYOGHYJLKPC-FJJSSXBZSA-N 0 3 250.298 2.423 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(CCO)CC1 ZINC000189998607 270265682 /nfs/dbraw/zinc/26/56/82/270265682.db2.gz SVJKPPUMVQRYGF-UHFFFAOYSA-N 0 3 294.351 2.246 20 5 CEBDHN C[C@H](CCO)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000397778358 270354997 /nfs/dbraw/zinc/35/49/97/270354997.db2.gz UPOYNAUQCWFMIC-JTQLQIEISA-N 0 3 270.304 2.232 20 5 CEBDHN C[C@H]1C[C@H](CO)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000398645444 270360200 /nfs/dbraw/zinc/36/02/00/270360200.db2.gz ZGNCQBKINFEHTK-AAEUAGOBSA-N 0 3 264.325 2.045 20 5 CEBDHN CC[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000428429135 271265377 /nfs/dbraw/zinc/26/53/77/271265377.db2.gz ZTIPQMZNMJTYBS-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000338687375 274118922 /nfs/dbraw/zinc/11/89/22/274118922.db2.gz INGYLXMQRXELKX-PWSUYJOCSA-N 0 3 279.340 2.498 20 5 CEBDHN COc1ccccc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000271736295 278061453 /nfs/dbraw/zinc/06/14/53/278061453.db2.gz VFOXGHDZVFTODA-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN C[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994327 278403570 /nfs/dbraw/zinc/40/35/70/278403570.db2.gz FDSNOGBNALZFHP-RNCFNFMXSA-N 0 3 264.325 2.288 20 5 CEBDHN CCCNC(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129928712 279925283 /nfs/dbraw/zinc/92/52/83/279925283.db2.gz QWZVLULWCODUNC-LBPRGKRZSA-N 0 3 293.367 2.470 20 5 CEBDHN CN(C)C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000419009443 280767333 /nfs/dbraw/zinc/76/73/33/280767333.db2.gz NFUBANAVRPPGSO-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](C)(O)C1 ZINC000245521969 281022612 /nfs/dbraw/zinc/02/26/12/281022612.db2.gz LERWPGYMFRECPO-FZMZJTMJSA-N 0 3 264.325 2.421 20 5 CEBDHN CCC[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423723682 281083357 /nfs/dbraw/zinc/08/33/57/281083357.db2.gz LXQGRDCVBDRZSF-ZDUSSCGKSA-N 0 3 291.351 2.213 20 5 CEBDHN C[C@H]1CCCC[C@@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000459610000 290194167 /nfs/dbraw/zinc/19/41/67/290194167.db2.gz KDNLOUQMCIICHM-GXFFZTMASA-N 0 3 266.345 2.387 20 5 CEBDHN CO[C@@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184309 298328821 /nfs/dbraw/zinc/32/88/21/298328821.db2.gz NXJPXLYINNWCGQ-IUODEOHRSA-N 0 3 294.351 2.359 20 5 CEBDHN C[C@H]1C[C@H](C)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000548097774 298393852 /nfs/dbraw/zinc/39/38/52/298393852.db2.gz VGKCYBZHYBPRNL-QWRGUYRKSA-N 0 3 250.298 2.456 20 5 CEBDHN Cc1cc([N+](=O)[O-])cn(CCN2C[C@H](C)C[C@@H](C)C2)c1=O ZINC000567915917 313921078 /nfs/dbraw/zinc/92/10/78/313921078.db2.gz BTRYFZGVQLPCCP-VXGBXAGGSA-N 0 3 293.367 2.043 20 5 CEBDHN COC(=O)CC1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000570284627 314032309 /nfs/dbraw/zinc/03/23/09/314032309.db2.gz IFKDWFVCMHWHIE-GQCTYLIASA-N 0 3 290.319 2.293 20 5 CEBDHN CC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](C)O ZINC000577389106 314372228 /nfs/dbraw/zinc/37/22/28/314372228.db2.gz VUNMTCRLGOIBND-JIMOISOXSA-N 0 3 264.325 2.331 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN(C)C ZINC000558256374 327083308 /nfs/dbraw/zinc/08/33/08/327083308.db2.gz IDRWUMWOTSXFFB-LLVKDONJSA-N 0 3 251.330 2.115 20 5 CEBDHN CC1(C)C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396668221 329317024 /nfs/dbraw/zinc/31/70/24/329317024.db2.gz QUPXHSXBQLVYFK-NSHDSACASA-N 0 3 280.324 2.131 20 5 CEBDHN CCO[C@@H]1C[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579732891 335877022 /nfs/dbraw/zinc/87/70/22/335877022.db2.gz BAXJLGORLJTGIW-OUCADQQQSA-N 0 3 262.309 2.349 20 5 CEBDHN CSC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183482438 525661574 /nfs/dbraw/zinc/66/15/74/525661574.db2.gz CEAMGMNIOIADMO-ZDUSSCGKSA-N 0 3 284.381 2.107 20 5 CEBDHN Cc1c(CN[C@@H]2CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000149573313 525727095 /nfs/dbraw/zinc/72/70/95/525727095.db2.gz GQGJQDMUQMBRDS-CMPLNLGQSA-N 0 3 250.298 2.170 20 5 CEBDHN Cc1ncsc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000742369636 575017612 /nfs/dbraw/zinc/01/76/12/575017612.db2.gz AWYNHWMAHXIGNB-GFCCVEGCSA-N 0 3 293.348 2.183 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1ccccc1)[N+](=O)[O-] ZINC000813103150 623019309 /nfs/dbraw/zinc/01/93/09/623019309.db2.gz YNAYRRZATPISSP-MNOVXSKESA-N 0 3 251.282 2.074 20 5 CEBDHN COc1cccc([C@@H](C)CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107088 623026610 /nfs/dbraw/zinc/02/66/10/623026610.db2.gz JKTJRYLHZPIZHN-WDEREUQCSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(=O)OC[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621184 627317655 /nfs/dbraw/zinc/31/76/55/627317655.db2.gz HMEDHDLAFNRGTO-UWVGGRQHSA-N 0 3 266.297 2.197 20 5 CEBDHN C[C@@H](N[C@H]1COC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000926833696 627717800 /nfs/dbraw/zinc/71/78/00/627717800.db2.gz BGDJOGJQVANBGR-UMNHJUIQSA-N 0 3 250.298 2.280 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000295252209 628045787 /nfs/dbraw/zinc/04/57/87/628045787.db2.gz QNODLUZVLRNISO-GFCCVEGCSA-N 0 3 268.288 2.391 20 5 CEBDHN COCC[C@H](C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000894895588 629732879 /nfs/dbraw/zinc/73/28/79/629732879.db2.gz QSXGTYAKQFAQES-JTQLQIEISA-N 0 3 298.339 2.071 20 5 CEBDHN C[C@@H](CNCc1cn(C)cn1)c1ccccc1[N+](=O)[O-] ZINC000902673781 634770365 /nfs/dbraw/zinc/77/03/65/634770365.db2.gz IHONWURTLXSNGY-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@H](CNCc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000897469077 631536046 /nfs/dbraw/zinc/53/60/46/631536046.db2.gz CSHRTDSHQYFEQE-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CC(CCO)C2)c1 ZINC000898007938 631999237 /nfs/dbraw/zinc/99/92/37/631999237.db2.gz LFOXVUZAGROPEU-UHFFFAOYSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)c1cccc(-n2cccc2)c1)[N+](=O)[O-] ZINC000813100108 632621216 /nfs/dbraw/zinc/62/12/16/632621216.db2.gz MSNYVDYBFAPLJQ-LLVKDONJSA-N 0 3 274.276 2.299 20 5 CEBDHN Cc1ccc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107765 632624803 /nfs/dbraw/zinc/62/48/03/632624803.db2.gz VYNYWUYPUABCIT-LLVKDONJSA-N 0 3 251.282 2.054 20 5 CEBDHN CC(COC(=O)Cc1cc(Cl)cc2c1OCC2)[N+](=O)[O-] ZINC000813108982 632625547 /nfs/dbraw/zinc/62/55/47/632625547.db2.gz NJKIELLMRNNDGS-MRVPVSSYSA-N 0 3 299.710 2.026 20 5 CEBDHN CC(C)Cc1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813109900 632626816 /nfs/dbraw/zinc/62/68/16/632626816.db2.gz QCZYXJPOBSONPC-QMMMGPOBSA-N 0 3 272.326 2.164 20 5 CEBDHN CC(COC(=O)/C=C\c1cccc(F)c1)[N+](=O)[O-] ZINC000813113437 632628793 /nfs/dbraw/zinc/62/87/93/632628793.db2.gz PXHLIVITJOUYOA-SSJHQANKSA-N 0 3 253.229 2.047 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1cccc(F)c1)[N+](=O)[O-] ZINC000813115074 632629501 /nfs/dbraw/zinc/62/95/01/632629501.db2.gz KCFHYWROTIVKQI-ZJUUUORDSA-N 0 3 269.272 2.213 20 5 CEBDHN Cc1ccncc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819350495 634149487 /nfs/dbraw/zinc/14/94/87/634149487.db2.gz OPGQKIBJSAKOAA-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN COc1cc([C@@H](C)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056191 634948597 /nfs/dbraw/zinc/94/85/97/634948597.db2.gz RIOYOQFVTLXCHI-ZWNOBZJWSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1COC[C@@H]1C ZINC000903393775 635090430 /nfs/dbraw/zinc/09/04/30/635090430.db2.gz STQYFPZVBHOWMX-KWBADKCTSA-N 0 3 280.324 2.289 20 5 CEBDHN O=C(CCNC/C=C/Cl)Nc1ccccc1[N+](=O)[O-] ZINC000905707507 636399471 /nfs/dbraw/zinc/39/94/71/636399471.db2.gz KCUJVJBSYJSINM-XVNBXDOJSA-N 0 3 283.715 2.266 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(CO)CC1 ZINC000876563974 650332166 /nfs/dbraw/zinc/33/21/66/650332166.db2.gz HFKCSTWPZVGDGS-UHFFFAOYSA-N 0 3 278.352 2.416 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H]2C2CC2)cc1 ZINC000834382181 637806481 /nfs/dbraw/zinc/80/64/81/637806481.db2.gz FTTLXGKGXRUIRO-KGLIPLIRSA-N 0 3 262.309 2.113 20 5 CEBDHN C[C@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000835062036 638045047 /nfs/dbraw/zinc/04/50/47/638045047.db2.gz XOPPZOLJAOBLLK-CYBMUJFWSA-N 0 3 297.742 2.007 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC[C@@H](C)O ZINC000876746745 650417115 /nfs/dbraw/zinc/41/71/15/650417115.db2.gz VULYTYBJJDWMEG-LLVKDONJSA-N 0 3 266.341 2.414 20 5 CEBDHN C[C@@H](O)C[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109152 639617590 /nfs/dbraw/zinc/61/75/90/639617590.db2.gz FKNBHNRMHLOVCH-RKDXNWHRSA-N 0 3 272.732 2.497 20 5 CEBDHN CN(CC[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000929425139 639940590 /nfs/dbraw/zinc/94/05/90/639940590.db2.gz RFLRSZLOGVSZML-LSDHHAIUSA-N 0 3 278.352 2.363 20 5 CEBDHN CC(COC(=O)C1(C(F)(F)F)CCCC1)[N+](=O)[O-] ZINC000842363717 640030519 /nfs/dbraw/zinc/03/05/19/640030519.db2.gz OGRZBVIJWRYRBE-ZETCQYMHSA-N 0 3 269.219 2.318 20 5 CEBDHN CC(COC(=O)COC[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000845576422 641002288 /nfs/dbraw/zinc/00/22/88/641002288.db2.gz LGMAOWHXDBXTPN-NEPJUHHUSA-N 0 3 281.308 2.015 20 5 CEBDHN CC([C@@H](OC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873228 641118092 /nfs/dbraw/zinc/11/80/92/641118092.db2.gz SFGGYBLFOBLTCN-PRHODGIISA-N 0 3 267.256 2.485 20 5 CEBDHN COC(OC)[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000922312456 643019844 /nfs/dbraw/zinc/01/98/44/643019844.db2.gz YYZJAHIYYBWIHC-BPOWMSRESA-N 0 3 280.324 2.205 20 5 CEBDHN C[C@H](NC[C@@H](O)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000851899167 643215210 /nfs/dbraw/zinc/21/52/10/643215210.db2.gz YSICFBZSHPIUPP-XHDPSFHLSA-N 0 3 287.319 2.374 20 5 CEBDHN CC(C)(C)N1CC[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000853748498 643887372 /nfs/dbraw/zinc/88/73/72/643887372.db2.gz ODVNYKBFAHKBGN-NSHDSACASA-N 0 3 278.356 2.462 20 5 CEBDHN CC(COC(=O)COCc1cccc(Cl)c1)[N+](=O)[O-] ZINC000838964322 644099006 /nfs/dbraw/zinc/09/90/06/644099006.db2.gz HPVUZHLCAYZKFI-SECBINFHSA-N 0 3 287.699 2.065 20 5 CEBDHN C[C@H](NCCOC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000859319165 645456009 /nfs/dbraw/zinc/45/60/09/645456009.db2.gz MEVABGWAMUXRTC-LBPRGKRZSA-N 0 3 294.351 2.441 20 5 CEBDHN Cc1cccc([C@@H]2C[C@H]2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000860776098 645901876 /nfs/dbraw/zinc/90/18/76/645901876.db2.gz BHIUJGHDYQSKAA-KGYLQXTDSA-N 0 3 263.293 2.307 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CCO)C1CC1 ZINC000771799914 646551374 /nfs/dbraw/zinc/55/13/74/646551374.db2.gz NIGGZXRVDGIRGR-LBPRGKRZSA-N 0 3 284.743 2.499 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CCO)C1CC1 ZINC000771799913 646551399 /nfs/dbraw/zinc/55/13/99/646551399.db2.gz NIGGZXRVDGIRGR-GFCCVEGCSA-N 0 3 284.743 2.499 20 5 CEBDHN CCOC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776275136 647044740 /nfs/dbraw/zinc/04/47/40/647044740.db2.gz GJESHZUXRWBFQO-HNNXBMFYSA-N 0 3 294.351 2.129 20 5 CEBDHN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000776578478 647072892 /nfs/dbraw/zinc/07/28/92/647072892.db2.gz GFPVSUYLVMIKGK-LSDHHAIUSA-N 0 3 294.351 2.129 20 5 CEBDHN COC(=O)[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000792200382 648624833 /nfs/dbraw/zinc/62/48/33/648624833.db2.gz ICMUOKOOQIWFSI-ZYHUDNBSSA-N 0 3 278.308 2.026 20 5 CEBDHN C[C@@H](N[C@H]1CCCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872024602 649244230 /nfs/dbraw/zinc/24/42/30/649244230.db2.gz UHVDNEMZPPKSCD-MNOVXSKESA-N 0 3 281.331 2.479 20 5 CEBDHN CC[C@H](NCc1onc(C)c1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880471250 651446503 /nfs/dbraw/zinc/44/65/03/651446503.db2.gz YDRNHMKVFHPBBL-QWRGUYRKSA-N 0 3 283.328 2.186 20 5 CEBDHN CC[C@@H](N)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227441 651641525 /nfs/dbraw/zinc/64/15/25/651641525.db2.gz WIFNVGBUJOHXRC-SNVBAGLBSA-N 0 3 295.730 2.298 20 5 CEBDHN CCN1CC[C@H]1CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000882958691 652289083 /nfs/dbraw/zinc/28/90/83/652289083.db2.gz HVPZPTSJVMUXSQ-LBPRGKRZSA-N 0 3 286.335 2.071 20 5 CEBDHN CC[S@@](=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130870674 652350709 /nfs/dbraw/zinc/35/07/09/652350709.db2.gz YFPOXZRECGYKJX-WLRWDXFRSA-N 0 3 284.381 2.322 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccoc2)cc1 ZINC000134485945 652846817 /nfs/dbraw/zinc/84/68/17/652846817.db2.gz IALWYHXSPBNQHC-ZDUSSCGKSA-N 0 3 262.265 2.011 20 5 CEBDHN CC[S@@](=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135461702 652969264 /nfs/dbraw/zinc/96/92/64/652969264.db2.gz ZOLMAAIECYBOQS-YPMLDQLKSA-N 0 3 270.354 2.014 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)C)CC1 ZINC000268326984 719329166 /nfs/dbraw/zinc/32/91/66/719329166.db2.gz AAZOLGJJGSHISH-UHFFFAOYSA-N 0 3 278.356 2.076 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CNC2CC(F)(F)C2)cc1 ZINC000697457876 806390389 /nfs/dbraw/zinc/39/03/89/806390389.db2.gz ZHGWGJDLFSCFDK-LLVKDONJSA-N 0 3 272.251 2.016 20 5 CEBDHN CCOc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C)C1 ZINC001167275076 802622892 /nfs/dbraw/zinc/62/28/92/802622892.db2.gz CZHXEVJZTHTDIC-JTQLQIEISA-N 0 3 265.313 2.110 20 5 CEBDHN CN1CC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000712582381 814754672 /nfs/dbraw/zinc/75/46/72/814754672.db2.gz QLJJEKOYPCPXRW-NSHDSACASA-N 0 3 269.732 2.042 20 5 CEBDHN C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000700628003 809333332 /nfs/dbraw/zinc/33/33/32/809333332.db2.gz WNIFWXZERJFYIO-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000700628004 809333843 /nfs/dbraw/zinc/33/38/43/809333843.db2.gz WNIFWXZERJFYIO-RKDXNWHRSA-N 0 3 297.742 2.071 20 5 CEBDHN O=[N+]([O-])c1cc(CNCCc2ccns2)cs1 ZINC000709954520 809977626 /nfs/dbraw/zinc/97/76/26/809977626.db2.gz SXPDJJQBUDMZLX-UHFFFAOYSA-N 0 3 269.351 2.445 20 5 CEBDHN CC(=O)[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168969520 811320485 /nfs/dbraw/zinc/32/04/85/811320485.db2.gz FEAVULIGNJXEAO-CFVMTHIKSA-N 0 3 276.336 2.352 20 5 CEBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975656 811323894 /nfs/dbraw/zinc/32/38/94/811323894.db2.gz WQKTWDHBBZCCQS-ONGXEEELSA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1NCCc1cncs1)CNC2 ZINC001169866667 811697593 /nfs/dbraw/zinc/69/75/93/811697593.db2.gz HDCDCDAYSJKLDJ-UHFFFAOYSA-N 0 3 290.348 2.309 20 5 CEBDHN CC(C)(C)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123611945 815537306 /nfs/dbraw/zinc/53/73/06/815537306.db2.gz QGCIWDIKZRSODI-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN CC(=O)CN(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907919 815540539 /nfs/dbraw/zinc/54/05/39/815540539.db2.gz JQVSBUKVNJGCAT-CQSZACIVSA-N 0 3 276.336 2.363 20 5 CEBDHN NCc1cncn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896666 815543569 /nfs/dbraw/zinc/54/35/69/815543569.db2.gz QTGXTHGRZOOWFS-CYBMUJFWSA-N 0 3 286.335 2.370 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cccnn1 ZINC001173215629 815623287 /nfs/dbraw/zinc/62/32/87/815623287.db2.gz XMINDVFSLNKXPW-LLVKDONJSA-N 0 3 272.308 2.106 20 5 CEBDHN CC(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177697230 816607955 /nfs/dbraw/zinc/60/79/55/816607955.db2.gz XRBAGNZFPAHZBP-UHFFFAOYSA-N 0 3 299.396 2.442 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)C2CC2)n1 ZINC000124352945 187133713 /nfs/dbraw/zinc/13/37/13/187133713.db2.gz JQDFGBLPGCJBMB-JTQLQIEISA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](CO)C1 ZINC000601292566 346813610 /nfs/dbraw/zinc/81/36/10/346813610.db2.gz YMWICZQIUKRQRM-SDDRHHMPSA-N 0 3 264.325 2.325 20 5 CEBDHN C[C@@H](NCC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298731 346815551 /nfs/dbraw/zinc/81/55/51/346815551.db2.gz KDLSQEDKVKPFJO-KCJUWKMLSA-N 0 3 274.267 2.262 20 5 CEBDHN CC[C@@H](N[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000121301855 365548920 /nfs/dbraw/zinc/54/89/20/365548920.db2.gz PWEGMBBSFCJUNJ-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](NC[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125432786 187184638 /nfs/dbraw/zinc/18/46/38/187184638.db2.gz PEUXAJNPDXHRTA-WFASDCNBSA-N 0 3 294.351 2.035 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2COC[C@@H]2C2CC2)c1 ZINC000725270125 539215006 /nfs/dbraw/zinc/21/50/06/539215006.db2.gz XTRIRKDTVKOOAI-ZIAGYGMSSA-N 0 3 262.309 2.109 20 5 CEBDHN Cc1nnsc1CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449333113 282191116 /nfs/dbraw/zinc/19/11/16/282191116.db2.gz ACBDJNVBCISRNG-SECBINFHSA-N 0 3 292.364 2.476 20 5 CEBDHN CCN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000047698390 343521220 /nfs/dbraw/zinc/52/12/20/343521220.db2.gz XJMUMGWZMMLKKQ-LBPRGKRZSA-N 0 3 264.325 2.453 20 5 CEBDHN CC(C)N(CCN(C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295063028 199325667 /nfs/dbraw/zinc/32/56/67/199325667.db2.gz POBFIDOLZWANOA-UHFFFAOYSA-N 0 3 291.355 2.248 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000059394079 343652976 /nfs/dbraw/zinc/65/29/76/343652976.db2.gz DJBGJOLGKNCUPH-UHFFFAOYSA-N 0 3 261.325 2.127 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067571511 343739168 /nfs/dbraw/zinc/73/91/68/343739168.db2.gz IRVGYPMSPKXTFY-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2CCO)cc1 ZINC000069249337 343784219 /nfs/dbraw/zinc/78/42/19/343784219.db2.gz YNXJLHNLETYFLO-ZDUSSCGKSA-N 0 3 294.351 2.211 20 5 CEBDHN CC[C@@H]1CCCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475331 347049926 /nfs/dbraw/zinc/04/99/26/347049926.db2.gz UCRCZQXGESTKQS-GFCCVEGCSA-N 0 3 266.345 2.483 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000227496987 344553397 /nfs/dbraw/zinc/55/33/97/344553397.db2.gz MXNVLMBECOFMTM-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000602483766 347055238 /nfs/dbraw/zinc/05/52/38/347055238.db2.gz LCZFKEOLPPTPQR-QWRGUYRKSA-N 0 3 266.345 2.196 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCN1C ZINC000236851264 344597666 /nfs/dbraw/zinc/59/76/66/344597666.db2.gz CUZDHPAENTZYEL-CQSZACIVSA-N 0 3 293.367 2.177 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000052103359 362466287 /nfs/dbraw/zinc/46/62/87/362466287.db2.gz BLISICKUWMENRR-LBPRGKRZSA-N 0 3 280.324 2.084 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297626 362490441 /nfs/dbraw/zinc/49/04/41/362490441.db2.gz WZTLTUVUPNBFJV-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@H](O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602575342 347084919 /nfs/dbraw/zinc/08/49/19/347084919.db2.gz GDRKPDWWUCIDBL-ZETCQYMHSA-N 0 3 278.230 2.084 20 5 CEBDHN CC[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061802 178781750 /nfs/dbraw/zinc/78/17/50/178781750.db2.gz VTZFWMAUNXPMLM-GXTWGEPZSA-N 0 3 291.351 2.256 20 5 CEBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)CF ZINC000589207912 345072242 /nfs/dbraw/zinc/07/22/42/345072242.db2.gz ZIRCTCYIEBKFLE-ZJUUUORDSA-N 0 3 283.303 2.260 20 5 CEBDHN CCOc1cc(CN(C)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593107723 345441277 /nfs/dbraw/zinc/44/12/77/345441277.db2.gz HJWDPSODQPOIRM-NSHDSACASA-N 0 3 282.340 2.196 20 5 CEBDHN CC[C@](C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495749 345638158 /nfs/dbraw/zinc/63/81/58/345638158.db2.gz VERBIAFHJQLVSQ-OCCSQVGLSA-N 0 3 264.325 2.333 20 5 CEBDHN CO[C@](C)(CO)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594511002 345640956 /nfs/dbraw/zinc/64/09/56/345640956.db2.gz QFVFHRCYHXAYQC-HNNXBMFYSA-N 0 3 296.367 2.205 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2ccns2)c1 ZINC000602579784 347086997 /nfs/dbraw/zinc/08/69/97/347086997.db2.gz HASFAAWCWFKEFW-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CCOc1ccc([C@H](C)NC/C=C/CO)cc1[N+](=O)[O-] ZINC000595074064 345740349 /nfs/dbraw/zinc/74/03/49/345740349.db2.gz VGWGNCIRELKTCM-ZWNMCFTASA-N 0 3 280.324 2.193 20 5 CEBDHN CC1(C)C[C@@H](N[C@H]2C[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000595105081 345742877 /nfs/dbraw/zinc/74/28/77/345742877.db2.gz WZASCFQEWNPNOP-GLXFQSAKSA-N 0 3 276.336 2.430 20 5 CEBDHN CC[C@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921475 345702586 /nfs/dbraw/zinc/70/25/86/345702586.db2.gz BWPWKYDJINYIOA-AAEUAGOBSA-N 0 3 280.324 2.131 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)CC2CC2)cc1 ZINC000594981872 345721348 /nfs/dbraw/zinc/72/13/48/345721348.db2.gz BKEFVLCBPQLXSB-CYBMUJFWSA-N 0 3 264.325 2.093 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C)COC1 ZINC000595015339 345727551 /nfs/dbraw/zinc/72/75/51/345727551.db2.gz CDSCPXVDVOEVFH-JTQLQIEISA-N 0 3 280.324 2.291 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CO)CCC1 ZINC000595034536 345732036 /nfs/dbraw/zinc/73/20/36/345732036.db2.gz XJPBZOBCWOWBMN-NSHDSACASA-N 0 3 294.351 2.417 20 5 CEBDHN C[C@@H](N[C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056639 345736266 /nfs/dbraw/zinc/73/62/66/345736266.db2.gz OTIOMJFOALQJFG-YGRLFVJLSA-N 0 3 264.325 2.406 20 5 CEBDHN CCOc1cc(CN2CCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000595766522 345870871 /nfs/dbraw/zinc/87/08/71/345870871.db2.gz OODKKTHBOIFPFD-DGCLKSJQSA-N 0 3 294.351 2.339 20 5 CEBDHN CC(C)C[N@@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596164135 345957375 /nfs/dbraw/zinc/95/73/75/345957375.db2.gz WCHALZVYSZGCNV-LLVKDONJSA-N 0 3 294.355 2.085 20 5 CEBDHN CC(C)C[N@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596164135 345957379 /nfs/dbraw/zinc/95/73/79/345957379.db2.gz WCHALZVYSZGCNV-LLVKDONJSA-N 0 3 294.355 2.085 20 5 CEBDHN CN1CCN(c2cccnc2[N+](=O)[O-])CC12CCCCC2 ZINC000596250644 345980684 /nfs/dbraw/zinc/98/06/84/345980684.db2.gz JXCAUMYWTHURPS-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN(CC3CC3)C2)s1 ZINC000596569674 346057486 /nfs/dbraw/zinc/05/74/86/346057486.db2.gz BLDFRVNOJRJOEL-NSHDSACASA-N 0 3 296.396 2.007 20 5 CEBDHN CC1(NCc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000311670328 201896386 /nfs/dbraw/zinc/89/63/86/201896386.db2.gz HRWSAUJBYBWDEW-UHFFFAOYSA-N 0 3 268.288 2.393 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597052418 346121071 /nfs/dbraw/zinc/12/10/71/346121071.db2.gz BTWCEEVRFCUNPO-DOMZBBRYSA-N 0 3 292.335 2.131 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597219169 346151940 /nfs/dbraw/zinc/15/19/40/346151940.db2.gz ZVWXAZJHFXDODF-KMUUFKDPSA-N 0 3 290.319 2.149 20 5 CEBDHN CC[C@H](NC[C@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066526 346455060 /nfs/dbraw/zinc/45/50/60/346455060.db2.gz RRYZWNXMKWQNSM-KKUMJFAQSA-N 0 3 294.351 2.175 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)[C@H]1CCCO1 ZINC000599067300 346455258 /nfs/dbraw/zinc/45/52/58/346455258.db2.gz YZRODXFVMQWABU-TUKIKUTGSA-N 0 3 294.351 2.094 20 5 CEBDHN C[C@@H](NCCN(C)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599091000 346458501 /nfs/dbraw/zinc/45/85/01/346458501.db2.gz VODKCBPWIJYLJI-SNVBAGLBSA-N 0 3 287.310 2.442 20 5 CEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)C1(F)F ZINC000599513317 346530842 /nfs/dbraw/zinc/53/08/42/346530842.db2.gz SAVZDUUBSZMEIE-AOOOYVTPSA-N 0 3 288.298 2.014 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCN(C)CC1 ZINC000599985871 346589542 /nfs/dbraw/zinc/58/95/42/346589542.db2.gz MQVXJMCLUNMGNU-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN Cc1ccc(CN(C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000600188870 346618712 /nfs/dbraw/zinc/61/87/12/346618712.db2.gz FENIJUHIUBKOLW-UHFFFAOYSA-N 0 3 264.325 2.372 20 5 CEBDHN Cc1ccc(-c2ccc(N3CCNCC3)nc2)cc1[N+](=O)[O-] ZINC000600788933 346690818 /nfs/dbraw/zinc/69/08/18/346690818.db2.gz CALKDILOTBRISI-UHFFFAOYSA-N 0 3 298.346 2.375 20 5 CEBDHN CCC[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000601140354 346766987 /nfs/dbraw/zinc/76/69/87/346766987.db2.gz UMQNVXONLRIINY-NSHDSACASA-N 0 3 270.304 2.375 20 5 CEBDHN CCC[C@@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000601140555 346767042 /nfs/dbraw/zinc/76/70/42/346767042.db2.gz YKFMVBCZPKAEQP-LBPRGKRZSA-N 0 3 252.314 2.236 20 5 CEBDHN CCC[C@@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000601140171 346767061 /nfs/dbraw/zinc/76/70/61/346767061.db2.gz SEZXMVHNERYITL-LBPRGKRZSA-N 0 3 252.314 2.236 20 5 CEBDHN CN(CC1CN(C)C1)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601194588 346783632 /nfs/dbraw/zinc/78/36/32/346783632.db2.gz KYESBVIXWWSLDR-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(O)c1 ZINC000602803784 347205929 /nfs/dbraw/zinc/20/59/29/347205929.db2.gz DMMQGKDIEXVUBQ-SNVBAGLBSA-N 0 3 290.323 2.156 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccccc1 ZINC000602807557 347207620 /nfs/dbraw/zinc/20/76/20/347207620.db2.gz VYPVRYQMFBYETC-LLVKDONJSA-N 0 3 274.324 2.451 20 5 CEBDHN COCC1(C2CC2)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602733071 347176734 /nfs/dbraw/zinc/17/67/34/347176734.db2.gz SKGVAUBLSNSMOH-UHFFFAOYSA-N 0 3 290.363 2.496 20 5 CEBDHN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000602750840 347184954 /nfs/dbraw/zinc/18/49/54/347184954.db2.gz FCQSPYKOIMOYHD-LBPRGKRZSA-N 0 3 281.381 2.182 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCCC[C@@]21C ZINC000602918083 347246295 /nfs/dbraw/zinc/24/62/95/347246295.db2.gz QTDYFIZSMIMUBW-JSGCOSHPSA-N 0 3 278.356 2.364 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2C[C@@]2(O)C1 ZINC000603090525 347285451 /nfs/dbraw/zinc/28/54/51/347285451.db2.gz VKFVNSHTUYTKFP-MISXGVKJSA-N 0 3 262.309 2.031 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCF)CC1 ZINC000602949327 347254797 /nfs/dbraw/zinc/25/47/97/347254797.db2.gz YGJAADQILIVQQS-UHFFFAOYSA-N 0 3 284.335 2.171 20 5 CEBDHN CC[C@@](C)(N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186563 347303296 /nfs/dbraw/zinc/30/32/96/347303296.db2.gz SLOXJVWTBRNJRQ-IINYFYTJSA-N 0 3 289.339 2.380 20 5 CEBDHN COc1cc(CSCCN(C)C)ccc1[N+](=O)[O-] ZINC000351840160 219222618 /nfs/dbraw/zinc/22/26/18/219222618.db2.gz MIALOBMVKXFFHL-UHFFFAOYSA-N 0 3 270.354 2.398 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCN(C)C1 ZINC000608782021 347616208 /nfs/dbraw/zinc/61/62/08/347616208.db2.gz GYWIOCXJWKVQMA-ZDUSSCGKSA-N 0 3 293.367 2.177 20 5 CEBDHN COC[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000610605118 347695325 /nfs/dbraw/zinc/69/53/25/347695325.db2.gz LSMCJPSKQVFGST-LBPRGKRZSA-N 0 3 250.298 2.206 20 5 CEBDHN CCCNC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000129929780 365907629 /nfs/dbraw/zinc/90/76/29/365907629.db2.gz FIEKMANKWOCDSC-GFCCVEGCSA-N 0 3 293.367 2.470 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC2CC2)c(Cl)c1 ZINC000612187528 347854841 /nfs/dbraw/zinc/85/48/41/347854841.db2.gz SRFUSPJSTNKXAD-LLVKDONJSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1c(CN[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000103958604 185868527 /nfs/dbraw/zinc/86/85/27/185868527.db2.gz WWFDUDOAXQSVOK-LBPRGKRZSA-N 0 3 250.298 2.172 20 5 CEBDHN Cc1nn(CCN2C[C@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000568770361 299152981 /nfs/dbraw/zinc/15/29/81/299152981.db2.gz UIHCVSVZTRPOEN-PHIMTYICSA-N 0 3 280.372 2.386 20 5 CEBDHN COc1cc(NCC2=CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000273960697 192379296 /nfs/dbraw/zinc/37/92/96/192379296.db2.gz NUIUQIRBEXDDSQ-UHFFFAOYSA-N 0 3 295.314 2.416 20 5 CEBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1O ZINC000273485505 192169425 /nfs/dbraw/zinc/16/94/25/192169425.db2.gz VPUHGRHOHWMIOX-RISCZKNCSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H](N[C@@H](CO)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000411982704 233309174 /nfs/dbraw/zinc/30/91/74/233309174.db2.gz BOKSTGRSLAIVHC-WHOFXGATSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@@H]1[C@H](CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000412087511 233333945 /nfs/dbraw/zinc/33/39/45/233333945.db2.gz OZIPSENTVWDVDX-YPMHNXCESA-N 0 3 264.325 2.188 20 5 CEBDHN CCN1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000104954399 186035358 /nfs/dbraw/zinc/03/53/58/186035358.db2.gz SPFXQUQFRGLNFN-UHFFFAOYSA-N 0 3 293.367 2.001 20 5 CEBDHN COCCCN(CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092221084 180346036 /nfs/dbraw/zinc/34/60/36/180346036.db2.gz RCRRNXINDWKZLV-UHFFFAOYSA-N 0 3 296.367 2.388 20 5 CEBDHN CC(C)CN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000337014913 365985992 /nfs/dbraw/zinc/98/59/92/365985992.db2.gz KIXQAGJILWLHHH-LLVKDONJSA-N 0 3 298.412 2.396 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121852323 187000399 /nfs/dbraw/zinc/00/03/99/187000399.db2.gz DPFXKFMNNLMPCX-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CCC(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450880795 282816341 /nfs/dbraw/zinc/81/63/41/282816341.db2.gz LTGJIJRDBGNOPH-UHFFFAOYSA-N 0 3 294.355 2.188 20 5 CEBDHN CC(C)(NCCC1OCCO1)c1ccccc1[N+](=O)[O-] ZINC000292078760 198154628 /nfs/dbraw/zinc/15/46/28/198154628.db2.gz FKRLUBNXHNEWHU-UHFFFAOYSA-N 0 3 280.324 2.183 20 5 CEBDHN C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154386097 188138910 /nfs/dbraw/zinc/13/89/10/188138910.db2.gz UEIPZBDDLOQTRQ-GWCFXTLKSA-N 0 3 250.298 2.113 20 5 CEBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000074136976 363298891 /nfs/dbraw/zinc/29/88/91/363298891.db2.gz YIQQVKXKUGEPFH-CQSZACIVSA-N 0 3 293.367 2.301 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451544151 283028072 /nfs/dbraw/zinc/02/80/72/283028072.db2.gz MJAYNHFWZPOTKO-IUODEOHRSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1cnn(CCN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338390390 366334453 /nfs/dbraw/zinc/33/44/53/366334453.db2.gz XJBFHFRYMXDYNH-UHFFFAOYSA-N 0 3 288.351 2.274 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338481564 366377665 /nfs/dbraw/zinc/37/76/65/366377665.db2.gz ZFBAWFWRTMMJHL-CYBMUJFWSA-N 0 3 291.351 2.050 20 5 CEBDHN C[C@@H]1C[C@@H](CNCc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414513131 236396007 /nfs/dbraw/zinc/39/60/07/236396007.db2.gz JSAITIZYFMJQRX-WZRBSPASSA-N 0 3 264.325 2.498 20 5 CEBDHN CC(C)[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135465075 366443680 /nfs/dbraw/zinc/44/36/80/366443680.db2.gz HGQXBSHOIWBKND-GXFFZTMASA-N 0 3 252.314 2.262 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)CCCO ZINC000294884342 199230641 /nfs/dbraw/zinc/23/06/41/199230641.db2.gz VVIZAJKBECAWLW-LBPRGKRZSA-N 0 3 296.367 2.492 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCN(CC(F)F)C2)cc1 ZINC000418140195 237320865 /nfs/dbraw/zinc/32/08/65/237320865.db2.gz VGWLMDNRQRGVIV-NSHDSACASA-N 0 3 285.294 2.024 20 5 CEBDHN COC1([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000453149767 283487070 /nfs/dbraw/zinc/48/70/70/283487070.db2.gz MNRBKFXOIVDXLT-GFCCVEGCSA-N 0 3 294.351 2.269 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000151888453 366672592 /nfs/dbraw/zinc/67/25/92/366672592.db2.gz XRWWDAXCJYQHPK-UHFFFAOYSA-N 0 3 279.340 2.007 20 5 CEBDHN CCN(CC)CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177842405 189073852 /nfs/dbraw/zinc/07/38/52/189073852.db2.gz CQEKAHSVMASPPZ-LBPRGKRZSA-N 0 3 293.367 2.422 20 5 CEBDHN COC(=O)C[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000179137066 189172246 /nfs/dbraw/zinc/17/22/46/189172246.db2.gz DJTUNAMJIVNUPV-CYBMUJFWSA-N 0 3 292.335 2.431 20 5 CEBDHN COc1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000342241511 216275480 /nfs/dbraw/zinc/27/54/80/216275480.db2.gz ZSFWGFKXZNFDJW-IUCAKERBSA-N 0 3 272.251 2.347 20 5 CEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCCN1 ZINC000083896536 363790260 /nfs/dbraw/zinc/79/02/60/363790260.db2.gz BJTXMYHBCOUYMM-GFCCVEGCSA-N 0 3 263.297 2.066 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C)C(C)(C)C1 ZINC000581496481 366787065 /nfs/dbraw/zinc/78/70/65/366787065.db2.gz JJECJHIYSXBTJQ-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN CN(CC1CCN(C)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000103453065 364656281 /nfs/dbraw/zinc/65/62/81/364656281.db2.gz BNKZPUUHGQHMRU-UHFFFAOYSA-N 0 3 291.351 2.009 20 5 CEBDHN COCC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000112352861 364796719 /nfs/dbraw/zinc/79/67/19/364796719.db2.gz HGOYUXWHEPITMD-UHFFFAOYSA-N 0 3 294.351 2.332 20 5 CEBDHN Cn1ccc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000572200885 299352019 /nfs/dbraw/zinc/35/20/19/299352019.db2.gz JXKMKAYNMSMAJI-UHFFFAOYSA-N 0 3 299.334 2.142 20 5 CEBDHN CCC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000120918837 365495526 /nfs/dbraw/zinc/49/55/26/365495526.db2.gz SRBUUBIEMAOQPC-GFCCVEGCSA-N 0 3 266.345 2.303 20 5 CEBDHN CC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159725602 366943105 /nfs/dbraw/zinc/94/31/05/366943105.db2.gz GKKOPRFWIQIWBK-LBPRGKRZSA-N 0 3 279.340 2.021 20 5 CEBDHN Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000340584947 366945390 /nfs/dbraw/zinc/94/53/90/366945390.db2.gz WCFJIZZEVWSBGK-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1NCCN(C)C1CC1 ZINC000584480395 367163057 /nfs/dbraw/zinc/16/30/57/367163057.db2.gz ZVXGRKNUEKXFNQ-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597922468 367209404 /nfs/dbraw/zinc/20/94/04/367209404.db2.gz DCZQHXMXPNGCFJ-GFCCVEGCSA-N 0 3 291.351 2.197 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000170687713 367398240 /nfs/dbraw/zinc/39/82/40/367398240.db2.gz GPBBKNWVLMJKCY-CQSZACIVSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@@H](N[C@H]1CCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000173432260 367910996 /nfs/dbraw/zinc/91/09/96/367910996.db2.gz XLTNQLHCQJHFST-ICCXJUOJSA-N 0 3 250.298 2.159 20 5 CEBDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173434478 367911156 /nfs/dbraw/zinc/91/11/56/367911156.db2.gz VWXAZTKPCFETHT-GIPNMCIBSA-N 0 3 284.381 2.358 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[C@H]1O ZINC000246039524 370902184 /nfs/dbraw/zinc/90/21/84/370902184.db2.gz AJAQAFFOABXHSB-TZMCWYRMSA-N 0 3 264.325 2.188 20 5 CEBDHN CCS[C@@H]1CCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000348482412 369059837 /nfs/dbraw/zinc/05/98/37/369059837.db2.gz VZGPVMCKISZANP-MWLCHTKSSA-N 0 3 284.385 2.092 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@@H](CC)CO)cc1[N+](=O)[O-] ZINC000188672047 369392530 /nfs/dbraw/zinc/39/25/30/369392530.db2.gz OQNUWHDRGPRSSD-JQWIXIFHSA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@@H](O)C2)c(Cl)c1 ZINC000188847281 369418280 /nfs/dbraw/zinc/41/82/80/369418280.db2.gz ROQKPGDXDRDZKC-BXKDBHETSA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C[C@H](C)O)C(C)C ZINC000349976590 369472978 /nfs/dbraw/zinc/47/29/78/369472978.db2.gz PTCNJSRVZVSFNY-LBPRGKRZSA-N 0 3 266.341 2.494 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1CC(N)=O ZINC000350006924 369481597 /nfs/dbraw/zinc/48/15/97/369481597.db2.gz GGYZJSIIESJKMV-CYBMUJFWSA-N 0 3 291.351 2.133 20 5 CEBDHN Cc1ccsc1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000358275725 370988124 /nfs/dbraw/zinc/98/81/24/370988124.db2.gz QARGUXRAJFIZQQ-UHFFFAOYSA-N 0 3 280.353 2.293 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267466 370984628 /nfs/dbraw/zinc/98/46/28/370984628.db2.gz QBFZJWLBMXKTGM-ZLKJLUDKSA-N 0 3 291.351 2.160 20 5 CEBDHN Cc1cc(-c2noc([C@@H]3CCN(C)C3)n2)cc([N+](=O)[O-])c1 ZINC000351150076 369613751 /nfs/dbraw/zinc/61/37/51/369613751.db2.gz SMHODNSOEMDXKM-SNVBAGLBSA-N 0 3 288.307 2.372 20 5 CEBDHN CO[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000190931152 369662931 /nfs/dbraw/zinc/66/29/31/369662931.db2.gz IWZBWTHAUYXRQO-VHSXEESVSA-N 0 3 256.327 2.313 20 5 CEBDHN CN(CC[C@@H]1CCCCN1C)c1ncc([N+](=O)[O-])s1 ZINC000192467376 369816652 /nfs/dbraw/zinc/81/66/52/369816652.db2.gz GMHSSKOLQINSJR-JTQLQIEISA-N 0 3 284.385 2.362 20 5 CEBDHN C[C@@H]1CCCN(CCNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192778989 369853295 /nfs/dbraw/zinc/85/32/95/369853295.db2.gz PETYXZCDAMOFOM-LLVKDONJSA-N 0 3 278.356 2.321 20 5 CEBDHN Nc1ccc([N+](=O)[O-])c(NCCN2CCCCC2)c1 ZINC000193386409 369936334 /nfs/dbraw/zinc/93/63/34/369936334.db2.gz XLAXVCAKHRRFID-UHFFFAOYSA-N 0 3 264.329 2.075 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@](C)(CO)C(C)C ZINC000352892654 369937696 /nfs/dbraw/zinc/93/76/96/369937696.db2.gz LLOLZOSAFMXVJC-CQSZACIVSA-N 0 3 282.340 2.100 20 5 CEBDHN CC[C@H](CNc1ncc([N+](=O)[O-])s1)N1CCCC1 ZINC000195508715 370134908 /nfs/dbraw/zinc/13/49/08/370134908.db2.gz MYJCEGFIPILKMG-SECBINFHSA-N 0 3 270.358 2.338 20 5 CEBDHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000221255257 370240328 /nfs/dbraw/zinc/24/03/28/370240328.db2.gz FVCOUJXVQSPVNR-SNVBAGLBSA-N 0 3 253.277 2.240 20 5 CEBDHN Cc1c(CN[C@H](C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591458 370407557 /nfs/dbraw/zinc/40/75/57/370407557.db2.gz FATYDUDPFQLRBJ-MWLCHTKSSA-N 0 3 252.314 2.010 20 5 CEBDHN CC[C@@](C)(CCO)NCc1csc([N+](=O)[O-])c1 ZINC000230222318 370446710 /nfs/dbraw/zinc/44/67/10/370446710.db2.gz VHROTDBAKFMBFX-NSHDSACASA-N 0 3 258.343 2.297 20 5 CEBDHN CO[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251698511 371412044 /nfs/dbraw/zinc/41/20/44/371412044.db2.gz JUUAMLDIIRQJDJ-SMDDNHRTSA-N 0 3 264.325 2.452 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252890337 371488868 /nfs/dbraw/zinc/48/88/68/371488868.db2.gz HIPOQPPVUHSXRU-RYUDHWBXSA-N 0 3 295.314 2.009 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H](C)O ZINC000361008809 371596154 /nfs/dbraw/zinc/59/61/54/371596154.db2.gz HHYMVISRRBAOCC-VNKGSWCUSA-N 0 3 264.325 2.311 20 5 CEBDHN CCC[C@@](C)(N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000261596707 371671409 /nfs/dbraw/zinc/67/14/09/371671409.db2.gz NTYYTTVFHIACNE-CYBMUJFWSA-N 0 3 281.312 2.059 20 5 CEBDHN CCN1C[C@@H](C)[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344205621 217098479 /nfs/dbraw/zinc/09/84/79/217098479.db2.gz DGGJBFOLHZOAQQ-BXUZGUMPSA-N 0 3 293.367 2.033 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](C)OC ZINC000268945932 372297893 /nfs/dbraw/zinc/29/78/93/372297893.db2.gz WPOLGPUMUHIQJF-UWVGGRQHSA-N 0 3 268.313 2.116 20 5 CEBDHN CC[C@H](N[C@@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099553 372340611 /nfs/dbraw/zinc/34/06/11/372340611.db2.gz TUHPNFTWPGFXLE-GWCFXTLKSA-N 0 3 279.340 2.160 20 5 CEBDHN C[C@]1(CNCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000344390653 217179438 /nfs/dbraw/zinc/17/94/38/217179438.db2.gz XKYNFKGAWPGXCF-CYBMUJFWSA-N 0 3 250.298 2.111 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000269660060 372523086 /nfs/dbraw/zinc/52/30/86/372523086.db2.gz OLLHUIGFXVVKMF-CYBMUJFWSA-N 0 3 266.341 2.434 20 5 CEBDHN CSC[C@](C)(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000344508189 217216517 /nfs/dbraw/zinc/21/65/17/217216517.db2.gz DGPKTRKOQCGQCB-BRLPQQTGSA-N 0 3 296.392 2.312 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H]1COCCO1 ZINC000344797989 217314904 /nfs/dbraw/zinc/31/49/04/217314904.db2.gz XDJZRTMUXDQVNY-BLMSOEDDSA-N 0 3 292.335 2.003 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)C2CCCC2)c1 ZINC000289529236 197390697 /nfs/dbraw/zinc/39/06/97/197390697.db2.gz MWOADTZMGDOQAG-CQSZACIVSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000374389309 374557964 /nfs/dbraw/zinc/55/79/64/374557964.db2.gz FRKLGEQGELRKND-KBPBESRZSA-N 0 3 276.336 2.453 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCc3c[nH]nc3C2)cs1 ZINC000374541470 374595533 /nfs/dbraw/zinc/59/55/33/374595533.db2.gz NWIUKJDHDAWWKJ-SNVBAGLBSA-N 0 3 278.337 2.027 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(NCCN3CC=CCC3)nc2c1 ZINC000280275165 375152281 /nfs/dbraw/zinc/15/22/81/375152281.db2.gz PGLVCIMZILOCCK-UHFFFAOYSA-N 0 3 287.323 2.145 20 5 CEBDHN CO[C@@H]([C@@H](C)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211707 375284859 /nfs/dbraw/zinc/28/48/59/375284859.db2.gz GJKHURMVIHIDRJ-YGRLFVJLSA-N 0 3 264.325 2.498 20 5 CEBDHN Cc1c(C(=O)NC2(CN(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000281126080 375356983 /nfs/dbraw/zinc/35/69/83/375356983.db2.gz SSOGCWTYPSYJIQ-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137925 375413293 /nfs/dbraw/zinc/41/32/93/375413293.db2.gz BUXZJKXHMGEPEO-GIGQVBGESA-N 0 3 282.365 2.157 20 5 CEBDHN Cc1sc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000408227077 375433371 /nfs/dbraw/zinc/43/33/71/375433371.db2.gz QXPXTRTXXXYUAL-PSASIEDQSA-N 0 3 297.380 2.177 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283145677 375663556 /nfs/dbraw/zinc/66/35/56/375663556.db2.gz OGISEFTZFLESAC-VHSXEESVSA-N 0 3 298.314 2.411 20 5 CEBDHN C[C@]1(F)CNCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414770811 375958749 /nfs/dbraw/zinc/95/87/49/375958749.db2.gz PLKYYVCSHQVGFL-VOKGJARPSA-N 0 3 293.342 2.241 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)C ZINC000287424389 376230179 /nfs/dbraw/zinc/23/01/79/376230179.db2.gz DXXSXUOFXVTULH-NSHDSACASA-N 0 3 294.355 2.283 20 5 CEBDHN COc1ncccc1CCNCc1csc([N+](=O)[O-])c1 ZINC000289676037 376441822 /nfs/dbraw/zinc/44/18/22/376441822.db2.gz CDHKBOFXXBBBTL-UHFFFAOYSA-N 0 3 293.348 2.392 20 5 CEBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000263771469 190077651 /nfs/dbraw/zinc/07/76/51/190077651.db2.gz WOYNJFZJMOAUSP-NSHDSACASA-N 0 3 250.298 2.315 20 5 CEBDHN COc1ccc(CN2C[C@H](C)N(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000330577031 377191583 /nfs/dbraw/zinc/19/15/83/377191583.db2.gz GTLZHNPTJLZGNY-NWDGAFQWSA-N 0 3 293.367 2.128 20 5 CEBDHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292928212 377356987 /nfs/dbraw/zinc/35/69/87/377356987.db2.gz GRAGYPMQYLFNHS-ZDUSSCGKSA-N 0 3 250.298 2.109 20 5 CEBDHN C[C@H](N[C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873952 377461306 /nfs/dbraw/zinc/46/13/06/377461306.db2.gz MCGAOYCOIRLPFX-AAEUAGOBSA-N 0 3 286.335 2.457 20 5 CEBDHN N[C@H]1CCCc2cn(Cc3ccccc3[N+](=O)[O-])nc21 ZINC000564840937 377474017 /nfs/dbraw/zinc/47/40/17/377474017.db2.gz ZIAJYWCIVLTNSE-LBPRGKRZSA-N 0 3 272.308 2.176 20 5 CEBDHN CSCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332696440 377673728 /nfs/dbraw/zinc/67/37/28/377673728.db2.gz SPKHLMMVGJNVMT-UHFFFAOYSA-N 0 3 267.354 2.101 20 5 CEBDHN COc1cc(CN(C)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000439276411 377926228 /nfs/dbraw/zinc/92/62/28/377926228.db2.gz UCPJHPLEXOHPTC-JOCQHMNTSA-N 0 3 294.351 2.339 20 5 CEBDHN CCN1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000265998726 190221765 /nfs/dbraw/zinc/22/17/65/190221765.db2.gz CZXOPJOWLMUOQN-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CO[C@@H](C)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000442997987 378026269 /nfs/dbraw/zinc/02/62/69/378026269.db2.gz HTTKEIWHAXDWHC-XOIDGJRKSA-N 0 3 250.298 2.233 20 5 CEBDHN Cc1cc(Cl)c(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000295352053 378118183 /nfs/dbraw/zinc/11/81/83/378118183.db2.gz QLOBLJSWVPDSTL-UHFFFAOYSA-N 0 3 299.758 2.190 20 5 CEBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000296632504 378598132 /nfs/dbraw/zinc/59/81/32/378598132.db2.gz VSQHVTCAFZFHNR-VIFPVBQESA-N 0 3 282.319 2.212 20 5 CEBDHN COC[C@@](C)(O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000453257390 378844105 /nfs/dbraw/zinc/84/41/05/378844105.db2.gz NCGUGEZIKXUHSA-RISCZKNCSA-N 0 3 282.340 2.033 20 5 CEBDHN COC[C@](C)(O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268692 378850255 /nfs/dbraw/zinc/85/02/55/378850255.db2.gz ZXSOJJJGJYSBEV-SWLSCSKDSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413942 378894071 /nfs/dbraw/zinc/89/40/71/378894071.db2.gz WVKGDIUNAGHRRN-NHYWBVRUSA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1c([C@H](C)NC[C@@]2(O)CCO[C@H]2C)cccc1[N+](=O)[O-] ZINC000278690728 194105310 /nfs/dbraw/zinc/10/53/10/194105310.db2.gz GXUQGUZXDSWLLF-HUBLWGQQSA-N 0 3 294.351 2.094 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCO)C1CC1 ZINC000347351295 218201620 /nfs/dbraw/zinc/20/16/20/218201620.db2.gz DSIRNTGHBSHUFL-XFXZXTDPSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCN(C4CC4)C3)c21 ZINC000347397369 218220071 /nfs/dbraw/zinc/22/00/71/218220071.db2.gz GITYOIUYKHZMMG-SNVBAGLBSA-N 0 3 299.334 2.187 20 5 CEBDHN Cc1ccc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000302257008 379347401 /nfs/dbraw/zinc/34/74/01/379347401.db2.gz OQMQXLBHTGDOPK-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN C[C@@H]1CSC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000302564045 379397386 /nfs/dbraw/zinc/39/73/86/379397386.db2.gz NDRPJLRXNVETBF-SKDRFNHKSA-N 0 3 252.339 2.436 20 5 CEBDHN CC(C)N(Cc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000303989137 379506765 /nfs/dbraw/zinc/50/67/65/379506765.db2.gz KLMBZFQTRBUPMJ-NSHDSACASA-N 0 3 252.314 2.186 20 5 CEBDHN Cc1cc(N[C@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000266854710 190284811 /nfs/dbraw/zinc/28/48/11/190284811.db2.gz SUVYORZAOKSCBU-NSHDSACASA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC(N)=O)C1 ZINC000266936246 190291938 /nfs/dbraw/zinc/29/19/38/190291938.db2.gz OIZZDUWMKGVWNK-NEPJUHHUSA-N 0 3 291.351 2.243 20 5 CEBDHN CCC1(CNCc2ccc([N+](=O)[O-])cc2)COC1 ZINC000347677250 218317241 /nfs/dbraw/zinc/31/72/41/218317241.db2.gz ACEAJFWWVNVNKN-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1 ZINC000267152021 190307467 /nfs/dbraw/zinc/30/74/67/190307467.db2.gz MRVONXFINOPZID-VXGBXAGGSA-N 0 3 264.325 2.360 20 5 CEBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489468706 380193963 /nfs/dbraw/zinc/19/39/63/380193963.db2.gz YLKLAXCNDCUKSY-GXTWGEPZSA-N 0 3 294.351 2.065 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000072089563 285095963 /nfs/dbraw/zinc/09/59/63/285095963.db2.gz BCRFENRHDHRXPW-LBPRGKRZSA-N 0 3 279.315 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000266306763 285128439 /nfs/dbraw/zinc/12/84/39/285128439.db2.gz ZMCOCYJNRUOFLL-CQSZACIVSA-N 0 3 259.309 2.045 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCC[C@H]1O)CCC2 ZINC000249047001 285145251 /nfs/dbraw/zinc/14/52/51/285145251.db2.gz WIOCZTCCXHBRBJ-RBSFLKMASA-N 0 3 276.336 2.475 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000413157187 394494154 /nfs/dbraw/zinc/49/41/54/394494154.db2.gz GWOISAKLKJOJHZ-RKDXNWHRSA-N 0 3 268.292 2.024 20 5 CEBDHN CCCN(CCN1CCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413277281 394518002 /nfs/dbraw/zinc/51/80/02/394518002.db2.gz DMOUEIYFNBUFBT-UHFFFAOYSA-N 0 3 296.346 2.441 20 5 CEBDHN C[C@H](O)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405778 394639957 /nfs/dbraw/zinc/63/99/57/394639957.db2.gz IRINLVXCLMIAHI-WFASDCNBSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@H](NC[C@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015632 394707608 /nfs/dbraw/zinc/70/76/08/394707608.db2.gz YIZPOGDLJSNZFJ-GXFFZTMASA-N 0 3 282.365 2.113 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000270099030 394726144 /nfs/dbraw/zinc/72/61/44/394726144.db2.gz LBWFPRDFFGBLLK-GXTWGEPZSA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@H](NC[C@@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278832406 394836997 /nfs/dbraw/zinc/83/69/97/394836997.db2.gz OYWKWGORFDWLEX-CQDKDKBSSA-N 0 3 294.351 2.175 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@]3(CCOC3)C2)c1 ZINC000153616836 395012309 /nfs/dbraw/zinc/01/23/09/395012309.db2.gz VFBLOKXDZXSQOI-OAHLLOKOSA-N 0 3 292.335 2.086 20 5 CEBDHN CN(C)C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397754087 395225605 /nfs/dbraw/zinc/22/56/05/395225605.db2.gz FNUXMFPBWYHEMM-UHFFFAOYSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@H](N[C@@H](CO)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996089 395345014 /nfs/dbraw/zinc/34/50/14/395345014.db2.gz RIRKPWYDIGRTNG-OBJOEFQTSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])s1 ZINC000443515410 395400959 /nfs/dbraw/zinc/40/09/59/395400959.db2.gz KDBFWNYCIILTJB-UWVGGRQHSA-N 0 3 284.385 2.148 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420645055 395401226 /nfs/dbraw/zinc/40/12/26/395401226.db2.gz ZUFRDSLTUGZTBY-NSHDSACASA-N 0 3 290.367 2.093 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CO[C@H](C)C1 ZINC000567898427 395539956 /nfs/dbraw/zinc/53/99/56/395539956.db2.gz POAVZAPJGWPUDR-PWSUYJOCSA-N 0 3 250.298 2.170 20 5 CEBDHN CN(C)CCSCCOc1ccccc1[N+](=O)[O-] ZINC000446575167 395493892 /nfs/dbraw/zinc/49/38/92/395493892.db2.gz YIWAMEOOMYFKHZ-UHFFFAOYSA-N 0 3 270.354 2.268 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451241933 395597434 /nfs/dbraw/zinc/59/74/34/395597434.db2.gz LYMIKRWUVRPPLR-LBPRGKRZSA-N 0 3 290.323 2.128 20 5 CEBDHN Cc1c(CNC(=O)[C@H](C(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000360517590 155318631 /nfs/dbraw/zinc/31/86/31/155318631.db2.gz ZHSIBYLSFHDAID-AWEZNQCLSA-N 0 3 293.367 2.106 20 5 CEBDHN C[C@@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000230378821 153393597 /nfs/dbraw/zinc/39/35/97/153393597.db2.gz LHKVGRZPVDITHH-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@@H](O)C1 ZINC000230670632 153397752 /nfs/dbraw/zinc/39/77/52/153397752.db2.gz LQEWPFVHRHCYAR-WCQYABFASA-N 0 3 264.325 2.236 20 5 CEBDHN Cc1nc(N(C)[C@@H]2CCN(C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268455331 154142639 /nfs/dbraw/zinc/14/26/39/154142639.db2.gz GSJCGHQFAMUTLV-CMPLNLGQSA-N 0 3 278.356 2.217 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)c2ccncc21 ZINC000302780479 154193978 /nfs/dbraw/zinc/19/39/78/154193978.db2.gz RICKUCYSVBMUQH-UHFFFAOYSA-N 0 3 298.346 2.427 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC3(CCO3)CC2)cc1 ZINC000367088512 156130206 /nfs/dbraw/zinc/13/02/06/156130206.db2.gz WWEKKESAKVRPNT-UHFFFAOYSA-N 0 3 276.336 2.392 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000368617290 156376427 /nfs/dbraw/zinc/37/64/27/156376427.db2.gz WQTKKJBIWVJZPY-CNDDSTCGSA-N 0 3 282.727 2.230 20 5 CEBDHN CN1CC[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000375023678 157039133 /nfs/dbraw/zinc/03/91/33/157039133.db2.gz VHAZRUQMBBKQGH-XHDPSFHLSA-N 0 3 293.342 2.260 20 5 CEBDHN CC[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879504 165119419 /nfs/dbraw/zinc/11/94/19/165119419.db2.gz KUKDSSJJJUMUES-CYBMUJFWSA-N 0 3 266.345 2.303 20 5 CEBDHN C[C@H]1COCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000285471922 196295563 /nfs/dbraw/zinc/29/55/63/196295563.db2.gz KOGNKYSBLSVCIA-GXSJLCMTSA-N 0 3 270.354 2.419 20 5 CEBDHN CCC[C@@H](NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060721 174071447 /nfs/dbraw/zinc/07/14/47/174071447.db2.gz YBYAZTCATBCVLI-HUUCEWRRSA-N 0 3 294.351 2.441 20 5 CEBDHN CN1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040672719 174371246 /nfs/dbraw/zinc/37/12/46/174371246.db2.gz NJIILWZPYIOIIH-NSHDSACASA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277825 176107762 /nfs/dbraw/zinc/10/77/62/176107762.db2.gz VQIPJCUNTGVWRX-NOZJJQNGSA-N 0 3 250.298 2.016 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)Cc2ccccc2)cc1 ZINC000076519763 177032106 /nfs/dbraw/zinc/03/21/06/177032106.db2.gz CFZZAFUBSHLXED-MRXNPFEDSA-N 0 3 286.331 2.288 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000430205999 271363728 /nfs/dbraw/zinc/36/37/28/271363728.db2.gz VIHRWPMNNPQJDR-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN CNC(=O)[C@]1(C)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205558 277254995 /nfs/dbraw/zinc/25/49/95/277254995.db2.gz SDWWDMXCOSANPE-XHDPSFHLSA-N 0 3 291.351 2.114 20 5 CEBDHN COc1ccc(CN[C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396685735 280675516 /nfs/dbraw/zinc/67/55/16/280675516.db2.gz ZKZJJXOHDOZLCV-NSHDSACASA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](O)C1 ZINC000272365450 281020494 /nfs/dbraw/zinc/02/04/94/281020494.db2.gz SWSJFDZZTQXCME-ZYHUDNBSSA-N 0 3 250.298 2.031 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](O)C1 ZINC000272365438 281021975 /nfs/dbraw/zinc/02/19/75/281021975.db2.gz SWSJFDZZTQXCME-CMPLNLGQSA-N 0 3 250.298 2.031 20 5 CEBDHN CCC[C@@H](NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423530420 281063703 /nfs/dbraw/zinc/06/37/03/281063703.db2.gz WRLQNCDUZGHOJK-HUUCEWRRSA-N 0 3 293.367 2.014 20 5 CEBDHN CC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151826389 289068536 /nfs/dbraw/zinc/06/85/36/289068536.db2.gz NDOXSRCMAXNMSL-WDEREUQCSA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCn1ccnc1 ZINC000155690394 289180011 /nfs/dbraw/zinc/18/00/11/289180011.db2.gz ZRCNSDKQUGDCHS-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN CN(CCc1cncn1C)CCc1ccccc1[N+](=O)[O-] ZINC000459458170 290154715 /nfs/dbraw/zinc/15/47/15/290154715.db2.gz GORYZBCVYJGTRN-UHFFFAOYSA-N 0 3 288.351 2.045 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC1(CO)CCSCC1 ZINC000459728432 290219125 /nfs/dbraw/zinc/21/91/25/290219125.db2.gz NULCRQVRIBYQKC-UHFFFAOYSA-N 0 3 296.392 2.251 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000338707830 295254175 /nfs/dbraw/zinc/25/41/75/295254175.db2.gz UBEXSUQNALISFY-HNNXBMFYSA-N 0 3 293.367 2.380 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCCC3)CC2)cn1 ZINC000515246671 297568268 /nfs/dbraw/zinc/56/82/68/297568268.db2.gz QBDZEIRVWGDPSE-UHFFFAOYSA-N 0 3 290.367 2.302 20 5 CEBDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531300114 298102427 /nfs/dbraw/zinc/10/24/27/298102427.db2.gz AQMUABPQRKDMMX-RYUDHWBXSA-N 0 3 291.351 2.084 20 5 CEBDHN C[C@H]1C[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000548097260 298393611 /nfs/dbraw/zinc/39/36/11/298393611.db2.gz PGQBHSBFIOCLCV-QWRGUYRKSA-N 0 3 277.324 2.406 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOCC(F)F ZINC000566867530 313873291 /nfs/dbraw/zinc/87/32/91/313873291.db2.gz ZVGLVNRIJFNTMF-LLVKDONJSA-N 0 3 286.278 2.453 20 5 CEBDHN Cc1ccc(CNCCc2cccc([N+](=O)[O-])c2)nn1 ZINC000414369987 534059174 /nfs/dbraw/zinc/05/91/74/534059174.db2.gz VQTPLMCSAHBEED-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN Cc1c(CN[C@H]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815968 525730321 /nfs/dbraw/zinc/73/03/21/525730321.db2.gz ZDNVLSCVHSIXAF-OLZOCXBDSA-N 0 3 291.351 2.037 20 5 CEBDHN CC(C)(C)[C@@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000181483918 526615095 /nfs/dbraw/zinc/61/50/95/526615095.db2.gz FTSAYNJGTVGLKZ-CYBMUJFWSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCCC[C@H]2O)c1 ZINC000052926292 527386429 /nfs/dbraw/zinc/38/64/29/527386429.db2.gz ZYNIYWVUFOWANS-ZIAGYGMSSA-N 0 3 264.325 2.378 20 5 CEBDHN CN(C)C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000263927452 535957517 /nfs/dbraw/zinc/95/75/17/535957517.db2.gz WDUUBNARYVTSRN-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN CC[C@H](O)[C@H](CC)NCc1ccc([N+](=O)[O-])cc1F ZINC000313187069 536009194 /nfs/dbraw/zinc/00/91/94/536009194.db2.gz ZDDADNVCKWFSIZ-STQMWFEESA-N 0 3 270.304 2.373 20 5 CEBDHN COC(=O)C1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000295887799 536432478 /nfs/dbraw/zinc/43/24/78/536432478.db2.gz BGHGUMBJBDIKQE-SNVBAGLBSA-N 0 3 278.308 2.199 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CC2)ccc1Cl ZINC000734164852 574704447 /nfs/dbraw/zinc/70/44/47/574704447.db2.gz QDDBAEUNJJSETB-NSHDSACASA-N 0 3 270.716 2.109 20 5 CEBDHN C[C@H](Cc1cnccn1)NCc1cccc([N+](=O)[O-])c1 ZINC000748820806 575198307 /nfs/dbraw/zinc/19/83/07/575198307.db2.gz VVEBXDUHXZSNQW-LLVKDONJSA-N 0 3 272.308 2.106 20 5 CEBDHN CC(COC(=O)[C@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813099747 623017493 /nfs/dbraw/zinc/01/74/93/623017493.db2.gz BTJXKQFPELJMMW-MFKMUULPSA-N 0 3 263.293 2.315 20 5 CEBDHN CCc1cc(C(=O)OCC(C)[N+](=O)[O-])oc1CC ZINC000813101653 623017989 /nfs/dbraw/zinc/01/79/89/623017989.db2.gz GGPSLEABXBLQHF-MRVPVSSYSA-N 0 3 255.270 2.226 20 5 CEBDHN CC(COC(=O)[C@H](C)c1cccc(F)c1)[N+](=O)[O-] ZINC000813101690 623018420 /nfs/dbraw/zinc/01/84/20/623018420.db2.gz HBHSIFUEOAIRDB-DTWKUNHWSA-N 0 3 255.245 2.138 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCCC[C@@H]1C ZINC000891838698 624014023 /nfs/dbraw/zinc/01/40/23/624014023.db2.gz WUBWDDDIXRPMAL-NSHDSACASA-N 0 3 294.355 2.285 20 5 CEBDHN C[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000725779879 624776074 /nfs/dbraw/zinc/77/60/74/624776074.db2.gz TZNAXVPFFMSCBD-JTQLQIEISA-N 0 3 260.297 2.244 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000892572567 627282161 /nfs/dbraw/zinc/28/21/61/627282161.db2.gz ZNFFWLMDJKNISG-WPRPVWTQSA-N 0 3 266.297 2.055 20 5 CEBDHN COc1cc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000895739064 630320004 /nfs/dbraw/zinc/32/00/04/630320004.db2.gz ATSUXOREZZOFQR-WCBMZHEXSA-N 0 3 283.303 2.247 20 5 CEBDHN Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000925305348 631759824 /nfs/dbraw/zinc/75/98/24/631759824.db2.gz BWXJHDFOMRBWEA-PWSUYJOCSA-N 0 3 292.339 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC23CC(O)C3)cc1Cl ZINC000897849284 631944681 /nfs/dbraw/zinc/94/46/81/631944681.db2.gz VFALMNAWQRZSJV-BKDHPRRPSA-N 0 3 282.727 2.251 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@@H](O)C2CC2)c1 ZINC000898206596 632086542 /nfs/dbraw/zinc/08/65/42/632086542.db2.gz QULDUBLIHCNOBM-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@]12CCCc1ccccc12)[N+](=O)[O-] ZINC000813102755 632621459 /nfs/dbraw/zinc/62/14/59/632621459.db2.gz USGAPLVJVJFKNH-XFJVYGCCSA-N 0 3 289.331 2.489 20 5 CEBDHN CC(COC(=O)c1ccccc1OC(F)(F)F)[N+](=O)[O-] ZINC000813103406 632621917 /nfs/dbraw/zinc/62/19/17/632621917.db2.gz PWCJSYREHRRRCQ-ZETCQYMHSA-N 0 3 293.197 2.407 20 5 CEBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106088 632623402 /nfs/dbraw/zinc/62/34/02/632623402.db2.gz YDUUCUAISLDWHU-NSHDSACASA-N 0 3 251.282 2.136 20 5 CEBDHN CC(COC(=O)c1ccn(C2CCCCC2)n1)[N+](=O)[O-] ZINC000813105539 632623616 /nfs/dbraw/zinc/62/36/16/632623616.db2.gz OFHLLNGKGVKVEY-JTQLQIEISA-N 0 3 281.312 2.210 20 5 CEBDHN CCOc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106070 632623935 /nfs/dbraw/zinc/62/39/35/632623935.db2.gz XQZCLNLIVFEAJV-LLVKDONJSA-N 0 3 281.308 2.226 20 5 CEBDHN CC(COC(=O)Cc1ccc2c(c1)CCCC2)[N+](=O)[O-] ZINC000813107949 632624497 /nfs/dbraw/zinc/62/44/97/632624497.db2.gz ZOCFEHSSUFOVDY-NSHDSACASA-N 0 3 277.320 2.316 20 5 CEBDHN CC(COC(=O)c1ccc(C(F)F)cc1)[N+](=O)[O-] ZINC000813106747 632624985 /nfs/dbraw/zinc/62/49/85/632624985.db2.gz HIJKWDLPMRCZBG-SSDOTTSWSA-N 0 3 259.208 2.446 20 5 CEBDHN Cc1ccc(OCCC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813109254 632625438 /nfs/dbraw/zinc/62/54/38/632625438.db2.gz QGWDTJDZKIXTEO-GFCCVEGCSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)C1CCC(F)(F)CC1)[N+](=O)[O-] ZINC000813110132 632626157 /nfs/dbraw/zinc/62/61/57/632626157.db2.gz SUJRQBANCIABPQ-SSDOTTSWSA-N 0 3 251.229 2.020 20 5 CEBDHN CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccn1 ZINC000813109968 632626525 /nfs/dbraw/zinc/62/65/25/632626525.db2.gz QRCRXAHPVRUHPM-WDEREUQCSA-N 0 3 266.297 2.174 20 5 CEBDHN CC(COC(=O)c1cccc(Cl)c1F)[N+](=O)[O-] ZINC000813111618 632627595 /nfs/dbraw/zinc/62/75/95/632627595.db2.gz IXFYXKKYHRILHF-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN CCCOc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114569 632628381 /nfs/dbraw/zinc/62/83/81/632628381.db2.gz CWSUYXWGIDQZPJ-JTQLQIEISA-N 0 3 267.281 2.297 20 5 CEBDHN CC[C@@H](Oc1cccc(C)c1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112982 632628469 /nfs/dbraw/zinc/62/84/69/632628469.db2.gz NCAZWOOTWWEZJJ-DGCLKSJQSA-N 0 3 281.308 2.361 20 5 CEBDHN CC(COC(=O)COc1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000816090977 633115446 /nfs/dbraw/zinc/11/54/46/633115446.db2.gz GGWKPANBIRZMDP-SSDOTTSWSA-N 0 3 291.662 2.066 20 5 CEBDHN CC(COC(=O)c1cccc2c1CCCC2)[N+](=O)[O-] ZINC000835456180 638263198 /nfs/dbraw/zinc/26/31/98/638263198.db2.gz SKHTVWFLHKDGDY-SNVBAGLBSA-N 0 3 263.293 2.387 20 5 CEBDHN C/C=C\COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835456203 638264183 /nfs/dbraw/zinc/26/41/83/638264183.db2.gz SVQWZVLQTFCYMJ-VSQXVHSFSA-N 0 3 293.319 2.392 20 5 CEBDHN C[C@H](C[C@H](C)O)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228105835 639617782 /nfs/dbraw/zinc/61/77/82/639617782.db2.gz WDPCQEHZVDOJNS-BDAKNGLRSA-N 0 3 272.732 2.497 20 5 CEBDHN CCCN1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000917028916 640839630 /nfs/dbraw/zinc/83/96/30/640839630.db2.gz XNNGICKXRLJRQO-UHFFFAOYSA-N 0 3 277.368 2.431 20 5 CEBDHN CC([C@H](OC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873226 641117818 /nfs/dbraw/zinc/11/78/18/641117818.db2.gz SFGGYBLFOBLTCN-PELKAZGASA-N 0 3 267.256 2.485 20 5 CEBDHN CC(=O)CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881989 641117925 /nfs/dbraw/zinc/11/79/25/641117925.db2.gz NFAPNWCDLGWRLZ-IINYFYTJSA-N 0 3 297.282 2.444 20 5 CEBDHN CC([C@H](OC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873232 641117951 /nfs/dbraw/zinc/11/79/51/641117951.db2.gz SFGGYBLFOBLTCN-UFBFGSQYSA-N 0 3 267.256 2.485 20 5 CEBDHN CC(COC(=O)CCCc1ccc(F)cc1)[N+](=O)[O-] ZINC000847714405 641748454 /nfs/dbraw/zinc/74/84/54/641748454.db2.gz TVEDUMNJHYBNPF-JTQLQIEISA-N 0 3 269.272 2.357 20 5 CEBDHN COc1ccc2c(c1)[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCC2 ZINC000847714085 641748476 /nfs/dbraw/zinc/74/84/76/641748476.db2.gz KCOALXAPJIPFIH-MFKMUULPSA-N 0 3 293.319 2.324 20 5 CEBDHN CCOc1ccc([C@H](C)NCCN(C)OC)cc1[N+](=O)[O-] ZINC000850479431 642725662 /nfs/dbraw/zinc/72/56/62/642725662.db2.gz SSVFOEZIYJTMLN-NSHDSACASA-N 0 3 297.355 2.137 20 5 CEBDHN COc1ccc([C@@H]2C[C@H]2CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000851036971 642889686 /nfs/dbraw/zinc/88/96/86/642889686.db2.gz OVUPOBAQMCRURQ-JKOKRWQUSA-N 0 3 293.319 2.397 20 5 CEBDHN CC1(C)O[C@@H]2C[C@@H](NCc3csc([N+](=O)[O-])c3)C[C@@H]2O1 ZINC000922876112 643302952 /nfs/dbraw/zinc/30/29/52/643302952.db2.gz SIYHCBWTGPCYNT-RTCCRHLQSA-N 0 3 298.364 2.428 20 5 CEBDHN COC(=O)[C@H]1C[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877641123 650830402 /nfs/dbraw/zinc/83/04/02/650830402.db2.gz MPPQANGUVZLLAQ-HAQNSBGRSA-N 0 3 292.335 2.253 20 5 CEBDHN COC(=O)C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000754517404 644384853 /nfs/dbraw/zinc/38/48/53/644384853.db2.gz CWWMIXGNBRRMOM-GFCCVEGCSA-N 0 3 278.308 2.026 20 5 CEBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000776277600 647045166 /nfs/dbraw/zinc/04/51/66/647045166.db2.gz OMIZBKZJOXVZPO-JTNHKYCSSA-N 0 3 296.392 2.454 20 5 CEBDHN CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000776578477 647073016 /nfs/dbraw/zinc/07/30/16/647073016.db2.gz GFPVSUYLVMIKGK-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H]1SCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000776582781 647074708 /nfs/dbraw/zinc/07/47/08/647074708.db2.gz BYSOPZHPKWSKGH-COPLHBTASA-N 0 3 296.392 2.454 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000787418132 648106958 /nfs/dbraw/zinc/10/69/58/648106958.db2.gz LBSBSAICWQENFN-SINLSJITSA-N 0 3 288.347 2.312 20 5 CEBDHN CC(COC(=O)c1c(C(F)F)nc2ccccn21)[N+](=O)[O-] ZINC000870376755 648789931 /nfs/dbraw/zinc/78/99/31/648789931.db2.gz MFVPFMZCIUNNLF-ZETCQYMHSA-N 0 3 299.233 2.094 20 5 CEBDHN COc1cccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870378862 648790322 /nfs/dbraw/zinc/79/03/22/648790322.db2.gz YWUKYLVSBFZEGT-JTQLQIEISA-N 0 3 281.308 2.181 20 5 CEBDHN C[C@H](N[C@@H]1CCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035569 649249211 /nfs/dbraw/zinc/24/92/11/649249211.db2.gz XDQJXYUNQXNQAJ-VHSXEESVSA-N 0 3 267.304 2.089 20 5 CEBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780326 649487532 /nfs/dbraw/zinc/48/75/32/649487532.db2.gz XVBCKBPPDOVTAB-KBPBESRZSA-N 0 3 279.315 2.407 20 5 CEBDHN CCOCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873015351 649531619 /nfs/dbraw/zinc/53/16/19/649531619.db2.gz ZTUMFDBFAWYBNH-UHFFFAOYSA-N 0 3 252.314 2.338 20 5 CEBDHN CC[S@](=O)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873048557 649543475 /nfs/dbraw/zinc/54/34/75/649543475.db2.gz DNXHGUPEUIBRRV-IBGZPJMESA-N 0 3 284.381 2.070 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCOC1 ZINC000873094232 649557827 /nfs/dbraw/zinc/55/78/27/649557827.db2.gz DBEWMRJZLPFDHH-LLVKDONJSA-N 0 3 250.298 2.090 20 5 CEBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000879684759 651339003 /nfs/dbraw/zinc/33/90/03/651339003.db2.gz NZRCTWHGHHTDOI-LLVKDONJSA-N 0 3 290.323 2.058 20 5 CEBDHN Cc1c(CN[C@@H]2CCCC23OCCO3)cccc1[N+](=O)[O-] ZINC000883178521 652390806 /nfs/dbraw/zinc/39/08/06/652390806.db2.gz YMZAPFQPMNTGFQ-CQSZACIVSA-N 0 3 292.335 2.288 20 5 CEBDHN CCN1CC[C@H](Oc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001225613808 805026734 /nfs/dbraw/zinc/02/67/34/805026734.db2.gz UVWRWIVWYZEXTI-NSHDSACASA-N 0 3 266.297 2.076 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CN3CCC2CC3)c1 ZINC000094659362 808743159 /nfs/dbraw/zinc/74/31/59/808743159.db2.gz FHJCNEASLGSMST-ZDUSSCGKSA-N 0 3 261.325 2.409 20 5 CEBDHN NCc1ccnn1-c1ccc2ccc3cccnc3c2n1 ZINC001155124088 810988551 /nfs/dbraw/zinc/98/85/51/810988551.db2.gz SGKRHSNDZVHWLZ-UHFFFAOYSA-N 0 3 275.315 2.427 20 5 CEBDHN Cc1cccc2c1[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966483 811318132 /nfs/dbraw/zinc/31/81/32/811318132.db2.gz IMKBUXWQPNYMAN-WDMOLILDSA-N 0 3 289.335 2.023 20 5 CEBDHN Cc1nc2c(s1)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169033659 811346249 /nfs/dbraw/zinc/34/62/49/811346249.db2.gz CZLWFXSSDQGZNH-WDEREUQCSA-N 0 3 281.381 2.255 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037027 811346524 /nfs/dbraw/zinc/34/65/24/811346524.db2.gz HWAJQVUCTQSSOM-VHSXEESVSA-N 0 3 292.351 2.258 20 5 CEBDHN CCOc1cc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001169235748 811455595 /nfs/dbraw/zinc/45/55/95/811455595.db2.gz ZMCDDGBOWHNBJG-SECBINFHSA-N 0 3 276.296 2.199 20 5 CEBDHN CCC(CC)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123821679 815561840 /nfs/dbraw/zinc/56/18/40/815561840.db2.gz WAJBGQHNUDSMJO-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN CCc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813107777 813122938 /nfs/dbraw/zinc/12/29/38/813122938.db2.gz WCVIINYZLURIQT-NSHDSACASA-N 0 3 293.319 2.420 20 5 CEBDHN CCN1CC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000712605242 814756108 /nfs/dbraw/zinc/75/61/08/814756108.db2.gz LNEAQWZTLGCTKV-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)CC1 ZINC001173229370 815631528 /nfs/dbraw/zinc/63/15/28/815631528.db2.gz TVVHKPRHASZTBQ-ZDUSSCGKSA-N 0 3 289.379 2.306 20 5 CEBDHN Cc1nccc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173233020 815632915 /nfs/dbraw/zinc/63/29/15/815632915.db2.gz GQXAQFGIEZHTGC-LLVKDONJSA-N 0 3 286.335 2.414 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)(F)F ZINC000449092960 282097329 /nfs/dbraw/zinc/09/73/29/282097329.db2.gz NJLIAWUJKRRHGD-KCJUWKMLSA-N 0 3 292.257 2.039 20 5 CEBDHN C[C@@H](CCO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000096832934 185115403 /nfs/dbraw/zinc/11/54/03/185115403.db2.gz ZPVYZHOGKFFYJF-QMMMGPOBSA-N 0 3 258.705 2.109 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)CC(F)F ZINC000449284188 282171552 /nfs/dbraw/zinc/17/15/52/282171552.db2.gz OIFZFKHXJPOQRR-GXSJLCMTSA-N 0 3 288.294 2.132 20 5 CEBDHN CCOC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045686579 362165362 /nfs/dbraw/zinc/16/53/62/362165362.db2.gz MRVBCIQAMSPRQD-SNVBAGLBSA-N 0 3 266.297 2.199 20 5 CEBDHN CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449495257 282257652 /nfs/dbraw/zinc/25/76/52/282257652.db2.gz HQYCIUIRUUPMET-FZMZJTMJSA-N 0 3 264.325 2.452 20 5 CEBDHN C[C@@H]1CCCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046880057 343505998 /nfs/dbraw/zinc/50/59/98/343505998.db2.gz ZKJBXYSRWVELJQ-GFCCVEGCSA-N 0 3 291.351 2.057 20 5 CEBDHN C[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047142664 343511997 /nfs/dbraw/zinc/51/19/97/343511997.db2.gz IVUDCOIWTKFXMR-LBPRGKRZSA-N 0 3 291.351 2.199 20 5 CEBDHN Cc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1[N+](=O)[O-] ZINC000046408819 343499124 /nfs/dbraw/zinc/49/91/24/343499124.db2.gz GWXFLKQQUDIBNT-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000295049942 199319648 /nfs/dbraw/zinc/31/96/48/199319648.db2.gz NISXYGLPJXGGSK-MNOVXSKESA-N 0 3 274.267 2.089 20 5 CEBDHN COC[C@@](C)(O)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000069912160 343792313 /nfs/dbraw/zinc/79/23/13/343792313.db2.gz MXLMBTXIHBNITA-HNNXBMFYSA-N 0 3 296.367 2.205 20 5 CEBDHN C[C@H]1CCC[C@@H](N(C)Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602438854 347033102 /nfs/dbraw/zinc/03/31/02/347033102.db2.gz BNQLWCANKALZIV-CMPLNLGQSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)CO ZINC000151740631 344423028 /nfs/dbraw/zinc/42/30/28/344423028.db2.gz UHKFUFBMZZEDLH-GXSJLCMTSA-N 0 3 252.314 2.182 20 5 CEBDHN CCC[C@@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229955871 344569526 /nfs/dbraw/zinc/56/95/26/344569526.db2.gz WALGWZDXKQQNJT-LLVKDONJSA-N 0 3 275.312 2.035 20 5 CEBDHN CCN(C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000051634374 362432893 /nfs/dbraw/zinc/43/28/93/362432893.db2.gz LLGSSSBAKDTOOR-UHFFFAOYSA-N 0 3 271.748 2.290 20 5 CEBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000053152859 362483670 /nfs/dbraw/zinc/48/36/70/362483670.db2.gz POEPWFIWMATZIO-UHFFFAOYSA-N 0 3 295.339 2.134 20 5 CEBDHN CCN(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054110055 362512268 /nfs/dbraw/zinc/51/22/68/362512268.db2.gz QVVHHIMCKPEJIC-LLVKDONJSA-N 0 3 251.330 2.197 20 5 CEBDHN CN1CC[C@]2(CCN(c3ccsc3[N+](=O)[O-])C2)C1 ZINC000589879227 345104088 /nfs/dbraw/zinc/10/40/88/345104088.db2.gz OQRSEXHWWSVNQR-LBPRGKRZSA-N 0 3 267.354 2.188 20 5 CEBDHN COc1ccc(CNCCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593692789 345522172 /nfs/dbraw/zinc/52/21/72/345522172.db2.gz FDVKRLGVPCWREI-UHFFFAOYSA-N 0 3 294.351 2.246 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CCCn3ccnc32)cc1 ZINC000594495721 345638152 /nfs/dbraw/zinc/63/81/52/345638152.db2.gz URQFIQARTQUOMJ-CQSZACIVSA-N 0 3 286.335 2.459 20 5 CEBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510188 345641022 /nfs/dbraw/zinc/64/10/22/345641022.db2.gz ARTSBJBSLKTUIV-BXKDBHETSA-N 0 3 264.325 2.331 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](O)C1 ZINC000595105022 345742697 /nfs/dbraw/zinc/74/26/97/345742697.db2.gz VEEBTLSMVKZBQF-NHCYSSNCSA-N 0 3 250.298 2.077 20 5 CEBDHN Cc1ccc(CNC[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000594981875 345721442 /nfs/dbraw/zinc/72/14/42/345721442.db2.gz BLLZWDUAGGVJNA-AWEZNQCLSA-N 0 3 278.352 2.401 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000594987454 345722019 /nfs/dbraw/zinc/72/20/19/345722019.db2.gz KMQLWZHEADCTRM-UONOGXRCSA-N 0 3 276.336 2.296 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)CC2CC2)cs1 ZINC000594985025 345722052 /nfs/dbraw/zinc/72/20/52/345722052.db2.gz YOLQBSVWDLZDHC-SNVBAGLBSA-N 0 3 270.354 2.155 20 5 CEBDHN CC(C)c1ccc(CN[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000594999851 345724210 /nfs/dbraw/zinc/72/42/10/345724210.db2.gz WSJIUOSUKFCSBA-HAQNSBGRSA-N 0 3 264.325 2.331 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(O)CCC1 ZINC000595019562 345728016 /nfs/dbraw/zinc/72/80/16/345728016.db2.gz RGSRPWQHQOHSKA-JTQLQIEISA-N 0 3 280.324 2.169 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCN(CC2CC=CC2)CC1 ZINC000595523726 345803525 /nfs/dbraw/zinc/80/35/25/345803525.db2.gz LHQZRQCPHMNVAN-UHFFFAOYSA-N 0 3 288.351 2.078 20 5 CEBDHN C[C@@]12COC[C@]1(C)CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595688463 345848643 /nfs/dbraw/zinc/84/86/43/345848643.db2.gz HEQSQKPWWPHHQB-GASCZTMLSA-N 0 3 276.336 2.453 20 5 CEBDHN COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595828997 345888555 /nfs/dbraw/zinc/88/85/55/345888555.db2.gz GCMCGLRZODHZSE-OLZOCXBDSA-N 0 3 292.335 2.072 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000596079081 345934918 /nfs/dbraw/zinc/93/49/18/345934918.db2.gz YGJMZFAZPOFTIS-QWRGUYRKSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000596079081 345934921 /nfs/dbraw/zinc/93/49/21/345934921.db2.gz YGJMZFAZPOFTIS-QWRGUYRKSA-N 0 3 294.355 2.228 20 5 CEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN(CC3CC3)C2)s1 ZINC000596569673 346057650 /nfs/dbraw/zinc/05/76/50/346057650.db2.gz BLDFRVNOJRJOEL-LLVKDONJSA-N 0 3 296.396 2.007 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H](C)CCO ZINC000295122803 199356559 /nfs/dbraw/zinc/35/65/59/199356559.db2.gz NMWODHPCEGVNOM-LBPRGKRZSA-N 0 3 296.367 2.492 20 5 CEBDHN C[C@H](O)C1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000597235302 346157582 /nfs/dbraw/zinc/15/75/82/346157582.db2.gz XSAAGPLCAIHRHO-MALLOTDXSA-N 0 3 262.309 2.111 20 5 CEBDHN COc1ccc(CNCC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000181089498 232398552 /nfs/dbraw/zinc/39/85/52/232398552.db2.gz RKKZSRGQBPKWKR-UHFFFAOYSA-N 0 3 280.324 2.262 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H](CO)C2)cs1 ZINC000336788464 365808734 /nfs/dbraw/zinc/80/87/34/365808734.db2.gz PITSIMCXCOQXKJ-KOLCDFICSA-N 0 3 270.354 2.297 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000061041130 362673925 /nfs/dbraw/zinc/67/39/25/362673925.db2.gz FXYRFGPXYGXGGE-UHFFFAOYSA-N 0 3 275.352 2.265 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000598342423 346332131 /nfs/dbraw/zinc/33/21/31/346332131.db2.gz NAKUBMCABMLIHD-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H](O)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000599065504 346454530 /nfs/dbraw/zinc/45/45/30/346454530.db2.gz LULRIDBPZCBDTL-NILFDRSVSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)[C@@H]1CCCO1 ZINC000599067298 346454757 /nfs/dbraw/zinc/45/47/57/346454757.db2.gz YZRODXFVMQWABU-GLQYFDAESA-N 0 3 294.351 2.094 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@H](OC)C1 ZINC000599091864 346459049 /nfs/dbraw/zinc/45/90/49/346459049.db2.gz HDQDFJXAQTXCPJ-NHCYSSNCSA-N 0 3 280.324 2.431 20 5 CEBDHN COC(=O)CCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000599259097 346485367 /nfs/dbraw/zinc/48/53/67/346485367.db2.gz KUXBRDOBVSEEGF-UHFFFAOYSA-N 0 3 280.324 2.370 20 5 CEBDHN CN(C)CCn1cc(-c2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000600788742 346690822 /nfs/dbraw/zinc/69/08/22/346690822.db2.gz HCQSXYBDNLMEQE-UHFFFAOYSA-N 0 3 278.287 2.159 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCN(CC2CC2)C1 ZINC000601116393 346757675 /nfs/dbraw/zinc/75/76/75/346757675.db2.gz SLFACRXKKXVXSW-NSHDSACASA-N 0 3 280.303 2.025 20 5 CEBDHN CC[C@H]1CN(C)CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000601189571 346781436 /nfs/dbraw/zinc/78/14/36/346781436.db2.gz SHDWCGDDCQIDDT-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)N(C3CC3)C2)n1 ZINC000129370526 365850644 /nfs/dbraw/zinc/85/06/44/365850644.db2.gz RCCOJJGNZJPZJL-QWRGUYRKSA-N 0 3 276.340 2.335 20 5 CEBDHN CC[C@@H](C)CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149334 346769798 /nfs/dbraw/zinc/76/97/98/346769798.db2.gz LKIIVONGMIBVAG-RISCZKNCSA-N 0 3 266.341 2.438 20 5 CEBDHN C[C@H]1CCCN(CCNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601104571 346753610 /nfs/dbraw/zinc/75/36/10/346753610.db2.gz ATGRJBRUZAJHDO-JTQLQIEISA-N 0 3 282.319 2.273 20 5 CEBDHN CN(C)CCn1cc(Nc2ccsc2[N+](=O)[O-])cn1 ZINC000601107836 346754472 /nfs/dbraw/zinc/75/44/72/346754472.db2.gz ATTPDGBUQUJHNL-UHFFFAOYSA-N 0 3 281.341 2.158 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CC([C@@H]3CCOC3)C2)cc1 ZINC000602647377 347122020 /nfs/dbraw/zinc/12/20/20/347122020.db2.gz HVHDITAJELRPIU-CYBMUJFWSA-N 0 3 276.336 2.106 20 5 CEBDHN CCS[C@H]1CCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602819007 347212398 /nfs/dbraw/zinc/21/23/98/347212398.db2.gz PKLCDQXXUGPENZ-RYUDHWBXSA-N 0 3 298.412 2.482 20 5 CEBDHN C[C@@H]1C[C@H]1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733895 347177481 /nfs/dbraw/zinc/17/74/81/347177481.db2.gz XHBLFHBDZAPRDB-SUNKGSAMSA-N 0 3 264.325 2.048 20 5 CEBDHN Cc1ccc([C@H](C)NCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000085982716 179209926 /nfs/dbraw/zinc/20/99/26/179209926.db2.gz LVZOJIBSFUFKFV-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN CCOc1cc(NC[C@@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418602 347365172 /nfs/dbraw/zinc/36/51/72/347365172.db2.gz HIYYYCLTQIJNLB-LLVKDONJSA-N 0 3 297.380 2.110 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)s1 ZINC000604408747 347414522 /nfs/dbraw/zinc/41/45/22/347414522.db2.gz GOWBQKSBSXJZSX-UHFFFAOYSA-N 0 3 290.348 2.378 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000610389838 347677896 /nfs/dbraw/zinc/67/78/96/347677896.db2.gz BLVRWDXHUFBXAH-UHFFFAOYSA-N 0 3 250.298 2.063 20 5 CEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000611370852 347770635 /nfs/dbraw/zinc/77/06/35/347770635.db2.gz SEDKWCKSBLGGEL-BDAKNGLRSA-N 0 3 287.410 2.138 20 5 CEBDHN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130178585 365931432 /nfs/dbraw/zinc/93/14/32/365931432.db2.gz DGRBYMXSADGUET-UHFFFAOYSA-N 0 3 278.308 2.122 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000612582074 347904081 /nfs/dbraw/zinc/90/40/81/347904081.db2.gz RLLIGDJGUYYGQP-AEGPPILISA-N 0 3 276.336 2.106 20 5 CEBDHN COCCCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351872963 219233378 /nfs/dbraw/zinc/23/33/78/219233378.db2.gz FVFOBSPOCWEIOI-UHFFFAOYSA-N 0 3 282.340 2.462 20 5 CEBDHN COc1ccc(CNCC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000339481259 215198617 /nfs/dbraw/zinc/19/86/17/215198617.db2.gz CKRMKHMZUDUSQG-SECBINFHSA-N 0 3 256.277 2.441 20 5 CEBDHN CC[C@@]1(NCc2ccc([N+](=O)[O-])c(OC)c2)CCOC1 ZINC000616865323 348580916 /nfs/dbraw/zinc/58/09/16/348580916.db2.gz KJIDLRCWOSJYQI-CQSZACIVSA-N 0 3 280.324 2.262 20 5 CEBDHN COc1cc(C[NH2+]CC[C@H](C)F)c([N+](=O)[O-])cc1[O-] ZINC000339498015 215211162 /nfs/dbraw/zinc/21/11/62/215211162.db2.gz MPFBKAYJPDHHPK-QMMMGPOBSA-N 0 3 272.276 2.147 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cc3ccccc3[nH]2)c1 ZINC000618966634 349078847 /nfs/dbraw/zinc/07/88/47/349078847.db2.gz VTRIEJQCYYZRBS-UHFFFAOYSA-N 0 3 285.307 2.062 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000273997350 192395746 /nfs/dbraw/zinc/39/57/46/192395746.db2.gz KKFHEUVZQGCLLD-QWRGUYRKSA-N 0 3 280.324 2.272 20 5 CEBDHN CC[C@]1(NCc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000619531985 349194907 /nfs/dbraw/zinc/19/49/07/349194907.db2.gz YIFCPVLJXQCZDL-AWEZNQCLSA-N 0 3 280.324 2.262 20 5 CEBDHN Cc1c([C@H](C)N[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774022 180038874 /nfs/dbraw/zinc/03/88/74/180038874.db2.gz JJCMPJZQGFCINQ-WDEREUQCSA-N 0 3 250.298 2.343 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091673506 180224218 /nfs/dbraw/zinc/22/42/18/180224218.db2.gz OALLJNCCYINZJG-GHMZBOCLSA-N 0 3 295.314 2.009 20 5 CEBDHN Cc1nc(CNCCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000568901572 299165983 /nfs/dbraw/zinc/16/59/83/299165983.db2.gz BLFJNTMIYPLOMS-UHFFFAOYSA-N 0 3 274.324 2.267 20 5 CEBDHN C[C@@H](NCCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000091957394 180292003 /nfs/dbraw/zinc/29/20/03/180292003.db2.gz VFJPOZJGHMBNDY-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000271403391 191118127 /nfs/dbraw/zinc/11/81/27/191118127.db2.gz WEXOUWWWNQGAMO-QKOWSDGPSA-N 0 3 276.336 2.311 20 5 CEBDHN CN(CCOCC1CC1)CCc1ccc([N+](=O)[O-])cc1 ZINC000130974561 366009514 /nfs/dbraw/zinc/00/95/14/366009514.db2.gz KQPKNWMIKJEQCF-UHFFFAOYSA-N 0 3 278.352 2.496 20 5 CEBDHN CCC[C@@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000118847443 186785796 /nfs/dbraw/zinc/78/57/96/186785796.db2.gz IJEJGZVJVGUMRU-NSHDSACASA-N 0 3 258.343 2.297 20 5 CEBDHN C[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122318574 187026733 /nfs/dbraw/zinc/02/67/33/187026733.db2.gz VIRKPLISKMVXNQ-AAEUAGOBSA-N 0 3 275.352 2.310 20 5 CEBDHN CSC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292047009 198144189 /nfs/dbraw/zinc/14/41/89/198144189.db2.gz BCFOOASHMVMOCL-SNVBAGLBSA-N 0 3 284.381 2.143 20 5 CEBDHN CCOCC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292090010 198159277 /nfs/dbraw/zinc/15/92/77/198159277.db2.gz GSJXIXOSSGRLMW-GFCCVEGCSA-N 0 3 296.367 2.207 20 5 CEBDHN CNC(=O)CCCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154861964 188166458 /nfs/dbraw/zinc/16/64/58/188166458.db2.gz UWVXIEDBZCJGEW-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(NCCN2CCCC2)c1 ZINC000155812149 188228447 /nfs/dbraw/zinc/22/84/47/188228447.db2.gz QOJYFZGHRQVRGW-UHFFFAOYSA-N 0 3 265.313 2.111 20 5 CEBDHN Cc1ccccc1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157364290 188313005 /nfs/dbraw/zinc/31/30/05/188313005.db2.gz PAUGGFSCHZYJRV-UHFFFAOYSA-N 0 3 274.324 2.232 20 5 CEBDHN Cc1cc(N(C)CCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000292678814 198373306 /nfs/dbraw/zinc/37/33/06/198373306.db2.gz QWTBFMNIJRNGJG-UHFFFAOYSA-N 0 3 255.293 2.040 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)cn1 ZINC000074271793 363318863 /nfs/dbraw/zinc/31/88/63/363318863.db2.gz DPTZYSXYIFPFMO-UHFFFAOYSA-N 0 3 276.340 2.054 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451539157 283025558 /nfs/dbraw/zinc/02/55/58/283025558.db2.gz FCOOGIDWSVOCNF-TZMCWYRMSA-N 0 3 294.351 2.330 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@H]1OC ZINC000451633883 283059007 /nfs/dbraw/zinc/05/90/07/283059007.db2.gz PYGDMHYKKMVCBY-CHWSQXEVSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H](O)COC(C)C)cc1[N+](=O)[O-] ZINC000271778809 191320816 /nfs/dbraw/zinc/32/08/16/191320816.db2.gz KNLZXHGYWBKGGC-GXTWGEPZSA-N 0 3 296.367 2.340 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1 ZINC000173611992 188861521 /nfs/dbraw/zinc/86/15/21/188861521.db2.gz UULBMPFSYGQVHO-UHFFFAOYSA-N 0 3 291.351 2.492 20 5 CEBDHN CC[C@@H]1CC[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000451958710 283151980 /nfs/dbraw/zinc/15/19/80/283151980.db2.gz XAXLJGQBPHEKBY-QWHCGFSZSA-N 0 3 293.367 2.267 20 5 CEBDHN CO[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076344544 363538688 /nfs/dbraw/zinc/53/86/88/363538688.db2.gz DACZRJMBDFQLHD-AWEZNQCLSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](CCCO)C2)c1 ZINC000452137275 283200992 /nfs/dbraw/zinc/20/09/92/283200992.db2.gz ZVMGJQJJGLEJKR-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN(C3CC3)C2)c(F)c1 ZINC000577707396 366384337 /nfs/dbraw/zinc/38/43/37/366384337.db2.gz FGSLWYJJJWLPNZ-SECBINFHSA-N 0 3 280.303 2.025 20 5 CEBDHN CC(C)(CO)CCNCc1ccccc1[N+](=O)[O-] ZINC000294794292 199186490 /nfs/dbraw/zinc/18/64/90/199186490.db2.gz MGKGWGBEOIGUND-UHFFFAOYSA-N 0 3 252.314 2.093 20 5 CEBDHN CC[C@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469178 366443567 /nfs/dbraw/zinc/44/35/67/366443567.db2.gz RRGOZTQRBFMJRR-CMPLNLGQSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H](NC[C@@H]1CCNC(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000294906823 199242355 /nfs/dbraw/zinc/24/23/55/199242355.db2.gz FHKMBBQNQYPDJX-NEPJUHHUSA-N 0 3 291.351 2.162 20 5 CEBDHN C[C@@H](NC[C@@H](O)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000341579688 216020883 /nfs/dbraw/zinc/02/08/83/216020883.db2.gz ZQEAOBCWCPTQAW-IAQYHMDHSA-N 0 3 294.351 2.033 20 5 CEBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1nccn1C ZINC000341714529 216077232 /nfs/dbraw/zinc/07/72/32/216077232.db2.gz UGTJAZHYJKBQQO-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000179584071 189204549 /nfs/dbraw/zinc/20/45/49/189204549.db2.gz KPLCJVMIDMURIY-NXEZZACHSA-N 0 3 268.313 2.025 20 5 CEBDHN COC(=O)C(C)(C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000180038346 189234658 /nfs/dbraw/zinc/23/46/58/189234658.db2.gz LRYXRDQXJVAVCL-UHFFFAOYSA-N 0 3 280.324 2.192 20 5 CEBDHN CCCCN(CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182147047 189315376 /nfs/dbraw/zinc/31/53/76/189315376.db2.gz GOJCUNRPDFLAFY-HNNXBMFYSA-N 0 3 296.367 2.113 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1N(C)CCN(C)C1CC1 ZINC000184790065 189395709 /nfs/dbraw/zinc/39/57/09/189395709.db2.gz LUCDZDMEZDFYDY-UHFFFAOYSA-N 0 3 293.367 2.272 20 5 CEBDHN Cc1cc(NCCN2CC=C(C)CC2)ncc1[N+](=O)[O-] ZINC000302160999 201374400 /nfs/dbraw/zinc/37/44/00/201374400.db2.gz PNGGGEUEJNRKKH-UHFFFAOYSA-N 0 3 276.340 2.362 20 5 CEBDHN C[C@@H](CCCO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000088503553 363902578 /nfs/dbraw/zinc/90/25/78/363902578.db2.gz FMOIOYXFZWXNAC-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1noc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000089517824 363975016 /nfs/dbraw/zinc/97/50/16/363975016.db2.gz WWVGQEZSWMOWFO-JTQLQIEISA-N 0 3 290.323 2.488 20 5 CEBDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000089511874 363975057 /nfs/dbraw/zinc/97/50/57/363975057.db2.gz KFMFIXNKMAANQB-GFCCVEGCSA-N 0 3 293.367 2.331 20 5 CEBDHN CCN(C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094135351 364253823 /nfs/dbraw/zinc/25/38/23/364253823.db2.gz YHSQAJNWDXBTBA-UHFFFAOYSA-N 0 3 293.367 2.202 20 5 CEBDHN C[C@@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C ZINC000572082388 299344024 /nfs/dbraw/zinc/34/40/24/299344024.db2.gz NJHMTEXQCANHDN-GHMZBOCLSA-N 0 3 290.367 2.457 20 5 CEBDHN COC[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000112985455 364864099 /nfs/dbraw/zinc/86/40/99/364864099.db2.gz DHRSXDAMUVYXNW-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN C[C@@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000159236762 366892402 /nfs/dbraw/zinc/89/24/02/366892402.db2.gz YUWSSVRMKQEJMQ-BXUZGUMPSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCNc1ccc([N+](=O)[O-])cn1 ZINC000341100073 367172245 /nfs/dbraw/zinc/17/22/45/367172245.db2.gz KUEREHKJLOIJFP-VXGBXAGGSA-N 0 3 278.356 2.087 20 5 CEBDHN CO[C@@H]1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000341288201 367270154 /nfs/dbraw/zinc/27/01/54/367270154.db2.gz ZRMSIMZIHPAXKG-TZMCWYRMSA-N 0 3 264.325 2.500 20 5 CEBDHN CC[C@@H](NC[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000164131891 367277976 /nfs/dbraw/zinc/27/79/76/367277976.db2.gz IZTJODIPVAJKFI-QWHCGFSZSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163432586 367238909 /nfs/dbraw/zinc/23/89/09/367238909.db2.gz ZEIDCQJEQBOXRM-RMDKCXRXSA-N 0 3 284.381 2.403 20 5 CEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000343555746 367881047 /nfs/dbraw/zinc/88/10/47/367881047.db2.gz FOJCEYMWIXGORM-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343567405 367888537 /nfs/dbraw/zinc/88/85/37/367888537.db2.gz LKJWBXYAIRJXIP-CQSZACIVSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@@H](c1ccccc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176195890 368210207 /nfs/dbraw/zinc/21/02/07/368210207.db2.gz HLPJYICVQCHKRF-LBPRGKRZSA-N 0 3 274.324 2.484 20 5 CEBDHN Cc1ccccc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000181534339 368467437 /nfs/dbraw/zinc/46/74/37/368467437.db2.gz QIZQICVZQZRQPQ-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN CN(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CC1 ZINC000346174820 368577567 /nfs/dbraw/zinc/57/75/67/368577567.db2.gz LSITVYMFEAXYBF-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CC[C@H](N[C@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645044 203073052 /nfs/dbraw/zinc/07/30/52/203073052.db2.gz GIUVXZXZCKKYAE-ZFWWWQNUSA-N 0 3 291.351 2.256 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358267465 370983805 /nfs/dbraw/zinc/98/38/05/370983805.db2.gz QBFZJWLBMXKTGM-LERXQTSPSA-N 0 3 291.351 2.160 20 5 CEBDHN Cc1c(CN(C)CCCCO)cccc1[N+](=O)[O-] ZINC000276420914 193323843 /nfs/dbraw/zinc/32/38/43/193323843.db2.gz QTPILTRCTZSYTK-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374865 296148318 /nfs/dbraw/zinc/14/83/18/296148318.db2.gz WDVSLCXLQJTLCU-WDEREUQCSA-N 0 3 289.339 2.113 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(CCO)CC1CC1 ZINC000352484948 369752965 /nfs/dbraw/zinc/75/29/65/369752965.db2.gz VPUVILQFGXQYTB-LLVKDONJSA-N 0 3 264.325 2.360 20 5 CEBDHN COc1cc(CN2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352768204 369875066 /nfs/dbraw/zinc/87/50/66/369875066.db2.gz GJLONAAQRPMAMM-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CO)C1CC1 ZINC000353099950 370017594 /nfs/dbraw/zinc/01/75/94/370017594.db2.gz YMAWSQUWOQETOT-CYBMUJFWSA-N 0 3 294.351 2.102 20 5 CEBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353150137 370040986 /nfs/dbraw/zinc/04/09/86/370040986.db2.gz IPIIDBINYFEXQZ-UKRRQHHQSA-N 0 3 294.351 2.187 20 5 CEBDHN CC(C)[C@@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000353023145 369986541 /nfs/dbraw/zinc/98/65/41/369986541.db2.gz GXDVIDJUVPTOJS-OLZOCXBDSA-N 0 3 294.351 2.065 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000223238281 370262457 /nfs/dbraw/zinc/26/24/57/370262457.db2.gz QOWIUXFDYITPLV-UHFFFAOYSA-N 0 3 252.314 2.234 20 5 CEBDHN C[C@H](O)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000227952931 370389357 /nfs/dbraw/zinc/38/93/57/370389357.db2.gz NFIFQVFNEIGUSJ-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN Cc1c(CN[C@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591450 370407423 /nfs/dbraw/zinc/40/74/23/370407423.db2.gz FATYDUDPFQLRBJ-GXSJLCMTSA-N 0 3 252.314 2.010 20 5 CEBDHN CC(C)(CCO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000231399557 370478782 /nfs/dbraw/zinc/47/87/82/370478782.db2.gz RMJXPMKSWNJPKT-UHFFFAOYSA-N 0 3 252.314 2.093 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000247160121 371072429 /nfs/dbraw/zinc/07/24/29/371072429.db2.gz ALFOTILTWYIXPF-SMDDNHRTSA-N 0 3 291.351 2.007 20 5 CEBDHN C[C@H](C[S@@](C)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000249049922 371287412 /nfs/dbraw/zinc/28/74/12/371287412.db2.gz XGLVGDKKHRWUMV-UHMLPPNMSA-N 0 3 296.392 2.329 20 5 CEBDHN CO[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000251702679 371413554 /nfs/dbraw/zinc/41/35/54/371413554.db2.gz KAOQFAFUQVBSSQ-SWLSCSKDSA-N 0 3 294.351 2.330 20 5 CEBDHN C[C@H](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000252728501 371473946 /nfs/dbraw/zinc/47/39/46/371473946.db2.gz BQBKKATWVPFLLW-FDMGOTLNSA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC(C)(C)C1 ZINC000344038786 217022343 /nfs/dbraw/zinc/02/23/43/217022343.db2.gz GDVMFGLJWNYCTP-NSHDSACASA-N 0 3 266.345 2.159 20 5 CEBDHN Cc1nc(NCCN2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268512310 372123297 /nfs/dbraw/zinc/12/32/97/372123297.db2.gz SJSXGHPKQPOLOR-LLVKDONJSA-N 0 3 278.356 2.442 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903736 372280848 /nfs/dbraw/zinc/28/08/48/372280848.db2.gz GJRHDIYSIKYAPQ-FZMZJTMJSA-N 0 3 296.392 2.422 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000268903738 372280904 /nfs/dbraw/zinc/28/09/04/372280904.db2.gz GJRHDIYSIKYAPQ-RISCZKNCSA-N 0 3 296.392 2.422 20 5 CEBDHN CC[C@@H](N[C@H](C)CC(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000269099559 372340999 /nfs/dbraw/zinc/34/09/99/372340999.db2.gz TUHPNFTWPGFXLE-ZWNOBZJWSA-N 0 3 279.340 2.160 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269695554 372536604 /nfs/dbraw/zinc/53/66/04/372536604.db2.gz YODWRPORWRHSPT-PELKAZGASA-N 0 3 299.758 2.238 20 5 CEBDHN O=[N+]([O-])c1cccc(CCNCc2ccc(CO)o2)c1 ZINC000270242069 372713292 /nfs/dbraw/zinc/71/32/92/372713292.db2.gz CYGOLIUISICJOK-UHFFFAOYSA-N 0 3 276.292 2.012 20 5 CEBDHN C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000345049111 217397011 /nfs/dbraw/zinc/39/70/11/217397011.db2.gz GGLUDHXQHYOQSC-LOWVWBTDSA-N 0 3 262.309 2.182 20 5 CEBDHN CC(C)(O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1F ZINC000272626122 373590249 /nfs/dbraw/zinc/59/02/49/373590249.db2.gz VUKHSGGDGJCCPW-UHFFFAOYSA-N 0 3 270.304 2.373 20 5 CEBDHN Cc1ccc(CNCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000279665332 374948899 /nfs/dbraw/zinc/94/88/99/374948899.db2.gz GXLVRFAIPQKJTM-UHFFFAOYSA-N 0 3 275.352 2.255 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)CC2CCC2)c1 ZINC000279866711 375015346 /nfs/dbraw/zinc/01/53/46/375015346.db2.gz SXDULESLQIFSQN-ZDUSSCGKSA-N 0 3 264.325 2.236 20 5 CEBDHN CC(=O)N1CCC[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000279938403 375037152 /nfs/dbraw/zinc/03/71/52/375037152.db2.gz YPOHWPRTJNUNGT-NSHDSACASA-N 0 3 297.380 2.004 20 5 CEBDHN Cc1c(CN2CC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000385897440 375248208 /nfs/dbraw/zinc/24/82/08/375248208.db2.gz OCYJJVXNBFTJAM-WCQYABFASA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cc2F)CCN1C ZINC000408464799 375488721 /nfs/dbraw/zinc/48/87/21/375488721.db2.gz FTUBZRASCVIVHY-UWVGGRQHSA-N 0 3 282.319 2.048 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCC[C@H]1O ZINC000283280049 375686125 /nfs/dbraw/zinc/68/61/25/375686125.db2.gz XEQKTMBQJFOOSM-SMDDNHRTSA-N 0 3 282.315 2.327 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000414653291 375902401 /nfs/dbraw/zinc/90/24/01/375902401.db2.gz DZXLLHAEAUXSCU-MNOVXSKESA-N 0 3 292.339 2.117 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H]2CCO)cc1F ZINC000286383043 375934212 /nfs/dbraw/zinc/93/42/12/375934212.db2.gz ZEZMUPFGKRDPDA-YPMHNXCESA-N 0 3 282.315 2.375 20 5 CEBDHN CCOC1CC(N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286925493 376105850 /nfs/dbraw/zinc/10/58/50/376105850.db2.gz KVFVPHRRJSMAGZ-YMAMQOFZSA-N 0 3 294.351 2.128 20 5 CEBDHN Cc1ccc(CN(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290310170 376726879 /nfs/dbraw/zinc/72/68/79/376726879.db2.gz CCCLXTQUZUMRMU-UHFFFAOYSA-N 0 3 277.368 2.429 20 5 CEBDHN COc1cc(CNC2CCC2)c([N+](=O)[O-])cc1OC ZINC000264538200 190116562 /nfs/dbraw/zinc/11/65/62/190116562.db2.gz PMFOEYZHXNRIEC-UHFFFAOYSA-N 0 3 266.297 2.254 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](O)C12CCCC2 ZINC000292883347 377330749 /nfs/dbraw/zinc/33/07/49/377330749.db2.gz YECHLFYHJNFNAH-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN Cc1ccc(CN[C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000313057632 249377370 /nfs/dbraw/zinc/37/73/70/249377370.db2.gz KOFVKKTUKFTSIU-CYBMUJFWSA-N 0 3 264.325 2.418 20 5 CEBDHN CCC[C@@H](CNCc1ccccc1[N+](=O)[O-])OC ZINC000293795336 377762475 /nfs/dbraw/zinc/76/24/75/377762475.db2.gz XTTPBNGOFOWYLJ-LBPRGKRZSA-N 0 3 252.314 2.500 20 5 CEBDHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898841 377814919 /nfs/dbraw/zinc/81/49/19/377814919.db2.gz WIRMKSHULAULJT-QWRGUYRKSA-N 0 3 289.339 2.113 20 5 CEBDHN CC(C)(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000265970409 190219314 /nfs/dbraw/zinc/21/93/14/190219314.db2.gz BEXNETMWUYNLDV-UHFFFAOYSA-N 0 3 274.324 2.316 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCN2CCO)c1 ZINC000450607220 378498064 /nfs/dbraw/zinc/49/80/64/378498064.db2.gz BGSRRTVTBLXXMF-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1cc(NC[C@@H]2CCCCN2CCO)ccc1[N+](=O)[O-] ZINC000450612661 378499388 /nfs/dbraw/zinc/49/93/88/378499388.db2.gz KJZKCVYSASBAIK-AWEZNQCLSA-N 0 3 293.367 2.162 20 5 CEBDHN O=[N+]([O-])c1cccc(CCN[C@H]2CCn3ccnc32)c1 ZINC000296687844 378618563 /nfs/dbraw/zinc/61/85/63/378618563.db2.gz GZEISMFWIUUUDW-ZDUSSCGKSA-N 0 3 272.308 2.068 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000298733078 378817444 /nfs/dbraw/zinc/81/74/44/378817444.db2.gz UJJLWWCBCPQHOT-UHFFFAOYSA-N 0 3 274.324 2.003 20 5 CEBDHN CC(C)COC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266854242 190284749 /nfs/dbraw/zinc/28/47/49/190284749.db2.gz JKGXRZHQTGQQPD-CHWSQXEVSA-N 0 3 296.367 2.279 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)n1 ZINC000543791964 380346747 /nfs/dbraw/zinc/34/67/47/380346747.db2.gz PVDURMJTSQGZRL-ZDUSSCGKSA-N 0 3 290.367 2.281 20 5 CEBDHN Cc1c(CN2CCC[C@]2(C)CO)cccc1[N+](=O)[O-] ZINC000546810859 380421016 /nfs/dbraw/zinc/42/10/16/380421016.db2.gz ZSTYOIUZLYHXTM-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN C[C@H](NCC1(C(N)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268938317 190454153 /nfs/dbraw/zinc/45/41/53/190454153.db2.gz SJSXMVCWYAGICJ-NSHDSACASA-N 0 3 291.351 2.291 20 5 CEBDHN C[C@@H]1CCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223781 194340409 /nfs/dbraw/zinc/34/04/09/194340409.db2.gz IINWHBIAQHYKGF-RISCZKNCSA-N 0 3 291.351 2.336 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000266306759 285130074 /nfs/dbraw/zinc/13/00/74/285130074.db2.gz ZMCOCYJNRUOFLL-AWEZNQCLSA-N 0 3 259.309 2.045 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)C[C@@H](C)O ZINC000350454858 219023046 /nfs/dbraw/zinc/02/30/46/219023046.db2.gz GBJSIKDKBSGRNG-GHMZBOCLSA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1NCCN1CCCC1)CCN2 ZINC000278337314 285146801 /nfs/dbraw/zinc/14/68/01/285146801.db2.gz ITMCSSUDKGJCLI-UHFFFAOYSA-N 0 3 276.340 2.071 20 5 CEBDHN CCC1(CNCc2ccc(C)c([N+](=O)[O-])c2)COC1 ZINC000393964239 262381633 /nfs/dbraw/zinc/38/16/33/262381633.db2.gz ZKTVKUUYJJPOSD-UHFFFAOYSA-N 0 3 264.325 2.419 20 5 CEBDHN CCC[C@H](N[C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614432 195309077 /nfs/dbraw/zinc/30/90/77/195309077.db2.gz NGHWVJJCCLOTNA-ZFWWWQNUSA-N 0 3 296.367 2.423 20 5 CEBDHN CC[C@H](N[C@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815912 195393333 /nfs/dbraw/zinc/39/33/33/195393333.db2.gz ZIFFGOWAAOCRQM-JSGCOSHPSA-N 0 3 282.340 2.033 20 5 CEBDHN CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCN1C ZINC000421016084 394464786 /nfs/dbraw/zinc/46/47/86/394464786.db2.gz XTILBQMFSXNVGC-NSHDSACASA-N 0 3 269.370 2.182 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015164119 394466734 /nfs/dbraw/zinc/46/67/34/394466734.db2.gz ZKNRVLBAZASQTI-LLVKDONJSA-N 0 3 294.311 2.399 20 5 CEBDHN CCN1CCCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302823775 394477686 /nfs/dbraw/zinc/47/76/86/394477686.db2.gz VKMXEIKMJILXHH-UHFFFAOYSA-N 0 3 267.304 2.266 20 5 CEBDHN CCOC[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044724390 394507804 /nfs/dbraw/zinc/50/78/04/394507804.db2.gz MIDPZZIBTNZIGM-JTQLQIEISA-N 0 3 268.313 2.118 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C ZINC000421700067 394567563 /nfs/dbraw/zinc/56/75/63/394567563.db2.gz CYEJIFLMMLAVBY-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)C[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332651792 394639144 /nfs/dbraw/zinc/63/91/44/394639144.db2.gz CYELWDIYXMGUCY-LLVKDONJSA-N 0 3 266.345 2.339 20 5 CEBDHN COc1ccc(CN[C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000285819836 394968849 /nfs/dbraw/zinc/96/88/49/394968849.db2.gz GTAHDQBMYKAKMZ-KOLCDFICSA-N 0 3 282.365 2.445 20 5 CEBDHN CCN(C)CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000288501919 395061360 /nfs/dbraw/zinc/06/13/60/395061360.db2.gz QIZIWGCSTOWDCN-UHFFFAOYSA-N 0 3 265.313 2.161 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCCN2C2CC2)cn1 ZINC000433797368 395249475 /nfs/dbraw/zinc/24/94/75/395249475.db2.gz VYVIIRCXVRLSNY-ZDUSSCGKSA-N 0 3 276.340 2.419 20 5 CEBDHN CN1CCC[C@@]2(CCN(c3cc(N)ccc3[N+](=O)[O-])C2)C1 ZINC000292824261 395206565 /nfs/dbraw/zinc/20/65/65/395206565.db2.gz PFPDFVGBNDRYHZ-OAHLLOKOSA-N 0 3 290.367 2.099 20 5 CEBDHN COCC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1C ZINC000353063373 395286770 /nfs/dbraw/zinc/28/67/70/395286770.db2.gz SZEMKNCPZGZOEM-CYBMUJFWSA-N 0 3 282.340 2.044 20 5 CEBDHN COCC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1C ZINC000353063374 395286808 /nfs/dbraw/zinc/28/68/08/395286808.db2.gz SZEMKNCPZGZOEM-ZDUSSCGKSA-N 0 3 282.340 2.044 20 5 CEBDHN C[C@@H]1COCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000192128720 395373236 /nfs/dbraw/zinc/37/32/36/395373236.db2.gz HXWHBSGUUOPJIR-PWSUYJOCSA-N 0 3 250.298 2.109 20 5 CEBDHN C[C@H](O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192866985 395395747 /nfs/dbraw/zinc/39/57/47/395395747.db2.gz SZENQXQVTKEJJC-HZMBPMFUSA-N 0 3 264.325 2.333 20 5 CEBDHN CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000434960315 395340534 /nfs/dbraw/zinc/34/05/34/395340534.db2.gz RHAXRTZSCUXHDB-LLVKDONJSA-N 0 3 296.758 2.316 20 5 CEBDHN CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449508281 395551770 /nfs/dbraw/zinc/55/17/70/395551770.db2.gz UXSGCBITSIFMIB-FZMZJTMJSA-N 0 3 264.325 2.452 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCNc1c([N+](=O)[O-])ncn1C ZINC000341135923 400365438 /nfs/dbraw/zinc/36/54/38/400365438.db2.gz ZAIDVHVJMGRFTD-PHIMTYICSA-N 0 3 281.360 2.003 20 5 CEBDHN C[C@H](O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000228105455 153357396 /nfs/dbraw/zinc/35/73/96/153357396.db2.gz XXNLGYGBWJJMKD-IUCAKERBSA-N 0 3 272.732 2.497 20 5 CEBDHN CNC(=O)CCCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255759037 153748679 /nfs/dbraw/zinc/74/86/79/153748679.db2.gz ZWKXRGXOSIQNMC-YVMONPNESA-N 0 3 291.351 2.066 20 5 CEBDHN Cc1cc(NC[C@@H]2[C@H]3COC[C@H]32)c2cc([N+](=O)[O-])ccc2n1 ZINC000376184568 157193590 /nfs/dbraw/zinc/19/35/90/157193590.db2.gz MNQPBEPJNRDDEI-ZSOGYDGISA-N 0 3 299.330 2.178 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCC1 ZINC000539048757 298243492 /nfs/dbraw/zinc/24/34/92/298243492.db2.gz CVOZCIALDOXOKD-LBPRGKRZSA-N 0 3 263.341 2.260 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCS[C@@H]3CCCC[C@@H]32)n1 ZINC000177207292 165188143 /nfs/dbraw/zinc/18/81/43/165188143.db2.gz KTTUIQQLDPOLFH-NWDGAFQWSA-N 0 3 296.396 2.151 20 5 CEBDHN COc1ccc(CN[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000035735718 172388614 /nfs/dbraw/zinc/38/86/14/172388614.db2.gz YJXXPKQJTUYEIV-ZWNOBZJWSA-N 0 3 280.324 2.261 20 5 CEBDHN CN(CCc1cnn(C)c1)CCc1ccccc1[N+](=O)[O-] ZINC000285404155 196274394 /nfs/dbraw/zinc/27/43/94/196274394.db2.gz UFVNEHHYNQEZIF-UHFFFAOYSA-N 0 3 288.351 2.045 20 5 CEBDHN C[C@H](C1CC1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078723345 177375507 /nfs/dbraw/zinc/37/55/07/177375507.db2.gz RIZPTTMJFZEHSI-LLVKDONJSA-N 0 3 291.351 2.288 20 5 CEBDHN CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000186017321 270247922 /nfs/dbraw/zinc/24/79/22/270247922.db2.gz YAJQGJKORTTZJI-LBPRGKRZSA-N 0 3 299.758 2.205 20 5 CEBDHN CC(C)(O)C(C)(C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000393609729 270343239 /nfs/dbraw/zinc/34/32/39/270343239.db2.gz DXAMOKBJBXBSPY-UHFFFAOYSA-N 0 3 266.341 2.482 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@]1(C)CCO[C@@H]1C ZINC000430232995 271364396 /nfs/dbraw/zinc/36/43/96/271364396.db2.gz JBLMEGNQTDZPTG-QMTHXVAHSA-N 0 3 280.324 2.261 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C(C)(C)O ZINC000430225109 271365719 /nfs/dbraw/zinc/36/57/19/271365719.db2.gz WXUCKKNMBHYDLP-CQSZACIVSA-N 0 3 294.351 2.339 20 5 CEBDHN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467287 274331367 /nfs/dbraw/zinc/33/13/67/274331367.db2.gz ZHIJXTVRWOMMDA-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC(N(C)C)C1 ZINC000302632445 274723042 /nfs/dbraw/zinc/72/30/42/274723042.db2.gz CFZOQBBGXKZAFS-UHFFFAOYSA-N 0 3 269.732 2.307 20 5 CEBDHN COc1cccc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000185339415 278016383 /nfs/dbraw/zinc/01/63/83/278016383.db2.gz NCQPZUHQQFGOES-GFCCVEGCSA-N 0 3 291.351 2.278 20 5 CEBDHN C[C@H]1CCN(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353459424 278366199 /nfs/dbraw/zinc/36/61/99/278366199.db2.gz HHRXZDRWIJDIQP-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN C[C@H](CCn1cccn1)NCc1ccccc1[N+](=O)[O-] ZINC000159001849 279275370 /nfs/dbraw/zinc/27/53/70/279275370.db2.gz RDBDBPZXBQQPBF-GFCCVEGCSA-N 0 3 274.324 2.360 20 5 CEBDHN CC(C)NC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135106206 280037656 /nfs/dbraw/zinc/03/76/56/280037656.db2.gz ADKPCZLFDCMBMR-LLVKDONJSA-N 0 3 279.340 2.160 20 5 CEBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397752212 280683605 /nfs/dbraw/zinc/68/36/05/280683605.db2.gz DXYJJKIWGSMIST-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN CN(C)C1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000419008322 280767389 /nfs/dbraw/zinc/76/73/89/280767389.db2.gz LFPRYEDACWDTOY-UHFFFAOYSA-N 0 3 276.340 2.069 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000423479195 281053514 /nfs/dbraw/zinc/05/35/14/281053514.db2.gz LYUVGXKSESKTSK-GXFFZTMASA-N 0 3 299.321 2.113 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000086467288 288327735 /nfs/dbraw/zinc/32/77/35/288327735.db2.gz ZHIJXTVRWOMMDA-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN COCC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178382315 292723614 /nfs/dbraw/zinc/72/36/14/292723614.db2.gz JIQYPQQBHXEQIU-RISCZKNCSA-N 0 3 282.340 2.033 20 5 CEBDHN COc1cccc(N2CCN(C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487073701 290330478 /nfs/dbraw/zinc/33/04/78/290330478.db2.gz PXMWJAXLIQJTPG-CYBMUJFWSA-N 0 3 293.367 2.380 20 5 CEBDHN C[C@@H]1C[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283419 290387019 /nfs/dbraw/zinc/38/70/19/290387019.db2.gz KCKQXFRSHVPUJF-OLZOCXBDSA-N 0 3 275.352 2.373 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)/C=C\CN(C)C ZINC000491891090 290544782 /nfs/dbraw/zinc/54/47/82/290544782.db2.gz IKMFBOVMOGFUAK-WAYWQWQTSA-N 0 3 277.324 2.268 20 5 CEBDHN Cn1cccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000537304244 298208365 /nfs/dbraw/zinc/20/83/65/298208365.db2.gz NCYKHWKDCMRIRR-UHFFFAOYSA-N 0 3 275.308 2.102 20 5 CEBDHN COc1cc(CN(C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000538709048 298235300 /nfs/dbraw/zinc/23/53/00/298235300.db2.gz JDSNSMBRFYHONN-UHFFFAOYSA-N 0 3 280.324 2.214 20 5 CEBDHN C[C@H]1CCN(CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000539704077 298252146 /nfs/dbraw/zinc/25/21/46/298252146.db2.gz HWDOKHCCOPHORK-LBPRGKRZSA-N 0 3 263.341 2.026 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCN(C)C2)n1 ZINC000545692587 298338690 /nfs/dbraw/zinc/33/86/90/298338690.db2.gz PZCSZGMSTOUEET-SNVBAGLBSA-N 0 3 288.307 2.372 20 5 CEBDHN C[C@H](CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])[S@@](C)=O ZINC000563415589 313737497 /nfs/dbraw/zinc/73/74/97/313737497.db2.gz DJTCDSQDPDRVBX-LITPITGPSA-N 0 3 296.392 2.329 20 5 CEBDHN O=[N+]([O-])c1ccc(CCCCNCc2cnccn2)cc1 ZINC000574135943 314189047 /nfs/dbraw/zinc/18/90/47/314189047.db2.gz BJYLAQZDIFGTEA-UHFFFAOYSA-N 0 3 286.335 2.497 20 5 CEBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000576842355 314316466 /nfs/dbraw/zinc/31/64/66/314316466.db2.gz GNYMMAYLSHHUCO-ZWNOBZJWSA-N 0 3 294.330 2.192 20 5 CEBDHN CC(C)N(C)CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049400748 519610739 /nfs/dbraw/zinc/61/07/39/519610739.db2.gz LRSIXDRWJYOFTA-NSHDSACASA-N 0 3 279.340 2.112 20 5 CEBDHN CCOC1CC(O)(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278533511 521652608 /nfs/dbraw/zinc/65/26/08/521652608.db2.gz UJAQGFWDIXBKTN-QGLTVNCISA-N 0 3 294.351 2.175 20 5 CEBDHN Cc1nc([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412026896 534613963 /nfs/dbraw/zinc/61/39/63/534613963.db2.gz KHYPVHQLGOVGNN-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1n[nH]c([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000412026896 534613966 /nfs/dbraw/zinc/61/39/66/534613966.db2.gz KHYPVHQLGOVGNN-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nnc([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412026896 534613969 /nfs/dbraw/zinc/61/39/69/534613969.db2.gz KHYPVHQLGOVGNN-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000412029942 534613186 /nfs/dbraw/zinc/61/31/86/534613186.db2.gz OTHGVYQIOJMWIA-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1n[nH]c([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000412029942 534613191 /nfs/dbraw/zinc/61/31/91/534613191.db2.gz OTHGVYQIOJMWIA-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN Cc1nnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000412029942 534613196 /nfs/dbraw/zinc/61/31/96/534613196.db2.gz OTHGVYQIOJMWIA-LBPRGKRZSA-N 0 3 287.323 2.011 20 5 CEBDHN C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])N(C)C1CC1 ZINC000068913378 524760525 /nfs/dbraw/zinc/76/05/25/524760525.db2.gz FYPUAYGAGPIPGS-QMMMGPOBSA-N 0 3 295.368 2.199 20 5 CEBDHN Cc1c(CN[C@@H]2CCCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000184815947 525729062 /nfs/dbraw/zinc/72/90/62/525729062.db2.gz ZDNVLSCVHSIXAF-CHWSQXEVSA-N 0 3 291.351 2.037 20 5 CEBDHN Cn1cc(CCNCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000148979162 527193988 /nfs/dbraw/zinc/19/39/88/527193988.db2.gz QTPHWTJUUCWJGZ-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN Cn1ccnc1[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000363451652 527471374 /nfs/dbraw/zinc/47/13/74/527471374.db2.gz VTTGSFMSOQUXHE-ZDUSSCGKSA-N 0 3 286.335 2.318 20 5 CEBDHN CC[C@H](O)[C@H](CC)NCc1csc([N+](=O)[O-])c1 ZINC000313155839 536009853 /nfs/dbraw/zinc/00/98/53/536009853.db2.gz NSUBUTWXHWDRJT-UWVGGRQHSA-N 0 3 258.343 2.295 20 5 CEBDHN CN(CCN1CCCC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000089898869 536371806 /nfs/dbraw/zinc/37/18/06/536371806.db2.gz HZVDFWXADGZRMK-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN Cc1ccc(CN[C@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268995 567924160 /nfs/dbraw/zinc/92/41/60/567924160.db2.gz AZXKKJXZEHVNGI-KBPBESRZSA-N 0 3 276.336 2.418 20 5 CEBDHN COc1c(O)ccc(CNCCc2ccco2)c1[N+](=O)[O-] ZINC000892441172 625450994 /nfs/dbraw/zinc/45/09/94/625450994.db2.gz JKTFIQGKBQKCBE-UHFFFAOYSA-N 0 3 292.291 2.234 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1cccc(F)c1)[N+](=O)[O-] ZINC000813101689 623018379 /nfs/dbraw/zinc/01/83/79/623018379.db2.gz HBHSIFUEOAIRDB-BDAKNGLRSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1ccccc1)[N+](=O)[O-] ZINC000813103031 623019051 /nfs/dbraw/zinc/01/90/51/623019051.db2.gz YNAYRRZATPISSP-GHMZBOCLSA-N 0 3 251.282 2.074 20 5 CEBDHN CCOc1ccccc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103363 623020352 /nfs/dbraw/zinc/02/03/52/623020352.db2.gz PHQLTCWHMLEPLP-LLVKDONJSA-N 0 3 281.308 2.226 20 5 CEBDHN CC(COC(=O)CCn1ccc2ccccc21)[N+](=O)[O-] ZINC000813108466 623040971 /nfs/dbraw/zinc/04/09/71/623040971.db2.gz GHBAXYHEDZAJEK-NSHDSACASA-N 0 3 276.292 2.240 20 5 CEBDHN CC(COC(=O)[C@H](c1ccccc1)C1CC1)[N+](=O)[O-] ZINC000813115461 623082158 /nfs/dbraw/zinc/08/21/58/623082158.db2.gz SRTCNTGFTFWNRF-ZWNOBZJWSA-N 0 3 263.293 2.389 20 5 CEBDHN CC[C@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083430963 623327801 /nfs/dbraw/zinc/32/78/01/623327801.db2.gz CJNOELQXXMBHDK-SNVBAGLBSA-N 0 3 258.705 2.109 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(=O)[nH]1 ZINC000933398133 623712946 /nfs/dbraw/zinc/71/29/46/623712946.db2.gz KMOSTTPZWABOBI-UHFFFAOYSA-N 0 3 287.319 2.370 20 5 CEBDHN COc1c(O)ccc(CN(C)CC(C)C)c1[N+](=O)[O-] ZINC000891578624 623799307 /nfs/dbraw/zinc/79/93/07/623799307.db2.gz NAHHNUOHQNAZGO-UHFFFAOYSA-N 0 3 268.313 2.397 20 5 CEBDHN COc1c([O-])ccc(C[N@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000891578624 623799315 /nfs/dbraw/zinc/79/93/15/623799315.db2.gz NAHHNUOHQNAZGO-UHFFFAOYSA-N 0 3 268.313 2.397 20 5 CEBDHN COc1c([O-])ccc(C[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000891578624 623799325 /nfs/dbraw/zinc/79/93/25/623799325.db2.gz NAHHNUOHQNAZGO-UHFFFAOYSA-N 0 3 268.313 2.397 20 5 CEBDHN CO[C@@H]1CC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000934124016 624246180 /nfs/dbraw/zinc/24/61/80/624246180.db2.gz GSDDEWIFNKPZPE-CHWSQXEVSA-N 0 3 250.298 2.204 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1OC ZINC000050373619 624564316 /nfs/dbraw/zinc/56/43/16/624564316.db2.gz UQOZTHIXOFJGKO-GXTWGEPZSA-N 0 3 280.324 2.261 20 5 CEBDHN COCCCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892750179 627747546 /nfs/dbraw/zinc/74/75/46/627747546.db2.gz ROAMCXFTHBNPHQ-UHFFFAOYSA-N 0 3 298.339 2.215 20 5 CEBDHN Cc1ccncc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162751664 628518938 /nfs/dbraw/zinc/51/89/38/628518938.db2.gz ZEEPYCPEDLPUAW-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)[C@H]2C)c1C ZINC000928430074 629566808 /nfs/dbraw/zinc/56/68/08/629566808.db2.gz ZOYJOQLHQQSUFC-RYUDHWBXSA-N 0 3 291.351 2.034 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H]1C ZINC000895737664 630327317 /nfs/dbraw/zinc/32/73/17/630327317.db2.gz QVFFMEPHXOWBMT-VHSXEESVSA-N 0 3 265.313 2.108 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H]1C ZINC000895737662 630327732 /nfs/dbraw/zinc/32/77/32/630327732.db2.gz QVFFMEPHXOWBMT-NXEZZACHSA-N 0 3 265.313 2.108 20 5 CEBDHN C[C@H](CNc1ccncc1CO)c1ccccc1[N+](=O)[O-] ZINC000896794153 630671480 /nfs/dbraw/zinc/67/14/80/630671480.db2.gz RHTIKKNJBGJBGL-LLVKDONJSA-N 0 3 287.319 2.120 20 5 CEBDHN Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000925305347 631759625 /nfs/dbraw/zinc/75/96/25/631759625.db2.gz BWXJHDFOMRBWEA-JQWIXIFHSA-N 0 3 292.339 2.117 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000925306117 631761976 /nfs/dbraw/zinc/76/19/76/631761976.db2.gz GPZDOQKTECRVQX-JQWIXIFHSA-N 0 3 292.339 2.117 20 5 CEBDHN CC(COC(=O)C1C2CC3CC(C2)CC1C3)[N+](=O)[O-] ZINC000813100566 632620678 /nfs/dbraw/zinc/62/06/78/632620678.db2.gz UMKFBZWYXQCTLQ-DDNJXNFVSA-N 0 3 267.325 2.267 20 5 CEBDHN CC(COC(=O)c1cnc(-c2cccnc2)s1)[N+](=O)[O-] ZINC000813101836 632620741 /nfs/dbraw/zinc/62/07/41/632620741.db2.gz JUXPFWTVIAQPDG-MRVPVSSYSA-N 0 3 293.304 2.027 20 5 CEBDHN CCO[C@@H](C)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813101609 632621160 /nfs/dbraw/zinc/62/11/60/632621160.db2.gz FGZMHYMMAKZBAH-SFYZADRCSA-N 0 3 288.325 2.063 20 5 CEBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000813101892 632621485 /nfs/dbraw/zinc/62/14/85/632621485.db2.gz KXROKGXRRMNVDG-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)c1cccc([C@H]2CCOC2)c1)[N+](=O)[O-] ZINC000813104094 632622569 /nfs/dbraw/zinc/62/25/69/632622569.db2.gz JVADDGOKYUDPTH-MFKMUULPSA-N 0 3 279.292 2.013 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccc1 ZINC000813106018 632623606 /nfs/dbraw/zinc/62/36/06/632623606.db2.gz XNXWPXWLQGQPEM-JTQLQIEISA-N 0 3 289.291 2.003 20 5 CEBDHN CC(C)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813106126 632623876 /nfs/dbraw/zinc/62/38/76/632623876.db2.gz YWOMNSILOIMTGP-ZETCQYMHSA-N 0 3 258.299 2.089 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107457 632624974 /nfs/dbraw/zinc/62/49/74/632624974.db2.gz NRVCCKPFXINJKK-VHSXEESVSA-N 0 3 269.272 2.213 20 5 CEBDHN Cc1ccc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108262 632624979 /nfs/dbraw/zinc/62/49/79/632624979.db2.gz XBBFXXSYWMIKPB-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCCCC2=O)[N+](=O)[O-] ZINC000813108940 632625407 /nfs/dbraw/zinc/62/54/07/632625407.db2.gz MRBUGMQLZBNEIG-JTQLQIEISA-N 0 3 291.303 2.418 20 5 CEBDHN CC(COC(=O)c1ccc(OC(F)(F)F)cc1)[N+](=O)[O-] ZINC000813108492 632625733 /nfs/dbraw/zinc/62/57/33/632625733.db2.gz YZZLMGQZAQQCCG-SSDOTTSWSA-N 0 3 293.197 2.407 20 5 CEBDHN CC(COC(=O)c1cccc([C@H]2CCCOC2)c1)[N+](=O)[O-] ZINC000813109395 632626514 /nfs/dbraw/zinc/62/65/14/632626514.db2.gz RTOTZONCQJXCJG-RISCZKNCSA-N 0 3 293.319 2.403 20 5 CEBDHN CC(COC(=O)c1ccc(OCC2CC2)cc1)[N+](=O)[O-] ZINC000813110840 632626735 /nfs/dbraw/zinc/62/67/35/632626735.db2.gz KLNLAWMPLIUVSP-SNVBAGLBSA-N 0 3 279.292 2.297 20 5 CEBDHN CCC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112041 632627901 /nfs/dbraw/zinc/62/79/01/632627901.db2.gz MPZXPZZWMFUUAK-VIFPVBQESA-N 0 3 265.265 2.101 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)c1 ZINC000817131920 633590618 /nfs/dbraw/zinc/59/06/18/633590618.db2.gz VLQQEEAMVAQQGB-SNVBAGLBSA-N 0 3 297.330 2.273 20 5 CEBDHN O=[N+]([O-])CCNC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000905029529 635793482 /nfs/dbraw/zinc/79/34/82/635793482.db2.gz XNKLVUJQFWRZPC-AWEZNQCLSA-N 0 3 297.786 2.343 20 5 CEBDHN C[C@@H](NC1CCS(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000157920200 639549761 /nfs/dbraw/zinc/54/97/61/639549761.db2.gz JSIBNASJQDKVEQ-OZMOWAPCSA-N 0 3 282.365 2.157 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1(N(C)C)CC1 ZINC000842047371 639930230 /nfs/dbraw/zinc/93/02/30/639930230.db2.gz WPOJSYSJSARANZ-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCCO ZINC000877499677 650752660 /nfs/dbraw/zinc/75/26/60/650752660.db2.gz SPNAYNXQEJYHRF-UHFFFAOYSA-N 0 3 252.314 2.026 20 5 CEBDHN COCCOCCN(C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877535656 650773826 /nfs/dbraw/zinc/77/38/26/650773826.db2.gz CUSYOEFIJVERFH-UHFFFAOYSA-N 0 3 296.367 2.306 20 5 CEBDHN CCN1CCCN(c2cc(OC)c(C)cc2[N+](=O)[O-])CC1 ZINC000853301236 643733730 /nfs/dbraw/zinc/73/37/30/643733730.db2.gz VYOWMZCBSLIZQU-UHFFFAOYSA-N 0 3 293.367 2.444 20 5 CEBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000776277599 647044880 /nfs/dbraw/zinc/04/48/80/647044880.db2.gz OMIZBKZJOXVZPO-GYSYKLTISA-N 0 3 296.392 2.454 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(C)OCCO1 ZINC000786820836 648048359 /nfs/dbraw/zinc/04/83/59/648048359.db2.gz LMUFYSWLYGJMJE-WQLSENKSSA-N 0 3 292.335 2.351 20 5 CEBDHN CCCN(CC[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000791053678 648476121 /nfs/dbraw/zinc/47/61/21/648476121.db2.gz VUZMKRJIKBIEOT-NEPJUHHUSA-N 0 3 258.362 2.179 20 5 CEBDHN COc1cc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000870376454 648788575 /nfs/dbraw/zinc/78/85/75/648788575.db2.gz JUMLAZIQOXTCEB-VIFPVBQESA-N 0 3 267.281 2.134 20 5 CEBDHN CCc1ccc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377895 648789990 /nfs/dbraw/zinc/78/99/90/648789990.db2.gz SMZCISXNYRULMV-MRVPVSSYSA-N 0 3 255.245 2.210 20 5 CEBDHN CC[C@H](CCO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000123854938 649207546 /nfs/dbraw/zinc/20/75/46/649207546.db2.gz RGICJHYTXXIKAA-SNVBAGLBSA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@@H](NC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027244 649245242 /nfs/dbraw/zinc/24/52/42/649245242.db2.gz KOTFCNAHUBQNKW-NXEZZACHSA-N 0 3 268.288 2.421 20 5 CEBDHN CN1CCC[C@H]2[C@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781763 649489033 /nfs/dbraw/zinc/48/90/33/649489033.db2.gz YLPALYGCRVVTNM-NEPJUHHUSA-N 0 3 279.315 2.407 20 5 CEBDHN COCCOC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000873062611 649547523 /nfs/dbraw/zinc/54/75/23/649547523.db2.gz UZAFVCJLPRAMJG-LLVKDONJSA-N 0 3 282.340 2.044 20 5 CEBDHN Cc1ccc(Cl)cc1OCC(=O)OCC(C)[N+](=O)[O-] ZINC000873532555 649695877 /nfs/dbraw/zinc/69/58/77/649695877.db2.gz JURSHWFJYKHOJK-SECBINFHSA-N 0 3 287.699 2.236 20 5 CEBDHN Cc1cc2ccccc2nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532196 649695922 /nfs/dbraw/zinc/69/59/22/649695922.db2.gz CTWOULAPFVDZQJ-JTQLQIEISA-N 0 3 274.276 2.365 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@H](C)N)nn1 ZINC000881365175 651698775 /nfs/dbraw/zinc/69/87/75/651698775.db2.gz NWVCQGOFXOMWPX-VHSXEESVSA-N 0 3 275.312 2.124 20 5 CEBDHN CC[S@@](=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130918914 652355379 /nfs/dbraw/zinc/35/53/79/652355379.db2.gz KNEQCELWNOAAOB-MGNBDDOMSA-N 0 3 270.354 2.014 20 5 CEBDHN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)CO ZINC000133245265 652615553 /nfs/dbraw/zinc/61/55/53/652615553.db2.gz KUWBYYDMPJQMCG-UHFFFAOYSA-N 0 3 272.732 2.451 20 5 CEBDHN CN1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225912788 805374262 /nfs/dbraw/zinc/37/42/62/805374262.db2.gz OEWQHUCDFHOSGJ-SNVBAGLBSA-N 0 3 254.261 2.207 20 5 CEBDHN CO[C@@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244502 815078327 /nfs/dbraw/zinc/07/83/27/815078327.db2.gz HIABZLCBEIYVMS-MWLCHTKSSA-N 0 3 291.307 2.393 20 5 CEBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1C ZINC000702054263 809490253 /nfs/dbraw/zinc/49/02/53/809490253.db2.gz SOWBMFCAAWODON-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN Cc1c(CNC[C@](C)(O)C(F)F)cccc1[N+](=O)[O-] ZINC000705039198 809766898 /nfs/dbraw/zinc/76/68/98/809766898.db2.gz JHTYQPYYYBPRHV-LBPRGKRZSA-N 0 3 274.267 2.009 20 5 CEBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CN1 ZINC000706499393 809827531 /nfs/dbraw/zinc/82/75/31/809827531.db2.gz LJUBFBZDHQTDFV-IUCAKERBSA-N 0 3 297.742 2.071 20 5 CEBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999752 811328314 /nfs/dbraw/zinc/32/83/14/811328314.db2.gz VBKCLLPFJHFXLE-ONGXEEELSA-N 0 3 298.289 2.183 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCOc3ccccc3C2)C1 ZINC001169030364 811343204 /nfs/dbraw/zinc/34/32/04/811343204.db2.gz ZBWJDVHEYUOBOD-JSGCOSHPSA-N 0 3 276.336 2.326 20 5 CEBDHN C[C@@H](N)c1ccn(-c2nccc3c2cccc3[N+](=O)[O-])n1 ZINC001169228311 811440823 /nfs/dbraw/zinc/44/08/23/811440823.db2.gz OJVBWMXUBNCLIM-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN O=[N+]([O-])c1cccc2ccc(N3CCN4CC[C@H]4C3)nc21 ZINC001158423576 812694640 /nfs/dbraw/zinc/69/46/40/812694640.db2.gz LJHYUEJTWNHMPE-LBPRGKRZSA-N 0 3 284.319 2.037 20 5 CEBDHN O=[N+]([O-])c1ccc2ccnc(N3CCN4CC[C@@H]4C3)c2c1 ZINC001158435038 812705850 /nfs/dbraw/zinc/70/58/50/812705850.db2.gz VMTACPHHTSFXSR-CYBMUJFWSA-N 0 3 284.319 2.037 20 5 CEBDHN CCOc1cc(NC[C@@H]2CCN2CC)ccc1[N+](=O)[O-] ZINC000712551224 814765537 /nfs/dbraw/zinc/76/55/37/814765537.db2.gz XSARWPRBFKTGCL-LBPRGKRZSA-N 0 3 279.340 2.500 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCOC2 ZINC001173223971 815627535 /nfs/dbraw/zinc/62/75/35/815627535.db2.gz CMNKLUVODVATDP-LBPRGKRZSA-N 0 3 276.336 2.248 20 5 CEBDHN COc1ccc(Nc2cnc(C)n2C)cc1[N+](=O)[O-] ZINC001176363000 816400595 /nfs/dbraw/zinc/40/05/95/816400595.db2.gz JKYXKWVNSYDKJL-UHFFFAOYSA-N 0 3 262.269 2.389 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@@H](CO)C1)CCC2 ZINC000601291088 346813880 /nfs/dbraw/zinc/81/38/80/346813880.db2.gz GELCJWPWTFOHDP-IFUGULHKSA-N 0 3 276.336 2.333 20 5 CEBDHN CCC[C@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079929075 343994643 /nfs/dbraw/zinc/99/46/43/343994643.db2.gz DVGHNWNERQMDPC-JSGCOSHPSA-N 0 3 291.351 2.304 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000125178030 187173643 /nfs/dbraw/zinc/17/36/43/187173643.db2.gz FYQHLAVFRMHNOU-BXUZGUMPSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1ccc(CN[C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000037782520 361937790 /nfs/dbraw/zinc/93/77/90/361937790.db2.gz AKVPUEDDFGXHIV-GFCCVEGCSA-N 0 3 291.351 2.004 20 5 CEBDHN C[C@H](NC1CC1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449306222 282180708 /nfs/dbraw/zinc/18/07/08/282180708.db2.gz KFAOOPHXVJBXAD-JTQLQIEISA-N 0 3 291.351 2.087 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC1(CF)CCOCC1 ZINC000449486015 282255016 /nfs/dbraw/zinc/25/50/16/282255016.db2.gz PSQFBUFOCDBSJV-UHFFFAOYSA-N 0 3 282.315 2.451 20 5 CEBDHN Cc1cc(C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000047139883 343512010 /nfs/dbraw/zinc/51/20/10/343512010.db2.gz ZBRYRIJZQYHPSG-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000127826598 365764674 /nfs/dbraw/zinc/76/46/74/365764674.db2.gz OEXVIYQLZKDIFR-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1ccc([N+](=O)[O-])cn1 ZINC000060842413 343663179 /nfs/dbraw/zinc/66/31/79/343663179.db2.gz CDCDNVDNQHRYDN-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@@H](NCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000049075037 362331883 /nfs/dbraw/zinc/33/18/83/362331883.db2.gz KZUSTOROGPRAGV-LLVKDONJSA-N 0 3 260.297 2.142 20 5 CEBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000089580625 344124896 /nfs/dbraw/zinc/12/48/96/344124896.db2.gz RFXKZXWDTDSSAK-NSHDSACASA-N 0 3 290.323 2.058 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCCN2C)c1 ZINC000092623068 344197003 /nfs/dbraw/zinc/19/70/03/344197003.db2.gz XWHCRUNAIFZVTD-VIFPVBQESA-N 0 3 283.303 2.249 20 5 CEBDHN Cn1cc(CN2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602440653 347033439 /nfs/dbraw/zinc/03/34/39/347033439.db2.gz AARFHQAMWQQCAU-ZDUSSCGKSA-N 0 3 286.335 2.318 20 5 CEBDHN CCN[C@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468121 347044623 /nfs/dbraw/zinc/04/46/23/347044623.db2.gz UGNSTZIXBLFCJI-GHMZBOCLSA-N 0 3 279.340 2.078 20 5 CEBDHN CCN1CCC[C@@H](Nc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000133763270 344370309 /nfs/dbraw/zinc/37/03/09/344370309.db2.gz UUJKNIOFFAHIDG-LLVKDONJSA-N 0 3 279.340 2.500 20 5 CEBDHN COc1cccc(N[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000134914468 344378806 /nfs/dbraw/zinc/37/88/06/344378806.db2.gz ADRAPKIMJFSRNP-JTQLQIEISA-N 0 3 277.324 2.252 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCCC[C@@H]2CO)cc1 ZINC000157017374 344444923 /nfs/dbraw/zinc/44/49/23/344444923.db2.gz IQGFPABOIWRYGC-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CCO)C2)cc1 ZINC000051895812 362445782 /nfs/dbraw/zinc/44/57/82/362445782.db2.gz ABFUFRYOLFOLOQ-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN COCCN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051917845 362449909 /nfs/dbraw/zinc/44/99/09/362449909.db2.gz QIPAHJJHFMJPNJ-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCN(CC2CC2)CC1 ZINC000052164487 362468564 /nfs/dbraw/zinc/46/85/64/362468564.db2.gz OQAVYGARNWQPOI-UHFFFAOYSA-N 0 3 275.352 2.122 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000286077772 344679389 /nfs/dbraw/zinc/67/93/89/344679389.db2.gz MDHKIOYXEBKMOU-SNVBAGLBSA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602549576 347072449 /nfs/dbraw/zinc/07/24/49/347072449.db2.gz FDHUBRARBNNQKP-CQSZACIVSA-N 0 3 291.307 2.252 20 5 CEBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054355281 362531918 /nfs/dbraw/zinc/53/19/18/362531918.db2.gz QSTKKXBWKLJVEN-MRVPVSSYSA-N 0 3 298.730 2.074 20 5 CEBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000056494960 362561143 /nfs/dbraw/zinc/56/11/43/362561143.db2.gz GNDOXKZBGJLBGB-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN COCC1(NCc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000590600269 345149785 /nfs/dbraw/zinc/14/97/85/345149785.db2.gz IMTHSMMLDIUENZ-UHFFFAOYSA-N 0 3 294.351 2.188 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCOC1 ZINC000591660357 345272737 /nfs/dbraw/zinc/27/27/37/345272737.db2.gz IUGTYAASWXDPCR-GHMZBOCLSA-N 0 3 250.298 2.343 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CNCCC1(F)F ZINC000591673419 345273455 /nfs/dbraw/zinc/27/34/55/345273455.db2.gz VEGYKMKKWPHMEL-SNVBAGLBSA-N 0 3 299.277 2.087 20 5 CEBDHN CC[C@H](C)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000592374821 345347468 /nfs/dbraw/zinc/34/74/68/345347468.db2.gz LLTWUEHIXUAGPG-AAEUAGOBSA-N 0 3 266.341 2.482 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@]1(O)CCOC1 ZINC000593721151 345527012 /nfs/dbraw/zinc/52/70/12/345527012.db2.gz ODEWYJWEPCWSFY-SWLSCSKDSA-N 0 3 294.351 2.095 20 5 CEBDHN C[C@@H](N[C@@H](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595069915 345739329 /nfs/dbraw/zinc/73/93/29/345739329.db2.gz TVDXAZLKZLOOTJ-MNOVXSKESA-N 0 3 264.325 2.406 20 5 CEBDHN CC[C@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)CO1 ZINC000594917038 345700699 /nfs/dbraw/zinc/70/06/99/345700699.db2.gz FYIKOZGVMALAHV-RYUDHWBXSA-N 0 3 280.324 2.261 20 5 CEBDHN CC[C@@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594921477 345702430 /nfs/dbraw/zinc/70/24/30/345702430.db2.gz BWPWKYDJINYIOA-DGCLKSJQSA-N 0 3 280.324 2.131 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C1(CO)CC1 ZINC000594970352 345719538 /nfs/dbraw/zinc/71/95/38/345719538.db2.gz YZCKDWOALWIWCL-VIFPVBQESA-N 0 3 284.743 2.499 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[C@H](C)O ZINC000595007037 345725114 /nfs/dbraw/zinc/72/51/14/345725114.db2.gz FATWQGJEWBKKEG-VHSXEESVSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)N(C)C ZINC000595012075 345726541 /nfs/dbraw/zinc/72/65/41/345726541.db2.gz NDBFUOSPMSIVEJ-MNOVXSKESA-N 0 3 281.356 2.204 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595521644 345802794 /nfs/dbraw/zinc/80/27/94/345802794.db2.gz JSSBUIWGJOXPLQ-LBPRGKRZSA-N 0 3 268.288 2.391 20 5 CEBDHN COc1cc(NCCN(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596055058 345929132 /nfs/dbraw/zinc/92/91/32/345929132.db2.gz CXMCYAYXRQTMIF-UHFFFAOYSA-N 0 3 273.720 2.230 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCOCCF ZINC000596057210 345929914 /nfs/dbraw/zinc/92/99/14/345929914.db2.gz KLGCVDLQNGHNBU-HYXAFXHYSA-N 0 3 268.288 2.184 20 5 CEBDHN CN(C)C1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596180490 345961953 /nfs/dbraw/zinc/96/19/53/345961953.db2.gz UBRHPDHTQUDQFA-UHFFFAOYSA-N 0 3 289.257 2.364 20 5 CEBDHN CC(C)C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070696 345932691 /nfs/dbraw/zinc/93/26/91/345932691.db2.gz ITIVZKLBJSIHIU-JTQLQIEISA-N 0 3 282.344 2.084 20 5 CEBDHN C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596217871 345972257 /nfs/dbraw/zinc/97/22/57/345972257.db2.gz YOPWROCVGSXGCZ-LLVKDONJSA-N 0 3 294.355 2.228 20 5 CEBDHN C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596217871 345972259 /nfs/dbraw/zinc/97/22/59/345972259.db2.gz YOPWROCVGSXGCZ-LLVKDONJSA-N 0 3 294.355 2.228 20 5 CEBDHN O=c1[n-]ccc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596218149 345972675 /nfs/dbraw/zinc/97/26/75/345972675.db2.gz VNEKWHWMGJKPCJ-UHFFFAOYSA-N 0 3 292.339 2.124 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C(C)(C)C ZINC000596305908 345995380 /nfs/dbraw/zinc/99/53/80/345995380.db2.gz CRNQFCVFUINZLF-NSHDSACASA-N 0 3 278.356 2.005 20 5 CEBDHN Cc1cn(C[C@H]2CCCCN2C(C)C)nc1[N+](=O)[O-] ZINC000596279686 345990230 /nfs/dbraw/zinc/99/02/30/345990230.db2.gz TUQBELIEMQQHNU-GFCCVEGCSA-N 0 3 266.345 2.363 20 5 CEBDHN Cc1nc(NC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305830 345995460 /nfs/dbraw/zinc/99/54/60/345995460.db2.gz BAEKBKAWXSIOGN-LLVKDONJSA-N 0 3 278.356 2.005 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2COC[C@@H]2C1 ZINC000597231104 346156203 /nfs/dbraw/zinc/15/62/03/346156203.db2.gz NNYLBEHMMNYRHU-KGLIPLIRSA-N 0 3 276.336 2.372 20 5 CEBDHN C[C@H](O)C1(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000597235303 346157192 /nfs/dbraw/zinc/15/71/92/346157192.db2.gz XSAAGPLCAIHRHO-QZPNVGJNSA-N 0 3 262.309 2.111 20 5 CEBDHN O=[N+]([O-])c1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000122166647 136537834 /nfs/dbraw/zinc/53/78/34/136537834.db2.gz OGSJMBVWPKMYHY-UHFFFAOYSA-N 0 3 261.325 2.127 20 5 CEBDHN C[C@H](NCCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599349445 346504233 /nfs/dbraw/zinc/50/42/33/346504233.db2.gz OHLCYRQEBXBALA-LBPRGKRZSA-N 0 3 294.351 2.441 20 5 CEBDHN CCC[C@@H](NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712226 346675743 /nfs/dbraw/zinc/67/57/43/346675743.db2.gz UZUSYJKSYFQIAL-DZGCQCFKSA-N 0 3 293.367 2.014 20 5 CEBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128442084 187371238 /nfs/dbraw/zinc/37/12/38/187371238.db2.gz FRCICQXVBHXTTQ-RYUDHWBXSA-N 0 3 284.743 2.497 20 5 CEBDHN CCC[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000601139584 346766148 /nfs/dbraw/zinc/76/61/48/346766148.db2.gz GHYJJHDSENFOPI-LBPRGKRZSA-N 0 3 252.314 2.236 20 5 CEBDHN CCC[C@@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000601139977 346766957 /nfs/dbraw/zinc/76/69/57/346766957.db2.gz OMXAUBNQAHECFB-JTQLQIEISA-N 0 3 258.343 2.297 20 5 CEBDHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602931201 347250637 /nfs/dbraw/zinc/25/06/37/347250637.db2.gz MWCZMZVVWAQMJC-OLZOCXBDSA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@@]1(O)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000602982385 347265914 /nfs/dbraw/zinc/26/59/14/347265914.db2.gz RUZHSCRFVQREMW-OAHLLOKOSA-N 0 3 294.351 2.211 20 5 CEBDHN COC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065532335 362831742 /nfs/dbraw/zinc/83/17/42/362831742.db2.gz DGANIZQAKOMHLL-UHFFFAOYSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1nccn1CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000336839194 365910222 /nfs/dbraw/zinc/91/02/22/365910222.db2.gz ODZLQJBKRKLBLP-LLVKDONJSA-N 0 3 274.324 2.451 20 5 CEBDHN C[C@@H](NCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420506 347680069 /nfs/dbraw/zinc/68/00/69/347680069.db2.gz CWRXTCOJSQNTEL-CHWSQXEVSA-N 0 3 294.351 2.299 20 5 CEBDHN C[C@H](NCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610420508 347680184 /nfs/dbraw/zinc/68/01/84/347680184.db2.gz CWRXTCOJSQNTEL-QWHCGFSZSA-N 0 3 294.351 2.299 20 5 CEBDHN CN(C)CCOC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610479259 347683444 /nfs/dbraw/zinc/68/34/44/347683444.db2.gz CQTZYYMOJTUEFT-UHFFFAOYSA-N 0 3 299.396 2.203 20 5 CEBDHN O=C(CCN1C[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585530 347694428 /nfs/dbraw/zinc/69/44/28/347694428.db2.gz RXSYHIDMXCIJKF-WCQYABFASA-N 0 3 289.335 2.408 20 5 CEBDHN O=[N+]([O-])c1sccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000611165755 347746228 /nfs/dbraw/zinc/74/62/28/347746228.db2.gz JCAINRVEKLHEEN-NSHDSACASA-N 0 3 297.380 2.322 20 5 CEBDHN COc1cc(CNCC[C@H](C)F)c([N+](=O)[O-])cc1OC ZINC000339482221 215201063 /nfs/dbraw/zinc/20/10/63/215201063.db2.gz GTHXQSYAKTWHPJ-VIFPVBQESA-N 0 3 286.303 2.450 20 5 CEBDHN CCN1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000104954574 186034840 /nfs/dbraw/zinc/03/48/40/186034840.db2.gz CEENWNXUAFCBBT-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1O ZINC000271350003 191088964 /nfs/dbraw/zinc/08/89/64/191088964.db2.gz POHBGCNALSNCDW-GXTWGEPZSA-N 0 3 264.325 2.106 20 5 CEBDHN COC1CC(N(C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000352219485 219368310 /nfs/dbraw/zinc/36/83/10/219368310.db2.gz DKQPLUVNKBBTGF-UHFFFAOYSA-N 0 3 280.324 2.083 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131272115 366037524 /nfs/dbraw/zinc/03/75/24/366037524.db2.gz PUPBTOCLIYOEGY-JQWIXIFHSA-N 0 3 250.298 2.343 20 5 CEBDHN Cc1ccnc(NC[C@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000070495915 363091753 /nfs/dbraw/zinc/09/17/53/363091753.db2.gz OYFPWWPPVPMQBH-LLVKDONJSA-N 0 3 276.340 2.194 20 5 CEBDHN C[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000122318099 187026544 /nfs/dbraw/zinc/02/65/44/187026544.db2.gz MACBIAHMIHGWBW-WCQYABFASA-N 0 3 275.352 2.310 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)CN(C)C ZINC000291875695 198092405 /nfs/dbraw/zinc/09/24/05/198092405.db2.gz OADGOLWYWCMNAT-JTQLQIEISA-N 0 3 279.340 2.407 20 5 CEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000122915405 187059336 /nfs/dbraw/zinc/05/93/36/187059336.db2.gz GQFUMXAAPMSMEH-FZMZJTMJSA-N 0 3 291.351 2.150 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H]1CCOC1 ZINC000337215809 366082585 /nfs/dbraw/zinc/08/25/85/366082585.db2.gz HBTUPMJWXIXHLS-JQWIXIFHSA-N 0 3 280.324 2.118 20 5 CEBDHN CC(C)(NCCn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000292067692 198150722 /nfs/dbraw/zinc/15/07/22/198150722.db2.gz DEUJGFDJHDEMEQ-UHFFFAOYSA-N 0 3 292.314 2.455 20 5 CEBDHN CCN1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000240 363190930 /nfs/dbraw/zinc/19/09/30/363190930.db2.gz GIFOCUHNELKCGQ-NSHDSACASA-N 0 3 264.329 2.194 20 5 CEBDHN Cc1c([C@H](C)N[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423687 188018023 /nfs/dbraw/zinc/01/80/23/188018023.db2.gz CQFPOUWEWFEZNJ-NWDGAFQWSA-N 0 3 291.351 2.175 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1NCCN1CCCC1 ZINC000271665354 191267517 /nfs/dbraw/zinc/26/75/17/191267517.db2.gz VZKSIFVDHFLNAZ-UHFFFAOYSA-N 0 3 279.340 2.249 20 5 CEBDHN COc1cc(NCCN2CCCC2)c([N+](=O)[O-])cc1F ZINC000271670405 191269429 /nfs/dbraw/zinc/26/94/29/191269429.db2.gz WYAAUODBQUNZMO-UHFFFAOYSA-N 0 3 283.303 2.250 20 5 CEBDHN C[C@@H](NCC[C@@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708143 191285863 /nfs/dbraw/zinc/28/58/63/191285863.db2.gz IOPVUSDFWFJBIJ-GHMZBOCLSA-N 0 3 278.308 2.199 20 5 CEBDHN C[C@H](NCC[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708146 191285177 /nfs/dbraw/zinc/28/51/77/191285177.db2.gz IOPVUSDFWFJBIJ-QWRGUYRKSA-N 0 3 278.308 2.199 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000132043460 366112625 /nfs/dbraw/zinc/11/26/25/366112625.db2.gz BOWIUSPMQLMXOY-DIECRNLCSA-N 0 3 262.309 2.329 20 5 CEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncccc1[N+](=O)[O-] ZINC000286230877 291063155 /nfs/dbraw/zinc/06/31/55/291063155.db2.gz DQWYDONKXQDSFZ-NWDGAFQWSA-N 0 3 276.340 2.053 20 5 CEBDHN Cc1nn(CCN2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000575430785 366285517 /nfs/dbraw/zinc/28/55/17/366285517.db2.gz KBTIOUBMNWEART-PHIMTYICSA-N 0 3 266.345 2.078 20 5 CEBDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000134644428 366348970 /nfs/dbraw/zinc/34/89/70/366348970.db2.gz YQKGEWCTNXFIKS-NTZNESFSSA-N 0 3 262.309 2.182 20 5 CEBDHN C[C@@H](CO)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000134980200 366381263 /nfs/dbraw/zinc/38/12/63/366381263.db2.gz VFGUXTDJEXRYPI-DTWKUNHWSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@@H](CCCO)CNCc1csc([N+](=O)[O-])c1 ZINC000294748065 199165056 /nfs/dbraw/zinc/16/50/56/199165056.db2.gz HUVIJTQGMCQIKI-VIFPVBQESA-N 0 3 258.343 2.155 20 5 CEBDHN C[C@H](N[C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000135306432 366423999 /nfs/dbraw/zinc/42/39/99/366423999.db2.gz IZMKUGBVANWGCM-KWBADKCTSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@H](NCC1(O)CCC1)c1ccccc1[N+](=O)[O-] ZINC000135461574 366442280 /nfs/dbraw/zinc/44/22/80/366442280.db2.gz PZHDJRCPZVSOHL-JTQLQIEISA-N 0 3 250.298 2.160 20 5 CEBDHN C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177056895 189024504 /nfs/dbraw/zinc/02/45/04/189024504.db2.gz ZYDCZLCXFSVWRV-WCBMZHEXSA-N 0 3 295.364 2.011 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN(CCCCO)C2CC2)cc1 ZINC000152554110 366703149 /nfs/dbraw/zinc/70/31/49/366703149.db2.gz RHQSSDCKQCXVQR-UHFFFAOYSA-N 0 3 294.351 2.211 20 5 CEBDHN COCC[C@@H](COC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000353129845 219908229 /nfs/dbraw/zinc/90/82/29/219908229.db2.gz TZRLPKVDXBJGQE-DYLGSBMWSA-N 0 3 294.351 2.249 20 5 CEBDHN COCCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000092537092 364078678 /nfs/dbraw/zinc/07/86/78/364078678.db2.gz VKNVASYZLMDIRM-UHFFFAOYSA-N 0 3 252.314 2.372 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCSCC2)cc1 ZINC000089980374 364027024 /nfs/dbraw/zinc/02/70/24/364027024.db2.gz DIWVBOJCYZAXGV-UHFFFAOYSA-N 0 3 282.365 2.413 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCCSCC2)c1 ZINC000089985238 364027777 /nfs/dbraw/zinc/02/77/77/364027777.db2.gz ZYIKVDUSYDPESO-UHFFFAOYSA-N 0 3 282.365 2.413 20 5 CEBDHN COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000094997046 364321225 /nfs/dbraw/zinc/32/12/25/364321225.db2.gz SSSRYMBKHZZSLX-ZWNOBZJWSA-N 0 3 292.335 2.144 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1F ZINC000094774973 364295952 /nfs/dbraw/zinc/29/59/52/364295952.db2.gz OYLDQLPEDSCAOI-CYBMUJFWSA-N 0 3 293.342 2.404 20 5 CEBDHN CC[C@H](CCO)CNCc1csc([N+](=O)[O-])c1 ZINC000094949832 364314926 /nfs/dbraw/zinc/31/49/26/364314926.db2.gz SAWJBUNBZSXIIE-SECBINFHSA-N 0 3 258.343 2.155 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000115443959 365005993 /nfs/dbraw/zinc/00/59/93/365005993.db2.gz QIRQIJZYLZAGGS-GFCCVEGCSA-N 0 3 291.351 2.009 20 5 CEBDHN CCC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159145090 366882084 /nfs/dbraw/zinc/88/20/84/366882084.db2.gz WOUVFFIMEHGNPW-AWEZNQCLSA-N 0 3 293.367 2.161 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCCC3)C2)cn1 ZINC000582204713 366878424 /nfs/dbraw/zinc/87/84/24/366878424.db2.gz HPRWAVUBTRFZOA-ZDUSSCGKSA-N 0 3 276.340 2.054 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCc1cnccn1 ZINC000341309921 367279141 /nfs/dbraw/zinc/27/91/41/367279141.db2.gz PZDWCFUNDQCVPL-HWKANZROSA-N 0 3 284.319 2.230 20 5 CEBDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163432804 367238977 /nfs/dbraw/zinc/23/89/77/367238977.db2.gz ZEIDCQJEQBOXRM-FDMGOTLNSA-N 0 3 284.381 2.403 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCO1 ZINC000342592010 367438781 /nfs/dbraw/zinc/43/87/81/367438781.db2.gz FDGLNKUGRIUQPT-AWEZNQCLSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1cnc(N[C@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343530737 367867746 /nfs/dbraw/zinc/86/77/46/367867746.db2.gz OXAMGEOLRZXQGW-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000174846231 368072585 /nfs/dbraw/zinc/07/25/85/368072585.db2.gz FYCXCYFBJCWFIK-GHMZBOCLSA-N 0 3 252.318 2.054 20 5 CEBDHN COC(=O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000183364342 368625174 /nfs/dbraw/zinc/62/51/74/368625174.db2.gz QLERPOJPIIZFKN-ZDUSSCGKSA-N 0 3 292.335 2.431 20 5 CEBDHN CN1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000346696892 368778067 /nfs/dbraw/zinc/77/80/67/368778067.db2.gz XKYSYLJZBMMXCB-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN Cc1ccc(CNCC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349314754 369295807 /nfs/dbraw/zinc/29/58/07/369295807.db2.gz JKHQTZZLNUMGRL-NSHDSACASA-N 0 3 292.257 2.306 20 5 CEBDHN Cc1nc(NC[C@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000349414231 369323404 /nfs/dbraw/zinc/32/34/04/369323404.db2.gz MXSMZBROPUKNCC-RYUDHWBXSA-N 0 3 292.383 2.395 20 5 CEBDHN CC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188672896 369392719 /nfs/dbraw/zinc/39/27/19/369392719.db2.gz XWJUVNCNUYMUSN-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN CC(C)OCC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000349883646 369437232 /nfs/dbraw/zinc/43/72/32/369437232.db2.gz OTGQSYCVSLVQOI-QWHCGFSZSA-N 0 3 296.367 2.421 20 5 CEBDHN CCC1(CNCc2cccc([N+](=O)[O-])c2)COC1 ZINC000343766154 216906935 /nfs/dbraw/zinc/90/69/35/216906935.db2.gz OUBZQOHLNHFSFO-UHFFFAOYSA-N 0 3 250.298 2.111 20 5 CEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ccn(C)n1 ZINC000358256579 370975881 /nfs/dbraw/zinc/97/58/81/370975881.db2.gz UHDCDUNMPVUQHZ-GFCCVEGCSA-N 0 3 288.351 2.439 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C)[C@@H]2CO)cc1[N+](=O)[O-] ZINC000191178448 369688497 /nfs/dbraw/zinc/68/84/97/369688497.db2.gz HLCNMVXNSVKCBS-FZMZJTMJSA-N 0 3 264.325 2.106 20 5 CEBDHN C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000192191332 369779378 /nfs/dbraw/zinc/77/93/78/369779378.db2.gz OUXGLOGNGTVJIR-FZMZJTMJSA-N 0 3 296.392 2.456 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CSC[C@H]1C ZINC000352791829 369880238 /nfs/dbraw/zinc/88/02/38/369880238.db2.gz JFLUUHBCBCISKJ-SKDRFNHKSA-N 0 3 282.365 2.445 20 5 CEBDHN CN(c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000354079861 370208492 /nfs/dbraw/zinc/20/84/92/370208492.db2.gz MHHYHXYFDGBYMG-LBPRGKRZSA-N 0 3 261.325 2.268 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@]1(C)CCO[C@@H]1C ZINC000234888522 370547281 /nfs/dbraw/zinc/54/72/81/370547281.db2.gz JYBJRLKIBFCKEN-YGRLFVJLSA-N 0 3 280.324 2.261 20 5 CEBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000249012375 371282618 /nfs/dbraw/zinc/28/26/18/371282618.db2.gz IUVUZCPFUMBWMN-DABQJJPHSA-N 0 3 294.351 2.207 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](N(C)C)C1 ZINC000360949231 371555759 /nfs/dbraw/zinc/55/57/59/371555759.db2.gz HOHNMPPKRYJGGO-CYBMUJFWSA-N 0 3 291.351 2.328 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[C@@H](C)O ZINC000361045613 371618027 /nfs/dbraw/zinc/61/80/27/371618027.db2.gz YDYIWQZSBVTHIS-GHMZBOCLSA-N 0 3 282.340 2.243 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H](C)O ZINC000361008796 371596504 /nfs/dbraw/zinc/59/65/04/371596504.db2.gz HHYMVISRRBAOCC-RDQDRAATSA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)N(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000361152191 371683354 /nfs/dbraw/zinc/68/33/54/371683354.db2.gz HFJADDIHGJRQEW-OLZOCXBDSA-N 0 3 277.368 2.428 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCNC[C@@H]2c2cccnc2)c1 ZINC000262213428 371838928 /nfs/dbraw/zinc/83/89/28/371838928.db2.gz LTZGTDROSIGRIA-MRXNPFEDSA-N 0 3 298.346 2.136 20 5 CEBDHN CC1(C)[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000269625790 372509444 /nfs/dbraw/zinc/50/94/44/372509444.db2.gz CQOVMJFQTOZFNJ-HZSPNIEDSA-N 0 3 276.336 2.216 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](O)C1 ZINC000272260006 373392386 /nfs/dbraw/zinc/39/23/86/373392386.db2.gz BMRXDSDBTWSFND-DGCLKSJQSA-N 0 3 264.325 2.421 20 5 CEBDHN COC[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000272648123 373599539 /nfs/dbraw/zinc/59/95/39/373599539.db2.gz DUDSXZLJEONSNV-NEPJUHHUSA-N 0 3 282.340 2.215 20 5 CEBDHN Cc1cnc(N[C@H](C)C2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000272652815 373602386 /nfs/dbraw/zinc/60/23/86/373602386.db2.gz AVLMISLQEHEWAK-LLVKDONJSA-N 0 3 276.340 2.361 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C ZINC000274216320 373843426 /nfs/dbraw/zinc/84/34/26/373843426.db2.gz BTFDEYNEUYCFRE-UHFFFAOYSA-N 0 3 294.355 2.237 20 5 CEBDHN Cc1c(CN2CC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373297850 374320306 /nfs/dbraw/zinc/32/03/06/374320306.db2.gz BYIDNSLONAGSPK-OAHLLOKOSA-N 0 3 276.336 2.250 20 5 CEBDHN COCC(C)(C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276899341 374340111 /nfs/dbraw/zinc/34/01/11/374340111.db2.gz HLJJSBGQNBPXBN-UHFFFAOYSA-N 0 3 282.340 2.366 20 5 CEBDHN C[C@H]1COCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000277631606 374586611 /nfs/dbraw/zinc/58/66/11/374586611.db2.gz CFQRYXJLLXVMPV-WPRPVWTQSA-N 0 3 256.327 2.171 20 5 CEBDHN COc1cc(C[NH2+]C[C@@H]2CCSC2)c([N+](=O)[O-])cc1[O-] ZINC000280261520 375147681 /nfs/dbraw/zinc/14/76/81/375147681.db2.gz ZZUNXEBJGXEJHR-VIFPVBQESA-N 0 3 298.364 2.152 20 5 CEBDHN C[C@H](NCC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282137929 375413033 /nfs/dbraw/zinc/41/30/33/375413033.db2.gz BUXZJKXHMGEPEO-OVWNDWIMSA-N 0 3 282.365 2.157 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCN3C[C@H]2C)n1 ZINC000408172154 375422911 /nfs/dbraw/zinc/42/29/11/375422911.db2.gz SJYYCRSIZQEYSQ-OLZOCXBDSA-N 0 3 290.367 2.280 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C)CC1 ZINC000263782561 190078452 /nfs/dbraw/zinc/07/84/52/190078452.db2.gz OKDVBVQVGDPFJI-LBPRGKRZSA-N 0 3 263.341 2.293 20 5 CEBDHN C[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305725973 376457724 /nfs/dbraw/zinc/45/77/24/376457724.db2.gz LLODNUHAYJNBIG-IUODEOHRSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000311780495 376686360 /nfs/dbraw/zinc/68/63/60/376686360.db2.gz XERREHBHLASGGO-CYBMUJFWSA-N 0 3 268.288 2.393 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCN1C ZINC000420998134 376772925 /nfs/dbraw/zinc/77/29/25/376772925.db2.gz HYJLLQDXZYUTFK-AWEZNQCLSA-N 0 3 293.367 2.129 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000330579208 377192877 /nfs/dbraw/zinc/19/28/77/377192877.db2.gz ICIHECCDXWNSND-NEPJUHHUSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000293518670 377604432 /nfs/dbraw/zinc/60/44/32/377604432.db2.gz VVWUTTBQBDOPBX-QWRGUYRKSA-N 0 3 277.324 2.264 20 5 CEBDHN CC1(C)COC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000312961893 249375995 /nfs/dbraw/zinc/37/59/95/249375995.db2.gz AZFKCNCERXSTRA-GFCCVEGCSA-N 0 3 250.298 2.109 20 5 CEBDHN CN1CC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000565597718 377677907 /nfs/dbraw/zinc/67/79/07/377677907.db2.gz MFQJRWQUGNXGGP-LLVKDONJSA-N 0 3 290.367 2.232 20 5 CEBDHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898862 377813860 /nfs/dbraw/zinc/81/38/60/377813860.db2.gz WIRMKSHULAULJT-WDEREUQCSA-N 0 3 289.339 2.113 20 5 CEBDHN Cc1c(CN(C)CC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000295300324 378091798 /nfs/dbraw/zinc/09/17/98/378091798.db2.gz UYIOCDHAXXVFCE-UHFFFAOYSA-N 0 3 266.341 2.354 20 5 CEBDHN CS[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296465515 378541196 /nfs/dbraw/zinc/54/11/96/378541196.db2.gz XNCYCHAVUCCUOC-OLZOCXBDSA-N 0 3 282.365 2.066 20 5 CEBDHN CCOc1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450779436 378574560 /nfs/dbraw/zinc/57/45/60/378574560.db2.gz NOMJAEIIBMILOF-SMDDNHRTSA-N 0 3 291.351 2.134 20 5 CEBDHN O=C(CCN1CC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453012189 378772689 /nfs/dbraw/zinc/77/26/89/378772689.db2.gz IUDMAJPPHZVFGT-ZDUSSCGKSA-N 0 3 289.335 2.408 20 5 CEBDHN Cc1c([C@@H](C)NC[C@@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397952 378886651 /nfs/dbraw/zinc/88/66/51/378886651.db2.gz KFIXXGXCXQFBJW-IAQYHMDHSA-N 0 3 291.351 2.223 20 5 CEBDHN Cc1c([C@H](C)NC[C@]2(C)CCC(=O)N2)cccc1[N+](=O)[O-] ZINC000453397955 378886796 /nfs/dbraw/zinc/88/67/96/378886796.db2.gz KFIXXGXCXQFBJW-NHYWBVRUSA-N 0 3 291.351 2.223 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCSC3)nc2c1 ZINC000278607583 194066962 /nfs/dbraw/zinc/06/69/62/194066962.db2.gz GIHOBSINOUNMKG-MRVPVSSYSA-N 0 3 278.337 2.066 20 5 CEBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299589581 379057353 /nfs/dbraw/zinc/05/73/53/379057353.db2.gz FLORFXBPRROYNM-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299682829 379105501 /nfs/dbraw/zinc/10/55/01/379105501.db2.gz WRRWLUUPXGCRDN-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN Cc1cc(NC[C@@]2(N(C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000267084581 190302235 /nfs/dbraw/zinc/30/22/35/190302235.db2.gz LBSRCAZPCMXRKH-ZDUSSCGKSA-N 0 3 296.396 2.147 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN(C)C ZINC000267547148 190337587 /nfs/dbraw/zinc/33/75/87/190337587.db2.gz XADOASXHLCYAHJ-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(N[C@@H]2CN(C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268168689 190382959 /nfs/dbraw/zinc/38/29/59/190382959.db2.gz QEBIJAZWFSOQOR-CMPLNLGQSA-N 0 3 276.340 2.193 20 5 CEBDHN CO[C@]1(C)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000279228923 194342930 /nfs/dbraw/zinc/34/29/30/194342930.db2.gz DODOEDQTKGBZCS-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)C[C@@H](C)O ZINC000350454866 219023350 /nfs/dbraw/zinc/02/33/50/219023350.db2.gz GBJSIKDKBSGRNG-WDEREUQCSA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@H](N3CCCC3)C2)s1 ZINC000365058305 285173416 /nfs/dbraw/zinc/17/34/16/285173416.db2.gz ZNOBHYQIAJETRR-JTQLQIEISA-N 0 3 282.369 2.116 20 5 CEBDHN CCC[C@H](N[C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281614426 195309911 /nfs/dbraw/zinc/30/99/11/195309911.db2.gz NGHWVJJCCLOTNA-HIFRSBDPSA-N 0 3 296.367 2.423 20 5 CEBDHN CC[C@H](COC)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863631 195933167 /nfs/dbraw/zinc/93/31/67/195933167.db2.gz BPTNZEIWEUAQRH-GXSJLCMTSA-N 0 3 267.329 2.253 20 5 CEBDHN COCC[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000414478494 533304429 /nfs/dbraw/zinc/30/44/29/533304429.db2.gz GDOIJXNEJTZXPT-VIFPVBQESA-N 0 3 258.343 2.419 20 5 CEBDHN C[C@@H]1CC(O)C[C@@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000191287565 130215690 /nfs/dbraw/zinc/21/56/90/130215690.db2.gz IUVUZCPFUMBWMN-VXGBXAGGSA-N 0 3 294.351 2.207 20 5 CEBDHN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301418183 394460361 /nfs/dbraw/zinc/46/03/61/394460361.db2.gz BFUXRIUSKKLJSQ-CQSZACIVSA-N 0 3 273.336 2.354 20 5 CEBDHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766521 394497968 /nfs/dbraw/zinc/49/79/68/394497968.db2.gz AMQSANDHXDDNSP-NRUUGDAUSA-N 0 3 279.340 2.145 20 5 CEBDHN C[C@H](NC(=O)C1(N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766510 394498158 /nfs/dbraw/zinc/49/81/58/394498158.db2.gz LPOARLDDOOHFNV-NSHDSACASA-N 0 3 291.351 2.434 20 5 CEBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413299505 394520877 /nfs/dbraw/zinc/52/08/77/394520877.db2.gz UPINSJYHNLMOTL-ZETCQYMHSA-N 0 3 292.261 2.371 20 5 CEBDHN CCN1CCCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000267185912 394674209 /nfs/dbraw/zinc/67/42/09/394674209.db2.gz GLGQWHLQGVFXCK-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cnccc1N ZINC000422733627 394746674 /nfs/dbraw/zinc/74/66/74/394746674.db2.gz BPFFOTHKDPFZFN-LLVKDONJSA-N 0 3 286.335 2.296 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000422632910 394722169 /nfs/dbraw/zinc/72/21/69/394722169.db2.gz NKWPKPRXEUOEBN-RYUDHWBXSA-N 0 3 291.351 2.034 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCN(C)[C@H](C)[C@H]1C ZINC000361152103 394817714 /nfs/dbraw/zinc/81/77/14/394817714.db2.gz HZXDHLUXZXOPDG-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(C)[C@@H]1C ZINC000343479176 395040490 /nfs/dbraw/zinc/04/04/90/395040490.db2.gz QNCBZRRHCYKRIT-ZYHUDNBSSA-N 0 3 264.329 2.193 20 5 CEBDHN COc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471585 395115355 /nfs/dbraw/zinc/11/53/55/395115355.db2.gz HPFVREFKHFPRJW-IUODEOHRSA-N 0 3 292.335 2.261 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000181055055 395208984 /nfs/dbraw/zinc/20/89/84/395208984.db2.gz MKCABWDLNVXPSP-JKOKRWQUSA-N 0 3 264.325 2.467 20 5 CEBDHN CC[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408473241 395299949 /nfs/dbraw/zinc/29/99/49/395299949.db2.gz ZRFUWGSWFQERLO-MNOVXSKESA-N 0 3 294.330 2.192 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCC2)c2ccncc21 ZINC000443888897 395404167 /nfs/dbraw/zinc/40/41/67/395404167.db2.gz LPSAKWNSNFCTQQ-UHFFFAOYSA-N 0 3 272.308 2.261 20 5 CEBDHN COC[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476478 395529047 /nfs/dbraw/zinc/52/90/47/395529047.db2.gz YCXLFVCFMKOCGY-BXKDBHETSA-N 0 3 250.298 2.207 20 5 CEBDHN CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449495258 395550901 /nfs/dbraw/zinc/55/09/01/395550901.db2.gz HQYCIUIRUUPMET-RISCZKNCSA-N 0 3 264.325 2.452 20 5 CEBDHN CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000449495263 395551106 /nfs/dbraw/zinc/55/11/06/395551106.db2.gz HQYCIUIRUUPMET-SMDDNHRTSA-N 0 3 264.325 2.452 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000572826843 395589095 /nfs/dbraw/zinc/58/90/95/395589095.db2.gz FDMYOVZJVSREKO-WDEREUQCSA-N 0 3 286.335 2.330 20 5 CEBDHN COc1cc(CN(C)[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000360482616 155311449 /nfs/dbraw/zinc/31/14/49/155311449.db2.gz KJZCAZDHTGLYIR-CYBMUJFWSA-N 0 3 296.367 2.442 20 5 CEBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000226738096 153337685 /nfs/dbraw/zinc/33/76/85/153337685.db2.gz VRXDQAQYGBPBEC-UHFFFAOYSA-N 0 3 287.747 2.238 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316967 153388801 /nfs/dbraw/zinc/38/88/01/153388801.db2.gz MSRGEVWUYQATEE-KBPBESRZSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1c(CN2CCN(C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000357076279 154371767 /nfs/dbraw/zinc/37/17/67/154371767.db2.gz WRDBWOLCTIXZCU-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN CCCN1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000363626498 156037767 /nfs/dbraw/zinc/03/77/67/156037767.db2.gz JQUXCVHCSXCAQU-UHFFFAOYSA-N 0 3 297.380 2.214 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@]23CCOC3)c1 ZINC000367456246 156186592 /nfs/dbraw/zinc/18/65/92/156186592.db2.gz BCFLOTHEFJZNQY-OAHLLOKOSA-N 0 3 292.335 2.229 20 5 CEBDHN CC(C)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174876623 165119711 /nfs/dbraw/zinc/11/97/11/165119711.db2.gz KUFBLTLICNUAID-UHFFFAOYSA-N 0 3 266.345 2.159 20 5 CEBDHN CCC[C@H](NCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199286 171063040 /nfs/dbraw/zinc/06/30/40/171063040.db2.gz QJPOBPMPDUSSMV-AWEZNQCLSA-N 0 3 282.340 2.035 20 5 CEBDHN CSCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285219481 196224593 /nfs/dbraw/zinc/22/45/93/196224593.db2.gz FEMVCHNSEZNXQQ-UHFFFAOYSA-N 0 3 254.355 2.432 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285371430 196263393 /nfs/dbraw/zinc/26/33/93/196263393.db2.gz RGLHEOLAJDERIS-UHFFFAOYSA-N 0 3 299.321 2.399 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCOC2)cs1 ZINC000038045172 174053355 /nfs/dbraw/zinc/05/33/55/174053355.db2.gz CTTMJVJTERPGTA-VIFPVBQESA-N 0 3 256.327 2.173 20 5 CEBDHN C[C@@H](N[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672578 174370315 /nfs/dbraw/zinc/37/03/15/174370315.db2.gz JVUCEDRWVJHFQB-YPMHNXCESA-N 0 3 263.341 2.340 20 5 CEBDHN O=C(NC1CCN(C2CC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000045059479 175298009 /nfs/dbraw/zinc/29/80/09/175298009.db2.gz PTWWPUQIQHVXRF-UHFFFAOYSA-N 0 3 295.364 2.013 20 5 CEBDHN CCC[C@@H](NC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270591 176103825 /nfs/dbraw/zinc/10/38/25/176103825.db2.gz BCICZIBCUPTLDQ-UONOGXRCSA-N 0 3 282.340 2.033 20 5 CEBDHN CC[C@](C)(CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000077111507 177225178 /nfs/dbraw/zinc/22/51/78/177225178.db2.gz RZFSPSDDBKMSKE-CYBMUJFWSA-N 0 3 252.314 2.154 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cnccc1N ZINC000422796005 270773150 /nfs/dbraw/zinc/77/31/50/270773150.db2.gz XHTXZQHYRJNHNT-NSHDSACASA-N 0 3 286.335 2.296 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@@]1(C)CO ZINC000430241660 271367023 /nfs/dbraw/zinc/36/70/23/271367023.db2.gz GWGXWFWNMRRALQ-GJZGRUSLSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ccncc1[N+](=O)[O-] ZINC000341135719 274295435 /nfs/dbraw/zinc/29/54/35/274295435.db2.gz YPQWYXIMIYDTME-TXEJJXNPSA-N 0 3 278.356 2.087 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291332183 276349715 /nfs/dbraw/zinc/34/97/15/276349715.db2.gz VWWYPLJSFFRBLE-GFCCVEGCSA-N 0 3 282.340 2.330 20 5 CEBDHN COc1cccc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000185339393 278016880 /nfs/dbraw/zinc/01/68/80/278016880.db2.gz NCQPZUHQQFGOES-LBPRGKRZSA-N 0 3 291.351 2.278 20 5 CEBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000020208243 278357802 /nfs/dbraw/zinc/35/78/02/278357802.db2.gz MJYFAOYSQQNFOA-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000120540491 288075617 /nfs/dbraw/zinc/07/56/17/288075617.db2.gz FHBCYDHFTUONLD-YPMHNXCESA-N 0 3 291.351 2.007 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000343471236 281008638 /nfs/dbraw/zinc/00/86/38/281008638.db2.gz WAJNJTSGTPDTLH-AAEUAGOBSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@](C)(C(N)=O)C1 ZINC000361558736 281021984 /nfs/dbraw/zinc/02/19/84/281021984.db2.gz YJTJMOPVJJXQIC-XHDPSFHLSA-N 0 3 291.351 2.162 20 5 CEBDHN COCC[C@H](C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000414489771 292665353 /nfs/dbraw/zinc/66/53/53/292665353.db2.gz ZDNLYPRFASWTJZ-JTQLQIEISA-N 0 3 298.339 2.071 20 5 CEBDHN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c2ccncc21 ZINC000581934216 322432451 /nfs/dbraw/zinc/43/24/51/322432451.db2.gz ZXMRUFBVUCBZRF-TXEJJXNPSA-N 0 3 298.346 2.474 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCn1cccn1 ZINC000583703550 322563530 /nfs/dbraw/zinc/56/35/30/322563530.db2.gz AOMSETNYDRRFJB-ZDUSSCGKSA-N 0 3 272.308 2.068 20 5 CEBDHN CO[C@H](CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000292921350 523951421 /nfs/dbraw/zinc/95/14/21/523951421.db2.gz GELQMOGBJJKSME-CYBMUJFWSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(O)c1ccco1 ZINC000183517526 525566045 /nfs/dbraw/zinc/56/60/45/525566045.db2.gz QARBQHQXPTWAAI-HNNXBMFYSA-N 0 3 290.319 2.494 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cncs2)cc1 ZINC000054788302 527347930 /nfs/dbraw/zinc/34/79/30/527347930.db2.gz ONEGLYYZCDCSJZ-UHFFFAOYSA-N 0 3 263.322 2.384 20 5 CEBDHN CN(C)C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000263926102 535942188 /nfs/dbraw/zinc/94/21/88/535942188.db2.gz VSMKENIYAAUPCD-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN C[C@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000751925393 574474510 /nfs/dbraw/zinc/47/45/10/574474510.db2.gz DOOKBJSWDYIDQO-QWRGUYRKSA-N 0 3 274.324 2.490 20 5 CEBDHN Cc1cc(C(=O)NCCN2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000742241091 575013515 /nfs/dbraw/zinc/01/35/15/575013515.db2.gz NGRVBOLDFSNCEM-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCc1ccccc1F)CCn1ccc([N+](=O)[O-])n1 ZINC000747958738 575177070 /nfs/dbraw/zinc/17/70/70/575177070.db2.gz BMEORZOSILBJMM-UHFFFAOYSA-N 0 3 292.314 2.105 20 5 CEBDHN CC[C@](C)(CC(=O)OC)NCc1cccc([N+](=O)[O-])c1 ZINC000748242501 575181121 /nfs/dbraw/zinc/18/11/21/575181121.db2.gz NSJIASSIRORQML-CQSZACIVSA-N 0 3 280.324 2.416 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C3CCC2CC3)c1 ZINC000750034329 575244673 /nfs/dbraw/zinc/24/46/73/575244673.db2.gz AHSHSAIJDOVXDS-YIZWMMSDSA-N 0 3 262.309 2.255 20 5 CEBDHN CCC(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000982932671 614950627 /nfs/dbraw/zinc/95/06/27/614950627.db2.gz AFKKBSSOVACNJY-HOMQSWHASA-N 0 3 297.380 2.051 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1cccc(F)c1)[N+](=O)[O-] ZINC000813101691 623017792 /nfs/dbraw/zinc/01/77/92/623017792.db2.gz HBHSIFUEOAIRDB-IUCAKERBSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813112652 623058931 /nfs/dbraw/zinc/05/89/31/623058931.db2.gz SEDHCZVPZHSMFI-VIFPVBQESA-N 0 3 252.270 2.027 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000892875958 627825892 /nfs/dbraw/zinc/82/58/92/627825892.db2.gz LKLUBMCKFZEYPC-VHSXEESVSA-N 0 3 292.339 2.036 20 5 CEBDHN CC(COC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1)[N+](=O)[O-] ZINC000893048232 627968713 /nfs/dbraw/zinc/96/87/13/627968713.db2.gz SYKFUSIOXCZBHS-MPKXVKKWSA-N 0 3 281.283 2.265 20 5 CEBDHN CC1(C)COC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000313026322 628575402 /nfs/dbraw/zinc/57/54/02/628575402.db2.gz NLVJPTPWPCTSPK-GFCCVEGCSA-N 0 3 268.288 2.249 20 5 CEBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000893939159 629054686 /nfs/dbraw/zinc/05/46/86/629054686.db2.gz IACOTHTVLKHLHX-RNCFNFMXSA-N 0 3 281.743 2.389 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000894413695 629445131 /nfs/dbraw/zinc/44/51/31/629445131.db2.gz NOTDHYHSLFQHKT-PSASIEDQSA-N 0 3 298.364 2.150 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2CSC[C@H]2C)c1[N+](=O)[O-] ZINC000894413695 629445134 /nfs/dbraw/zinc/44/51/34/629445134.db2.gz NOTDHYHSLFQHKT-PSASIEDQSA-N 0 3 298.364 2.150 20 5 CEBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000894657186 629577328 /nfs/dbraw/zinc/57/73/28/629577328.db2.gz JIKFRUSCTLXJDO-CJYSPXJISA-N 0 3 294.351 2.438 20 5 CEBDHN CC(COC(=O)[C@@H](C)[C@@H]1OCCc2sccc21)[N+](=O)[O-] ZINC000797277609 631109763 /nfs/dbraw/zinc/10/97/63/631109763.db2.gz CXRLKYGASDRWFE-PTRXPTGYSA-N 0 3 299.348 2.206 20 5 CEBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801526820 631283166 /nfs/dbraw/zinc/28/31/66/631283166.db2.gz XXSFVLOFCQMGAR-WDEREUQCSA-N 0 3 281.331 2.258 20 5 CEBDHN Cc1ccc([C@H](C)NCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000927085863 632454620 /nfs/dbraw/zinc/45/46/20/632454620.db2.gz SIEKWQNNPAYTGV-GXTWGEPZSA-N 0 3 294.351 2.359 20 5 CEBDHN CC(C)c1nn(C)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813100952 632620632 /nfs/dbraw/zinc/62/06/32/632620632.db2.gz YXWJOTOTGCDEDV-SSDOTTSWSA-N 0 3 289.719 2.019 20 5 CEBDHN CC(COC(=O)c1ccc(-n2cccc2)c(F)c1)[N+](=O)[O-] ZINC000813103595 632622116 /nfs/dbraw/zinc/62/21/16/632622116.db2.gz QWFAZYRBQKWMLQ-SNVBAGLBSA-N 0 3 292.266 2.438 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@]12CCCc1ccccc12)[N+](=O)[O-] ZINC000813102754 632622121 /nfs/dbraw/zinc/62/21/21/632622121.db2.gz USGAPLVJVJFKNH-WPGHFRTFSA-N 0 3 289.331 2.489 20 5 CEBDHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000813104489 632623060 /nfs/dbraw/zinc/62/30/60/632623060.db2.gz DGELAYFFIISKOB-MRVPVSSYSA-N 0 3 296.323 2.300 20 5 CEBDHN Cc1ccc2c(CC(=O)OCC(C)[N+](=O)[O-])c[nH]c2c1 ZINC000813105092 632623452 /nfs/dbraw/zinc/62/34/52/632623452.db2.gz VNCABXOVDKAMTK-JTQLQIEISA-N 0 3 276.292 2.227 20 5 CEBDHN CSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105241 632623972 /nfs/dbraw/zinc/62/39/72/632623972.db2.gz KZIKLKARGSMRIA-QMMMGPOBSA-N 0 3 255.295 2.231 20 5 CEBDHN CC(COC(=O)c1cc2[nH]ccc2s1)[N+](=O)[O-] ZINC000813107789 632624587 /nfs/dbraw/zinc/62/45/87/632624587.db2.gz WFABGKPASLBMCQ-LURJTMIESA-N 0 3 254.267 2.051 20 5 CEBDHN CC(COC(=O)c1ccc(OC2CCC2)cc1)[N+](=O)[O-] ZINC000813106450 632625027 /nfs/dbraw/zinc/62/50/27/632625027.db2.gz CKBJFLSIPWWZIW-SNVBAGLBSA-N 0 3 279.292 2.440 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)CCCC2)[N+](=O)[O-] ZINC000813112137 632627511 /nfs/dbraw/zinc/62/75/11/632627511.db2.gz CDKHYMJVKIWJFT-SNVBAGLBSA-N 0 3 263.293 2.387 20 5 CEBDHN CC(COC(=O)C1(c2cccnc2)CCCC1)[N+](=O)[O-] ZINC000813111058 632627797 /nfs/dbraw/zinc/62/77/97/632627797.db2.gz BLAYJFZJRYYFRY-LLVKDONJSA-N 0 3 278.308 2.102 20 5 CEBDHN CCSc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813114237 632628189 /nfs/dbraw/zinc/62/81/89/632628189.db2.gz OGODULKJAYOHRM-QMMMGPOBSA-N 0 3 270.310 2.016 20 5 CEBDHN CCC(CC)n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813113404 632628298 /nfs/dbraw/zinc/62/82/98/632628298.db2.gz DDOWOXDROFOQQL-SECBINFHSA-N 0 3 269.301 2.066 20 5 CEBDHN CC(COC(=O)[C@H]1CCSc2ccccc21)[N+](=O)[O-] ZINC000813115594 632629087 /nfs/dbraw/zinc/62/90/87/632629087.db2.gz WAOYLFOKHOTADM-KOLCDFICSA-N 0 3 281.333 2.474 20 5 CEBDHN Cc1ccc(-c2ocnc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813114776 632629563 /nfs/dbraw/zinc/62/95/63/632629563.db2.gz WLXMIRJWCCGDOY-SNVBAGLBSA-N 0 3 290.275 2.472 20 5 CEBDHN O=[N+]([O-])CCNCCc1ccc(Cl)cc1Cl ZINC000899859233 633054765 /nfs/dbraw/zinc/05/47/65/633054765.db2.gz HJJORCZKAYUTCF-UHFFFAOYSA-N 0 3 263.124 2.402 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1F ZINC000817131627 633590527 /nfs/dbraw/zinc/59/05/27/633590527.db2.gz HSKXJOSBNQVTGT-NSHDSACASA-N 0 3 267.304 2.264 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CNC2CC(F)(F)C2)c1 ZINC000819264325 634121408 /nfs/dbraw/zinc/12/14/08/634121408.db2.gz REYOZKPAWUFSMP-LLVKDONJSA-N 0 3 272.251 2.016 20 5 CEBDHN CCN1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910288011 637979516 /nfs/dbraw/zinc/97/95/16/637979516.db2.gz JJVNQPCBTWQIKD-JTQLQIEISA-N 0 3 297.380 2.213 20 5 CEBDHN CO[C@@H]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876751107 650419068 /nfs/dbraw/zinc/41/90/68/650419068.db2.gz UYFZCHZDWWDIOT-GFCCVEGCSA-N 0 3 264.325 2.432 20 5 CEBDHN C[C@H](NC[C@@H]1COC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000230203422 639745742 /nfs/dbraw/zinc/74/57/42/639745742.db2.gz XKDONDMXVOMPAU-WDEREUQCSA-N 0 3 280.324 2.397 20 5 CEBDHN C[C@@H](CCO)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844449077 640730753 /nfs/dbraw/zinc/73/07/53/640730753.db2.gz IIYXCWAIHJIACX-VIFPVBQESA-N 0 3 272.732 2.451 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC1(CO)CC1 ZINC000877461250 650729948 /nfs/dbraw/zinc/72/99/48/650729948.db2.gz CHIGSHBRJIIMHI-UHFFFAOYSA-N 0 3 278.352 2.416 20 5 CEBDHN CN1CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440085 642323479 /nfs/dbraw/zinc/32/34/79/642323479.db2.gz OBGPTNXOUJDPEV-NSHDSACASA-N 0 3 269.732 2.042 20 5 CEBDHN C[C@](CO)(NC[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000877692319 650853996 /nfs/dbraw/zinc/85/39/96/650853996.db2.gz YFASDJFBUYOKRE-HUUCEWRRSA-N 0 3 292.335 2.085 20 5 CEBDHN CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839662181 644766669 /nfs/dbraw/zinc/76/66/69/644766669.db2.gz DVNDIKIQSAQJEN-MWLCHTKSSA-N 0 3 286.690 2.103 20 5 CEBDHN Cc1ccc2occ(CC(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000860775975 645901942 /nfs/dbraw/zinc/90/19/42/645901942.db2.gz AIQWUXILZSUJJX-JTQLQIEISA-N 0 3 277.276 2.492 20 5 CEBDHN C[C@@H]1C[C@@H](C)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791565115 648543996 /nfs/dbraw/zinc/54/39/96/648543996.db2.gz FGOXLLXZMHUVFM-GIPNMCIBSA-N 0 3 250.298 2.111 20 5 CEBDHN CC(COC(=O)c1conc1C1CCCC1)[N+](=O)[O-] ZINC000870376718 648789464 /nfs/dbraw/zinc/78/94/64/648789464.db2.gz LEXAIGOZEAAAPN-QMMMGPOBSA-N 0 3 268.269 2.154 20 5 CEBDHN C[C@@H](N[C@@H]1CCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035567 649249065 /nfs/dbraw/zinc/24/90/65/649249065.db2.gz XDQJXYUNQXNQAJ-NXEZZACHSA-N 0 3 267.304 2.089 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CC(N)=O ZINC000872043678 649252385 /nfs/dbraw/zinc/25/23/85/649252385.db2.gz KJMULVUASBUPQK-BDAKNGLRSA-N 0 3 297.380 2.231 20 5 CEBDHN Cc1nc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872061079 649258022 /nfs/dbraw/zinc/25/80/22/649258022.db2.gz VXRUAGXMTFNZAN-MRVPVSSYSA-N 0 3 293.302 2.054 20 5 CEBDHN Cc1n[nH]c(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872061079 649258025 /nfs/dbraw/zinc/25/80/25/649258025.db2.gz VXRUAGXMTFNZAN-MRVPVSSYSA-N 0 3 293.302 2.054 20 5 CEBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc(F)cc1[N+](=O)[O-] ZINC000872781766 649488777 /nfs/dbraw/zinc/48/87/77/649488777.db2.gz YLPALYGCRVVTNM-VXGBXAGGSA-N 0 3 279.315 2.407 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000878993029 651223604 /nfs/dbraw/zinc/22/36/04/651223604.db2.gz VLFRTWDGMGVRHH-BETUJISGSA-N 0 3 292.335 2.287 20 5 CEBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000879684165 651338879 /nfs/dbraw/zinc/33/88/79/651338879.db2.gz GLTLSHOESDWDJQ-LLVKDONJSA-N 0 3 290.323 2.058 20 5 CEBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc2cc[nH]c2c1 ZINC000879726004 651343690 /nfs/dbraw/zinc/34/36/90/651343690.db2.gz IFKPKSILYOQFGJ-UHFFFAOYSA-N 0 3 299.334 2.405 20 5 CEBDHN C[C@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000882072476 651952107 /nfs/dbraw/zinc/95/21/07/651952107.db2.gz FIBHGXBSPWTOAM-IUCAKERBSA-N 0 3 280.303 2.166 20 5 CEBDHN CC[C@](C)(CC(=O)OC)NCc1ccccc1[N+](=O)[O-] ZINC000134135149 652777627 /nfs/dbraw/zinc/77/76/27/652777627.db2.gz XKMWWYDTBRTBHI-CQSZACIVSA-N 0 3 280.324 2.416 20 5 CEBDHN CC[S@](=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135461757 652969319 /nfs/dbraw/zinc/96/93/19/652969319.db2.gz ZOLMAAIECYBOQS-MLCYQJTMSA-N 0 3 270.354 2.014 20 5 CEBDHN Cc1c(CNCCO[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000690952808 805842999 /nfs/dbraw/zinc/84/29/99/805842999.db2.gz MTBYBFRWLOCCGN-LBPRGKRZSA-N 0 3 286.278 2.417 20 5 CEBDHN CCOC(CCNCc1ccccc1[N+](=O)[O-])OCC ZINC000159541619 806820853 /nfs/dbraw/zinc/82/08/53/806820853.db2.gz DCLNSNPFKSHWIL-UHFFFAOYSA-N 0 3 282.340 2.474 20 5 CEBDHN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000716016549 815013947 /nfs/dbraw/zinc/01/39/47/815013947.db2.gz CTJPBGLPYVYTNK-CABZTGNLSA-N 0 3 293.348 2.436 20 5 CEBDHN Cn1cc(CN2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC001119306272 815087442 /nfs/dbraw/zinc/08/74/42/815087442.db2.gz NKEJYFGENQMCQN-RYUDHWBXSA-N 0 3 278.356 2.340 20 5 CEBDHN CC[C@@H]1COC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000699477224 807724541 /nfs/dbraw/zinc/72/45/41/807724541.db2.gz DZWRPXWWYNWAFT-ZYHUDNBSSA-N 0 3 250.298 2.109 20 5 CEBDHN CC(C)(O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707130634 809880528 /nfs/dbraw/zinc/88/05/28/809880528.db2.gz KZMSPYNWGVARKF-CYBMUJFWSA-N 0 3 282.315 2.469 20 5 CEBDHN COc1cccc(F)c1CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168976197 811304711 /nfs/dbraw/zinc/30/47/11/811304711.db2.gz ZHSMIIRFQPXBRV-MNOVXSKESA-N 0 3 282.315 2.369 20 5 CEBDHN C[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cscn1 ZINC001168966060 811316939 /nfs/dbraw/zinc/31/69/39/811316939.db2.gz GAODEFUOSKNYPV-LPEHRKFASA-N 0 3 255.343 2.239 20 5 CEBDHN Cc1cccc2c1[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N2 ZINC001168966481 811318293 /nfs/dbraw/zinc/31/82/93/811318293.db2.gz IMKBUXWQPNYMAN-MJVIPROJSA-N 0 3 289.335 2.023 20 5 CEBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168975648 811323159 /nfs/dbraw/zinc/32/31/59/811323159.db2.gz WQKTWDHBBZCCQS-GXSJLCMTSA-N 0 3 298.289 2.183 20 5 CEBDHN CN(C1COC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917820 815544357 /nfs/dbraw/zinc/54/43/57/815544357.db2.gz XAJDALNGIQDOHV-ZDUSSCGKSA-N 0 3 276.336 2.173 20 5 CEBDHN Cc1cncc([N+](=O)[O-])c1N[C@H](C)CN1CCCCC1 ZINC001117281318 814913389 /nfs/dbraw/zinc/91/33/89/814913389.db2.gz QCXJNXKIIIAHGJ-GFCCVEGCSA-N 0 3 278.356 2.006 20 5 CEBDHN C[C@@H](NCCOC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000714982236 814920050 /nfs/dbraw/zinc/92/00/50/814920050.db2.gz JNSXDYXTNBOTHJ-SNVBAGLBSA-N 0 3 250.298 2.424 20 5 CEBDHN COC[C@@H]1CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232503 815632351 /nfs/dbraw/zinc/63/23/51/815632351.db2.gz BUXFNGDLZUDCTL-RISCZKNCSA-N 0 3 264.325 2.247 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccno1 ZINC001173209281 815635422 /nfs/dbraw/zinc/63/54/22/815635422.db2.gz BANYYHKNHWDCJV-JTQLQIEISA-N 0 3 261.281 2.304 20 5 CEBDHN CN(CCCn1ccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000124398017 187136318 /nfs/dbraw/zinc/13/63/18/187136318.db2.gz MZKWMOMLVVQLHP-UHFFFAOYSA-N 0 3 274.324 2.313 20 5 CEBDHN CCCN1CCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000124446855 187137724 /nfs/dbraw/zinc/13/77/24/187137724.db2.gz LTZFDCLRBSGDCG-AWEZNQCLSA-N 0 3 291.351 2.085 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1C[C@H]1CCCCN1C(C)C ZINC000412998242 282168435 /nfs/dbraw/zinc/16/84/35/282168435.db2.gz YDJRXPRHAWZOQB-GFCCVEGCSA-N 0 3 266.345 2.363 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)c(F)c1 ZINC000047873289 362229221 /nfs/dbraw/zinc/22/92/21/362229221.db2.gz OEVXUMKNIOBZHM-UHFFFAOYSA-N 0 3 253.277 2.242 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000295006702 199295830 /nfs/dbraw/zinc/29/58/30/199295830.db2.gz AMHOZXPIBDXIQM-LLVKDONJSA-N 0 3 264.329 2.073 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(CCCO)C2)c1 ZINC000295062030 199324902 /nfs/dbraw/zinc/32/49/02/199324902.db2.gz YVFWXEZJCAQDFX-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000057159886 343625900 /nfs/dbraw/zinc/62/59/00/343625900.db2.gz BNCNOERAUQWSPZ-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000449580453 282290913 /nfs/dbraw/zinc/29/09/13/282290913.db2.gz QODONOFETTXWFF-KGLIPLIRSA-N 0 3 292.335 2.416 20 5 CEBDHN CC[C@H]1C[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072698177 343809277 /nfs/dbraw/zinc/80/92/77/343809277.db2.gz YVXCGURODNBGFH-MFKMUULPSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1CC1 ZINC000048580021 362287052 /nfs/dbraw/zinc/28/70/52/362287052.db2.gz QQGJZNZRNIFQDV-JTQLQIEISA-N 0 3 277.324 2.264 20 5 CEBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1CC1 ZINC000048579955 362287597 /nfs/dbraw/zinc/28/75/97/362287597.db2.gz GUCGFMWEHMDADO-JTQLQIEISA-N 0 3 277.324 2.264 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CN(CC1CCOCC1)CC2 ZINC000088605499 344112317 /nfs/dbraw/zinc/11/23/17/344112317.db2.gz JHOYTMCVAOWFAJ-UHFFFAOYSA-N 0 3 276.336 2.380 20 5 CEBDHN COCCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000091480262 344164752 /nfs/dbraw/zinc/16/47/52/344164752.db2.gz HWFZCXSPXPRZGP-CQSZACIVSA-N 0 3 279.340 2.118 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C2CC2)c1 ZINC000351589687 219135466 /nfs/dbraw/zinc/13/54/66/219135466.db2.gz ZXAAPVIWFWCUEH-UHFFFAOYSA-N 0 3 263.341 2.434 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CCCN(C)C2)c1 ZINC000092652182 344197723 /nfs/dbraw/zinc/19/77/23/344197723.db2.gz ZRGLFFOXZWKVTK-JTQLQIEISA-N 0 3 297.330 2.496 20 5 CEBDHN Cn1cc(CN2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602460248 347042000 /nfs/dbraw/zinc/04/20/00/347042000.db2.gz XIKIESDKPOIZKU-NSHDSACASA-N 0 3 266.345 2.339 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCN(c3ccncc3)CC2)c1 ZINC000161287011 344463562 /nfs/dbraw/zinc/46/35/62/344463562.db2.gz DVPCXIQUSQWCSJ-UHFFFAOYSA-N 0 3 298.346 2.312 20 5 CEBDHN CC[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229935061 344569363 /nfs/dbraw/zinc/56/93/63/344569363.db2.gz JAPVTUHZQZUFIK-NSHDSACASA-N 0 3 295.730 2.298 20 5 CEBDHN CO[C@@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000050370383 362416948 /nfs/dbraw/zinc/41/69/48/362416948.db2.gz YFFLINBGNHXNCC-DGCLKSJQSA-N 0 3 250.298 2.252 20 5 CEBDHN Cn1cc(CCCNCc2ccccc2[N+](=O)[O-])cn1 ZINC000237778204 344603860 /nfs/dbraw/zinc/60/38/60/344603860.db2.gz YOMVSOFWCKEKHO-UHFFFAOYSA-N 0 3 274.324 2.051 20 5 CEBDHN CC(C)N1CC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401225228 344867661 /nfs/dbraw/zinc/86/76/61/344867661.db2.gz WWKRTYRELUIQOE-SNVBAGLBSA-N 0 3 268.292 2.024 20 5 CEBDHN CC(C)N1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401225227 344867859 /nfs/dbraw/zinc/86/78/59/344867859.db2.gz WWKRTYRELUIQOE-JTQLQIEISA-N 0 3 268.292 2.024 20 5 CEBDHN COc1ccc(CN2CC[C@@H](CCCO)C2)cc1[N+](=O)[O-] ZINC000449789797 282369146 /nfs/dbraw/zinc/36/91/46/282369146.db2.gz IHGCKLJLNFVOHP-GFCCVEGCSA-N 0 3 294.351 2.198 20 5 CEBDHN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000584819065 344989450 /nfs/dbraw/zinc/98/94/50/344989450.db2.gz SCGUWYWKJBPBSF-ZDUSSCGKSA-N 0 3 292.339 2.232 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](O)C1CC1 ZINC000589196420 345070630 /nfs/dbraw/zinc/07/06/30/345070630.db2.gz AOCJKQZYXMSJNQ-AWEZNQCLSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1nc(N2CCCN(C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000590687321 345160788 /nfs/dbraw/zinc/16/07/88/345160788.db2.gz KNCKSMIWFLTWAC-UHFFFAOYSA-N 0 3 293.371 2.004 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCCC[C@@H]2CO)cc1 ZINC000594015242 345566735 /nfs/dbraw/zinc/56/67/35/345566735.db2.gz YWTHHQYAJVDSPU-CQSZACIVSA-N 0 3 294.351 2.211 20 5 CEBDHN CC[C@@](C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495747 345638311 /nfs/dbraw/zinc/63/83/11/345638311.db2.gz VERBIAFHJQLVSQ-GXTWGEPZSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C[C@H](C)O)C1CC1 ZINC000594615363 345662833 /nfs/dbraw/zinc/66/28/33/345662833.db2.gz NKKIQIBWCXHYRL-NSHDSACASA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510189 345640981 /nfs/dbraw/zinc/64/09/81/345640981.db2.gz ARTSBJBSLKTUIV-CABZTGNLSA-N 0 3 264.325 2.331 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000594599259 345656306 /nfs/dbraw/zinc/65/63/06/345656306.db2.gz IPVKQVHSAXDYDL-OLZOCXBDSA-N 0 3 276.340 2.419 20 5 CEBDHN CC(C)CN(CCN(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000058883686 362641437 /nfs/dbraw/zinc/64/14/37/362641437.db2.gz ZHBBLMYGSSEDLZ-UHFFFAOYSA-N 0 3 299.396 2.316 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[C@H](C)O ZINC000595007036 345725519 /nfs/dbraw/zinc/72/55/19/345725519.db2.gz FATWQGJEWBKKEG-UWVGGRQHSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCN1C ZINC000595010875 345725957 /nfs/dbraw/zinc/72/59/57/345725957.db2.gz ZNPDQBYWIQBYLE-AAEUAGOBSA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)O ZINC000595021020 345728743 /nfs/dbraw/zinc/72/87/43/345728743.db2.gz WKIDFMYTNSXVON-SECBINFHSA-N 0 3 268.313 2.025 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CCCO ZINC000595022265 345729796 /nfs/dbraw/zinc/72/97/96/345729796.db2.gz TTYPEGGJWTYELJ-QWRGUYRKSA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC/C=C/CO)CCC2 ZINC000595066079 345738213 /nfs/dbraw/zinc/73/82/13/345738213.db2.gz BUOLAALJYXZRCX-VSZDKKFSSA-N 0 3 262.309 2.110 20 5 CEBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(CO)CC1 ZINC000595066258 345738539 /nfs/dbraw/zinc/73/85/39/345738539.db2.gz HBZXUOPRGYEXLC-ZWNOBZJWSA-N 0 3 276.336 2.333 20 5 CEBDHN CC(C)[C@](C)(CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595488753 345794084 /nfs/dbraw/zinc/79/40/84/345794084.db2.gz CQDXFVUPOMIQRN-ZDUSSCGKSA-N 0 3 270.304 2.231 20 5 CEBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595731400 345861626 /nfs/dbraw/zinc/86/16/26/345861626.db2.gz FRSIKEQCCJTZEU-QWRGUYRKSA-N 0 3 264.325 2.044 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(COC2)C1 ZINC000595834061 345890708 /nfs/dbraw/zinc/89/07/08/345890708.db2.gz GNUQYJAXPKJLPO-NSHDSACASA-N 0 3 262.309 2.378 20 5 CEBDHN CC[NH+](CC)CCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596098444 345939537 /nfs/dbraw/zinc/93/95/37/345939537.db2.gz NXJPIIHDKOYXKV-UHFFFAOYSA-N 0 3 282.344 2.229 20 5 CEBDHN CC[C@@H]1CCCC[N@@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596126040 345945264 /nfs/dbraw/zinc/94/52/64/345945264.db2.gz HXBSLUVAXROBND-LLVKDONJSA-N 0 3 294.355 2.372 20 5 CEBDHN CC[C@@H]1CCCC[N@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596126040 345945266 /nfs/dbraw/zinc/94/52/66/345945266.db2.gz HXBSLUVAXROBND-LLVKDONJSA-N 0 3 294.355 2.372 20 5 CEBDHN C[C@H]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)O1 ZINC000128292376 187362202 /nfs/dbraw/zinc/36/22/02/187362202.db2.gz FJOLRAXMANPPFC-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN Cc1cc(NCCOCCF)c2cc([N+](=O)[O-])ccc2n1 ZINC000596569447 346057055 /nfs/dbraw/zinc/05/70/55/346057055.db2.gz HPQCWMBPAWPCNS-UHFFFAOYSA-N 0 3 293.298 2.271 20 5 CEBDHN Cc1c([C@H](C)NC[C@@H](O)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000599067243 346454771 /nfs/dbraw/zinc/45/47/71/346454771.db2.gz YEPVYUBANINLKD-GLQYFDAESA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1nc(NC[C@H]2CCN2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599164706 346470820 /nfs/dbraw/zinc/47/08/20/346470820.db2.gz KEMUIQJSAVPRDQ-CYBMUJFWSA-N 0 3 290.367 2.149 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCNCC3)cc2)cn1 ZINC000600787974 346690631 /nfs/dbraw/zinc/69/06/31/346690631.db2.gz BCWOIKLOIPIXRV-UHFFFAOYSA-N 0 3 284.319 2.066 20 5 CEBDHN C[C@H](NC[C@@H]1CCc2ncnn21)c1cccc([N+](=O)[O-])c1 ZINC000602802040 347204902 /nfs/dbraw/zinc/20/49/02/347204902.db2.gz OLDDZYCZLJZUAU-GWCFXTLKSA-N 0 3 287.323 2.024 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cccc(O)c1 ZINC000602803782 347206002 /nfs/dbraw/zinc/20/60/02/347206002.db2.gz DMMQGKDIEXVUBQ-JTQLQIEISA-N 0 3 290.323 2.156 20 5 CEBDHN CC[C@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000602742449 347182127 /nfs/dbraw/zinc/18/21/27/347182127.db2.gz YZVVUOVWNXCCBH-AWEZNQCLSA-N 0 3 264.325 2.332 20 5 CEBDHN CC(C)CN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC000602761307 347187927 /nfs/dbraw/zinc/18/79/27/347187927.db2.gz GUKSUGZVAAJSFA-UHFFFAOYSA-N 0 3 268.361 2.442 20 5 CEBDHN CC[C@@H]1CCC[C@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602905391 347243308 /nfs/dbraw/zinc/24/33/08/347243308.db2.gz NRAKYULVSHDULP-CMPLNLGQSA-N 0 3 266.345 2.481 20 5 CEBDHN C[C@](CO)(NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000602962518 347258678 /nfs/dbraw/zinc/25/86/78/347258678.db2.gz LNZHFBHXIKHACH-CQSZACIVSA-N 0 3 264.325 2.192 20 5 CEBDHN CC[C@](C)(N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603186565 347303264 /nfs/dbraw/zinc/30/32/64/347303264.db2.gz SLOXJVWTBRNJRQ-YGRLFVJLSA-N 0 3 289.339 2.380 20 5 CEBDHN CC(C)[C@H](N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603220941 347313286 /nfs/dbraw/zinc/31/32/86/347313286.db2.gz XSCNVRISBZTMCQ-YGRLFVJLSA-N 0 3 289.339 2.451 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCC3)C2)s1 ZINC000608909448 347624048 /nfs/dbraw/zinc/62/40/48/347624048.db2.gz QOWIOFQSWLPEEA-JTQLQIEISA-N 0 3 267.354 2.331 20 5 CEBDHN CC(C)(C)CN(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000609316868 347633993 /nfs/dbraw/zinc/63/39/93/347633993.db2.gz BCUOQDCFNKWLAS-UHFFFAOYSA-N 0 3 266.341 2.435 20 5 CEBDHN CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611091744 347738564 /nfs/dbraw/zinc/73/85/64/347738564.db2.gz GMBBGESOPXYLRA-CYBMUJFWSA-N 0 3 277.368 2.163 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H](O)C1CC1 ZINC000611207262 347752153 /nfs/dbraw/zinc/75/21/53/347752153.db2.gz UTFYSCWGDZTCIW-IINYFYTJSA-N 0 3 264.325 2.359 20 5 CEBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000611222083 347753245 /nfs/dbraw/zinc/75/32/45/347753245.db2.gz ZCUFKNSQWIHMDA-QWRGUYRKSA-N 0 3 278.356 2.217 20 5 CEBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000611222084 347753343 /nfs/dbraw/zinc/75/33/43/347753343.db2.gz ZCUFKNSQWIHMDA-WDEREUQCSA-N 0 3 278.356 2.217 20 5 CEBDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336889111 365935840 /nfs/dbraw/zinc/93/58/40/365935840.db2.gz FWYHMUQCRNIMIM-QMTHXVAHSA-N 0 3 282.315 2.375 20 5 CEBDHN CC[C@@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087011382 179378909 /nfs/dbraw/zinc/37/89/09/179378909.db2.gz QXYKBWAEJGPLSD-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000618588316 348986973 /nfs/dbraw/zinc/98/69/73/348986973.db2.gz XXTSCUDGQRCMSL-JTQLQIEISA-N 0 3 289.339 2.002 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)Cc1ccccc1 ZINC000105493446 186061241 /nfs/dbraw/zinc/06/12/41/186061241.db2.gz ARTPDJKPVINYMI-HNNXBMFYSA-N 0 3 286.331 2.288 20 5 CEBDHN CC[C@@H](c1ccncc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000092225212 180346836 /nfs/dbraw/zinc/34/68/36/180346836.db2.gz YCNANRWNWCIUHV-ZDUSSCGKSA-N 0 3 289.339 2.269 20 5 CEBDHN CO[C@@]1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123236365 187079901 /nfs/dbraw/zinc/07/99/01/187079901.db2.gz KMHRWUSBEHDOBJ-SMDDNHRTSA-N 0 3 280.324 2.051 20 5 CEBDHN C[C@@H]1CC[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000123256684 187080780 /nfs/dbraw/zinc/08/07/80/187080780.db2.gz STJANSNMICGKQO-AOOOYVTPSA-N 0 3 277.324 2.067 20 5 CEBDHN C[C@H]1C[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000123684080 187104285 /nfs/dbraw/zinc/10/42/85/187104285.db2.gz CQWCCLYYAWPQAZ-WCQYABFASA-N 0 3 291.351 2.150 20 5 CEBDHN Cc1c(CN2CCC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000123883831 187113525 /nfs/dbraw/zinc/11/35/25/187113525.db2.gz POXBANQKOHYVHT-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN CC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292143079 198180196 /nfs/dbraw/zinc/18/01/96/198180196.db2.gz MSLCVOOTADOBJI-SNVBAGLBSA-N 0 3 252.314 2.190 20 5 CEBDHN CCNC(=O)C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000158490825 188379177 /nfs/dbraw/zinc/37/91/77/188379177.db2.gz XASXRKIOFGSYTF-NSHDSACASA-N 0 3 293.367 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](O)C23CCCC3)cc1 ZINC000292724981 198390324 /nfs/dbraw/zinc/39/03/24/198390324.db2.gz MGHAVIHYNWTHBB-CQSZACIVSA-N 0 3 276.336 2.474 20 5 CEBDHN C[C@H](O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553175 283032337 /nfs/dbraw/zinc/03/23/37/283032337.db2.gz XSFLUQPNQBVAEP-AAEUAGOBSA-N 0 3 264.325 2.155 20 5 CEBDHN Cc1nn(CCN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000575430784 366285404 /nfs/dbraw/zinc/28/54/04/366285404.db2.gz KBTIOUBMNWEART-GHMZBOCLSA-N 0 3 266.345 2.078 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216637 299245251 /nfs/dbraw/zinc/24/52/51/299245251.db2.gz SAVBJLDBPQKTDU-DGCLKSJQSA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1ccc(CNC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134701302 366352931 /nfs/dbraw/zinc/35/29/31/366352931.db2.gz HIJBXZFTZPGGPL-CYBMUJFWSA-N 0 3 252.314 2.010 20 5 CEBDHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428801 199036733 /nfs/dbraw/zinc/03/67/33/199036733.db2.gz URMGKHKYQXZCMA-BBBLOLIVSA-N 0 3 267.329 2.251 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](CN(C)C)C1 ZINC000338688086 366469722 /nfs/dbraw/zinc/46/97/22/366469722.db2.gz AAXPFXGRPBHLKH-LBPRGKRZSA-N 0 3 291.351 2.185 20 5 CEBDHN C[C@@H]1CCC[C@H](CO)N1CCOc1ccccc1[N+](=O)[O-] ZINC000136163740 366500196 /nfs/dbraw/zinc/50/01/96/366500196.db2.gz IZESVCBLGWLKNQ-CHWSQXEVSA-N 0 3 294.351 2.209 20 5 CEBDHN Cc1nc(NC[C@H]2CCCCN2C2CC2)ncc1[N+](=O)[O-] ZINC000296818925 200006864 /nfs/dbraw/zinc/00/68/64/200006864.db2.gz QRLNBODFICFEDE-GFCCVEGCSA-N 0 3 291.355 2.122 20 5 CEBDHN CN1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148504734 366582590 /nfs/dbraw/zinc/58/25/90/366582590.db2.gz RGFZNEQDUWXOMA-SECBINFHSA-N 0 3 284.747 2.397 20 5 CEBDHN Cc1nn(C)c(NC[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000339002146 366608903 /nfs/dbraw/zinc/60/89/03/366608903.db2.gz IDXPJBNBGZWVJE-GHMZBOCLSA-N 0 3 295.387 2.312 20 5 CEBDHN CCOC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081521839 363725321 /nfs/dbraw/zinc/72/53/21/363725321.db2.gz CBMVLYQOPBPEFD-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCOC1 ZINC000178352162 189109241 /nfs/dbraw/zinc/10/92/41/189109241.db2.gz HPQPYPBIQLMYRG-LBPRGKRZSA-N 0 3 294.351 2.462 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCOC1 ZINC000178358565 189109956 /nfs/dbraw/zinc/10/99/56/189109956.db2.gz YAHXMCDMLXWRSD-LLVKDONJSA-N 0 3 280.324 2.072 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000275057923 192896706 /nfs/dbraw/zinc/89/67/06/192896706.db2.gz NZOJMAATBUMUMO-QMTHXVAHSA-N 0 3 282.315 2.375 20 5 CEBDHN C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000342362422 216325457 /nfs/dbraw/zinc/32/54/57/216325457.db2.gz SZJDTFAGJCESNR-GWCFXTLKSA-N 0 3 292.339 2.199 20 5 CEBDHN C[C@H]1[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000342362423 216324499 /nfs/dbraw/zinc/32/44/99/216324499.db2.gz SZJDTFAGJCESNR-GXFFZTMASA-N 0 3 292.339 2.199 20 5 CEBDHN CS[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340204991 366803114 /nfs/dbraw/zinc/80/31/14/366803114.db2.gz RJVXRUCVYLZTKF-CHWSQXEVSA-N 0 3 281.381 2.077 20 5 CEBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000085635242 363836249 /nfs/dbraw/zinc/83/62/49/363836249.db2.gz FOSKLOPUSMGQPL-MJBXVCDLSA-N 0 3 276.336 2.498 20 5 CEBDHN Cc1noc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000089518807 363976414 /nfs/dbraw/zinc/97/64/14/363976414.db2.gz XWDUIVLLBUFORB-SECBINFHSA-N 0 3 276.296 2.180 20 5 CEBDHN CCOc1cc(NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000092623043 364089197 /nfs/dbraw/zinc/08/91/97/364089197.db2.gz BINFJVAINFJLLT-LBPRGKRZSA-N 0 3 279.340 2.500 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000094371412 364271310 /nfs/dbraw/zinc/27/13/10/364271310.db2.gz VOYKYMSEIRQPND-HIFRSBDPSA-N 0 3 292.335 2.023 20 5 CEBDHN C[C@@H](CCCO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000094943893 364310772 /nfs/dbraw/zinc/31/07/72/364310772.db2.gz IKCFLRMBQNPJIY-VIFPVBQESA-N 0 3 272.732 2.499 20 5 CEBDHN C[C@H](N[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112793724 364844963 /nfs/dbraw/zinc/84/49/63/364844963.db2.gz NLQOKHYBXLKJCI-JQWIXIFHSA-N 0 3 250.298 2.424 20 5 CEBDHN N[C@@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000582840231 366964764 /nfs/dbraw/zinc/96/47/64/366964764.db2.gz PQAKLYRLZCNBKF-CYBMUJFWSA-N 0 3 272.308 2.176 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCCC1 ZINC000161489586 367091083 /nfs/dbraw/zinc/09/10/83/367091083.db2.gz WFEFAJDAUSYPSF-UHFFFAOYSA-N 0 3 282.315 2.471 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000171377901 367531468 /nfs/dbraw/zinc/53/14/68/367531468.db2.gz BWFBAFVDZSDMNQ-CYBMUJFWSA-N 0 3 292.335 2.180 20 5 CEBDHN COC(=O)[C@H](C)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000171299001 367517501 /nfs/dbraw/zinc/51/75/01/367517501.db2.gz PDMDZPHCQWZVAP-LLVKDONJSA-N 0 3 292.335 2.368 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CO)C1 ZINC000183207354 368616742 /nfs/dbraw/zinc/61/67/42/368616742.db2.gz YDPAZFJSIHBNRS-LBPRGKRZSA-N 0 3 264.325 2.108 20 5 CEBDHN Cc1nc(NCCN2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348346893 369010965 /nfs/dbraw/zinc/01/09/65/369010965.db2.gz CSZOOLVCRACCRU-TXEJJXNPSA-N 0 3 292.383 2.395 20 5 CEBDHN CC(C)[C@H]1CN(C)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000348543027 369080549 /nfs/dbraw/zinc/08/05/49/369080549.db2.gz FCXKKBRMFLHYIR-OAHLLOKOSA-N 0 3 277.368 2.367 20 5 CEBDHN CO[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000348834865 369172878 /nfs/dbraw/zinc/17/28/78/369172878.db2.gz QZMTXNYTQOPPAM-LLVKDONJSA-N 0 3 252.314 2.370 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349386373 369317644 /nfs/dbraw/zinc/31/76/44/369317644.db2.gz SDYFLFVLYZJIAA-FZMZJTMJSA-N 0 3 264.325 2.106 20 5 CEBDHN CC(C)N(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000350077789 369499493 /nfs/dbraw/zinc/49/94/93/369499493.db2.gz LINCXLTUJZFWLB-ALCCZGGFSA-N 0 3 264.325 2.311 20 5 CEBDHN CCCCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350126240 369511292 /nfs/dbraw/zinc/51/12/92/369511292.db2.gz QIZZTZBTGRKOFO-UHFFFAOYSA-N 0 3 296.371 2.072 20 5 CEBDHN C[C@@H]1CC(O)C[C@H](C)N1CCOc1ccccc1[N+](=O)[O-] ZINC000191284771 369698275 /nfs/dbraw/zinc/69/82/75/369698275.db2.gz LETHTTKMEPVOJE-FUNVUKJBSA-N 0 3 294.351 2.207 20 5 CEBDHN C[C@@H](NCCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000276524254 193367323 /nfs/dbraw/zinc/36/73/23/193367323.db2.gz CMHOLGPGGIOVBP-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN CC1(CNC/C=C/c2ccccc2[N+](=O)[O-])OCCCO1 ZINC000192251089 369787039 /nfs/dbraw/zinc/78/70/39/369787039.db2.gz CEUJNINMGSLTNK-QPJJXVBHSA-N 0 3 292.335 2.351 20 5 CEBDHN Cc1cc(NC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000193605735 369961229 /nfs/dbraw/zinc/96/12/29/369961229.db2.gz MZJVXVQFKVQYLA-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CO)C(C)C ZINC000353091832 370014893 /nfs/dbraw/zinc/01/48/93/370014893.db2.gz IQJRFCXKPKMGON-AWEZNQCLSA-N 0 3 266.341 2.400 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CCN(C)CC1 ZINC000194802359 370075625 /nfs/dbraw/zinc/07/56/25/370075625.db2.gz RWDXEHGUQHYDIT-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(C2CC2)CC1 ZINC000195308454 370124159 /nfs/dbraw/zinc/12/41/59/370124159.db2.gz UXJNWETVRLUZRT-UHFFFAOYSA-N 0 3 289.335 2.408 20 5 CEBDHN CN1CCC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988499 370215406 /nfs/dbraw/zinc/21/54/06/370215406.db2.gz AYTAAHMLEJYUJT-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000354352933 370328392 /nfs/dbraw/zinc/32/83/92/370328392.db2.gz KCZIRUQLBMTKHL-NEPJUHHUSA-N 0 3 278.356 2.299 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCSC1 ZINC000226378615 370338886 /nfs/dbraw/zinc/33/88/86/370338886.db2.gz LRILKAHVWFTIGV-JTQLQIEISA-N 0 3 282.365 2.446 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@]1(C)CCO[C@@H]1C ZINC000234889284 370547156 /nfs/dbraw/zinc/54/71/56/370547156.db2.gz JYBJRLKIBFCKEN-QMTHXVAHSA-N 0 3 280.324 2.261 20 5 CEBDHN CC[C@H]1CCCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331690193 204077839 /nfs/dbraw/zinc/07/78/39/204077839.db2.gz WWYUIADKKNCKJC-NSHDSACASA-N 0 3 266.345 2.483 20 5 CEBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358785872 371219336 /nfs/dbraw/zinc/21/93/36/371219336.db2.gz ALJDKBOQLUAORI-JTQLQIEISA-N 0 3 276.296 2.048 20 5 CEBDHN CO[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000251508437 371404064 /nfs/dbraw/zinc/40/40/64/371404064.db2.gz BZQLIMIQRMIUQC-SWLSCSKDSA-N 0 3 278.352 2.494 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H](C)O ZINC000361045618 371617444 /nfs/dbraw/zinc/61/74/44/371617444.db2.gz YDYIWQZSBVTHIS-QWRGUYRKSA-N 0 3 282.340 2.243 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CCN(C)C1CC1 ZINC000361006845 371594454 /nfs/dbraw/zinc/59/44/54/371594454.db2.gz MEAZZUUCQAZGBL-UHFFFAOYSA-N 0 3 291.351 2.328 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@H](CO)CC2)cs1 ZINC000268301199 372091646 /nfs/dbraw/zinc/09/16/46/372091646.db2.gz YHIMSXSFOPYZPN-HOMQSWHASA-N 0 3 270.354 2.297 20 5 CEBDHN Cc1c([C@H](C)NCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000268921120 372287617 /nfs/dbraw/zinc/28/76/17/372287617.db2.gz WTDOAGQFGSWITL-KOLCDFICSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@@H](O)C[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775645 372562073 /nfs/dbraw/zinc/56/20/73/372562073.db2.gz DIPIRQVDAOQHRM-TZMCWYRMSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000345055343 217399481 /nfs/dbraw/zinc/39/94/81/217399481.db2.gz YQKGEWCTNXFIKS-DMDPSCGWSA-N 0 3 262.309 2.182 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]3COC[C@H]32)cc1 ZINC000370298761 373628035 /nfs/dbraw/zinc/62/80/35/373628035.db2.gz QHMHTBNPTANXFO-SWLSCSKDSA-N 0 3 292.335 2.084 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000274122345 373819034 /nfs/dbraw/zinc/81/90/34/373819034.db2.gz XEHFCCCRSHEDBS-WDEREUQCSA-N 0 3 280.324 2.272 20 5 CEBDHN COc1cccc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000276942080 374352656 /nfs/dbraw/zinc/35/26/56/374352656.db2.gz HFXGESYLRMSSKZ-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN Cc1ccc(N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000376487941 374707450 /nfs/dbraw/zinc/70/74/50/374707450.db2.gz ZIXKROWDRCJMFM-DOMZBBRYSA-N 0 3 275.352 2.434 20 5 CEBDHN CN(CCN(C)C1CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278521445 374829869 /nfs/dbraw/zinc/82/98/69/374829869.db2.gz SLAXPUSNYILGPD-UHFFFAOYSA-N 0 3 289.339 2.002 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000386246786 375255205 /nfs/dbraw/zinc/25/52/05/375255205.db2.gz IPZPCVZSBHGLSZ-OLZOCXBDSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1ccc([C@H](C)NCC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282311353 375454662 /nfs/dbraw/zinc/45/46/62/375454662.db2.gz MZNFXTGRUUFONX-PRWKNARSSA-N 0 3 296.392 2.465 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414535672 375841678 /nfs/dbraw/zinc/84/16/78/375841678.db2.gz WQKDHPJUEXPQBC-ZIAGYGMSSA-N 0 3 266.341 2.480 20 5 CEBDHN CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286587386 376005207 /nfs/dbraw/zinc/00/52/07/376005207.db2.gz QNSIFOZTVCGOMS-ZDUSSCGKSA-N 0 3 277.368 2.163 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000556958202 376527124 /nfs/dbraw/zinc/52/71/24/376527124.db2.gz FENDFGBAOAHLBN-ZDUSSCGKSA-N 0 3 263.341 2.121 20 5 CEBDHN Cc1nnc(CCNCc2cccc([N+](=O)[O-])c2)s1 ZINC000289883340 376543786 /nfs/dbraw/zinc/54/37/86/376543786.db2.gz PUNKCQITHNRGJH-UHFFFAOYSA-N 0 3 278.337 2.087 20 5 CEBDHN CO[C@H](C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289985355 376588416 /nfs/dbraw/zinc/58/84/16/376588416.db2.gz ZXZKRCGOSNPGNI-LLVKDONJSA-N 0 3 252.314 2.370 20 5 CEBDHN Cc1c(CN2CC[C@@H](O)C2(C)C)cccc1[N+](=O)[O-] ZINC000311802944 376687532 /nfs/dbraw/zinc/68/75/32/376687532.db2.gz BWIFCRROURCOFI-CYBMUJFWSA-N 0 3 264.325 2.248 20 5 CEBDHN CNC(=O)[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000330568202 377188384 /nfs/dbraw/zinc/18/83/84/377188384.db2.gz LQERCGQXUWHGKZ-CYZMBNFOSA-N 0 3 291.351 2.160 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000563421687 377218560 /nfs/dbraw/zinc/21/85/60/377218560.db2.gz PWSWGWOGUNYWHE-GHMZBOCLSA-N 0 3 279.340 2.498 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1C1(O)CC1 ZINC000563686618 377274878 /nfs/dbraw/zinc/27/48/78/377274878.db2.gz DREZQZXFMDQCLS-AWEZNQCLSA-N 0 3 276.336 2.474 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000293784947 377756216 /nfs/dbraw/zinc/75/62/16/377756216.db2.gz QGPJEDSARBBLEL-LBPRGKRZSA-N 0 3 250.298 2.252 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000443519185 378057701 /nfs/dbraw/zinc/05/77/01/378057701.db2.gz NXQKCCQVSKMWSU-VHSXEESVSA-N 0 3 284.385 2.360 20 5 CEBDHN Cc1nc(N[C@H]2CCN(C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450314724 378352062 /nfs/dbraw/zinc/35/20/62/378352062.db2.gz CMWOMYCVZBVHKP-NSHDSACASA-N 0 3 291.355 2.122 20 5 CEBDHN CS[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296080256 378412602 /nfs/dbraw/zinc/41/26/02/378412602.db2.gz CKRGUFMOEXGQMG-ZDUSSCGKSA-N 0 3 282.365 2.411 20 5 CEBDHN CC[C@H](C)N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000296149797 378434053 /nfs/dbraw/zinc/43/40/53/378434053.db2.gz XVDXKSVHNDNLRO-LBPRGKRZSA-N 0 3 278.356 2.219 20 5 CEBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000453175155 378822992 /nfs/dbraw/zinc/82/29/92/378822992.db2.gz LOMLZWQGQHIYRC-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN CON1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000453627373 378926445 /nfs/dbraw/zinc/92/64/45/378926445.db2.gz VLPOKEUOUNYFBM-UHFFFAOYSA-N 0 3 293.367 2.361 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@H](O)CC1 ZINC000513488220 379128320 /nfs/dbraw/zinc/12/83/20/379128320.db2.gz RAUSRQWJGHEHKH-MQMHXKEQSA-N 0 3 294.351 2.387 20 5 CEBDHN CCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301071435 379185698 /nfs/dbraw/zinc/18/56/98/379185698.db2.gz FNTXVNRJWFKYAR-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CCO[C@@H]1C ZINC000515031276 379176888 /nfs/dbraw/zinc/17/68/88/379176888.db2.gz GDIIIIGUFKCRRD-YWPYICTPSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1ccnc(N2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000301273034 379241891 /nfs/dbraw/zinc/24/18/91/379241891.db2.gz IDVYIJAPMDKMOM-UHFFFAOYSA-N 0 3 299.334 2.020 20 5 CEBDHN Cc1nn(C)c(N[C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301282076 379243950 /nfs/dbraw/zinc/24/39/50/379243950.db2.gz MYQJDRAVKPVLIO-MNOVXSKESA-N 0 3 295.387 2.169 20 5 CEBDHN Cc1cc(NC[C@]2(N(C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000267084578 190302404 /nfs/dbraw/zinc/30/24/04/190302404.db2.gz LBSRCAZPCMXRKH-CYBMUJFWSA-N 0 3 296.396 2.147 20 5 CEBDHN Cc1ccnc(NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267032407 190298318 /nfs/dbraw/zinc/29/83/18/190298318.db2.gz BGQNJPMSSAWREK-CYBMUJFWSA-N 0 3 296.396 2.147 20 5 CEBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489872523 380218004 /nfs/dbraw/zinc/21/80/04/380218004.db2.gz FTSVWHRWTIQWSC-UHFFFAOYSA-N 0 3 291.351 2.458 20 5 CEBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279086344 194278115 /nfs/dbraw/zinc/27/81/15/194278115.db2.gz ORUOTVPOCZMUMS-UKRRQHHQSA-N 0 3 294.351 2.187 20 5 CEBDHN CCOc1cc(CN2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000492814659 380698278 /nfs/dbraw/zinc/69/82/78/380698278.db2.gz BHZZYUBVUYBRIS-CYBMUJFWSA-N 0 3 294.351 2.340 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000580718376 322338634 /nfs/dbraw/zinc/33/86/34/322338634.db2.gz UYKIFYMWLWOXOL-YPMHNXCESA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000072089523 285130281 /nfs/dbraw/zinc/13/02/81/285130281.db2.gz QGAIZUXMLLIKIJ-LBPRGKRZSA-N 0 3 279.315 2.408 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCN(C4CC4)C3)nc2c1 ZINC000094771846 285141432 /nfs/dbraw/zinc/14/14/32/285141432.db2.gz AJMMPXYKUAVMKI-VIFPVBQESA-N 0 3 287.323 2.120 20 5 CEBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN3CCCC[C@H]23)s1 ZINC000282286453 285182440 /nfs/dbraw/zinc/18/24/40/285182440.db2.gz VZSNNWJAUVNOMI-DTWKUNHWSA-N 0 3 268.342 2.090 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCOCC(F)F ZINC000190889421 130157267 /nfs/dbraw/zinc/15/72/67/130157267.db2.gz MGAUBXNCFFMXIC-HWKANZROSA-N 0 3 286.278 2.479 20 5 CEBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CC3)CC2)c(F)c1 ZINC000413045301 394473204 /nfs/dbraw/zinc/47/32/04/394473204.db2.gz QFGSXGRVECDSOE-UHFFFAOYSA-N 0 3 280.303 2.168 20 5 CEBDHN Cc1ccc(CN2C[C@H](C)C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000421364414 394511320 /nfs/dbraw/zinc/51/13/20/394511320.db2.gz RZCGPXROGKXLFR-BXUZGUMPSA-N 0 3 278.352 2.354 20 5 CEBDHN CC[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000413824554 394645655 /nfs/dbraw/zinc/64/56/55/394645655.db2.gz CYZJOWOUWKPINP-GFCCVEGCSA-N 0 3 293.367 2.286 20 5 CEBDHN CC(C)[C@H](CCO)NCc1c(F)cccc1[N+](=O)[O-] ZINC000358794403 394729651 /nfs/dbraw/zinc/72/96/51/394729651.db2.gz ZKUXXTCIZKNFPU-LBPRGKRZSA-N 0 3 270.304 2.231 20 5 CEBDHN C[C@H]1CCC[C@@H](CO)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729988 394722436 /nfs/dbraw/zinc/72/24/36/394722436.db2.gz XMMMYLUMMSJDNP-FZMZJTMJSA-N 0 3 264.325 2.330 20 5 CEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000274411373 394796168 /nfs/dbraw/zinc/79/61/68/394796168.db2.gz AFXKNBRUFGECRN-UHFFFAOYSA-N 0 3 267.304 2.264 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CNCCC1(F)F ZINC000414995485 394841758 /nfs/dbraw/zinc/84/17/58/394841758.db2.gz FQCRRWQLTLXXMF-DXTPNHAXSA-N 0 3 297.305 2.195 20 5 CEBDHN CN1CC[C@]2(CCN(c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000368305445 394983679 /nfs/dbraw/zinc/98/36/79/394983679.db2.gz VSAAJLYQYUGZPU-AWEZNQCLSA-N 0 3 279.315 2.266 20 5 CEBDHN CC[C@H](C)[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846725 395001354 /nfs/dbraw/zinc/00/13/54/395001354.db2.gz NXOSBMQCMDHBKZ-QPUJVOFHSA-N 0 3 299.758 2.238 20 5 CEBDHN COc1cc(CN[C@@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000494207157 395099653 /nfs/dbraw/zinc/09/96/53/395099653.db2.gz BMDJKGMQFUPOTK-HZMBPMFUSA-N 0 3 280.324 2.261 20 5 CEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000397848835 395226913 /nfs/dbraw/zinc/22/69/13/395226913.db2.gz GGIHYYXOFFNUQW-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]3OCCC[C@H]23)c(F)c1 ZINC000438908357 395236222 /nfs/dbraw/zinc/23/62/22/395236222.db2.gz UTUYZXNQMKOZBQ-MRVWCRGKSA-N 0 3 280.299 2.391 20 5 CEBDHN Cc1ccc(CNCCc2ccccc2[N+](=O)[O-])nn1 ZINC000396634362 395217202 /nfs/dbraw/zinc/21/72/02/395217202.db2.gz NBNVJXOOAIGWOS-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CCN(C)C[C@H]32)n1 ZINC000408172666 395292803 /nfs/dbraw/zinc/29/28/03/395292803.db2.gz ZCDPSGSYAVUSRD-CHWSQXEVSA-N 0 3 290.367 2.137 20 5 CEBDHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000401935544 395266413 /nfs/dbraw/zinc/26/64/13/395266413.db2.gz BORGGFCDMOTAHP-SCVCMEIPSA-N 0 3 250.298 2.423 20 5 CEBDHN COc1cc(N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420641635 395398984 /nfs/dbraw/zinc/39/89/84/395398984.db2.gz UUENZHMHOAQRLK-GFCCVEGCSA-N 0 3 279.340 2.134 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)c1 ZINC000420629440 395393341 /nfs/dbraw/zinc/39/33/41/395393341.db2.gz CFPKZUQGUGAZBM-NSHDSACASA-N 0 3 279.340 2.134 20 5 CEBDHN COCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451572605 395623189 /nfs/dbraw/zinc/62/31/89/395623189.db2.gz QRAWRMLTDFROAS-ZDUSSCGKSA-N 0 3 264.325 2.421 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](CN3CCCCC3)C2)s1 ZINC000192466855 153207901 /nfs/dbraw/zinc/20/79/01/153207901.db2.gz QSNVKUMPVLIRTF-NSHDSACASA-N 0 3 296.396 2.364 20 5 CEBDHN CO[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000227829866 153350108 /nfs/dbraw/zinc/35/01/08/153350108.db2.gz KDOYXAHLIVMFCR-CHWSQXEVSA-N 0 3 264.325 2.498 20 5 CEBDHN COC1CC(N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000230676092 153397815 /nfs/dbraw/zinc/39/78/15/153397815.db2.gz AGEFXMPUNXQSCE-WHXUTIOJSA-N 0 3 250.298 2.423 20 5 CEBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC12CCC2 ZINC000367478269 156193893 /nfs/dbraw/zinc/19/38/93/156193893.db2.gz BIGFHYDAQUBJGW-GFCCVEGCSA-N 0 3 278.356 2.303 20 5 CEBDHN COCC1(NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541755160 298284773 /nfs/dbraw/zinc/28/47/73/298284773.db2.gz JBSOUNKMHRSYAT-UHFFFAOYSA-N 0 3 250.298 2.172 20 5 CEBDHN C[C@H](CN(C)C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168605206 162365442 /nfs/dbraw/zinc/36/54/42/162365442.db2.gz XDTKJDKBAVFHOH-MNOVXSKESA-N 0 3 251.330 2.196 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000174876269 165118582 /nfs/dbraw/zinc/11/85/82/165118582.db2.gz ORISGIALUAEXIS-YPMHNXCESA-N 0 3 264.329 2.056 20 5 CEBDHN CCC[C@@H](N[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602246 172290826 /nfs/dbraw/zinc/29/08/26/172290826.db2.gz KPGHISIHKSJWQS-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@@H]1COCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000285471927 196295061 /nfs/dbraw/zinc/29/50/61/196295061.db2.gz KOGNKYSBLSVCIA-MWLCHTKSSA-N 0 3 270.354 2.419 20 5 CEBDHN C[C@@H](N[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000040672680 174370633 /nfs/dbraw/zinc/37/06/33/174370633.db2.gz QEABEDVAOVTKEP-DGCLKSJQSA-N 0 3 263.341 2.340 20 5 CEBDHN COc1ccc(CN[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000045134151 175312168 /nfs/dbraw/zinc/31/21/68/175312168.db2.gz FGXHQGNNIACUPY-LBPRGKRZSA-N 0 3 250.298 2.492 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072537486 176410976 /nfs/dbraw/zinc/41/09/76/176410976.db2.gz MCPOUWMYHZOKMW-CYBMUJFWSA-N 0 3 292.339 2.201 20 5 CEBDHN C[C@@H](N[C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427873954 260869421 /nfs/dbraw/zinc/86/94/21/260869421.db2.gz MCGAOYCOIRLPFX-DGCLKSJQSA-N 0 3 286.335 2.457 20 5 CEBDHN CC1(C)C[C@@H](NCc2ccccc2[N+](=O)[O-])CO1 ZINC000396948756 270350774 /nfs/dbraw/zinc/35/07/74/270350774.db2.gz XSIAYRPFQAFYIV-LLVKDONJSA-N 0 3 250.298 2.252 20 5 CEBDHN CC[C@](C)(CNCc1cccc([N+](=O)[O-])c1)OC ZINC000322544179 270335108 /nfs/dbraw/zinc/33/51/08/270335108.db2.gz UDUHDCJLINMKKC-CYBMUJFWSA-N 0 3 252.314 2.500 20 5 CEBDHN C[C@H]1C[C@H](CO)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000398642029 270360215 /nfs/dbraw/zinc/36/02/15/270360215.db2.gz XQFTYMOTDVDVQM-RYUDHWBXSA-N 0 3 264.325 2.045 20 5 CEBDHN Cc1c(CN2C[C@@H](C)C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000398885804 270363696 /nfs/dbraw/zinc/36/36/96/270363696.db2.gz BXLRHLCMGIGSJQ-AAEUAGOBSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1ccc(CN[C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428648650 271284167 /nfs/dbraw/zinc/28/41/67/271284167.db2.gz JLVUSYTVWZICBV-JTQLQIEISA-N 0 3 274.267 2.009 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CC1CC1 ZINC000430210660 271363263 /nfs/dbraw/zinc/36/32/63/271363263.db2.gz UVLQHDXVXGKHLB-UHFFFAOYSA-N 0 3 250.298 2.445 20 5 CEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1N(C)C ZINC000271284847 274186764 /nfs/dbraw/zinc/18/67/64/274186764.db2.gz CYRVOVUGOOMFDL-KBPBESRZSA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000158445073 274395121 /nfs/dbraw/zinc/39/51/21/274395121.db2.gz AJDUYWNMGKAHSW-ZJUUUORDSA-N 0 3 289.339 2.366 20 5 CEBDHN CC(=O)N1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000037138380 275448453 /nfs/dbraw/zinc/44/84/53/275448453.db2.gz NCZRMAVOOIPYIY-LLVKDONJSA-N 0 3 291.351 2.256 20 5 CEBDHN CN1CC[C@]2(CCN(c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000292374033 277186398 /nfs/dbraw/zinc/18/63/98/277186398.db2.gz SGKCEJKAHNDHKT-AWEZNQCLSA-N 0 3 279.315 2.266 20 5 CEBDHN C[C@@H](N[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963615 277632787 /nfs/dbraw/zinc/63/27/87/277632787.db2.gz JUYDPKFPMAIZOC-MNOVXSKESA-N 0 3 250.298 2.424 20 5 CEBDHN Cc1noc(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000113711454 279736945 /nfs/dbraw/zinc/73/69/45/279736945.db2.gz RYNXHJCGTVTEOS-UHFFFAOYSA-N 0 3 291.307 2.368 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H]1O)CCC2 ZINC000424325942 281148912 /nfs/dbraw/zinc/14/89/12/281148912.db2.gz LIMXUKVDYLCJLU-BFHYXJOUSA-N 0 3 262.309 2.085 20 5 CEBDHN CC[C@@H]1OCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000459778002 290236710 /nfs/dbraw/zinc/23/67/10/290236710.db2.gz OVXPINPYDSNACX-YPMHNXCESA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H]1C[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283420 290387366 /nfs/dbraw/zinc/38/73/66/290387366.db2.gz KCKQXFRSHVPUJF-QWHCGFSZSA-N 0 3 275.352 2.373 20 5 CEBDHN COCC1(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000539649690 298251161 /nfs/dbraw/zinc/25/11/61/298251161.db2.gz FIKWZTNCLMCRST-SNVBAGLBSA-N 0 3 250.298 2.424 20 5 CEBDHN CCOc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138501 314555088 /nfs/dbraw/zinc/55/50/88/314555088.db2.gz SMTABLUKZHPGIA-ZIAGYGMSSA-N 0 3 294.351 2.243 20 5 CEBDHN CSCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000151162176 525496640 /nfs/dbraw/zinc/49/66/40/525496640.db2.gz SGIXYPNVUHHEEM-UHFFFAOYSA-N 0 3 254.355 2.432 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCCCC1 ZINC000052812761 525576529 /nfs/dbraw/zinc/57/65/29/525576529.db2.gz RREZKLIRBDUFFF-UHFFFAOYSA-N 0 3 264.329 2.196 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCOC1 ZINC000050443612 527332375 /nfs/dbraw/zinc/33/23/75/527332375.db2.gz JSZYJPYXIBFDNY-VIFPVBQESA-N 0 3 270.716 2.374 20 5 CEBDHN CCN(CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000357256804 528477782 /nfs/dbraw/zinc/47/77/82/528477782.db2.gz ATEGVNZIHUZLTF-UHFFFAOYSA-N 0 3 291.355 2.035 20 5 CEBDHN C[C@@H]1CSCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838279 574516697 /nfs/dbraw/zinc/51/66/97/574516697.db2.gz SEORQKCUECAUTK-SMDDNHRTSA-N 0 3 296.392 2.313 20 5 CEBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500468 574596990 /nfs/dbraw/zinc/59/69/90/574596990.db2.gz HDMAIQOMHHPBPF-CYBMUJFWSA-N 0 3 297.330 2.050 20 5 CEBDHN CO[C@@H](C)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083632 575246228 /nfs/dbraw/zinc/24/62/28/575246228.db2.gz WLJXAMWAYSVECN-WFASDCNBSA-N 0 3 296.367 2.374 20 5 CEBDHN CCOc1cc(CN[C@@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000932492235 622896937 /nfs/dbraw/zinc/89/69/37/622896937.db2.gz PFEYKSUSHKYDTA-ZYHUDNBSSA-N 0 3 280.324 2.118 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCc2sccc21)[N+](=O)[O-] ZINC000813106681 623025668 /nfs/dbraw/zinc/02/56/68/623025668.db2.gz GFSGCOKRBXGQMY-WCBMZHEXSA-N 0 3 269.322 2.376 20 5 CEBDHN CN1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892665312 627367628 /nfs/dbraw/zinc/36/76/28/627367628.db2.gz LFCFCYSLVZRYOS-LBPRGKRZSA-N 0 3 283.759 2.432 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC2CCC2)c1[N+](=O)[O-] ZINC000892714276 627706821 /nfs/dbraw/zinc/70/68/21/627706821.db2.gz LDPQIRROMKELMW-UHFFFAOYSA-N 0 3 266.297 2.199 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000893043758 627964562 /nfs/dbraw/zinc/96/45/62/627964562.db2.gz CJMSQLQZFPGFSJ-QMMMGPOBSA-N 0 3 287.262 2.451 20 5 CEBDHN Cc1cc(N2CCN(C)[C@H](C(C)(C)C)C2)ncc1[N+](=O)[O-] ZINC000895100662 629896245 /nfs/dbraw/zinc/89/62/45/629896245.db2.gz DQJADSVFWQWVQA-ZDUSSCGKSA-N 0 3 292.383 2.465 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000895125046 629928652 /nfs/dbraw/zinc/92/86/52/629928652.db2.gz OFIPJWRHJZFRRQ-SCZZXKLOSA-N 0 3 298.364 2.293 20 5 CEBDHN COc1c(O)ccc(CN[C@H]2CCS[C@@H]2C)c1[N+](=O)[O-] ZINC000895125046 629928656 /nfs/dbraw/zinc/92/86/56/629928656.db2.gz OFIPJWRHJZFRRQ-SCZZXKLOSA-N 0 3 298.364 2.293 20 5 CEBDHN CC(C)O[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000797281998 630202176 /nfs/dbraw/zinc/20/21/76/630202176.db2.gz RVZWWMGSFPHOOQ-AAEUAGOBSA-N 0 3 281.308 2.361 20 5 CEBDHN C[C@H](NCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927083459 632451288 /nfs/dbraw/zinc/45/12/88/632451288.db2.gz GWMHJXOHKRTACP-SMDDNHRTSA-N 0 3 280.324 2.051 20 5 CEBDHN CC(COC(=O)C1(c2ccc(F)cc2)CCC1)[N+](=O)[O-] ZINC000813099714 632619956 /nfs/dbraw/zinc/61/99/56/632619956.db2.gz AXXCSJWICJVFSY-SNVBAGLBSA-N 0 3 281.283 2.456 20 5 CEBDHN CC(COC(=O)C1C2CC3CC(C2)CC1C3)[N+](=O)[O-] ZINC000813100567 632620992 /nfs/dbraw/zinc/62/09/92/632620992.db2.gz UMKFBZWYXQCTLQ-GLFGPFBSSA-N 0 3 267.325 2.267 20 5 CEBDHN CCN(CC)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813103527 632622045 /nfs/dbraw/zinc/62/20/45/632622045.db2.gz CYFVOKQUMMKIMA-JSGCOSHPSA-N 0 3 294.351 2.278 20 5 CEBDHN CC(COC(=O)C[C@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813102270 632622073 /nfs/dbraw/zinc/62/20/73/632622073.db2.gz CZXZKAWGRZPTEL-NEPJUHHUSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)CCc1cc(F)ccc1F)[N+](=O)[O-] ZINC000813101946 632622134 /nfs/dbraw/zinc/62/21/34/632622134.db2.gz LRIBMXVLSORHRZ-QMMMGPOBSA-N 0 3 273.235 2.106 20 5 CEBDHN COc1cccc(/C(C)=C/C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104494 632622778 /nfs/dbraw/zinc/62/27/78/632622778.db2.gz NHOAVKMULPXIBQ-HUYFXPKMSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)CSc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813104185 632622886 /nfs/dbraw/zinc/62/28/86/632622886.db2.gz XQTKPLANDTVGOQ-SSDOTTSWSA-N 0 3 291.275 2.265 20 5 CEBDHN CC(COC(=O)Cc1ccc(Cl)c(F)c1)[N+](=O)[O-] ZINC000813105472 632623895 /nfs/dbraw/zinc/62/38/95/632623895.db2.gz MQMQCHBWIOXITE-ZETCQYMHSA-N 0 3 275.663 2.230 20 5 CEBDHN Cc1ccc2c(CC(=O)OCC(C)[N+](=O)[O-])c[nH]c2c1 ZINC000813105093 632623982 /nfs/dbraw/zinc/62/39/82/632623982.db2.gz VNCABXOVDKAMTK-SNVBAGLBSA-N 0 3 276.292 2.227 20 5 CEBDHN COc1ccc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106892 632624442 /nfs/dbraw/zinc/62/44/42/632624442.db2.gz HILIAFURPGGMSD-ZETCQYMHSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)c1cc2[nH]ccc2s1)[N+](=O)[O-] ZINC000813107790 632624651 /nfs/dbraw/zinc/62/46/51/632624651.db2.gz WFABGKPASLBMCQ-ZCFIWIBFSA-N 0 3 254.267 2.051 20 5 CEBDHN CC(COC(=O)[C@@]1(C)CCc2ccccc2C1)[N+](=O)[O-] ZINC000813107570 632624693 /nfs/dbraw/zinc/62/46/93/632624693.db2.gz TZYFRZOEESIJPN-NHYWBVRUSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)C1(c2cccc(F)c2)CCC1)[N+](=O)[O-] ZINC000813109721 632626423 /nfs/dbraw/zinc/62/64/23/632626423.db2.gz OHEAKELNELAYFJ-SNVBAGLBSA-N 0 3 281.283 2.456 20 5 CEBDHN Cc1cccc(CCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112574 632627141 /nfs/dbraw/zinc/62/71/41/632627141.db2.gz IQRYRVFEBUUUFR-LLVKDONJSA-N 0 3 251.282 2.136 20 5 CEBDHN COc1ccccc1CC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112455 632627288 /nfs/dbraw/zinc/62/72/88/632627288.db2.gz HHVJXYNLEYORJI-NSHDSACASA-N 0 3 295.335 2.472 20 5 CEBDHN CC(C)Oc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813113903 632628675 /nfs/dbraw/zinc/62/86/75/632628675.db2.gz KNDOTXVDJZFQQW-LLVKDONJSA-N 0 3 281.308 2.225 20 5 CEBDHN COc1c(C)cc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813115195 632629372 /nfs/dbraw/zinc/62/93/72/632629372.db2.gz MOUVETLTXIDKSF-JTQLQIEISA-N 0 3 267.281 2.134 20 5 CEBDHN Cc1c(CNC[C@@H](O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000819259034 634120099 /nfs/dbraw/zinc/12/00/99/634120099.db2.gz DQFYJVHVQJUMQH-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC000822807888 635000192 /nfs/dbraw/zinc/00/01/92/635000192.db2.gz JWAOLUUVCSBHEQ-FXAINCCUSA-N 0 3 286.291 2.376 20 5 CEBDHN Cc1c(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cccc1[N+](=O)[O-] ZINC000823269185 635119276 /nfs/dbraw/zinc/11/92/76/635119276.db2.gz DPPUNQGBVYHYPG-IEBDPFPHSA-N 0 3 286.291 2.376 20 5 CEBDHN CC[C@H](CNCC[N+](=O)[O-])Oc1cccc(C)c1 ZINC000905155671 635831973 /nfs/dbraw/zinc/83/19/73/635831973.db2.gz QHOXTJBSLLZUEX-GFCCVEGCSA-N 0 3 252.314 2.019 20 5 CEBDHN CCOc1ccc(Cl)cc1CCNCC[N+](=O)[O-] ZINC000905189419 635858394 /nfs/dbraw/zinc/85/83/94/635858394.db2.gz SPCPWSJIDWMMFV-UHFFFAOYSA-N 0 3 272.732 2.148 20 5 CEBDHN C[C@H](O)C1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000827585880 636358976 /nfs/dbraw/zinc/35/89/76/636358976.db2.gz QWPWPNUXSVDEMP-QMMMGPOBSA-N 0 3 270.716 2.251 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCCN3)nc2)cc1 ZINC000906173157 636635264 /nfs/dbraw/zinc/63/52/64/636635264.db2.gz ZYPPUROSIFPVGE-ZDUSSCGKSA-N 0 3 270.292 2.476 20 5 CEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C2CC2)n1 ZINC000835457020 638263762 /nfs/dbraw/zinc/26/37/62/638263762.db2.gz WAKDBHWGCNAUGW-VIFPVBQESA-N 0 3 264.281 2.089 20 5 CEBDHN COc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000842363396 640029336 /nfs/dbraw/zinc/02/93/36/640029336.db2.gz HNDIWWNTNQOISI-ZMLRMANQSA-N 0 3 279.292 2.007 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@]1(F)c1ccccc1)[N+](=O)[O-] ZINC000842364415 640030120 /nfs/dbraw/zinc/03/01/20/640030120.db2.gz WMYDYTAJUDKSGJ-XWIASGKRSA-N 0 3 267.256 2.080 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCC[C@@H]1C1CC1)[N+](=O)[O-] ZINC000842801517 640187610 /nfs/dbraw/zinc/18/76/10/640187610.db2.gz JNVNEJIKGHLBRO-YUSALJHKSA-N 0 3 255.314 2.411 20 5 CEBDHN COC(=O)N(C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000850551970 642751466 /nfs/dbraw/zinc/75/14/66/642751466.db2.gz ZOIONBCZYJSXQL-LLVKDONJSA-N 0 3 295.339 2.252 20 5 CEBDHN COc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1Cl ZINC000851035772 642888418 /nfs/dbraw/zinc/88/84/18/642888418.db2.gz APBLZPLKJYRIHZ-QMMMGPOBSA-N 0 3 287.699 2.100 20 5 CEBDHN CC(COC(=O)CC[C@@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000851037202 642890045 /nfs/dbraw/zinc/89/00/45/642890045.db2.gz SGPYFRDITDZEDN-RNFRBKRXSA-N 0 3 270.112 2.169 20 5 CEBDHN Cn1cc(CNCCc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000856772263 644718640 /nfs/dbraw/zinc/71/86/40/644718640.db2.gz QXCNEAMXQDRYOR-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccns1 ZINC000860059220 645686625 /nfs/dbraw/zinc/68/66/25/645686625.db2.gz WYQYNEYKKKXNFB-BXKDBHETSA-N 0 3 293.348 2.436 20 5 CEBDHN CC(COC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)[N+](=O)[O-] ZINC000860776704 645902888 /nfs/dbraw/zinc/90/28/88/645902888.db2.gz HGIFRBRENQXEAQ-PDTKXNIZSA-N 0 3 295.722 2.434 20 5 CEBDHN NC(=O)CC1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000789553558 648316428 /nfs/dbraw/zinc/31/64/28/648316428.db2.gz BQAWVHQJRYCMBH-UHFFFAOYSA-N 0 3 297.742 2.136 20 5 CEBDHN COc1cccc(C(C)(C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870378863 648790686 /nfs/dbraw/zinc/79/06/86/648790686.db2.gz YWUKYLVSBFZEGT-SNVBAGLBSA-N 0 3 281.308 2.181 20 5 CEBDHN CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CCC1(C)C ZINC000871152576 649013307 /nfs/dbraw/zinc/01/33/07/649013307.db2.gz ISACCYACMSMVRL-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129830 649287732 /nfs/dbraw/zinc/28/77/32/649287732.db2.gz WXWCXTRZODJRRM-VCDKRKBESA-N 0 3 292.335 2.443 20 5 CEBDHN CON(C)CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000883172695 652389101 /nfs/dbraw/zinc/38/91/01/652389101.db2.gz PSVGKXKIYXVUGS-UHFFFAOYSA-N 0 3 281.356 2.301 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN1CC ZINC000883360839 652443341 /nfs/dbraw/zinc/44/33/41/652443341.db2.gz MSNTVQRPZIQCDN-CQSZACIVSA-N 0 3 293.367 2.177 20 5 CEBDHN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000712556466 814766909 /nfs/dbraw/zinc/76/69/09/814766909.db2.gz KASYBDPRHQAFHK-JTQLQIEISA-N 0 3 272.308 2.259 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC001168959142 811314829 /nfs/dbraw/zinc/31/48/29/811314829.db2.gz UADSLITXLUIWHO-QWRGUYRKSA-N 0 3 275.308 2.363 20 5 CEBDHN C[C@H](N)c1ccn(-c2cc3cccnc3c([N+](=O)[O-])c2)n1 ZINC001169233267 811448269 /nfs/dbraw/zinc/44/82/69/811448269.db2.gz PQVSHEFEIKZPCA-VIFPVBQESA-N 0 3 283.291 2.348 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CC[C@@H](C1)C2=O ZINC001173233721 815632534 /nfs/dbraw/zinc/63/25/34/815632534.db2.gz MOUYFFHLZRDEBY-BNOWGMLFSA-N 0 3 288.347 2.437 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1C[C@@H](CO)C1 ZINC000601292567 346813560 /nfs/dbraw/zinc/81/35/60/346813560.db2.gz YMWICZQIUKRQRM-UTUOFQBUSA-N 0 3 264.325 2.325 20 5 CEBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000038088008 361985633 /nfs/dbraw/zinc/98/56/33/361985633.db2.gz VHHGNAARLDMTHE-SECBINFHSA-N 0 3 271.748 2.288 20 5 CEBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000080684717 344020480 /nfs/dbraw/zinc/02/04/80/344020480.db2.gz RYCUTDPWPMKSTO-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN COC(=O)[C@@H]1CCCC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000449507777 282263366 /nfs/dbraw/zinc/26/33/66/282263366.db2.gz GAKFYZYBGACGOW-MNOVXSKESA-N 0 3 298.364 2.478 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC[C@H]1CCCO1 ZINC000038095845 343433745 /nfs/dbraw/zinc/43/37/45/343433745.db2.gz KACUZJCLTPBFOD-GFCCVEGCSA-N 0 3 250.298 2.254 20 5 CEBDHN CC(=O)c1cc(N2CCN3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000228261336 136389522 /nfs/dbraw/zinc/38/95/22/136389522.db2.gz FWRXTIYLUCSSLM-CYBMUJFWSA-N 0 3 289.335 2.082 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCN(CC3CC3)CC2)c1 ZINC000048775709 343532373 /nfs/dbraw/zinc/53/23/73/343532373.db2.gz FFDKYFGBZXBJOR-UHFFFAOYSA-N 0 3 275.352 2.122 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000057159548 343625976 /nfs/dbraw/zinc/62/59/76/343625976.db2.gz HDHNEZMMXIUYFO-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CCOC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000060483869 343659121 /nfs/dbraw/zinc/65/91/21/343659121.db2.gz DUYUFMOYDREFLY-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075604519 343858848 /nfs/dbraw/zinc/85/88/48/343858848.db2.gz XWWICZMPJNRHNC-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN Cc1cnc(N(C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000078664038 343960367 /nfs/dbraw/zinc/96/03/67/343960367.db2.gz BFRSBEONRLJVIA-GFCCVEGCSA-N 0 3 278.356 2.076 20 5 CEBDHN C[C@H](NCC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000122004074 344305003 /nfs/dbraw/zinc/30/50/03/344305003.db2.gz MJJZGCOTNGEIBV-JTQLQIEISA-N 0 3 252.314 2.264 20 5 CEBDHN CN1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049963340 362388081 /nfs/dbraw/zinc/38/80/81/362388081.db2.gz DDVSHHBUJWSSDQ-UHFFFAOYSA-N 0 3 283.759 2.432 20 5 CEBDHN Cc1cc(N[C@@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000220211626 344538021 /nfs/dbraw/zinc/53/80/21/344538021.db2.gz XDIGRNZRKQEPCB-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1cnc(N[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000227535218 344553829 /nfs/dbraw/zinc/55/38/29/344553829.db2.gz GPPSUXDGOQVRIU-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN CN1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000227865160 344557010 /nfs/dbraw/zinc/55/70/10/344557010.db2.gz QKSDEZKFBQLHJK-LLVKDONJSA-N 0 3 287.323 2.044 20 5 CEBDHN Cc1c(CNC[C@H](O)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000307950164 344725795 /nfs/dbraw/zinc/72/57/95/344725795.db2.gz RXNZIHFBUHUFFB-SNVBAGLBSA-N 0 3 292.257 2.306 20 5 CEBDHN CC(C)[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313842009 344743389 /nfs/dbraw/zinc/74/33/89/344743389.db2.gz QJIXCZATBBAXPC-CYBMUJFWSA-N 0 3 293.302 2.030 20 5 CEBDHN CCCN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000328457190 344755216 /nfs/dbraw/zinc/75/52/16/344755216.db2.gz FTVDZCCIZPLLSB-CYBMUJFWSA-N 0 3 263.341 2.169 20 5 CEBDHN CCCN1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000328457191 344755232 /nfs/dbraw/zinc/75/52/32/344755232.db2.gz FTVDZCCIZPLLSB-ZDUSSCGKSA-N 0 3 263.341 2.169 20 5 CEBDHN C[C@@H]1CC[C@@H]1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000586783891 345021837 /nfs/dbraw/zinc/02/18/37/345021837.db2.gz HCGWVRPVJZABPA-KOLCDFICSA-N 0 3 278.308 2.254 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCNC1=O ZINC000591243841 345233860 /nfs/dbraw/zinc/23/38/60/345233860.db2.gz BSMCEZPKYDTASC-NWDGAFQWSA-N 0 3 291.351 2.080 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972258 345208628 /nfs/dbraw/zinc/20/86/28/345208628.db2.gz ASNNUYAGZWADLQ-HIFRSBDPSA-N 0 3 276.336 2.248 20 5 CEBDHN Cc1c(NC(=O)[C@@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000591672929 345273133 /nfs/dbraw/zinc/27/31/33/345273133.db2.gz WPQHSZFOYHUUKX-VIFPVBQESA-N 0 3 299.277 2.087 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591673125 345273174 /nfs/dbraw/zinc/27/31/74/345273174.db2.gz OOUWOWHMEGJGQW-GWCFXTLKSA-N 0 3 291.351 2.078 20 5 CEBDHN CC[C@@H](C)C[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374396 345347302 /nfs/dbraw/zinc/34/73/02/345347302.db2.gz DTJSUWNEFWYGCG-YPMHNXCESA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CO)CCF)CCC2 ZINC000593718698 345526524 /nfs/dbraw/zinc/52/65/24/345526524.db2.gz PCNHBTMGSKZQES-RISCZKNCSA-N 0 3 282.315 2.282 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000594599264 345656472 /nfs/dbraw/zinc/65/64/72/345656472.db2.gz IPVKQVHSAXDYDL-STQMWFEESA-N 0 3 276.340 2.419 20 5 CEBDHN CO[C@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000594708827 345675941 /nfs/dbraw/zinc/67/59/41/345675941.db2.gz CBILISHKIUSSAI-LALPHHSUSA-N 0 3 294.351 2.297 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)C1(CO)CC1 ZINC000595068072 345739024 /nfs/dbraw/zinc/73/90/24/345739024.db2.gz ODLMRXYGRYACGX-GHMZBOCLSA-N 0 3 294.351 2.415 20 5 CEBDHN CC1(C)OCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000594994475 345723408 /nfs/dbraw/zinc/72/34/08/345723408.db2.gz GBZGHJZRLOMHGZ-GFCCVEGCSA-N 0 3 264.325 2.500 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CCO)CC1 ZINC000595032051 345731475 /nfs/dbraw/zinc/73/14/75/345731475.db2.gz GJQWBLCZJGCKFH-NSHDSACASA-N 0 3 294.351 2.417 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)C1CCC1 ZINC000595050724 345734780 /nfs/dbraw/zinc/73/47/80/345734780.db2.gz JSHQNHHMALWOJA-HZMBPMFUSA-N 0 3 294.351 2.415 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1CCC[C@@H]1CCO ZINC000595454711 345786714 /nfs/dbraw/zinc/78/67/14/345786714.db2.gz OGGVGTZTNJCYBI-MFKMUULPSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1c(CN2CCC[C@@H]2[C@H](C)O)cccc1[N+](=O)[O-] ZINC000595768116 345871904 /nfs/dbraw/zinc/87/19/04/345871904.db2.gz FDSUEPZNXSBELS-SMDDNHRTSA-N 0 3 264.325 2.248 20 5 CEBDHN CSC[C@@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438627 232279590 /nfs/dbraw/zinc/27/95/90/232279590.db2.gz HUMCPHFIXLCROS-CMPLNLGQSA-N 0 3 284.381 2.359 20 5 CEBDHN CCN1CCN(CCNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596076342 345934260 /nfs/dbraw/zinc/93/42/60/345934260.db2.gz NYRZABKUAQSXDS-UHFFFAOYSA-N 0 3 298.412 2.014 20 5 CEBDHN CC(C)C[N@H+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596288478 345991904 /nfs/dbraw/zinc/99/19/04/345991904.db2.gz BRGAJUFLXKFTAM-UHFFFAOYSA-N 0 3 282.344 2.085 20 5 CEBDHN CC(C)C[N@@H+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596288478 345991906 /nfs/dbraw/zinc/99/19/06/345991906.db2.gz BRGAJUFLXKFTAM-UHFFFAOYSA-N 0 3 282.344 2.085 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597206152 346147906 /nfs/dbraw/zinc/14/79/06/346147906.db2.gz QUWCTHUSCFAYBO-JYAVWHMHSA-N 0 3 278.352 2.352 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597856840 346239149 /nfs/dbraw/zinc/23/91/49/346239149.db2.gz BCZVEJXJYSGRKL-CYBMUJFWSA-N 0 3 291.351 2.197 20 5 CEBDHN COc1cc(N2C[C@@H](C)N[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000599110120 346461105 /nfs/dbraw/zinc/46/11/05/346461105.db2.gz HKJQTHBYHQRSMB-DTORHVGOSA-N 0 3 299.758 2.443 20 5 CEBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN2C2CCCCC2)s1 ZINC000599128397 346464450 /nfs/dbraw/zinc/46/44/50/346464450.db2.gz ZYVQPIYWNJYMDK-NSHDSACASA-N 0 3 296.396 2.292 20 5 CEBDHN COc1cc(CN(C)CC2(C)COC2)ccc1[N+](=O)[O-] ZINC000599571726 346540580 /nfs/dbraw/zinc/54/05/80/346540580.db2.gz SNDWWROCQCLNME-UHFFFAOYSA-N 0 3 280.324 2.072 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599634655 346549802 /nfs/dbraw/zinc/54/98/02/346549802.db2.gz FNGJMKRJVLRKSV-DZGCQCFKSA-N 0 3 276.336 2.189 20 5 CEBDHN Cn1cc(CN2C[C@@H]3C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600190848 346619210 /nfs/dbraw/zinc/61/92/10/346619210.db2.gz IZFUOZMTHMLJAD-BETUJISGSA-N 0 3 298.346 2.447 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000601127225 346761686 /nfs/dbraw/zinc/76/16/86/346761686.db2.gz CJXWFJDEZMKLPY-PSASIEDQSA-N 0 3 280.303 2.166 20 5 CEBDHN C[C@H]1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])O1 ZINC000128453177 187371620 /nfs/dbraw/zinc/37/16/20/187371620.db2.gz RTZJLHOQOIYIEO-JQWIXIFHSA-N 0 3 250.298 2.252 20 5 CEBDHN CCC(CC)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000336812056 365851812 /nfs/dbraw/zinc/85/18/12/365851812.db2.gz PXGREZNDWXYGJL-UHFFFAOYSA-N 0 3 270.304 2.375 20 5 CEBDHN CN1CCC[C@]2(CCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC000601169886 346775550 /nfs/dbraw/zinc/77/55/50/346775550.db2.gz QHTHBYKOGDQNJS-AWEZNQCLSA-N 0 3 294.330 2.051 20 5 CEBDHN CN1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601099821 346752698 /nfs/dbraw/zinc/75/26/98/346752698.db2.gz GHTUYABNMXSPAF-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CN(C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450207103 282508830 /nfs/dbraw/zinc/50/88/30/282508830.db2.gz BHXKSBALKCNJQM-UHFFFAOYSA-N 0 3 292.364 2.114 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2ccco2)C1 ZINC000602780628 347195498 /nfs/dbraw/zinc/19/54/98/347195498.db2.gz BBEDMCUEFQINOE-GFCCVEGCSA-N 0 3 290.323 2.182 20 5 CEBDHN C[C@](CO)(NC[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000602732083 347176105 /nfs/dbraw/zinc/17/61/05/347176105.db2.gz NNHUZUPZVXCFEB-OQMKEHIESA-N 0 3 290.363 2.438 20 5 CEBDHN CC(C)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602733055 347177113 /nfs/dbraw/zinc/17/71/13/347177113.db2.gz SATHIJDSGWDQRF-CQSZACIVSA-N 0 3 266.341 2.438 20 5 CEBDHN CC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602761909 347187698 /nfs/dbraw/zinc/18/76/98/347187698.db2.gz ZRLLOKKBHZVDHH-GFCCVEGCSA-N 0 3 266.345 2.222 20 5 CEBDHN COc1ccc(CNC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085985265 179211301 /nfs/dbraw/zinc/21/13/01/179211301.db2.gz NGBUOXQQGUFQKD-OCCSQVGLSA-N 0 3 294.351 2.244 20 5 CEBDHN CC(C)[C@@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203320 347308501 /nfs/dbraw/zinc/30/85/01/347308501.db2.gz NWLPXBIRWKJGLO-CYBMUJFWSA-N 0 3 293.302 2.030 20 5 CEBDHN O=[N+]([O-])c1sccc1N1CC[C@H](N2CCCC2)C1 ZINC000608909395 347623949 /nfs/dbraw/zinc/62/39/49/347623949.db2.gz MYCKWOLGFOWTNL-JTQLQIEISA-N 0 3 267.354 2.331 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCN(C)C2CC2)n1 ZINC000611616627 347799304 /nfs/dbraw/zinc/79/93/04/347799304.db2.gz IMQLZSMJTKFLBV-UHFFFAOYSA-N 0 3 264.329 2.113 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1cn[nH]c1 ZINC000611498915 347786485 /nfs/dbraw/zinc/78/64/85/347786485.db2.gz GCGWMOHKERPVRM-UHFFFAOYSA-N 0 3 280.715 2.304 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCOC1 ZINC000611515339 347789309 /nfs/dbraw/zinc/78/93/09/347789309.db2.gz KHAYSHFKZQBEJD-ZDUSSCGKSA-N 0 3 294.351 2.462 20 5 CEBDHN COC(=O)C1(CNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000612404558 347880934 /nfs/dbraw/zinc/88/09/34/347880934.db2.gz RBPYMZFUPKBJKB-UHFFFAOYSA-N 0 3 292.335 2.418 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@]1(C)CCOC1 ZINC000273356378 192124463 /nfs/dbraw/zinc/12/44/63/192124463.db2.gz CDLXTLONCWILDI-ZDUSSCGKSA-N 0 3 250.298 2.172 20 5 CEBDHN CCOc1ccc([C@H](C)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000090774134 180038640 /nfs/dbraw/zinc/03/86/40/180038640.db2.gz XQKSTVAMQVAVBC-JQWIXIFHSA-N 0 3 280.324 2.433 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091985330 180297322 /nfs/dbraw/zinc/29/73/22/180297322.db2.gz AWCKBYWKSDPASK-WMADIVHISA-N 0 3 292.335 2.349 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000352193130 219352658 /nfs/dbraw/zinc/35/26/58/219352658.db2.gz BFBCTFAVYFMKHJ-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1c(CN[C@H](CO)C(C)C)cccc1[N+](=O)[O-] ZINC000092395195 180376833 /nfs/dbraw/zinc/37/68/33/180376833.db2.gz PBKKWKWSGVBPTJ-GFCCVEGCSA-N 0 3 252.314 2.010 20 5 CEBDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000106908641 186149633 /nfs/dbraw/zinc/14/96/33/186149633.db2.gz FITLRJFFFILWIW-FZMZJTMJSA-N 0 3 293.367 2.358 20 5 CEBDHN CCC(CC)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000109130247 186244050 /nfs/dbraw/zinc/24/40/50/186244050.db2.gz QZWRDZDHJRMTGE-AWEZNQCLSA-N 0 3 291.351 2.478 20 5 CEBDHN Cn1ncc(Cl)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000131205919 366031528 /nfs/dbraw/zinc/03/15/28/366031528.db2.gz IRLPIDQQLWMWPI-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN COCC(C)(C)CNCc1csc([N+](=O)[O-])c1 ZINC000291659169 198054243 /nfs/dbraw/zinc/05/42/43/198054243.db2.gz DWDALSXWMHIHKP-UHFFFAOYSA-N 0 3 258.343 2.419 20 5 CEBDHN Cc1ccnc(NC[C@@H]2CCN(C3CC3)C2)c1[N+](=O)[O-] ZINC000070495914 363090878 /nfs/dbraw/zinc/09/08/78/363090878.db2.gz OYFPWWPPVPMQBH-NSHDSACASA-N 0 3 276.340 2.194 20 5 CEBDHN CC[C@H](NC[C@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000123176899 187075458 /nfs/dbraw/zinc/07/54/58/187075458.db2.gz CITZOJRSOVBZHX-LSDHHAIUSA-N 0 3 294.351 2.441 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000123706164 187105312 /nfs/dbraw/zinc/10/53/12/187105312.db2.gz FIQNDYSXJOGJNT-UHFFFAOYSA-N 0 3 264.325 2.332 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H]1CCOC1 ZINC000337215812 366082392 /nfs/dbraw/zinc/08/23/92/366082392.db2.gz HBTUPMJWXIXHLS-ZYHUDNBSSA-N 0 3 280.324 2.118 20 5 CEBDHN CN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155049563 188179063 /nfs/dbraw/zinc/17/90/63/188179063.db2.gz LTDJGYWSRIZEAM-JTQLQIEISA-N 0 3 297.742 2.072 20 5 CEBDHN COc1ccc(CNC[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000292960798 198476575 /nfs/dbraw/zinc/47/65/75/198476575.db2.gz JLUNHQVYQYCEOS-AWEZNQCLSA-N 0 3 280.324 2.118 20 5 CEBDHN CC(C)OC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271713362 191286689 /nfs/dbraw/zinc/28/66/89/191286689.db2.gz JMUNHFDEPNHMGN-VXGBXAGGSA-N 0 3 282.340 2.031 20 5 CEBDHN CC[C@@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000132756946 366168742 /nfs/dbraw/zinc/16/87/42/366168742.db2.gz ZYXBFGUSNXFCQQ-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451553433 283032905 /nfs/dbraw/zinc/03/29/05/283032905.db2.gz YQSSFYCTWUQNJI-SWLSCSKDSA-N 0 3 294.351 2.330 20 5 CEBDHN Cc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000133496736 366231751 /nfs/dbraw/zinc/23/17/51/366231751.db2.gz MIFSCERBTSJQHQ-MNOVXSKESA-N 0 3 276.340 2.335 20 5 CEBDHN CCOc1cc(CN[C@@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733246 199640502 /nfs/dbraw/zinc/64/05/02/199640502.db2.gz MCMDHFOVLIPUJH-QWRGUYRKSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)C(F)F ZINC000577443808 314377041 /nfs/dbraw/zinc/37/70/41/314377041.db2.gz LUWLUCHIKGISAW-KCJUWKMLSA-N 0 3 274.267 2.180 20 5 CEBDHN Cc1cccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)c1 ZINC000452095854 283185261 /nfs/dbraw/zinc/18/52/61/283185261.db2.gz WNHJZWYYEIFOQC-LBPRGKRZSA-N 0 3 274.324 2.451 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000338343974 366307169 /nfs/dbraw/zinc/30/71/69/366307169.db2.gz CUHXLVDODNUWRI-CQSZACIVSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000134413210 366316968 /nfs/dbraw/zinc/31/69/68/366316968.db2.gz NINPHYWJMLDTTG-CQSZACIVSA-N 0 3 296.367 2.312 20 5 CEBDHN CC1(C)OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000294790524 199185258 /nfs/dbraw/zinc/18/52/58/199185258.db2.gz LYSSYBHSQGFSMM-LBPRGKRZSA-N 0 3 268.288 2.391 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC2(CO)CCCC2)cs1 ZINC000135065730 366392839 /nfs/dbraw/zinc/39/28/39/366392839.db2.gz CITNYQKASPANLI-UHFFFAOYSA-N 0 3 270.354 2.299 20 5 CEBDHN CC[C@@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135469157 366443479 /nfs/dbraw/zinc/44/34/79/366443479.db2.gz RRGOZTQRBFMJRR-JQWIXIFHSA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@@H](COC)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000079741577 363626709 /nfs/dbraw/zinc/62/67/09/363626709.db2.gz MCRDTYSZOYSMBX-NSHDSACASA-N 0 3 268.313 2.118 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000079963517 363636192 /nfs/dbraw/zinc/63/61/92/363636192.db2.gz LWZKGOJGRRFNBO-LBPRGKRZSA-N 0 3 250.298 2.063 20 5 CEBDHN Cc1ccc(CN[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000080804740 363685227 /nfs/dbraw/zinc/68/52/27/363685227.db2.gz YIYPQXUICKYLTM-GFCCVEGCSA-N 0 3 252.314 2.010 20 5 CEBDHN C[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCCC[C@@H]1C ZINC000339003816 366610702 /nfs/dbraw/zinc/61/07/02/366610702.db2.gz QEYYACHUZIGROW-WDEREUQCSA-N 0 3 281.360 2.003 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCN(C)CC1 ZINC000297998467 200315579 /nfs/dbraw/zinc/31/55/79/200315579.db2.gz XPMRNVDBRRUYOI-LBPRGKRZSA-N 0 3 263.341 2.293 20 5 CEBDHN CCOC[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081519471 363723467 /nfs/dbraw/zinc/72/34/67/363723467.db2.gz VWNBAZMVCOPZEW-ZDUSSCGKSA-N 0 3 294.351 2.332 20 5 CEBDHN C[C@H](CNc1ccncc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000340164763 366786219 /nfs/dbraw/zinc/78/62/19/366786219.db2.gz SZUDIJVPXRXFEM-VXGBXAGGSA-N 0 3 278.356 2.087 20 5 CEBDHN CC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])COC1 ZINC000084440153 363810999 /nfs/dbraw/zinc/81/09/99/363810999.db2.gz WXCUJHWUHVXJPJ-UHFFFAOYSA-N 0 3 270.716 2.374 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC000275868577 193151351 /nfs/dbraw/zinc/15/13/51/193151351.db2.gz NOYDPQMRQKADGQ-MQMHXKEQSA-N 0 3 264.325 2.330 20 5 CEBDHN CCC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000120924858 365497285 /nfs/dbraw/zinc/49/72/85/365497285.db2.gz MJHSPMYNSLVUQA-LBPRGKRZSA-N 0 3 266.345 2.303 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000162837692 367195077 /nfs/dbraw/zinc/19/50/77/367195077.db2.gz GZSDSFNOYNYQSA-GXFFZTMASA-N 0 3 293.367 2.454 20 5 CEBDHN CS[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000611414537 367225669 /nfs/dbraw/zinc/22/56/69/367225669.db2.gz GBXUSTINBYWSKN-ZJUUUORDSA-N 0 3 287.410 2.138 20 5 CEBDHN COCC[C@@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421474 367909477 /nfs/dbraw/zinc/90/94/77/367909477.db2.gz QWXWHQVJFILBSM-BXUZGUMPSA-N 0 3 282.340 2.033 20 5 CEBDHN COCC[C@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173421486 367909851 /nfs/dbraw/zinc/90/98/51/367909851.db2.gz QWXWHQVJFILBSM-FZMZJTMJSA-N 0 3 282.340 2.033 20 5 CEBDHN COCCCN(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173444887 367910624 /nfs/dbraw/zinc/91/06/24/367910624.db2.gz WWOQNCARLFFCEU-ZDUSSCGKSA-N 0 3 295.383 2.214 20 5 CEBDHN C[C@@H](NC[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000173352141 367901423 /nfs/dbraw/zinc/90/14/23/367901423.db2.gz LUGGHAUYIKCKJY-RISCZKNCSA-N 0 3 263.341 2.340 20 5 CEBDHN CCCN(CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000343655918 367941445 /nfs/dbraw/zinc/94/14/45/367941445.db2.gz WVVKBPCGXUZUNU-CQSZACIVSA-N 0 3 291.351 2.432 20 5 CEBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1c(C)noc1C ZINC000182421509 368562032 /nfs/dbraw/zinc/56/20/32/368562032.db2.gz KCUBKPUDAKATAV-GFCCVEGCSA-N 0 3 293.327 2.137 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(N)=O)CC1 ZINC000182628707 368573368 /nfs/dbraw/zinc/57/33/68/368573368.db2.gz ASXWZTGFVQMJKQ-LLVKDONJSA-N 0 3 291.351 2.162 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CO)C1 ZINC000183207375 368617056 /nfs/dbraw/zinc/61/70/56/368617056.db2.gz YDPAZFJSIHBNRS-GFCCVEGCSA-N 0 3 264.325 2.108 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[C@H]1O ZINC000246039521 370902465 /nfs/dbraw/zinc/90/24/65/370902465.db2.gz AJAQAFFOABXHSB-GXTWGEPZSA-N 0 3 264.325 2.188 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000186776885 369040614 /nfs/dbraw/zinc/04/06/14/369040614.db2.gz CKDLGTWSIMMLOZ-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCN(C)C ZINC000348933664 369203193 /nfs/dbraw/zinc/20/31/93/369203193.db2.gz JQHAKUJCHNYWOD-JLHYYAGUSA-N 0 3 277.368 2.492 20 5 CEBDHN Cc1ccc(CN2C[C@@H](C)N(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000354434856 370362280 /nfs/dbraw/zinc/36/22/80/370362280.db2.gz AYOFVCJOVGHKEI-CHWSQXEVSA-N 0 3 277.368 2.428 20 5 CEBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651663 370378315 /nfs/dbraw/zinc/37/83/15/370378315.db2.gz RCBLEODNHLARSB-SECBINFHSA-N 0 3 284.747 2.397 20 5 CEBDHN CCN(C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889070 370388198 /nfs/dbraw/zinc/38/81/98/370388198.db2.gz IZFRZHXSCRHSHF-UHFFFAOYSA-N 0 3 259.256 2.237 20 5 CEBDHN COc1ccc(CN[C@H](CCO)C(C)C)cc1[N+](=O)[O-] ZINC000230688421 370464473 /nfs/dbraw/zinc/46/44/73/370464473.db2.gz NOJVFSCARLRSFA-GFCCVEGCSA-N 0 3 282.340 2.100 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000246796304 371012319 /nfs/dbraw/zinc/01/23/19/371012319.db2.gz CWSMXOBMZDXFFD-MWLCHTKSSA-N 0 3 297.380 2.115 20 5 CEBDHN Cc1c([C@H](C)NCCN2CCC2)cccc1[N+](=O)[O-] ZINC000358342060 371024022 /nfs/dbraw/zinc/02/40/22/371024022.db2.gz PIQXNKLTTGJOLJ-LBPRGKRZSA-N 0 3 263.341 2.260 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247408692 371104280 /nfs/dbraw/zinc/10/42/80/371104280.db2.gz NBNGMBGDEJZNCC-VHSXEESVSA-N 0 3 297.380 2.069 20 5 CEBDHN Cc1c(CN2CC[C@H](C)[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248924987 371271438 /nfs/dbraw/zinc/27/14/38/371271438.db2.gz LKECSDPFFWJKFQ-IINYFYTJSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)[C@@H](C)C1 ZINC000249528148 371332053 /nfs/dbraw/zinc/33/20/53/371332053.db2.gz AFAMZDGKFBJNBN-SMDDNHRTSA-N 0 3 264.325 2.106 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000359153839 371355748 /nfs/dbraw/zinc/35/57/48/371355748.db2.gz MANNXRRUJOILJC-QWHCGFSZSA-N 0 3 268.288 2.127 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC1(CO)CCC1 ZINC000255367544 371582016 /nfs/dbraw/zinc/58/20/16/371582016.db2.gz PLNUEAXUFISVQI-UTCJRWHESA-N 0 3 262.309 2.113 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255692047 371596535 /nfs/dbraw/zinc/59/65/35/371596535.db2.gz AWCKBYWKSDPASK-VFFGBVLKSA-N 0 3 292.335 2.349 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@](C)(C(N)=O)C1 ZINC000361558732 371922682 /nfs/dbraw/zinc/92/26/82/371922682.db2.gz YJTJMOPVJJXQIC-IAQYHMDHSA-N 0 3 291.351 2.162 20 5 CEBDHN C[C@H]1CCC[C@@H](CO)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692213 372536780 /nfs/dbraw/zinc/53/67/80/372536780.db2.gz IVWPCZOOXDLFGR-JSGCOSHPSA-N 0 3 294.351 2.209 20 5 CEBDHN O=[N+]([O-])c1ccc(CCCCNCc2ncc[nH]2)cc1 ZINC000344687615 217276696 /nfs/dbraw/zinc/27/66/96/217276696.db2.gz SYQUMJVKPUDVBO-UHFFFAOYSA-N 0 3 274.324 2.430 20 5 CEBDHN COC[C@H](CNC/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000344798163 217313694 /nfs/dbraw/zinc/31/36/94/217313694.db2.gz RIOWJNAEQKEPPG-XCHKQJEOSA-N 0 3 294.351 2.249 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000271071895 373104067 /nfs/dbraw/zinc/10/40/67/373104067.db2.gz FNHNITYQRKIHES-VHSXEESVSA-N 0 3 268.313 2.025 20 5 CEBDHN CCCNC(=O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344862269 217336950 /nfs/dbraw/zinc/33/69/50/217336950.db2.gz OEVZOHPKJLIIMF-WQLSENKSSA-N 0 3 291.351 2.114 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369677059 373485699 /nfs/dbraw/zinc/48/56/99/373485699.db2.gz VDMOOTQQFATPNA-SWLSCSKDSA-N 0 3 292.335 2.084 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC2(CCO2)CC1 ZINC000370306427 373629996 /nfs/dbraw/zinc/62/99/96/373629996.db2.gz AVFSRBSJKMKNBV-UHFFFAOYSA-N 0 3 292.335 2.358 20 5 CEBDHN Cc1cc(NC(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000274802593 374054481 /nfs/dbraw/zinc/05/44/81/374054481.db2.gz KSISJXZYQPOXTQ-GFCCVEGCSA-N 0 3 292.339 2.119 20 5 CEBDHN COC(=O)C1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000275213750 374187568 /nfs/dbraw/zinc/18/75/68/374187568.db2.gz BLSNFIPOTHAYET-UHFFFAOYSA-N 0 3 298.726 2.291 20 5 CEBDHN Cc1ccc(CN2CC[C@](O)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000373320132 374326106 /nfs/dbraw/zinc/32/61/06/374326106.db2.gz PNMAGJJVJXIEPF-OAHLLOKOSA-N 0 3 276.336 2.250 20 5 CEBDHN CO[C@@H]([C@H](C)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211698 375285433 /nfs/dbraw/zinc/28/54/33/375285433.db2.gz GJKHURMVIHIDRJ-HZMBPMFUSA-N 0 3 264.325 2.498 20 5 CEBDHN CN(CCOCC(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000282328399 375457685 /nfs/dbraw/zinc/45/76/85/375457685.db2.gz AQXLDHATFMSYOL-UHFFFAOYSA-N 0 3 288.294 2.351 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000283717081 375750019 /nfs/dbraw/zinc/75/00/19/375750019.db2.gz FRLMWVPLISCJTD-LBPRGKRZSA-N 0 3 278.356 2.463 20 5 CEBDHN Cc1c(CN(CCOCCO)C(C)C)cccc1[N+](=O)[O-] ZINC000283778944 375759191 /nfs/dbraw/zinc/75/91/91/375759191.db2.gz QVEWFFIWNYTLBW-UHFFFAOYSA-N 0 3 296.367 2.123 20 5 CEBDHN C[C@H](NCCc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283900464 375778167 /nfs/dbraw/zinc/77/81/67/375778167.db2.gz CWPXMZYITQBISR-NSHDSACASA-N 0 3 286.335 2.465 20 5 CEBDHN C[C@H](NC[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158083 375820131 /nfs/dbraw/zinc/82/01/31/375820131.db2.gz PQZVDAXCMWVWSV-ONGXEEELSA-N 0 3 265.313 2.007 20 5 CEBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414531718 375838885 /nfs/dbraw/zinc/83/88/85/375838885.db2.gz SCPCZIABWACTDU-WFASDCNBSA-N 0 3 296.367 2.489 20 5 CEBDHN Cc1ccc(CN2CCC[C@H](CO)[C@@H]2C)cc1[N+](=O)[O-] ZINC000414581697 375867062 /nfs/dbraw/zinc/86/70/62/375867062.db2.gz RCKPLBPKTUUMKS-GXTWGEPZSA-N 0 3 278.352 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2CCO)cc1F ZINC000286383040 375933638 /nfs/dbraw/zinc/93/36/38/375933638.db2.gz ZEZMUPFGKRDPDA-WCQYABFASA-N 0 3 282.315 2.375 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286651565 376025581 /nfs/dbraw/zinc/02/55/81/376025581.db2.gz UFVUWKNAYMVMKK-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN C[C@@H]1[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000419376924 376448125 /nfs/dbraw/zinc/44/81/25/376448125.db2.gz UKSLYYVVYPQATR-MXWKQRLJSA-N 0 3 291.351 2.170 20 5 CEBDHN CO[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000289706742 376456434 /nfs/dbraw/zinc/45/64/34/376456434.db2.gz FCXGDUWXKBQOAJ-GHMZBOCLSA-N 0 3 252.314 2.416 20 5 CEBDHN COc1cc(CN(C)[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000305841576 376516453 /nfs/dbraw/zinc/51/64/53/376516453.db2.gz RGDQFJZTTNBBFF-AWEZNQCLSA-N 0 3 296.367 2.442 20 5 CEBDHN CC[C@@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000562443361 376897213 /nfs/dbraw/zinc/89/72/13/376897213.db2.gz GICHDJIAHXPZLV-CQSZACIVSA-N 0 3 277.368 2.429 20 5 CEBDHN O=[N+]([O-])c1cc2c(nc1NCCN1CCCC1)CCCC2 ZINC000563037396 377070906 /nfs/dbraw/zinc/07/09/06/377070906.db2.gz BBELHTYRECONEK-UHFFFAOYSA-N 0 3 290.367 2.376 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N(C)C[C@@H]1CCCN(C)C1 ZINC000563420116 377219170 /nfs/dbraw/zinc/21/91/70/377219170.db2.gz LQEFMCAGMBYIQH-GFCCVEGCSA-N 0 3 293.367 2.381 20 5 CEBDHN C[C@@H]1CCC[C@@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000292924918 377355438 /nfs/dbraw/zinc/35/54/38/377355438.db2.gz GNKIDEZUMJPVEC-BXUZGUMPSA-N 0 3 264.325 2.236 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000264996976 190150928 /nfs/dbraw/zinc/15/09/28/190150928.db2.gz OGOORBFYWGQPLC-UHFFFAOYSA-N 0 3 275.352 2.265 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCCC1=O ZINC000564578094 377411564 /nfs/dbraw/zinc/41/15/64/377411564.db2.gz SHLBFXKOXJPLDK-GFCCVEGCSA-N 0 3 291.351 2.176 20 5 CEBDHN CC(C)(C)[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000265459119 190183955 /nfs/dbraw/zinc/18/39/55/190183955.db2.gz WQSNWMLYRJWYGD-VIFPVBQESA-N 0 3 258.343 2.153 20 5 CEBDHN Cc1c(CN[C@H]2COCC2(C)C)cccc1[N+](=O)[O-] ZINC000313111849 249383982 /nfs/dbraw/zinc/38/39/82/249383982.db2.gz FRHJGHWLIDIHJA-ZDUSSCGKSA-N 0 3 264.325 2.418 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CCn3ccnc32)cc1 ZINC000293880309 377803863 /nfs/dbraw/zinc/80/38/63/377803863.db2.gz FOPNMZNOUPIDKI-CYBMUJFWSA-N 0 3 272.308 2.068 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000296223164 378457642 /nfs/dbraw/zinc/45/76/42/378457642.db2.gz CAIGJVYKQYLYAO-FOGDFJRCSA-N 0 3 250.298 2.250 20 5 CEBDHN Cc1nccn1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296665724 378611283 /nfs/dbraw/zinc/61/12/83/378611283.db2.gz GCJSRQSNSTYVNX-NSHDSACASA-N 0 3 274.324 2.451 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCCC1(C)C ZINC000450952442 378659421 /nfs/dbraw/zinc/65/94/21/378659421.db2.gz TUTAGUKRCQJUFV-UHFFFAOYSA-N 0 3 295.387 2.406 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ncccc2[N+](=O)[O-])C1 ZINC000298491127 378743186 /nfs/dbraw/zinc/74/31/86/378743186.db2.gz DEKIEZAKGPIUIX-LLVKDONJSA-N 0 3 264.329 2.134 20 5 CEBDHN CCCCOC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102514 378708987 /nfs/dbraw/zinc/70/89/87/378708987.db2.gz KCHRJJUYQKAJKN-SWLSCSKDSA-N 0 3 296.367 2.423 20 5 CEBDHN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000453596555 378916183 /nfs/dbraw/zinc/91/61/83/378916183.db2.gz LUIVDDOEELMKDY-UHFFFAOYSA-N 0 3 290.298 2.165 20 5 CEBDHN CCOCC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571827 194050226 /nfs/dbraw/zinc/05/02/26/194050226.db2.gz CBNKHILEJCJQLM-JSGCOSHPSA-N 0 3 296.367 2.341 20 5 CEBDHN CN(CCN1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301192340 379214463 /nfs/dbraw/zinc/21/44/63/379214463.db2.gz MEHUEHTVHOFSSG-UHFFFAOYSA-N 0 3 267.304 2.266 20 5 CEBDHN CC[C@@H](C)[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000304063015 379518839 /nfs/dbraw/zinc/51/88/39/379518839.db2.gz RFKPPPILIJQAKE-BXUZGUMPSA-N 0 3 266.341 2.482 20 5 CEBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000266913266 190289746 /nfs/dbraw/zinc/28/97/46/190289746.db2.gz DVHPRUVCZOKFLA-SNVBAGLBSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CO)C1 ZINC000267152018 190307047 /nfs/dbraw/zinc/30/70/47/190307047.db2.gz MRVONXFINOPZID-NEPJUHHUSA-N 0 3 264.325 2.360 20 5 CEBDHN CCOc1cc(CN2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000492814660 380698158 /nfs/dbraw/zinc/69/81/58/380698158.db2.gz BHZZYUBVUYBRIS-ZDUSSCGKSA-N 0 3 294.351 2.340 20 5 CEBDHN CCC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000350286768 219005402 /nfs/dbraw/zinc/00/54/02/219005402.db2.gz LIDVQXAPDXSQDK-ZDUSSCGKSA-N 0 3 270.304 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCOC1)CCC2 ZINC000193045449 285144474 /nfs/dbraw/zinc/14/44/74/285144474.db2.gz HYHSZIYAOMVNDU-RISCZKNCSA-N 0 3 262.309 2.351 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC[C@H]1CCCCO1)CC2 ZINC000332643304 285184162 /nfs/dbraw/zinc/18/41/62/285184162.db2.gz XLEDXEAVTFGYLU-CQSZACIVSA-N 0 3 291.351 2.307 20 5 CEBDHN CN1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288632154 197132632 /nfs/dbraw/zinc/13/26/32/197132632.db2.gz YNVISAAVOAITOF-QMMMGPOBSA-N 0 3 293.352 2.106 20 5 CEBDHN CNC(=O)[C@@]1(C)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000281345450 195205810 /nfs/dbraw/zinc/20/58/10/195205810.db2.gz ZLQFHRNQHRJDSQ-NHYWBVRUSA-N 0 3 291.351 2.114 20 5 CEBDHN CO[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000190933293 533440273 /nfs/dbraw/zinc/44/02/73/533440273.db2.gz RPTNVSBBOGVSQD-NWDGAFQWSA-N 0 3 250.298 2.252 20 5 CEBDHN CN(Cc1csc([N+](=O)[O-])c1)C[C@H]1CCCN1C ZINC000421016081 394465471 /nfs/dbraw/zinc/46/54/71/394465471.db2.gz XTILBQMFSXNVGC-LLVKDONJSA-N 0 3 269.370 2.182 20 5 CEBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000413113887 394485039 /nfs/dbraw/zinc/48/50/39/394485039.db2.gz DEYUJSYEPDUKQM-QMMMGPOBSA-N 0 3 268.292 2.024 20 5 CEBDHN Cc1c(CN2CCC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180762 394498759 /nfs/dbraw/zinc/49/87/59/394498759.db2.gz NOAXQSQZZGDTFA-OCCSQVGLSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)C[C@H](CO)C1 ZINC000421361610 394509571 /nfs/dbraw/zinc/50/95/71/394509571.db2.gz LDYQXHFKHRFPTE-AAEUAGOBSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1cc(N2CCN(C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356791003 394615784 /nfs/dbraw/zinc/61/57/84/394615784.db2.gz IFFOAQGCFBDGJD-NEPJUHHUSA-N 0 3 263.341 2.432 20 5 CEBDHN Cc1cc(N[C@H]2CN(C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268168690 394689601 /nfs/dbraw/zinc/68/96/01/394689601.db2.gz QEBIJAZWFSOQOR-JQWIXIFHSA-N 0 3 276.340 2.193 20 5 CEBDHN CCC[C@@](C)(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269258027 394715734 /nfs/dbraw/zinc/71/57/34/394715734.db2.gz XGSQSRHRVYIXGJ-CYBMUJFWSA-N 0 3 299.758 2.382 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@]3(CCOC3)C2)cc1 ZINC000153718054 395015560 /nfs/dbraw/zinc/01/55/60/395015560.db2.gz MASFMJHNOBLINP-OAHLLOKOSA-N 0 3 292.335 2.086 20 5 CEBDHN Cc1c(CN2CCCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000374035042 395071138 /nfs/dbraw/zinc/07/11/38/395071138.db2.gz BQGODCZALMFAKP-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN Cc1ccc(CN[C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000494406224 395111584 /nfs/dbraw/zinc/11/15/84/395111584.db2.gz PJMJIYGXYAKTCQ-ZDUSSCGKSA-N 0 3 286.335 2.204 20 5 CEBDHN CNC(=O)[C@H](C)CN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182823489 395248532 /nfs/dbraw/zinc/24/85/32/395248532.db2.gz VZEMMVNZFXUZJC-VXGBXAGGSA-N 0 3 293.367 2.278 20 5 CEBDHN CO[C@H](C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519619720 395198998 /nfs/dbraw/zinc/19/89/98/395198998.db2.gz VMQONWSJRHBBRX-SKDRFNHKSA-N 0 3 250.298 2.207 20 5 CEBDHN CC(C)C[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000185323498 395277941 /nfs/dbraw/zinc/27/79/41/395277941.db2.gz SBOGCQGDRBDURQ-CQSZACIVSA-N 0 3 266.341 2.434 20 5 CEBDHN Cc1c(CN(C)[C@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000295082522 395285178 /nfs/dbraw/zinc/28/51/78/395285178.db2.gz DNDMXJHBBKXYKZ-LLVKDONJSA-N 0 3 266.341 2.494 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCSC[C@H]2C2CCC2)c1 ZINC000419369265 395266198 /nfs/dbraw/zinc/26/61/98/395266198.db2.gz YXGCXKBWGJUDEJ-ZDUSSCGKSA-N 0 3 296.396 2.009 20 5 CEBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000355363966 395423395 /nfs/dbraw/zinc/42/33/95/395423395.db2.gz DGNCEVJPYMNJHH-XQRVVYSFSA-N 0 3 262.309 2.063 20 5 CEBDHN COC[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000451202729 395593502 /nfs/dbraw/zinc/59/35/02/395593502.db2.gz NYAIJOGCKBVSQC-OAHLLOKOSA-N 0 3 294.351 2.462 20 5 CEBDHN C[C@@H](NCCc1ccn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000230876167 153399421 /nfs/dbraw/zinc/39/94/21/153399421.db2.gz AQVIJXGKPUJGID-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN COc1cc(CN2CCN(C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352769960 154330104 /nfs/dbraw/zinc/33/01/04/154330104.db2.gz OWTLYMQWXWSKAS-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN CO[C@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000359662439 155102780 /nfs/dbraw/zinc/10/27/80/155102780.db2.gz GSAHZJQWWVCYDU-DRDHIDPGSA-N 0 3 292.335 2.003 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCCN(C3CC3)CC2)cc1F ZINC000367266733 156160096 /nfs/dbraw/zinc/16/00/96/156160096.db2.gz JGICMNMPSAXKJM-UHFFFAOYSA-N 0 3 293.342 2.404 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177206228 165187863 /nfs/dbraw/zinc/18/78/63/165187863.db2.gz QKJXKNAAWCYVEV-STQMWFEESA-N 0 3 296.396 2.151 20 5 CEBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000020208232 171072026 /nfs/dbraw/zinc/07/20/26/171072026.db2.gz OUDYDBYAOYHTHH-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000020208260 171072547 /nfs/dbraw/zinc/07/25/47/171072547.db2.gz NRMVTNUCGFPDFY-GWCFXTLKSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H](N[C@H]1CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284959937 196165097 /nfs/dbraw/zinc/16/50/97/196165097.db2.gz FJLSDFMIFJYSPS-LQJRIPTKSA-N 0 3 279.340 2.131 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCCO1 ZINC000035247565 172078697 /nfs/dbraw/zinc/07/86/97/172078697.db2.gz NMWPTKWMYLGNSW-ZWNOBZJWSA-N 0 3 280.324 2.261 20 5 CEBDHN COC[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285458464 196290729 /nfs/dbraw/zinc/29/07/29/196290729.db2.gz ZBBUZKSKZMWHGC-NSHDSACASA-N 0 3 252.314 2.104 20 5 CEBDHN CCCNC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045072375 175301713 /nfs/dbraw/zinc/30/17/13/175301713.db2.gz BPZLHYCVKGTDSZ-NSHDSACASA-N 0 3 279.340 2.162 20 5 CEBDHN CCC[C@@H](NC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270594 176104067 /nfs/dbraw/zinc/10/40/67/176104067.db2.gz BCICZIBCUPTLDQ-ZIAGYGMSSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H](NC[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316323029 270334373 /nfs/dbraw/zinc/33/43/73/270334373.db2.gz LCYXZPUDLKTPLY-QMTHXVAHSA-N 0 3 264.325 2.406 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000395212734 270346464 /nfs/dbraw/zinc/34/64/64/270346464.db2.gz QOKOHWMXUPKBPV-CHWSQXEVSA-N 0 3 294.351 2.196 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CCO)C(C)C ZINC000430212491 271362928 /nfs/dbraw/zinc/36/29/28/271362928.db2.gz NPPSCHOWOVCGLP-ZDUSSCGKSA-N 0 3 282.340 2.100 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173562299 276167536 /nfs/dbraw/zinc/16/75/36/276167536.db2.gz ZCHIFNJARZKJHE-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN CN(CCN1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000097727412 276838150 /nfs/dbraw/zinc/83/81/50/276838150.db2.gz ODYHYEYELNXTIV-UHFFFAOYSA-N 0 3 263.341 2.122 20 5 CEBDHN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCN(C)C1 ZINC000297236857 277004243 /nfs/dbraw/zinc/00/42/43/277004243.db2.gz UKXOVLQAETXULC-LLVKDONJSA-N 0 3 289.339 2.002 20 5 CEBDHN C[C@@H](N[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000103963606 277629212 /nfs/dbraw/zinc/62/92/12/277629212.db2.gz JUYDPKFPMAIZOC-GHMZBOCLSA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@@H](NCCn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000049075178 278349257 /nfs/dbraw/zinc/34/92/57/278349257.db2.gz SVONXLQDCAEXNZ-LLVKDONJSA-N 0 3 260.297 2.142 20 5 CEBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])s1 ZINC000286590229 279088899 /nfs/dbraw/zinc/08/88/99/279088899.db2.gz YXCOFRIPGPNXCO-ZJUUUORDSA-N 0 3 282.369 2.114 20 5 CEBDHN C[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279230195 279360735 /nfs/dbraw/zinc/36/07/35/279360735.db2.gz ZXWGHRUZMHQZBQ-NOZJJQNGSA-N 0 3 264.325 2.288 20 5 CEBDHN Cc1cccc(N2CC[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000365057287 281229217 /nfs/dbraw/zinc/22/92/17/281229217.db2.gz VLSUJGQLCRWGMF-GXTWGEPZSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000362732878 281257732 /nfs/dbraw/zinc/25/77/32/281257732.db2.gz IDNHIMUKGSOSMH-VXGBXAGGSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)[C@@H]1CCCO1 ZINC000447903139 281888056 /nfs/dbraw/zinc/88/80/56/281888056.db2.gz GRWUVMZTXWYNKV-GLQYFDAESA-N 0 3 294.351 2.094 20 5 CEBDHN O=C(NCCN1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000448602650 281942695 /nfs/dbraw/zinc/94/26/95/281942695.db2.gz BLSDAYPPEIUYLL-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC(=O)N(C)C1 ZINC000152423139 289088176 /nfs/dbraw/zinc/08/81/76/289088176.db2.gz YSXALAOEWZAABV-VXGBXAGGSA-N 0 3 291.351 2.175 20 5 CEBDHN CN(C)C[C@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000269607979 289211984 /nfs/dbraw/zinc/21/19/84/289211984.db2.gz CZJGVFKYTOLYLG-SECBINFHSA-N 0 3 285.294 2.403 20 5 CEBDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000252730458 289502827 /nfs/dbraw/zinc/50/28/27/289502827.db2.gz LLISDLAQLODBQN-XCJKDKRRSA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@@H]1C[C@@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343583 290391698 /nfs/dbraw/zinc/39/16/98/290391698.db2.gz GCUGQPXMFIGSHM-CHWSQXEVSA-N 0 3 275.352 2.373 20 5 CEBDHN CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(CC)CC ZINC000530584260 313300099 /nfs/dbraw/zinc/30/00/99/313300099.db2.gz PDNYRXZDJUFHSX-CQSZACIVSA-N 0 3 293.367 2.331 20 5 CEBDHN Cc1c(CN[C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000149573113 525731235 /nfs/dbraw/zinc/73/12/35/525731235.db2.gz GQGJQDMUQMBRDS-PWSUYJOCSA-N 0 3 250.298 2.170 20 5 CEBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(OC)cc1 ZINC000813099906 623017098 /nfs/dbraw/zinc/01/70/98/623017098.db2.gz GXPZBVRTHNTOGZ-ZWNOBZJWSA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813099748 623017343 /nfs/dbraw/zinc/01/73/43/623017343.db2.gz BTJXKQFPELJMMW-ZWNOBZJWSA-N 0 3 263.293 2.315 20 5 CEBDHN Cc1ccc(OCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103837 623021867 /nfs/dbraw/zinc/02/18/67/623021867.db2.gz GSMLSVOVIIWFRY-LBPRGKRZSA-N 0 3 281.308 2.362 20 5 CEBDHN CC(C)Oc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105608 623024937 /nfs/dbraw/zinc/02/49/37/623024937.db2.gz QAAKDCIDZWBTJN-SNVBAGLBSA-N 0 3 267.281 2.296 20 5 CEBDHN CC(COC(=O)C1(Cc2ccccc2F)CC1)[N+](=O)[O-] ZINC000813108634 623040717 /nfs/dbraw/zinc/04/07/17/623040717.db2.gz IYDHVPPMWARJQH-SNVBAGLBSA-N 0 3 281.283 2.357 20 5 CEBDHN CSC1CC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000894057606 629107071 /nfs/dbraw/zinc/10/70/71/629107071.db2.gz ZWTJTSSBOAOMMU-UHFFFAOYSA-N 0 3 292.364 2.455 20 5 CEBDHN CO[C@H]1C[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000895539995 630241236 /nfs/dbraw/zinc/24/12/36/630241236.db2.gz OUBUTLHJAVVRDL-HOMQSWHASA-N 0 3 291.307 2.251 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H]1C ZINC000895737663 630327465 /nfs/dbraw/zinc/32/74/65/630327465.db2.gz QVFFMEPHXOWBMT-UWVGGRQHSA-N 0 3 265.313 2.108 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCN2C2CCOCC2)s1 ZINC000896517809 630587204 /nfs/dbraw/zinc/58/72/04/630587204.db2.gz JVPATUAZDHCUPW-LLVKDONJSA-N 0 3 297.380 2.322 20 5 CEBDHN C[C@H](CNCc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC000897468885 631534138 /nfs/dbraw/zinc/53/41/38/631534138.db2.gz AUPYGBLJQKPXEO-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H](CNCc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000897469092 631536342 /nfs/dbraw/zinc/53/63/42/631536342.db2.gz CVSZKWHYLHTPPO-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@H]1CCCN1CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804521182 631698582 /nfs/dbraw/zinc/69/85/82/631698582.db2.gz LHZRJDMLXPASNA-JTQLQIEISA-N 0 3 294.311 2.399 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](C)[C@@H](O)C1 ZINC000897676317 631862032 /nfs/dbraw/zinc/86/20/32/631862032.db2.gz KSVVCBZGHAPWTC-YGRLFVJLSA-N 0 3 264.325 2.024 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)N(C)C ZINC000807938787 631889537 /nfs/dbraw/zinc/88/95/37/631889537.db2.gz IARZYUJMDFVOPF-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC23CC(O)C3)cc1Cl ZINC000897849286 631944319 /nfs/dbraw/zinc/94/43/19/631944319.db2.gz VFALMNAWQRZSJV-YHECAPGISA-N 0 3 282.727 2.251 20 5 CEBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCO ZINC000811471989 632388401 /nfs/dbraw/zinc/38/84/01/632388401.db2.gz QGRIHOHSXPXBEP-UHFFFAOYSA-N 0 3 279.123 2.374 20 5 CEBDHN CC(COC(=O)Cc1ccccc1C(F)(F)F)[N+](=O)[O-] ZINC000813103352 632622132 /nfs/dbraw/zinc/62/21/32/632622132.db2.gz PAWAOVOJSYHKCN-QMMMGPOBSA-N 0 3 291.225 2.456 20 5 CEBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1cccnc1 ZINC000813104378 632622999 /nfs/dbraw/zinc/62/29/99/632622999.db2.gz ZJXZWFCPMAPSLH-ZYHUDNBSSA-N 0 3 266.297 2.030 20 5 CEBDHN CC(COC(=O)[C@H](C)Cn1ccc2ccccc21)[N+](=O)[O-] ZINC000813105420 632623809 /nfs/dbraw/zinc/62/38/09/632623809.db2.gz ZFIWHRJRPJXCME-VXGBXAGGSA-N 0 3 290.319 2.486 20 5 CEBDHN CC(COC(=O)[C@@H]1CCCC(F)(F)C1)[N+](=O)[O-] ZINC000813107438 632624618 /nfs/dbraw/zinc/62/46/18/632624618.db2.gz QMGZSHJESAJDOX-HTQZYQBOSA-N 0 3 251.229 2.020 20 5 CEBDHN Cc1nc(C(C)C)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107810 632624917 /nfs/dbraw/zinc/62/49/17/632624917.db2.gz XAABKQAHDVVLGK-SSDOTTSWSA-N 0 3 272.326 2.397 20 5 CEBDHN CC(C)COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106465 632624923 /nfs/dbraw/zinc/62/49/23/632624923.db2.gz CZWIQONMQDDNEY-LBPRGKRZSA-N 0 3 295.335 2.472 20 5 CEBDHN CC(C)[C@@H]1C[C@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813108758 632625138 /nfs/dbraw/zinc/62/51/38/632625138.db2.gz LKHOUKGHFSMPSJ-TUAOUCFPSA-N 0 3 273.329 2.036 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c1 ZINC000813108519 632625182 /nfs/dbraw/zinc/62/51/82/632625182.db2.gz GURZTUSPJYOMFL-ZETCQYMHSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)c1ccc2ncccc2c1)[N+](=O)[O-] ZINC000813108055 632625634 /nfs/dbraw/zinc/62/56/34/632625634.db2.gz UPCXESMOQRKXEW-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN CC(COC(=O)C[C@H](C)C(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813111669 632627119 /nfs/dbraw/zinc/62/71/19/632627119.db2.gz VZNLTARBQSBRLZ-UWVGGRQHSA-N 0 3 297.282 2.243 20 5 CEBDHN CC(COC(=O)c1csc(-c2ccccn2)n1)[N+](=O)[O-] ZINC000813111509 632627298 /nfs/dbraw/zinc/62/72/98/632627298.db2.gz UFSFTXNXYCUQID-MRVPVSSYSA-N 0 3 293.304 2.027 20 5 CEBDHN CCSc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813112532 632627412 /nfs/dbraw/zinc/62/74/12/632627412.db2.gz HVBDQOCGEBIASJ-MRVPVSSYSA-N 0 3 270.310 2.016 20 5 CEBDHN CC(COC(=O)CO[C@H]1CCCc2ccccc21)[N+](=O)[O-] ZINC000813110874 632627664 /nfs/dbraw/zinc/62/76/64/632627664.db2.gz LGOPJEPQLAIHBQ-RISCZKNCSA-N 0 3 293.319 2.289 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1cn(C)c2ccccc12)[N+](=O)[O-] ZINC000813112235 632627789 /nfs/dbraw/zinc/62/77/89/632627789.db2.gz OFFMOAVSQDHKNX-QWRGUYRKSA-N 0 3 290.319 2.490 20 5 CEBDHN CCCN(C)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813113636 632628086 /nfs/dbraw/zinc/62/80/86/632628086.db2.gz RYMNISRKZJHOQA-NSHDSACASA-N 0 3 280.324 2.355 20 5 CEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000813113768 632628817 /nfs/dbraw/zinc/62/88/17/632628817.db2.gz VCGHYRGDFCYUOZ-PCYYEKQGSA-N 0 3 294.263 2.207 20 5 CEBDHN Cn1ncc(CNCCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000815132633 632967537 /nfs/dbraw/zinc/96/75/37/632967537.db2.gz GPEAZHJELSEHAH-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN Cc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1[N+](=O)[O-] ZINC000822723516 634981449 /nfs/dbraw/zinc/98/14/49/634981449.db2.gz WPLVFDGXNREZAQ-MXWKQRLJSA-N 0 3 286.291 2.376 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2COC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903223600 635022981 /nfs/dbraw/zinc/02/29/81/635022981.db2.gz HQVZCWZKKUYZMB-BFVZDQMLSA-N 0 3 280.324 2.289 20 5 CEBDHN O=C(NCCN1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149111806 636668569 /nfs/dbraw/zinc/66/85/69/636668569.db2.gz JBBQTKQMPADMLV-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN Cc1occc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000840895202 639574852 /nfs/dbraw/zinc/57/48/52/639574852.db2.gz YKYBZNFZLVLAQA-CQSZACIVSA-N 0 3 276.292 2.319 20 5 CEBDHN C[C@@H](O)C[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000228109167 639617656 /nfs/dbraw/zinc/61/76/56/639617656.db2.gz FKNBHNRMHLOVCH-DTWKUNHWSA-N 0 3 272.732 2.497 20 5 CEBDHN Cc1c(CNC[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000231885348 639882274 /nfs/dbraw/zinc/88/22/74/639882274.db2.gz IRCNGVSWLCYWTK-ZDUSSCGKSA-N 0 3 276.292 2.319 20 5 CEBDHN CO[C@H](CNCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000877026282 650536385 /nfs/dbraw/zinc/53/63/85/650536385.db2.gz BNEUNEPTOKNDJA-LLVKDONJSA-N 0 3 292.257 2.304 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)c2ccco2)c1 ZINC000070141119 641635927 /nfs/dbraw/zinc/63/59/27/641635927.db2.gz OIXVMIOQXOTCAP-LBPRGKRZSA-N 0 3 262.265 2.011 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850572324 642755077 /nfs/dbraw/zinc/75/50/77/642755077.db2.gz ZPZDUKRFKIRHFP-CKLFPEKLSA-N 0 3 265.313 2.005 20 5 CEBDHN COc1ccc([C@@H]2C[C@H]2CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000851036972 642889973 /nfs/dbraw/zinc/88/99/73/642889973.db2.gz OVUPOBAQMCRURQ-OSMZGAPFSA-N 0 3 293.319 2.397 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN(C2CC2)C2CC2)cc1 ZINC000859626937 645544366 /nfs/dbraw/zinc/54/43/66/645544366.db2.gz IGNIOEHSGWMPLC-CQSZACIVSA-N 0 3 262.309 2.255 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccsc1)[N+](=O)[O-] ZINC000860776314 645901794 /nfs/dbraw/zinc/90/17/94/645901794.db2.gz DPMOFJGMHLSETD-UJNFCWOMSA-N 0 3 255.295 2.060 20 5 CEBDHN CC(COC(=O)CC1CCC(F)(F)CC1)[N+](=O)[O-] ZINC000860776003 645901834 /nfs/dbraw/zinc/90/18/34/645901834.db2.gz ASCKNQLNFAXJRX-MRVPVSSYSA-N 0 3 265.256 2.410 20 5 CEBDHN CC(COC(=O)c1cc2c(ccnc2Cl)o1)[N+](=O)[O-] ZINC000870376336 648788734 /nfs/dbraw/zinc/78/87/34/648788734.db2.gz GRBVOZCWCHMZFW-ZCFIWIBFSA-N 0 3 284.655 2.303 20 5 CEBDHN CC(COC(=O)c1ccc(C2CCOCC2)cc1)[N+](=O)[O-] ZINC000870377626 648789848 /nfs/dbraw/zinc/78/98/48/648789848.db2.gz RKECYPVHVZTSOR-LLVKDONJSA-N 0 3 293.319 2.403 20 5 CEBDHN C[C@@H](CCO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040100 649250793 /nfs/dbraw/zinc/25/07/93/649250793.db2.gz JMIHNNBGHOSRQT-UWVGGRQHSA-N 0 3 270.304 2.403 20 5 CEBDHN CN1CCC[C@@H]2[C@@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779811 649486742 /nfs/dbraw/zinc/48/67/42/649486742.db2.gz IKZZUNRGBXKJJF-WDEREUQCSA-N 0 3 296.758 2.316 20 5 CEBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000872779810 649487020 /nfs/dbraw/zinc/48/70/20/649487020.db2.gz IKZZUNRGBXKJJF-QWRGUYRKSA-N 0 3 296.758 2.316 20 5 CEBDHN CN1CCC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781541 649488246 /nfs/dbraw/zinc/48/82/46/649488246.db2.gz VDQZGLOSDFGAGZ-UWVGGRQHSA-N 0 3 267.354 2.329 20 5 CEBDHN CO[C@H]1CC[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321735 651285373 /nfs/dbraw/zinc/28/53/73/651285373.db2.gz RDHWTSJTAWHMLF-STQMWFEESA-N 0 3 294.351 2.473 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ccnc(F)c2[N+](=O)[O-])CN1C1CC1 ZINC000882072474 651952337 /nfs/dbraw/zinc/95/23/37/651952337.db2.gz FIBHGXBSPWTOAM-BDAKNGLRSA-N 0 3 280.303 2.166 20 5 CEBDHN CC(C)=C(F)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125592469 803131468 /nfs/dbraw/zinc/13/14/68/803131468.db2.gz GRRUXZKNPALCGN-UHFFFAOYSA-N 0 3 295.314 2.064 20 5 CEBDHN CCCOCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167873247 804531300 /nfs/dbraw/zinc/53/13/00/804531300.db2.gz IKOGMAAVYUMCTQ-UHFFFAOYSA-N 0 3 265.313 2.037 20 5 CEBDHN O=[N+]([O-])c1cc2c(cc1NCC(F)(F)F)CNC2 ZINC001161630290 805335247 /nfs/dbraw/zinc/33/52/47/805335247.db2.gz FMKUSZOWXBDUPC-UHFFFAOYSA-N 0 3 261.203 2.172 20 5 CEBDHN COc1cccc(F)c1CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168976199 811305115 /nfs/dbraw/zinc/30/51/15/811305115.db2.gz ZHSMIIRFQPXBRV-WDEREUQCSA-N 0 3 282.315 2.369 20 5 CEBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967477 811318622 /nfs/dbraw/zinc/31/86/22/811318622.db2.gz PWSCQMNZNZOVJS-GWCFXTLKSA-N 0 3 280.299 2.043 20 5 CEBDHN Cc1ccc(C2(N[C@@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)cc1 ZINC001168974507 811323587 /nfs/dbraw/zinc/32/35/87/811323587.db2.gz RBNYSFJHQNBLID-DZGCQCFKSA-N 0 3 290.363 2.256 20 5 CEBDHN C[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168974676 811323876 /nfs/dbraw/zinc/32/38/76/811323876.db2.gz SGBORONWFCUZCJ-AEJSXWLSSA-N 0 3 255.343 2.239 20 5 CEBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168999749 811328357 /nfs/dbraw/zinc/32/83/57/811328357.db2.gz VBKCLLPFJHFXLE-GXSJLCMTSA-N 0 3 298.289 2.183 20 5 CEBDHN C[C@]1(F)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1F ZINC001169011990 811333834 /nfs/dbraw/zinc/33/38/34/811333834.db2.gz OKGRCPACKHZNKJ-WYUUTHIRSA-N 0 3 262.300 2.204 20 5 CEBDHN CN(Cc1cncs1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046694 811354636 /nfs/dbraw/zinc/35/46/36/811354636.db2.gz LVJGUUUJYXZELU-ZJUUUORDSA-N 0 3 255.343 2.020 20 5 CEBDHN Cc1c(-n2ccc([C@@H](C)N)n2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169232524 811448160 /nfs/dbraw/zinc/44/81/60/811448160.db2.gz GOOKOKXTHTZVCQ-MRVPVSSYSA-N 0 3 291.267 2.017 20 5 CEBDHN Cc1cc(Cl)c(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170574691 812697391 /nfs/dbraw/zinc/69/73/91/812697391.db2.gz NUIFDUWEPKMULH-JOYOIKCWSA-N 0 3 299.758 2.345 20 5 CEBDHN Cc1cc(Cl)c(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170574689 812698096 /nfs/dbraw/zinc/69/80/96/812698096.db2.gz NUIFDUWEPKMULH-BXKDBHETSA-N 0 3 299.758 2.345 20 5 CEBDHN Cc1cnc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173217115 815623714 /nfs/dbraw/zinc/62/37/14/815623714.db2.gz PGCCAXXMIVJVOB-LLVKDONJSA-N 0 3 286.335 2.414 20 5 CEBDHN Cc1cc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nn1C ZINC001173218917 815624838 /nfs/dbraw/zinc/62/48/38/815624838.db2.gz TWUNBGKBJIMKLI-NSHDSACASA-N 0 3 288.351 2.358 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cncnc1 ZINC001173237394 815648554 /nfs/dbraw/zinc/64/85/54/815648554.db2.gz IXVYEORECINKOC-GFCCVEGCSA-N 0 3 286.335 2.448 20 5 CEBDHN CCN1CCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000037562516 361903537 /nfs/dbraw/zinc/90/35/37/361903537.db2.gz AHUMCGCYETZXMC-NSHDSACASA-N 0 3 269.370 2.230 20 5 CEBDHN COc1ccc(CNCCc2cccnc2)cc1[N+](=O)[O-] ZINC000037718509 361924470 /nfs/dbraw/zinc/92/44/70/361924470.db2.gz KFULLKZFVXLYBT-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCCCC2)cc1 ZINC000037894579 361959201 /nfs/dbraw/zinc/95/92/01/361959201.db2.gz XCWRKQNOEIUJIQ-UHFFFAOYSA-N 0 3 264.325 2.380 20 5 CEBDHN Cc1ccc([C@@H](C)NCCC2OCCO2)cc1[N+](=O)[O-] ZINC000125529721 187189812 /nfs/dbraw/zinc/18/98/12/187189812.db2.gz UFSHYMUGEXUZIN-LLVKDONJSA-N 0 3 280.324 2.317 20 5 CEBDHN CCC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000126334726 187233760 /nfs/dbraw/zinc/23/37/60/187233760.db2.gz NUKBKQBXDRKPLK-YPMHNXCESA-N 0 3 291.351 2.256 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CCCO1 ZINC000449438673 282238254 /nfs/dbraw/zinc/23/82/54/282238254.db2.gz RHZUFVKRCZNSSM-ACVFHECNSA-N 0 3 262.309 2.377 20 5 CEBDHN Cc1cccc(C(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000047141345 362199351 /nfs/dbraw/zinc/19/93/51/362199351.db2.gz QCFQYVOBULREDZ-UHFFFAOYSA-N 0 3 291.351 2.119 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000052102939 343556791 /nfs/dbraw/zinc/55/67/91/343556791.db2.gz JWHYSPYCKUYULM-CQSZACIVSA-N 0 3 280.324 2.084 20 5 CEBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000052908729 343567630 /nfs/dbraw/zinc/56/76/30/343567630.db2.gz YFBGPHWNCGDCAL-UHFFFAOYSA-N 0 3 291.351 2.458 20 5 CEBDHN O=C(NCCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000058744555 343647775 /nfs/dbraw/zinc/64/77/75/343647775.db2.gz SZMKDWMIOYMGNP-UHFFFAOYSA-N 0 3 291.351 2.201 20 5 CEBDHN C[C@@H](N(C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000295054652 199322013 /nfs/dbraw/zinc/32/20/13/199322013.db2.gz BIDMARPMTSLSHK-SNVBAGLBSA-N 0 3 252.314 2.186 20 5 CEBDHN C[C@@H](O)[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000089927535 344131620 /nfs/dbraw/zinc/13/16/20/344131620.db2.gz IHWGIBNWCONVLN-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(=O)N1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413673 344139426 /nfs/dbraw/zinc/13/94/26/344139426.db2.gz SYTZYXCQTGBMFK-YPMHNXCESA-N 0 3 291.351 2.175 20 5 CEBDHN CCc1nn(C)c(NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000092828685 344205294 /nfs/dbraw/zinc/20/52/94/344205294.db2.gz NCUVJLDNFPVPPN-NSHDSACASA-N 0 3 295.387 2.035 20 5 CEBDHN C[C@H](CO)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121085652 344301406 /nfs/dbraw/zinc/30/14/06/344301406.db2.gz RDUIWBDJQWBBHF-LBPRGKRZSA-N 0 3 294.351 2.066 20 5 CEBDHN CC1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000159333228 344454429 /nfs/dbraw/zinc/45/44/29/344454429.db2.gz NBCPFMKEIABHGD-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229955899 344569831 /nfs/dbraw/zinc/56/98/31/344569831.db2.gz VBEBPJOTVSEODE-LBPRGKRZSA-N 0 3 289.339 2.343 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000323562800 344753465 /nfs/dbraw/zinc/75/34/65/344753465.db2.gz QZAITUXBFBNABK-RYUDHWBXSA-N 0 3 270.716 2.251 20 5 CEBDHN CCN(CCNc1ncc(F)cc1[N+](=O)[O-])C1CC1 ZINC000401169706 344867028 /nfs/dbraw/zinc/86/70/28/344867028.db2.gz RJNYLDXFFPXTHH-UHFFFAOYSA-N 0 3 268.292 2.025 20 5 CEBDHN Cc1c(CN2CC[C@H]3CN(C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590012832 345109837 /nfs/dbraw/zinc/10/98/37/345109837.db2.gz ZLIZBBQDBSBFLH-DZGCQCFKSA-N 0 3 275.352 2.039 20 5 CEBDHN CC[C@@H](O)CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764838 345278626 /nfs/dbraw/zinc/27/86/26/345278626.db2.gz KWSYSBADSIQKDZ-LLVKDONJSA-N 0 3 292.257 2.474 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593047780 345428803 /nfs/dbraw/zinc/42/88/03/345428803.db2.gz DSIQYFNENDZLJU-DGCLKSJQSA-N 0 3 296.367 2.490 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)CC1CC1 ZINC000594499079 345638960 /nfs/dbraw/zinc/63/89/60/345638960.db2.gz AGKUYAJLEBGTCH-SMDDNHRTSA-N 0 3 276.336 2.333 20 5 CEBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594599915 345656018 /nfs/dbraw/zinc/65/60/18/345656018.db2.gz KFNCHINTIGEISU-RYUDHWBXSA-N 0 3 276.340 2.419 20 5 CEBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000058885432 362641962 /nfs/dbraw/zinc/64/19/62/362641962.db2.gz DJLFYLYSBYOPAQ-UHFFFAOYSA-N 0 3 299.396 2.316 20 5 CEBDHN CC[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925120 345704229 /nfs/dbraw/zinc/70/42/29/345704229.db2.gz KSMAVCJOBREPCV-WCQYABFASA-N 0 3 250.298 2.252 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2COC3(CCC3)C2)cc1 ZINC000594974410 345720264 /nfs/dbraw/zinc/72/02/64/345720264.db2.gz KALWEWAWTNLKGA-GFCCVEGCSA-N 0 3 262.309 2.396 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)C1CCC1 ZINC000595056177 345735954 /nfs/dbraw/zinc/73/59/54/345735954.db2.gz BVNKUSSSTAPPMQ-KGLIPLIRSA-N 0 3 276.336 2.333 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CNC1(CCO)CCCC1 ZINC000595509087 345799592 /nfs/dbraw/zinc/79/95/92/345799592.db2.gz OUJHPBYNZJDTSI-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN Cc1c(CN2CC[C@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595835056 345891653 /nfs/dbraw/zinc/89/16/53/345891653.db2.gz UJIREJGUBSROEL-KBPBESRZSA-N 0 3 276.336 2.372 20 5 CEBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000595779555 345874669 /nfs/dbraw/zinc/87/46/69/345874669.db2.gz CLSFCJWFJKOUKB-OLZOCXBDSA-N 0 3 294.351 2.473 20 5 CEBDHN Cc1cc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])s1 ZINC000596078473 345934608 /nfs/dbraw/zinc/93/46/08/345934608.db2.gz QTZDGZWGKJQHJW-LLVKDONJSA-N 0 3 299.396 2.223 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000596079082 345934968 /nfs/dbraw/zinc/93/49/68/345934968.db2.gz YGJMZFAZPOFTIS-WDEREUQCSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000596079082 345934972 /nfs/dbraw/zinc/93/49/72/345934972.db2.gz YGJMZFAZPOFTIS-WDEREUQCSA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000596148072 345952169 /nfs/dbraw/zinc/95/21/69/345952169.db2.gz YXNJXJAZOJGDMQ-SECBINFHSA-N 0 3 282.344 2.084 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C(C)(C)C)C1 ZINC000596334493 346002114 /nfs/dbraw/zinc/00/21/14/346002114.db2.gz AKMQLPWNGCOAOB-LLVKDONJSA-N 0 3 295.387 2.404 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCCc3[nH]ncc3C2)c1 ZINC000596597867 346062395 /nfs/dbraw/zinc/06/23/95/346062395.db2.gz ZMETZKCJLPCJSA-UHFFFAOYSA-N 0 3 272.308 2.266 20 5 CEBDHN COc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053094 346120727 /nfs/dbraw/zinc/12/07/27/346120727.db2.gz PCBWWRLSSFXNKP-WFASDCNBSA-N 0 3 292.335 2.261 20 5 CEBDHN COc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597053093 346121095 /nfs/dbraw/zinc/12/10/95/346121095.db2.gz PCBWWRLSSFXNKP-SWLSCSKDSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCCCC2)s1 ZINC000599128396 346464624 /nfs/dbraw/zinc/46/46/24/346464624.db2.gz ZYVQPIYWNJYMDK-LLVKDONJSA-N 0 3 296.396 2.292 20 5 CEBDHN Cc1nn(C)c(NC[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599165191 346470503 /nfs/dbraw/zinc/47/05/03/346470503.db2.gz MZDMTLKMGFXTNX-GFCCVEGCSA-N 0 3 293.371 2.066 20 5 CEBDHN O=c1[n-]ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164070 346470532 /nfs/dbraw/zinc/47/05/32/346470532.db2.gz JAQIGNVRDMDICI-LLVKDONJSA-N 0 3 292.339 2.124 20 5 CEBDHN O=c1[n-]ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599164070 346470535 /nfs/dbraw/zinc/47/05/35/346470535.db2.gz JAQIGNVRDMDICI-LLVKDONJSA-N 0 3 292.339 2.124 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCSCC2)c1 ZINC000129023500 365819159 /nfs/dbraw/zinc/81/91/59/365819159.db2.gz FDERTXCRLKDRQZ-ZDUSSCGKSA-N 0 3 282.365 2.067 20 5 CEBDHN C[C@@H](NCCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599349442 346504157 /nfs/dbraw/zinc/50/41/57/346504157.db2.gz OHLCYRQEBXBALA-GFCCVEGCSA-N 0 3 294.351 2.441 20 5 CEBDHN CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2)[C@@H]2CCO[C@@H]21 ZINC000085637856 179110176 /nfs/dbraw/zinc/11/01/76/179110176.db2.gz IVHZFXPYTKOKMX-MJBXVCDLSA-N 0 3 276.336 2.498 20 5 CEBDHN COCCCN(C)CCNc1ccsc1[N+](=O)[O-] ZINC000601119683 346758395 /nfs/dbraw/zinc/75/83/95/346758395.db2.gz VKUCZXXVESHRSQ-UHFFFAOYSA-N 0 3 273.358 2.037 20 5 CEBDHN CN(C)C1(CNc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601176340 346778311 /nfs/dbraw/zinc/77/83/11/346778311.db2.gz VHYMGZIYFXJVHH-UHFFFAOYSA-N 0 3 286.335 2.071 20 5 CEBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCCO ZINC000602638065 347117243 /nfs/dbraw/zinc/11/72/43/347117243.db2.gz BRFGLWOXDDSIEU-UHFFFAOYSA-N 0 3 292.257 2.476 20 5 CEBDHN COCC[C@@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602693350 347151527 /nfs/dbraw/zinc/15/15/27/347151527.db2.gz FQHSXFVXJZPNRG-SNVBAGLBSA-N 0 3 293.323 2.498 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C)[C@H]1C ZINC000602787509 347198185 /nfs/dbraw/zinc/19/81/85/347198185.db2.gz ZCVDMDDYDWPRBJ-GHMZBOCLSA-N 0 3 266.345 2.220 20 5 CEBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602814432 347211022 /nfs/dbraw/zinc/21/10/22/347211022.db2.gz ARDHKQNBTPQUGJ-STQMWFEESA-N 0 3 296.371 2.012 20 5 CEBDHN CCC[C@H](CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732113 347176096 /nfs/dbraw/zinc/17/60/96/347176096.db2.gz OGRDKDQNXDLJMS-CABCVRRESA-N 0 3 296.367 2.207 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC(C)(C)CC1 ZINC000602823042 347213289 /nfs/dbraw/zinc/21/32/89/347213289.db2.gz UZWVLYGFYVWSPA-UHFFFAOYSA-N 0 3 298.412 2.317 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)C[C@@H]1C ZINC000602844481 347221643 /nfs/dbraw/zinc/22/16/43/347221643.db2.gz UABBWPJCHKVENV-JTQLQIEISA-N 0 3 266.345 2.220 20 5 CEBDHN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000602902075 347241604 /nfs/dbraw/zinc/24/16/04/347241604.db2.gz FUHPJQZVPPDPTQ-GRZMOONWSA-N 0 3 284.335 2.335 20 5 CEBDHN CCCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965921 347258653 /nfs/dbraw/zinc/25/86/53/347258653.db2.gz RHXRHXRRNXPKMN-CYBMUJFWSA-N 0 3 252.314 2.192 20 5 CEBDHN CC[C@](C)(N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000603217832 347311963 /nfs/dbraw/zinc/31/19/63/347311963.db2.gz KNCZLSZEVSGOBL-YGRLFVJLSA-N 0 3 289.339 2.380 20 5 CEBDHN Cc1cc(NC[C@H]2CSCCN2)ccc1[N+](=O)[O-] ZINC000603418191 347365130 /nfs/dbraw/zinc/36/51/30/347365130.db2.gz CQNNMXUQMCTDFT-NSHDSACASA-N 0 3 267.354 2.020 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](CCO)C1 ZINC000609204512 347630881 /nfs/dbraw/zinc/63/08/81/347630881.db2.gz UXCBUDKRWJMCKS-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H](C)C1 ZINC000336840154 365912397 /nfs/dbraw/zinc/91/23/97/365912397.db2.gz PSTFBTFCFZMCBI-MWLCHTKSSA-N 0 3 281.360 2.014 20 5 CEBDHN C[C@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])CN1C1CC1 ZINC000610656620 347698993 /nfs/dbraw/zinc/69/89/93/347698993.db2.gz WYBFJHHMGKYILO-VHSXEESVSA-N 0 3 262.313 2.027 20 5 CEBDHN C[C@@H]1COCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610990641 347727505 /nfs/dbraw/zinc/72/75/05/347727505.db2.gz FAFAYQYLVXZYDN-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN CCN1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611091777 347738775 /nfs/dbraw/zinc/73/87/75/347738775.db2.gz MPSKCZFGWOGEPJ-GFCCVEGCSA-N 0 3 263.341 2.121 20 5 CEBDHN CCN1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611092410 347738857 /nfs/dbraw/zinc/73/88/57/347738857.db2.gz SRBOUUUIYKFCER-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000086626211 179312897 /nfs/dbraw/zinc/31/28/97/179312897.db2.gz QITRGSHJTXFMFI-ONGXEEELSA-N 0 3 252.314 2.182 20 5 CEBDHN CC[C@](C)(O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087028142 179382006 /nfs/dbraw/zinc/38/20/06/179382006.db2.gz NMXUJZKTXJSAAM-LBPRGKRZSA-N 0 3 272.732 2.499 20 5 CEBDHN COc1cc(CN(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000351973299 219271639 /nfs/dbraw/zinc/27/16/39/219271639.db2.gz BZWJLNGTFPFKFT-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCC23CCOCC3)cc1 ZINC000618318128 348923833 /nfs/dbraw/zinc/92/38/33/348923833.db2.gz CNIKRYGVBGIUEL-UHFFFAOYSA-N 0 3 292.335 2.229 20 5 CEBDHN COc1ccc(CN2C[C@@H](C)N(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000339612962 215268352 /nfs/dbraw/zinc/26/83/52/215268352.db2.gz CHTXSNXDUZTXSK-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000619531791 349194784 /nfs/dbraw/zinc/19/47/84/349194784.db2.gz PMNNCNDYOFVWEV-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN Cc1cnc(NC[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000090692038 180024252 /nfs/dbraw/zinc/02/42/52/180024252.db2.gz ZRVFUPPFROYVRA-LLVKDONJSA-N 0 3 276.340 2.194 20 5 CEBDHN Cc1c(CN2CCCC[C@H]2CC(N)=O)cccc1[N+](=O)[O-] ZINC000120548033 186908225 /nfs/dbraw/zinc/90/82/25/186908225.db2.gz GGWRXEQLWXGBNW-ZDUSSCGKSA-N 0 3 291.351 2.133 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131271950 366037716 /nfs/dbraw/zinc/03/77/16/366037716.db2.gz PUPBTOCLIYOEGY-PWSUYJOCSA-N 0 3 250.298 2.343 20 5 CEBDHN C[C@H]1CC[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072897141 363180166 /nfs/dbraw/zinc/18/01/66/363180166.db2.gz QDXLEHAUJZQPRJ-QWRGUYRKSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591832 191230057 /nfs/dbraw/zinc/23/00/57/191230057.db2.gz GPVCFIOGVNPMSN-YGRLFVJLSA-N 0 3 261.325 2.489 20 5 CEBDHN COc1ccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152823474 188046366 /nfs/dbraw/zinc/04/63/66/188046366.db2.gz ZANZDGKMEQGJOL-MDZLAQPJSA-N 0 3 278.308 2.013 20 5 CEBDHN CC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153241324 188072639 /nfs/dbraw/zinc/07/26/39/188072639.db2.gz LRZDBWAJWHJRIM-CQSZACIVSA-N 0 3 264.325 2.330 20 5 CEBDHN C[C@@H](c1cccc(O)c1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000157974685 188349700 /nfs/dbraw/zinc/34/97/00/188349700.db2.gz QGZABZUXQBYVNB-NSHDSACASA-N 0 3 290.323 2.190 20 5 CEBDHN COC1(C)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000271734925 191296016 /nfs/dbraw/zinc/29/60/16/191296016.db2.gz NQNPARPHAPQSCJ-UHFFFAOYSA-N 0 3 294.351 2.475 20 5 CEBDHN CN1CC[C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000272143835 283079130 /nfs/dbraw/zinc/07/91/30/283079130.db2.gz BWNXGLURUJKNEN-ZWNOBZJWSA-N 0 3 279.315 2.264 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(NCC2=CCN(C)CC2)c1 ZINC000273707642 192271325 /nfs/dbraw/zinc/27/13/25/192271325.db2.gz DTVNYTGNZBGNDX-UHFFFAOYSA-N 0 3 277.324 2.277 20 5 CEBDHN CN1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000273722345 192277969 /nfs/dbraw/zinc/27/79/69/192277969.db2.gz GVQCSZAMNYXWHC-UONOGXRCSA-N 0 3 299.334 2.242 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(N(C)C)CC1 ZINC000418115964 237292242 /nfs/dbraw/zinc/29/22/42/237292242.db2.gz QCZBGFKZVNZBHS-UHFFFAOYSA-N 0 3 293.367 2.177 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCN(CC(F)F)C2)c1 ZINC000418134109 237314066 /nfs/dbraw/zinc/31/40/66/237314066.db2.gz LVTSVADFNOGFNV-NSHDSACASA-N 0 3 285.294 2.024 20 5 CEBDHN CN(C)CCNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000145990450 366574177 /nfs/dbraw/zinc/57/41/77/366574177.db2.gz YPVDAXGXTOECCI-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742157 291217739 /nfs/dbraw/zinc/21/77/39/291217739.db2.gz NXZHZWBGGJJTSN-WDEREUQCSA-N 0 3 280.324 2.397 20 5 CEBDHN C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177056867 189025150 /nfs/dbraw/zinc/02/51/50/189025150.db2.gz ZYDCZLCXFSVWRV-WPRPVWTQSA-N 0 3 295.364 2.011 20 5 CEBDHN CCOC[C@H](O)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178712067 189139441 /nfs/dbraw/zinc/13/94/41/189139441.db2.gz CELZMXYPTIIRHR-ZIAGYGMSSA-N 0 3 282.340 2.033 20 5 CEBDHN CCN(C)C(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180431219 189254813 /nfs/dbraw/zinc/25/48/13/189254813.db2.gz QWGFCFWBQYHXIT-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN CC1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929791 189310276 /nfs/dbraw/zinc/31/02/76/189310276.db2.gz SGTWBRWUPJHOTC-LBPRGKRZSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061727 363795705 /nfs/dbraw/zinc/79/57/05/363795705.db2.gz KQMFSVCZSYHIHA-YPMHNXCESA-N 0 3 291.351 2.175 20 5 CEBDHN CC(C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440145 363811047 /nfs/dbraw/zinc/81/10/47/363811047.db2.gz CHJAOMCWJVEOMO-UHFFFAOYSA-N 0 3 258.705 2.109 20 5 CEBDHN Cc1noc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000089517823 363975216 /nfs/dbraw/zinc/97/52/16/363975216.db2.gz WWVGQEZSWMOWFO-SNVBAGLBSA-N 0 3 290.323 2.488 20 5 CEBDHN Cc1ccc(CN(C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000093414502 364177489 /nfs/dbraw/zinc/17/74/89/364177489.db2.gz UQSRGMIPJGYJEW-UHFFFAOYSA-N 0 3 252.314 2.106 20 5 CEBDHN CCCCN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774542 364295750 /nfs/dbraw/zinc/29/57/50/364295750.db2.gz IPCMMRLOCOJISX-UHFFFAOYSA-N 0 3 270.304 2.328 20 5 CEBDHN CCN(CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CC1 ZINC000101956826 364579908 /nfs/dbraw/zinc/57/99/08/364579908.db2.gz XYQYZLLJKVAADM-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104077245 364675954 /nfs/dbraw/zinc/67/59/54/364675954.db2.gz DVVWSGPFOPLWHV-QWRGUYRKSA-N 0 3 291.351 2.457 20 5 CEBDHN CC[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000340688374 366988256 /nfs/dbraw/zinc/98/82/56/366988256.db2.gz MIJOPXCANWYNQR-GFCCVEGCSA-N 0 3 277.324 2.068 20 5 CEBDHN C[C@@H](NCCc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000340938769 367100191 /nfs/dbraw/zinc/10/01/91/367100191.db2.gz KFWOZBDUMLMZGJ-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]2CCC[C@H]21 ZINC000245577707 370842530 /nfs/dbraw/zinc/84/25/30/370842530.db2.gz GVIZFGGQNBZOCA-GXTWGEPZSA-N 0 3 291.351 2.021 20 5 CEBDHN COc1ccc(CN(C)[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000275909274 193161011 /nfs/dbraw/zinc/16/10/11/193161011.db2.gz TZUKOIHEMVPSQP-JOCQHMNTSA-N 0 3 294.351 2.339 20 5 CEBDHN Cc1cnc(N[C@H]2CCCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000343530741 367867468 /nfs/dbraw/zinc/86/74/68/367867468.db2.gz OXAMGEOLRZXQGW-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@H](NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000173352155 367901366 /nfs/dbraw/zinc/90/13/66/367901366.db2.gz LUGGHAUYIKCKJY-SMDDNHRTSA-N 0 3 263.341 2.340 20 5 CEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)CN(C)C ZINC000343784640 368001410 /nfs/dbraw/zinc/00/14/10/368001410.db2.gz AJDDJFRBIVNOAY-SNVBAGLBSA-N 0 3 295.339 2.052 20 5 CEBDHN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000348178331 368936383 /nfs/dbraw/zinc/93/63/83/368936383.db2.gz BOBUIGAZIJPFSO-LBPRGKRZSA-N 0 3 293.342 2.402 20 5 CEBDHN COc1cc(CN2CCC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000348377361 369024529 /nfs/dbraw/zinc/02/45/29/369024529.db2.gz RNWXGBANQJZTAW-HNNXBMFYSA-N 0 3 294.351 2.340 20 5 CEBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000348699080 369123605 /nfs/dbraw/zinc/12/36/05/369123605.db2.gz AGSUQBXHRRKCAZ-XYLWRLHESA-N 0 3 264.325 2.311 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@H](O)C1(C)C ZINC000189328529 369498845 /nfs/dbraw/zinc/49/88/45/369498845.db2.gz PQNGCVLZGWDNRG-STQMWFEESA-N 0 3 264.325 2.152 20 5 CEBDHN O=[N+]([O-])c1cnc(NC2CCN(CC3CC3)CC2)s1 ZINC000195509963 370135655 /nfs/dbraw/zinc/13/56/55/370135655.db2.gz OEYHRRXYRSFPFW-UHFFFAOYSA-N 0 3 282.369 2.338 20 5 CEBDHN C[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)CCO1 ZINC000219889842 370227915 /nfs/dbraw/zinc/22/79/15/370227915.db2.gz WYFLWYDSIGQTRC-PSASIEDQSA-N 0 3 256.327 2.313 20 5 CEBDHN Cc1ccc(CNCCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000227959482 370388914 /nfs/dbraw/zinc/38/89/14/370388914.db2.gz NRJLKGRVYVORFX-LLVKDONJSA-N 0 3 252.314 2.154 20 5 CEBDHN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000355194547 370543970 /nfs/dbraw/zinc/54/39/70/370543970.db2.gz WEXOUWWWNQGAMO-BRDDXIKOSA-N 0 3 276.336 2.311 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000234889057 370547041 /nfs/dbraw/zinc/54/70/41/370547041.db2.gz SRHOKAXQALZXMY-DZGCQCFKSA-N 0 3 292.335 2.261 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000236778430 370625964 /nfs/dbraw/zinc/62/59/64/370625964.db2.gz UZVJTJXGKIHVRE-GWCFXTLKSA-N 0 3 279.340 2.064 20 5 CEBDHN CC[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)N1CCCC1 ZINC000360966350 371569257 /nfs/dbraw/zinc/56/92/57/371569257.db2.gz PBVOTEXBGPVFQW-GFCCVEGCSA-N 0 3 295.387 2.406 20 5 CEBDHN COC(=O)[C@H](C)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255692055 371596630 /nfs/dbraw/zinc/59/66/30/371596630.db2.gz AWCKBYWKSDPASK-XYLWRLHESA-N 0 3 292.335 2.349 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361060602 371626745 /nfs/dbraw/zinc/62/67/45/371626745.db2.gz MRRZSSAFXMEUOE-CYBMUJFWSA-N 0 3 264.325 2.248 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000353332338 220031291 /nfs/dbraw/zinc/03/12/91/220031291.db2.gz QDAPIOUNESBEBM-AWEZNQCLSA-N 0 3 275.352 2.263 20 5 CEBDHN CC[C@]1(C)CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344208708 217098458 /nfs/dbraw/zinc/09/84/58/217098458.db2.gz BFOSTVZLGDUIPC-OAHLLOKOSA-N 0 3 291.351 2.316 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344422873 217188420 /nfs/dbraw/zinc/18/84/20/217188420.db2.gz CNWNMQSSMNTZKD-GFCCVEGCSA-N 0 3 264.329 2.276 20 5 CEBDHN CC1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269674890 372529280 /nfs/dbraw/zinc/52/92/80/372529280.db2.gz VWSMZXKFEYNCEN-CYBMUJFWSA-N 0 3 264.325 2.360 20 5 CEBDHN C[C@H](O)C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000269772579 372561664 /nfs/dbraw/zinc/56/16/64/372561664.db2.gz BUXYFWJEBBYTCU-QWHCGFSZSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@@H]1CCC[C@@H](CO)N1Cc1ccccc1[N+](=O)[O-] ZINC000269720825 372547049 /nfs/dbraw/zinc/54/70/49/372547049.db2.gz UKSRJUOJJUXYQQ-YPMHNXCESA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1ccnc(N2CCCN(CC(C)C)CC2)c1[N+](=O)[O-] ZINC000364828606 372796577 /nfs/dbraw/zinc/79/65/77/372796577.db2.gz HKZDGIFECPFLSO-UHFFFAOYSA-N 0 3 292.383 2.466 20 5 CEBDHN C[C@@H](NC[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491682 220114488 /nfs/dbraw/zinc/11/44/88/220114488.db2.gz SLVFTKPXDJXOCF-MFKMUULPSA-N 0 3 264.325 2.264 20 5 CEBDHN Cc1c(CN2CC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000373297849 374321078 /nfs/dbraw/zinc/32/10/78/374321078.db2.gz BYIDNSLONAGSPK-HNNXBMFYSA-N 0 3 276.336 2.250 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000383797382 375205276 /nfs/dbraw/zinc/20/52/76/375205276.db2.gz YAXJBHGPKKNPGJ-RISCZKNCSA-N 0 3 282.315 2.375 20 5 CEBDHN CCOC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282452256 375487919 /nfs/dbraw/zinc/48/79/19/375487919.db2.gz LUZTZBHMBRHDFC-UHFFFAOYSA-N 0 3 280.324 2.022 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)C[C@H](O)C1 ZINC000414529643 375837082 /nfs/dbraw/zinc/83/70/82/375837082.db2.gz VYFANUKHNMBZFZ-YGRLFVJLSA-N 0 3 264.325 2.106 20 5 CEBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414531716 375839093 /nfs/dbraw/zinc/83/90/93/375839093.db2.gz SCPCZIABWACTDU-SWLSCSKDSA-N 0 3 296.367 2.489 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414537426 375840877 /nfs/dbraw/zinc/84/08/77/375840877.db2.gz YZCWDIAURMFAKF-UONOGXRCSA-N 0 3 266.341 2.480 20 5 CEBDHN CN1CC=C(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286433407 375951811 /nfs/dbraw/zinc/95/18/11/375951811.db2.gz IGMONKWJLIZYIZ-UHFFFAOYSA-N 0 3 265.288 2.408 20 5 CEBDHN C[C@@H](CN(C)C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000310144588 376614941 /nfs/dbraw/zinc/61/49/41/376614941.db2.gz FGLHHXCBJGRXMI-ZETCQYMHSA-N 0 3 258.709 2.005 20 5 CEBDHN CC(C)[C@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000313299040 376742421 /nfs/dbraw/zinc/74/24/21/376742421.db2.gz JKZNANXJKKYAHK-AWEZNQCLSA-N 0 3 289.339 2.085 20 5 CEBDHN CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCN1C ZINC000421003869 376779118 /nfs/dbraw/zinc/77/91/18/376779118.db2.gz SGFAAWPKVJLBIX-SNVBAGLBSA-N 0 3 299.321 2.399 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CN1C1CC1 ZINC000290495204 376803033 /nfs/dbraw/zinc/80/30/33/376803033.db2.gz AHUGEGMWSCJKPG-BDAKNGLRSA-N 0 3 294.330 2.353 20 5 CEBDHN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000562532685 376923809 /nfs/dbraw/zinc/92/38/09/376923809.db2.gz GMVNMRXWUIJUDD-UHFFFAOYSA-N 0 3 284.385 2.362 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCN(C3CCC3)CC2)cc1 ZINC000265125206 190159468 /nfs/dbraw/zinc/15/94/68/190159468.db2.gz GREXPDPBQIPNEC-UHFFFAOYSA-N 0 3 289.379 2.307 20 5 CEBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000293401662 377551840 /nfs/dbraw/zinc/55/18/40/377551840.db2.gz LPDFHGDENXYIDS-GHMZBOCLSA-N 0 3 250.298 2.314 20 5 CEBDHN Cc1c(CN2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000332260872 377553265 /nfs/dbraw/zinc/55/32/65/377553265.db2.gz VLBRKGAIVXDHJO-SOUVJXGZSA-N 0 3 290.363 2.496 20 5 CEBDHN CN(C)CCN(C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432310615 377742124 /nfs/dbraw/zinc/74/21/24/377742124.db2.gz IUQDPUOMTPKRRN-UHFFFAOYSA-N 0 3 274.324 2.141 20 5 CEBDHN Cc1cc(Cl)c(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000295497885 378184848 /nfs/dbraw/zinc/18/48/48/378184848.db2.gz NQKKLSCXKLSPDH-VIFPVBQESA-N 0 3 299.758 2.237 20 5 CEBDHN CS[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296080242 378412463 /nfs/dbraw/zinc/41/24/63/378412463.db2.gz CKRGUFMOEXGQMG-CYBMUJFWSA-N 0 3 282.365 2.411 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000296223176 378457710 /nfs/dbraw/zinc/45/77/10/378457710.db2.gz CAIGJVYKQYLYAO-SCVCMEIPSA-N 0 3 250.298 2.250 20 5 CEBDHN Cc1nc(N[C@@H](C)CN2CCCCCC2)ncc1[N+](=O)[O-] ZINC000450449678 378423027 /nfs/dbraw/zinc/42/30/27/378423027.db2.gz ATZXMZOVPGAZCX-NSHDSACASA-N 0 3 293.371 2.370 20 5 CEBDHN Cc1cccc(N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000450776782 378573615 /nfs/dbraw/zinc/57/36/15/378573615.db2.gz IKJUEFPLUHJBOV-YPMHNXCESA-N 0 3 261.325 2.044 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCN1C ZINC000299237576 378938802 /nfs/dbraw/zinc/93/88/02/378938802.db2.gz ICADEIZYGIAYME-GFCCVEGCSA-N 0 3 292.339 2.119 20 5 CEBDHN CC[C@H](C)[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000453586969 378913880 /nfs/dbraw/zinc/91/38/80/378913880.db2.gz SLUYVPBYUVFHLC-QMMMGPOBSA-N 0 3 254.286 2.197 20 5 CEBDHN COC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278619298 194072288 /nfs/dbraw/zinc/07/22/88/194072288.db2.gz JQHFYXXDECUYJV-UKRRQHHQSA-N 0 3 294.351 2.187 20 5 CEBDHN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1C ZINC000347264067 218173367 /nfs/dbraw/zinc/17/33/67/218173367.db2.gz NHSBMMADDUNGIA-RISCZKNCSA-N 0 3 292.335 2.287 20 5 CEBDHN CC[C@H](C)N(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347479125 218250404 /nfs/dbraw/zinc/25/04/04/218250404.db2.gz RHMAHETXZWIMPJ-NSHDSACASA-N 0 3 282.340 2.196 20 5 CEBDHN CCN1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301235791 379227437 /nfs/dbraw/zinc/22/74/37/379227437.db2.gz HRLITEJQRUTNEM-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN CC[C@H](C)[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000304040785 379516354 /nfs/dbraw/zinc/51/63/54/379516354.db2.gz IPGIYHLMEZTSCR-FZMZJTMJSA-N 0 3 266.341 2.482 20 5 CEBDHN CS[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000347796705 218359077 /nfs/dbraw/zinc/35/90/77/218359077.db2.gz VMCOGHPWVWUSAN-KGLIPLIRSA-N 0 3 295.408 2.385 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](N2CCCC2)C1 ZINC000061858094 285077072 /nfs/dbraw/zinc/07/70/72/285077072.db2.gz QAFJDGINWCWPTN-LLVKDONJSA-N 0 3 279.315 2.408 20 5 CEBDHN Cc1cc(N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000289216518 197265778 /nfs/dbraw/zinc/26/57/78/197265778.db2.gz WNNVQTPPCAJGAL-AWEZNQCLSA-N 0 3 293.367 2.162 20 5 CEBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281768002 195373560 /nfs/dbraw/zinc/37/35/60/195373560.db2.gz SEJOHNYMJUVGAL-IUODEOHRSA-N 0 3 294.351 2.473 20 5 CEBDHN CC[C@@H](N[C@@H](CO)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000281815917 195393045 /nfs/dbraw/zinc/39/30/45/195393045.db2.gz ZIFFGOWAAOCRQM-TZMCWYRMSA-N 0 3 282.340 2.033 20 5 CEBDHN Cc1cc(C(=O)N2CCC[C@H]2CN(C)C)ccc1[N+](=O)[O-] ZINC000263941403 131365981 /nfs/dbraw/zinc/36/59/81/131365981.db2.gz ZWDUPZBUIWAWPU-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000421739360 394578962 /nfs/dbraw/zinc/57/89/62/394578962.db2.gz AWQBKYSPNFENEX-UHFFFAOYSA-N 0 3 291.351 2.036 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000421774242 394589922 /nfs/dbraw/zinc/58/99/22/394589922.db2.gz SRLWGGJCWMNRJX-GFCCVEGCSA-N 0 3 291.351 2.036 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000308675794 394530472 /nfs/dbraw/zinc/53/04/72/394530472.db2.gz NVIXQJJXKYXNCQ-UHFFFAOYSA-N 0 3 299.758 2.318 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000051555030 394556177 /nfs/dbraw/zinc/55/61/77/394556177.db2.gz KKUUTSIYIMMJNY-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H](CO)[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077421003 394622196 /nfs/dbraw/zinc/62/21/96/394622196.db2.gz PVUWDFWOMUMULR-BDAKNGLRSA-N 0 3 272.732 2.355 20 5 CEBDHN Cc1cnc(N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269107883 394712148 /nfs/dbraw/zinc/71/21/48/394712148.db2.gz VIUARJOKVXUWGO-QWHCGFSZSA-N 0 3 290.367 2.219 20 5 CEBDHN C[C@H](Nc1ncccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000273040895 394781156 /nfs/dbraw/zinc/78/11/56/394781156.db2.gz WDHHPPOSBCLKIZ-JTQLQIEISA-N 0 3 262.313 2.052 20 5 CEBDHN COCC[C@H](COC)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336832069 394879977 /nfs/dbraw/zinc/87/99/77/394879977.db2.gz LIPQAEOINFMCRE-WCQYABFASA-N 0 3 282.340 2.297 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000364308486 394893004 /nfs/dbraw/zinc/89/30/04/394893004.db2.gz OSZBRTMARFCWST-BXUZGUMPSA-N 0 3 261.325 2.125 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000423589589 394955071 /nfs/dbraw/zinc/95/50/71/394955071.db2.gz AGNOIMOMTGPRFL-VXGBXAGGSA-N 0 3 291.351 2.034 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@]3(CCOC3)C2)cc1 ZINC000153384297 395006340 /nfs/dbraw/zinc/00/63/40/395006340.db2.gz MTMXDLZVJRDHMC-CQSZACIVSA-N 0 3 262.309 2.207 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCn2ccnc2C1 ZINC000494426462 395112829 /nfs/dbraw/zinc/11/28/29/395112829.db2.gz OZPAQFDXAFZEER-ZDUSSCGKSA-N 0 3 286.335 2.204 20 5 CEBDHN CCC[C@](C)(O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596135 395242268 /nfs/dbraw/zinc/24/22/68/395242268.db2.gz FTEGCNOLFJWCTK-HZMBPMFUSA-N 0 3 281.356 2.379 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000192674256 395390133 /nfs/dbraw/zinc/39/01/33/395390133.db2.gz NXWYAMJDRZXIHZ-MWLCHTKSSA-N 0 3 293.371 2.157 20 5 CEBDHN CN(C)C[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000194683549 395445702 /nfs/dbraw/zinc/44/57/02/395445702.db2.gz JKUUFCCKQXEDFG-LLVKDONJSA-N 0 3 297.380 2.213 20 5 CEBDHN CN1CC[C@@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000191208250 153164192 /nfs/dbraw/zinc/16/41/92/153164192.db2.gz IIDHEPZOFQBVOQ-SECBINFHSA-N 0 3 253.327 2.034 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CCN(C3CC3)C2)n1 ZINC000359079488 154873277 /nfs/dbraw/zinc/87/32/77/154873277.db2.gz BHALHWGSMNMZOW-ZDUSSCGKSA-N 0 3 290.367 2.280 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367798321 156239476 /nfs/dbraw/zinc/23/94/76/156239476.db2.gz QBIPUWGNPUIFKV-BSLXNSKLSA-N 0 3 276.336 2.134 20 5 CEBDHN COCCCN(CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183293180 292345536 /nfs/dbraw/zinc/34/55/36/292345536.db2.gz NWPSNVQIYCWEPP-UHFFFAOYSA-N 0 3 296.367 2.388 20 5 CEBDHN CC[C@@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131908605 286832167 /nfs/dbraw/zinc/83/21/67/286832167.db2.gz DEVIPXAXOJRZPO-PWSUYJOCSA-N 0 3 252.314 2.406 20 5 CEBDHN CC[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168131274 162364205 /nfs/dbraw/zinc/36/42/05/162364205.db2.gz PXLZNABMQBTTDG-JTQLQIEISA-N 0 3 272.732 2.499 20 5 CEBDHN CC[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174879520 165117715 /nfs/dbraw/zinc/11/77/15/165117715.db2.gz KUKDSSJJJUMUES-ZDUSSCGKSA-N 0 3 266.345 2.303 20 5 CEBDHN Cc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176228363 165159953 /nfs/dbraw/zinc/15/99/53/165159953.db2.gz GZHCPAAOQGYEGT-UHFFFAOYSA-N 0 3 280.353 2.293 20 5 CEBDHN C[C@@H](NCCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127416 171012918 /nfs/dbraw/zinc/01/29/18/171012918.db2.gz SLYQXGPYBYCDRZ-GFCCVEGCSA-N 0 3 291.351 2.258 20 5 CEBDHN CC(C)OCCCNCc1ccccc1[N+](=O)[O-] ZINC000020198328 171062761 /nfs/dbraw/zinc/06/27/61/171062761.db2.gz ORMSYAWDHACYNZ-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN CN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000035635901 172320899 /nfs/dbraw/zinc/32/08/99/172320899.db2.gz ZTIDPOMWPNECGW-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000040672917 174371703 /nfs/dbraw/zinc/37/17/03/174371703.db2.gz RBRYUFNVTWBGJX-CYBMUJFWSA-N 0 3 263.341 2.087 20 5 CEBDHN C[C@@H](CO)[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077423385 177265642 /nfs/dbraw/zinc/26/56/42/177265642.db2.gz OVAIGVBVIPSSSQ-DTWKUNHWSA-N 0 3 272.732 2.355 20 5 CEBDHN CC[C@@](C)(CO)NCc1cccc([N+](=O)[O-])c1C ZINC000080108565 177610487 /nfs/dbraw/zinc/61/04/87/177610487.db2.gz QUFNSTZYJZPTRY-ZDUSSCGKSA-N 0 3 252.314 2.154 20 5 CEBDHN CC[C@@](C)(CNCc1cccc([N+](=O)[O-])c1)OC ZINC000322544181 270334954 /nfs/dbraw/zinc/33/49/54/270334954.db2.gz UDUHDCJLINMKKC-ZDUSSCGKSA-N 0 3 252.314 2.500 20 5 CEBDHN COc1cc(CN(C)[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000426211736 271204245 /nfs/dbraw/zinc/20/42/45/271204245.db2.gz VTKYVRDWWMXCHK-TZMCWYRMSA-N 0 3 294.351 2.339 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCCC3)C2)nc1 ZINC000264540736 275036802 /nfs/dbraw/zinc/03/68/02/275036802.db2.gz AOYMXWREUCIQJW-CYBMUJFWSA-N 0 3 276.340 2.054 20 5 CEBDHN CN1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000364164296 277146897 /nfs/dbraw/zinc/14/68/97/277146897.db2.gz AXCQROIRWRYWDI-QMTHXVAHSA-N 0 3 279.315 2.264 20 5 CEBDHN CN1CC[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000272232345 277178969 /nfs/dbraw/zinc/17/89/69/277178969.db2.gz UXKDWTZPLPQWPA-JOYOIKCWSA-N 0 3 296.758 2.174 20 5 CEBDHN CNC(=O)CCN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182741632 277226368 /nfs/dbraw/zinc/22/63/68/277226368.db2.gz CMTBWVCBQMHFLI-LLVKDONJSA-N 0 3 279.340 2.032 20 5 CEBDHN CS[C@H]1CCCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134591446 278161324 /nfs/dbraw/zinc/16/13/24/278161324.db2.gz VLZSJDBDDLPDQN-LBPRGKRZSA-N 0 3 284.385 2.009 20 5 CEBDHN C[C@H](CO)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417312671 279360611 /nfs/dbraw/zinc/36/06/11/279360611.db2.gz OBLBBPPQUKHIDH-YGRLFVJLSA-N 0 3 264.325 2.333 20 5 CEBDHN C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000275660338 279534257 /nfs/dbraw/zinc/53/42/57/279534257.db2.gz VNOAEMVSHWPMPI-UHTWSYAYSA-N 0 3 291.351 2.290 20 5 CEBDHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000246410329 280291909 /nfs/dbraw/zinc/29/19/09/280291909.db2.gz MKCABWDLNVXPSP-ZKYQVNSYSA-N 0 3 264.325 2.467 20 5 CEBDHN Cc1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000267052775 280880919 /nfs/dbraw/zinc/88/09/19/280880919.db2.gz OFKHCBQAILAGLC-ZDUSSCGKSA-N 0 3 273.336 2.354 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[C@H]1O)CCC2 ZINC000424325943 281149051 /nfs/dbraw/zinc/14/90/51/281149051.db2.gz LIMXUKVDYLCJLU-MGPQQGTHSA-N 0 3 262.309 2.085 20 5 CEBDHN C[C@H]1CC[C@@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576141 281246357 /nfs/dbraw/zinc/24/63/57/281246357.db2.gz BMJKRQLZXGMAQD-GXFFZTMASA-N 0 3 291.351 2.314 20 5 CEBDHN Cc1nc(N2CCN(C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487053286 290329549 /nfs/dbraw/zinc/32/95/49/290329549.db2.gz ZZQOKXRVHFGUOI-CYBMUJFWSA-N 0 3 278.356 2.075 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(C)[C@H](C(C)C)C1 ZINC000487132660 290333150 /nfs/dbraw/zinc/33/31/50/290333150.db2.gz XPJUBOWLVQCVDX-ZDUSSCGKSA-N 0 3 278.356 2.075 20 5 CEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000531300116 298102525 /nfs/dbraw/zinc/10/25/25/298102525.db2.gz AQMUABPQRKDMMX-VXGBXAGGSA-N 0 3 291.351 2.084 20 5 CEBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000566777123 313868932 /nfs/dbraw/zinc/86/89/32/313868932.db2.gz NIAYXBKZRLVVAW-LLVKDONJSA-N 0 3 290.323 2.058 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(O)CCCC1 ZINC000571296784 314083994 /nfs/dbraw/zinc/08/39/94/314083994.db2.gz AZEUJMQITKNYTE-CYBMUJFWSA-N 0 3 276.336 2.477 20 5 CEBDHN C[C@@](O)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000571581173 314098252 /nfs/dbraw/zinc/09/82/52/314098252.db2.gz JMBSJKRDZYXYRX-DZGCQCFKSA-N 0 3 276.336 2.333 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(O)CCSC1 ZINC000580783372 322343977 /nfs/dbraw/zinc/34/39/77/322343977.db2.gz IIOOGLIHXZOAGA-GXTWGEPZSA-N 0 3 294.376 2.040 20 5 CEBDHN N[C@H]1CCCc2cn(Cc3cccc([N+](=O)[O-])c3)nc21 ZINC000581245780 322380392 /nfs/dbraw/zinc/38/03/92/322380392.db2.gz LNDTYEJLEFYVOY-ZDUSSCGKSA-N 0 3 272.308 2.176 20 5 CEBDHN CC[C@@H](N[C@@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280498 522909240 /nfs/dbraw/zinc/90/92/40/522909240.db2.gz QWWYPBBVKYGGTC-VARDARPISA-N 0 3 284.381 2.403 20 5 CEBDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000184804502 525553073 /nfs/dbraw/zinc/55/30/73/525553073.db2.gz OUNXMGCQEOVKSK-LEWSCRJBSA-N 0 3 291.351 2.290 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCCN2CCSCC2)cc1 ZINC000056284735 527371648 /nfs/dbraw/zinc/37/16/48/527371648.db2.gz JUPGELGSBDIOCJ-UHFFFAOYSA-N 0 3 282.365 2.413 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000364829224 527371777 /nfs/dbraw/zinc/37/17/77/527371777.db2.gz WAEVJANBZUAFQI-GASCZTMLSA-N 0 3 292.335 2.227 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1CCO ZINC000069251758 527403740 /nfs/dbraw/zinc/40/37/40/527403740.db2.gz MUAVYDRNIDLYSL-CYBMUJFWSA-N 0 3 294.351 2.211 20 5 CEBDHN Cc1nn(CN2CC[C@@H](C)[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000751941380 575301822 /nfs/dbraw/zinc/30/18/22/575301822.db2.gz NJFVEIRZDLTJSU-MWLCHTKSSA-N 0 3 289.339 2.336 20 5 CEBDHN CC(COC(=O)c1csc(-c2ccoc2)n1)[N+](=O)[O-] ZINC000813106103 623024796 /nfs/dbraw/zinc/02/47/96/623024796.db2.gz YHMZDASYASNDAE-ZETCQYMHSA-N 0 3 282.277 2.225 20 5 CEBDHN COc1cccc(Cl)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112728 623060708 /nfs/dbraw/zinc/06/07/08/623060708.db2.gz KBXFLJQRCMKVAF-QMMMGPOBSA-N 0 3 287.699 2.100 20 5 CEBDHN CC(COC(=O)C(F)(F)Cc1ccccc1)[N+](=O)[O-] ZINC000813113817 623066359 /nfs/dbraw/zinc/06/63/59/623066359.db2.gz JNUMSCTVNNTRTB-SECBINFHSA-N 0 3 273.235 2.073 20 5 CEBDHN CC(COC(=O)COc1ccc(F)c(Cl)c1)[N+](=O)[O-] ZINC000813115426 623082062 /nfs/dbraw/zinc/08/20/62/623082062.db2.gz RKRJCTFVDGZEER-ZETCQYMHSA-N 0 3 291.662 2.066 20 5 CEBDHN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000049963574 623275926 /nfs/dbraw/zinc/27/59/26/623275926.db2.gz CFRPZUUHHSOBSH-SNVBAGLBSA-N 0 3 269.732 2.042 20 5 CEBDHN CO[C@H]1CC[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000934126066 624248400 /nfs/dbraw/zinc/24/84/00/624248400.db2.gz SORFWEGBQYSDJU-STQMWFEESA-N 0 3 250.298 2.204 20 5 CEBDHN CCC1([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC000894682664 629587843 /nfs/dbraw/zinc/58/78/43/629587843.db2.gz DDVZEMATAGSIFA-UHFFFAOYSA-N 0 3 266.297 2.341 20 5 CEBDHN CCC1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000894682664 629587847 /nfs/dbraw/zinc/58/78/47/629587847.db2.gz DDVZEMATAGSIFA-UHFFFAOYSA-N 0 3 266.297 2.341 20 5 CEBDHN COc1cc(N[C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000895739066 630319633 /nfs/dbraw/zinc/31/96/33/630319633.db2.gz ATSUXOREZZOFQR-WPRPVWTQSA-N 0 3 283.303 2.247 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@]12CCc1ccccc12)[N+](=O)[O-] ZINC000813101773 632621153 /nfs/dbraw/zinc/62/11/53/632621153.db2.gz IMNPNAFZCQETEA-RIEGTJTDSA-N 0 3 275.304 2.099 20 5 CEBDHN CC(COC(=O)CCCc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813102349 632621608 /nfs/dbraw/zinc/62/16/08/632621608.db2.gz DWQRJDSCKHLRIB-VIFPVBQESA-N 0 3 287.262 2.496 20 5 CEBDHN Cc1ccccc1C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813102166 632621682 /nfs/dbraw/zinc/62/16/82/632621682.db2.gz CDHVAURWZDAISV-LLVKDONJSA-N 0 3 263.293 2.235 20 5 CEBDHN CC(COC(=O)C1(Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000813102039 632621770 /nfs/dbraw/zinc/62/17/70/632621770.db2.gz ADPDZGRCPSGPHO-NSHDSACASA-N 0 3 263.293 2.218 20 5 CEBDHN Cc1ccccc1C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813102167 632621950 /nfs/dbraw/zinc/62/19/50/632621950.db2.gz CDHVAURWZDAISV-NSHDSACASA-N 0 3 263.293 2.235 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000813104989 632622524 /nfs/dbraw/zinc/62/25/24/632622524.db2.gz IUCIHVHKQMQFTB-KPXOXKRLSA-N 0 3 267.256 2.138 20 5 CEBDHN CC(COC(=O)/C=C/c1ccc2[nH]ccc2c1)[N+](=O)[O-] ZINC000813105791 632623820 /nfs/dbraw/zinc/62/38/20/632623820.db2.gz UODFDRGBKKCPRM-RXNUUUNCSA-N 0 3 274.276 2.390 20 5 CEBDHN Cc1ccc(C)c(OCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105547 632623870 /nfs/dbraw/zinc/62/38/70/632623870.db2.gz OHSHIPNWAUPDCV-GFCCVEGCSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)[C@@H](C)OC1CCCCCC1)[N+](=O)[O-] ZINC000813107854 632624203 /nfs/dbraw/zinc/62/42/03/632624203.db2.gz XZCDQNBUCHASRU-GHMZBOCLSA-N 0 3 273.329 2.323 20 5 CEBDHN CC(COC(=O)c1sccc1Br)[N+](=O)[O-] ZINC000813108474 632625520 /nfs/dbraw/zinc/62/55/20/632625520.db2.gz YWCJKVKGYXKEPH-YFKPBYRVSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(C)c1ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108138 632625983 /nfs/dbraw/zinc/62/59/83/632625983.db2.gz AZVMPTJQBHHSSH-NSHDSACASA-N 0 3 281.308 2.397 20 5 CEBDHN CC(COC(=O)c1cccc([C@@H]2CCCOC2)c1)[N+](=O)[O-] ZINC000813109398 632626598 /nfs/dbraw/zinc/62/65/98/632626598.db2.gz RTOTZONCQJXCJG-SMDDNHRTSA-N 0 3 293.319 2.403 20 5 CEBDHN CC[C@@H](Oc1ccccc1F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112719 632627233 /nfs/dbraw/zinc/62/72/33/632627233.db2.gz JVHRPLHQGMXSST-GXSJLCMTSA-N 0 3 285.271 2.192 20 5 CEBDHN CCOc1ccc(SCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111094 632627642 /nfs/dbraw/zinc/62/76/42/632627642.db2.gz CGOYOBUMKYHBDU-SNVBAGLBSA-N 0 3 299.348 2.386 20 5 CEBDHN CC[C@@H](Oc1ccccc1F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112721 632628361 /nfs/dbraw/zinc/62/83/61/632628361.db2.gz JVHRPLHQGMXSST-MWLCHTKSSA-N 0 3 285.271 2.192 20 5 CEBDHN CC(COC(=O)c1ccccc1OC1CCC1)[N+](=O)[O-] ZINC000813112804 632628760 /nfs/dbraw/zinc/62/87/60/632628760.db2.gz LOSWJDXLBUFZKO-JTQLQIEISA-N 0 3 279.292 2.440 20 5 CEBDHN Cc1oc(-c2ccccc2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113274 632628781 /nfs/dbraw/zinc/62/87/81/632628781.db2.gz OZIQRSROHDUDSC-SECBINFHSA-N 0 3 290.275 2.472 20 5 CEBDHN CC([C@@H](OC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873230 641117500 /nfs/dbraw/zinc/11/75/00/641117500.db2.gz SFGGYBLFOBLTCN-QPUJVOFHSA-N 0 3 267.256 2.485 20 5 CEBDHN COc1ccc2c(c1)[C@H](C(=O)OCC(C)[N+](=O)[O-])CCC2 ZINC000847714086 641748580 /nfs/dbraw/zinc/74/85/80/641748580.db2.gz KCOALXAPJIPFIH-ZWNOBZJWSA-N 0 3 293.319 2.324 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1COC(C)(C)O1 ZINC000852039621 643274088 /nfs/dbraw/zinc/27/40/88/643274088.db2.gz WRMWCFQBWWANLU-ZDUSSCGKSA-N 0 3 294.351 2.221 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000852583561 643481651 /nfs/dbraw/zinc/48/16/51/643481651.db2.gz YDGOABCGTIHWOS-CHWSQXEVSA-N 0 3 280.299 2.127 20 5 CEBDHN Cc1cc(F)cc(C(=O)N2CC3CCC(C2)O3)c1[N+](=O)[O-] ZINC000758502311 644935803 /nfs/dbraw/zinc/93/58/03/644935803.db2.gz AQZGZGWGWSOSRI-PHIMTYICSA-N 0 3 294.282 2.046 20 5 CEBDHN CC(COC(=O)c1cccc(OC(C)(C)C)n1)[N+](=O)[O-] ZINC000860776289 645901625 /nfs/dbraw/zinc/90/16/25/645901625.db2.gz DHVQOLGFTOGMRN-VIFPVBQESA-N 0 3 282.296 2.081 20 5 CEBDHN CC(COC(=O)C1CCc2ccccc2CC1)[N+](=O)[O-] ZINC000860777199 645902442 /nfs/dbraw/zinc/90/24/42/645902442.db2.gz MDWVDEKKEBILPV-NSHDSACASA-N 0 3 277.320 2.390 20 5 CEBDHN O=[N+]([O-])CCN[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000791053843 648477155 /nfs/dbraw/zinc/47/71/55/648477155.db2.gz HZXJYMPFSPWQMZ-JSGCOSHPSA-N 0 3 264.325 2.021 20 5 CEBDHN CCCN(CC[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000791053681 648477309 /nfs/dbraw/zinc/47/73/09/648477309.db2.gz VUZMKRJIKBIEOT-VXGBXAGGSA-N 0 3 258.362 2.179 20 5 CEBDHN CC(COC(=O)c1nc(C(C)(C)C)cs1)[N+](=O)[O-] ZINC000870376455 648788976 /nfs/dbraw/zinc/78/89/76/648788976.db2.gz JVZVQYZFGDYWRD-SSDOTTSWSA-N 0 3 272.326 2.263 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CO ZINC000872023512 649244125 /nfs/dbraw/zinc/24/41/25/649244125.db2.gz HZTVXXCRHHHLMM-BDAKNGLRSA-N 0 3 270.354 2.348 20 5 CEBDHN Cc1c(CN[C@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000873015956 649531540 /nfs/dbraw/zinc/53/15/40/649531540.db2.gz CRMVUHLEHGZHMW-LLVKDONJSA-N 0 3 291.351 2.004 20 5 CEBDHN O=C1OCC[C@@H]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000873161815 649576142 /nfs/dbraw/zinc/57/61/42/649576142.db2.gz CIGZKSFAVLCUKT-JTQLQIEISA-N 0 3 284.337 2.089 20 5 CEBDHN CO[C@H]1COCC[C@H]1N(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000880435855 651440551 /nfs/dbraw/zinc/44/05/51/651440551.db2.gz WASZQTVTPKIMPR-HIFRSBDPSA-N 0 3 294.351 2.139 20 5 CEBDHN Cc1ccc(Cn2cc([C@H](N)C(C)C)nn2)cc1[N+](=O)[O-] ZINC000881212406 651634450 /nfs/dbraw/zinc/63/44/50/651634450.db2.gz PWGDDXRZGSZENA-CQSZACIVSA-N 0 3 289.339 2.199 20 5 CEBDHN CN1CCN(c2ccnc(F)c2[N+](=O)[O-])CCC1(C)C ZINC000882688766 652179680 /nfs/dbraw/zinc/17/96/80/652179680.db2.gz OIQPNHWDRDGBIB-UHFFFAOYSA-N 0 3 282.319 2.049 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCCN1C ZINC001120727208 815264185 /nfs/dbraw/zinc/26/41/85/815264185.db2.gz ROPMFKOJXNUJJD-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cccc(C2(N[C@@H]3CC[C@H](C[N+](=O)[O-])C3)COC2)c1 ZINC001168970749 811320222 /nfs/dbraw/zinc/32/02/22/811320222.db2.gz IYSOECQQPDVUQO-DZGCQCFKSA-N 0 3 290.363 2.256 20 5 CEBDHN C[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1nccs1 ZINC001168974679 811323816 /nfs/dbraw/zinc/32/38/16/811323816.db2.gz SGBORONWFCUZCJ-LPEHRKFASA-N 0 3 255.343 2.239 20 5 CEBDHN Cc1nc2c(s1)CN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169033657 811346996 /nfs/dbraw/zinc/34/69/96/811346996.db2.gz CZLWFXSSDQGZNH-MNOVXSKESA-N 0 3 281.381 2.255 20 5 CEBDHN CN1CCC[C@@H]2CN(c3cc(Cl)cc([N+](=O)[O-])n3)C[C@H]21 ZINC001157266732 812064553 /nfs/dbraw/zinc/06/45/53/812064553.db2.gz WJPSCQFUQACBRC-MWLCHTKSSA-N 0 3 296.758 2.174 20 5 CEBDHN COc1ccc(C[C@H](C)n2cncc2CN)c([N+](=O)[O-])c1 ZINC001170298437 812376636 /nfs/dbraw/zinc/37/66/36/812376636.db2.gz LWMHRNGOHLHISG-JTQLQIEISA-N 0 3 290.323 2.062 20 5 CEBDHN CCCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123575670 815533181 /nfs/dbraw/zinc/53/31/81/815533181.db2.gz YCPHAUMCNUKFGH-UHFFFAOYSA-N 0 3 293.367 2.381 20 5 CEBDHN CN1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000712581563 814753501 /nfs/dbraw/zinc/75/35/01/814753501.db2.gz NAIPFXZHTKZXBG-NSHDSACASA-N 0 3 269.732 2.042 20 5 CEBDHN CN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000712559724 814766414 /nfs/dbraw/zinc/76/64/14/814766414.db2.gz WJPAZDGTRPTPBO-SNVBAGLBSA-N 0 3 272.308 2.259 20 5 CEBDHN Cc1cncc([N+](=O)[O-])c1N[C@@H](C)CN1CCCCC1 ZINC001117281319 814913228 /nfs/dbraw/zinc/91/32/28/814913228.db2.gz QCXJNXKIIIAHGJ-LBPRGKRZSA-N 0 3 278.356 2.006 20 5 CEBDHN CCN1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226642 815631461 /nfs/dbraw/zinc/63/14/61/815631461.db2.gz NDTFELUMZAZWJN-CYBMUJFWSA-N 0 3 277.368 2.163 20 5 CEBDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037782984 361937323 /nfs/dbraw/zinc/93/73/23/361937323.db2.gz PMJDSXVZCRWTOT-NEPJUHHUSA-N 0 3 291.351 2.256 20 5 CEBDHN CO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000449495256 282257943 /nfs/dbraw/zinc/25/79/43/282257943.db2.gz HQYCIUIRUUPMET-BXUZGUMPSA-N 0 3 264.325 2.452 20 5 CEBDHN CCC[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000030270415 343404019 /nfs/dbraw/zinc/40/40/19/343404019.db2.gz ABTFHFRNBHHOKW-SNVBAGLBSA-N 0 3 279.340 2.314 20 5 CEBDHN CC[C@H](C)NC(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676109 343438144 /nfs/dbraw/zinc/43/81/44/343438144.db2.gz OCDFQLYHCGJMEM-NWDGAFQWSA-N 0 3 293.367 2.030 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(C2CC2)CC1 ZINC000127889163 187339278 /nfs/dbraw/zinc/33/92/78/187339278.db2.gz JWQPQHLGJLPCAV-HWKANZROSA-N 0 3 287.363 2.388 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCCC2)cc1 ZINC000048284016 343528450 /nfs/dbraw/zinc/52/84/50/343528450.db2.gz VURQHERGNARVNJ-UHFFFAOYSA-N 0 3 264.325 2.332 20 5 CEBDHN C[C@H]1CCCN(CCNc2ccncc2[N+](=O)[O-])C1 ZINC000066808980 343722379 /nfs/dbraw/zinc/72/23/79/343722379.db2.gz YCZIEZZTRDEFRM-NSHDSACASA-N 0 3 264.329 2.134 20 5 CEBDHN CNC(=O)C[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449601997 282300366 /nfs/dbraw/zinc/30/03/66/282300366.db2.gz NYMWSZBPZOURLV-VNKGSWCUSA-N 0 3 291.351 2.112 20 5 CEBDHN CNC(=O)c1ccc(N2CCc3cnccc32)c([N+](=O)[O-])c1 ZINC000175004830 529940574 /nfs/dbraw/zinc/94/05/74/529940574.db2.gz ARVRTNLZXBZYHK-UHFFFAOYSA-N 0 3 298.302 2.044 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000295086368 199338040 /nfs/dbraw/zinc/33/80/40/199338040.db2.gz RAUGVKPBBLQIEF-WDEREUQCSA-N 0 3 274.267 2.089 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCOC2)c(Cl)c1 ZINC000049963516 362387877 /nfs/dbraw/zinc/38/78/77/362387877.db2.gz NBVJCHRNXNLUIP-VIFPVBQESA-N 0 3 270.716 2.374 20 5 CEBDHN CC[C@H](C)CN(CC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602481180 347053198 /nfs/dbraw/zinc/05/31/98/347053198.db2.gz AKZDHVHOGJEQPC-JTQLQIEISA-N 0 3 254.334 2.196 20 5 CEBDHN CC(C)N1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770755 344551412 /nfs/dbraw/zinc/55/14/12/344551412.db2.gz CWSZYOKNYWMQOG-SECBINFHSA-N 0 3 270.358 2.194 20 5 CEBDHN COc1ccc(CN[C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000050373638 362416533 /nfs/dbraw/zinc/41/65/33/362416533.db2.gz ZFAKIDSNIANYDZ-DGCLKSJQSA-N 0 3 280.324 2.261 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](O)C1CCC1 ZINC000449742343 282349225 /nfs/dbraw/zinc/34/92/25/282349225.db2.gz YYNZNPZWPCGTDQ-UVCVVPOWSA-N 0 3 276.336 2.359 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1C[C@@H](O)C1 ZINC000449752405 282354510 /nfs/dbraw/zinc/35/45/10/282354510.db2.gz MWHAZHKHZQNIGQ-HLNBJZMBSA-N 0 3 262.309 2.111 20 5 CEBDHN CCN1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401157326 344866397 /nfs/dbraw/zinc/86/63/97/344866397.db2.gz JEWRNLDEFMDHMD-UHFFFAOYSA-N 0 3 268.292 2.025 20 5 CEBDHN Cc1c(CN2CC[C@H]3CN(C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590012835 345109804 /nfs/dbraw/zinc/10/98/04/345109804.db2.gz ZLIZBBQDBSBFLH-ZFWWWQNUSA-N 0 3 275.352 2.039 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](C)CO ZINC000273938133 192370368 /nfs/dbraw/zinc/37/03/68/192370368.db2.gz DAUOQCKDJWSRAK-VXGBXAGGSA-N 0 3 296.367 2.489 20 5 CEBDHN Cc1c(NC(=O)[C@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000591672928 345273422 /nfs/dbraw/zinc/27/34/22/345273422.db2.gz WPQHSZFOYHUUKX-SECBINFHSA-N 0 3 299.277 2.087 20 5 CEBDHN C[C@@H]1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CO1 ZINC000592380631 345347949 /nfs/dbraw/zinc/34/79/49/345347949.db2.gz WVPGCKAPHQBGHQ-DMBZQDCGSA-N 0 3 262.309 2.375 20 5 CEBDHN COc1cc(C[NH2+][C@@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000592380000 345348113 /nfs/dbraw/zinc/34/81/13/345348113.db2.gz HJHHDPUTCOHGDR-WCBMZHEXSA-N 0 3 298.364 2.293 20 5 CEBDHN Cc1cc(N(C)CCN2CCCCC2)ncc1[N+](=O)[O-] ZINC000593516678 345502116 /nfs/dbraw/zinc/50/21/16/345502116.db2.gz QDINIOSDNZFEBT-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@]1(O)CCOC1 ZINC000593721148 345527092 /nfs/dbraw/zinc/52/70/92/345527092.db2.gz ODEWYJWEPCWSFY-IUODEOHRSA-N 0 3 294.351 2.095 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593719504 345527442 /nfs/dbraw/zinc/52/74/42/345527442.db2.gz YZSQTJYVHXNJAB-ZYHUDNBSSA-N 0 3 270.304 2.274 20 5 CEBDHN CC1(C)C[C@H](NC/C=C/CO)c2cc([N+](=O)[O-])ccc21 ZINC000595071657 345739262 /nfs/dbraw/zinc/73/92/62/345739262.db2.gz PSILMJXAOMJVOP-XGACYXMMSA-N 0 3 276.336 2.455 20 5 CEBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594964642 345718753 /nfs/dbraw/zinc/71/87/53/345718753.db2.gz LLKHEDIIGTUDEK-SIFORAMQSA-N 0 3 296.392 2.374 20 5 CEBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3C[C@H](O)C3)o2)c1 ZINC000595000796 345723794 /nfs/dbraw/zinc/72/37/94/345723794.db2.gz LRNYVLNUOBZKMS-AULYBMBSSA-N 0 3 288.303 2.468 20 5 CEBDHN CC1(NCc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602580205 347087234 /nfs/dbraw/zinc/08/72/34/347087234.db2.gz FDYWEYOQHIMIRF-UHFFFAOYSA-N 0 3 291.307 2.395 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC(C)(C)O ZINC000595031661 345730973 /nfs/dbraw/zinc/73/09/73/345730973.db2.gz AWGAFTWYPUBOIQ-SNVBAGLBSA-N 0 3 282.340 2.415 20 5 CEBDHN Cc1c(CN2CCC3(COC3)C2)cccc1[N+](=O)[O-] ZINC000595833223 345890215 /nfs/dbraw/zinc/89/02/15/345890215.db2.gz BLAFUUMQECTLGU-UHFFFAOYSA-N 0 3 262.309 2.126 20 5 CEBDHN CSC[C@@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438638 232278931 /nfs/dbraw/zinc/27/89/31/232278931.db2.gz HUMCPHFIXLCROS-ZYHUDNBSSA-N 0 3 284.381 2.359 20 5 CEBDHN O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CCN(C3CC3)C2)c1 ZINC000596091541 345937782 /nfs/dbraw/zinc/93/77/82/345937782.db2.gz MYNCHDUUBLSBIS-GFCCVEGCSA-N 0 3 298.346 2.214 20 5 CEBDHN CC[C@H]1CCCC[N@@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596126041 345945320 /nfs/dbraw/zinc/94/53/20/345945320.db2.gz HXBSLUVAXROBND-NSHDSACASA-N 0 3 294.355 2.372 20 5 CEBDHN CC[C@H]1CCCC[N@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596126041 345945322 /nfs/dbraw/zinc/94/53/22/345945322.db2.gz HXBSLUVAXROBND-NSHDSACASA-N 0 3 294.355 2.372 20 5 CEBDHN CN1CC[C@@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596241942 345978156 /nfs/dbraw/zinc/97/81/56/345978156.db2.gz KWBDQWBVMFGMAG-CYBMUJFWSA-N 0 3 296.758 2.175 20 5 CEBDHN O=c1[n-]ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596298133 345993836 /nfs/dbraw/zinc/99/38/36/345993836.db2.gz UQSBXJJWKZOILP-PWSUYJOCSA-N 0 3 292.339 2.124 20 5 CEBDHN O=c1[n-]ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596298133 345993838 /nfs/dbraw/zinc/99/38/38/345993838.db2.gz UQSBXJJWKZOILP-PWSUYJOCSA-N 0 3 292.339 2.124 20 5 CEBDHN CC(C)(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000596334581 346002278 /nfs/dbraw/zinc/00/22/78/346002278.db2.gz CRKKDUDKBDBKQL-SECBINFHSA-N 0 3 282.319 2.414 20 5 CEBDHN Cc1nn(C)c(N[C@H](C)CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000596486899 346036132 /nfs/dbraw/zinc/03/61/32/346036132.db2.gz BKNFPKSCKFGHPB-LLVKDONJSA-N 0 3 295.387 2.169 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000597212325 346150359 /nfs/dbraw/zinc/15/03/59/346150359.db2.gz UJMHUNQNNMWHLF-FQDRTLPPSA-N 0 3 288.347 2.455 20 5 CEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N(C)C ZINC000273276960 192097972 /nfs/dbraw/zinc/09/79/72/192097972.db2.gz HPVNZTDKXOQLIB-ZKQHCESOSA-N 0 3 291.351 2.064 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](OC)C1 ZINC000599015376 346445986 /nfs/dbraw/zinc/44/59/86/346445986.db2.gz MAPBXUGBQFHQNZ-AULYBMBSSA-N 0 3 280.324 2.261 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000599985613 346589641 /nfs/dbraw/zinc/58/96/41/346589641.db2.gz HTLWSWDGDDWIDD-UHFFFAOYSA-N 0 3 291.351 2.151 20 5 CEBDHN CN1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184111 346780127 /nfs/dbraw/zinc/78/01/27/346780127.db2.gz HJZPESOPFPJPMJ-ZJUUUORDSA-N 0 3 296.758 2.031 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](N2CCCCC2)C1 ZINC000601116371 346756943 /nfs/dbraw/zinc/75/69/43/346756943.db2.gz RYNGXHJTRAARQX-GFCCVEGCSA-N 0 3 294.330 2.194 20 5 CEBDHN CC[C@@](C)(CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602733799 347177450 /nfs/dbraw/zinc/17/74/50/347177450.db2.gz WQUJTOLYWLBCSC-LSDHHAIUSA-N 0 3 296.367 2.207 20 5 CEBDHN C[C@@H]1CCCCN1CCNc1cccnc1[N+](=O)[O-] ZINC000603858322 347392485 /nfs/dbraw/zinc/39/24/85/347392485.db2.gz QPKVJSIHPHASKB-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN O=C(CCN1C[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762498 347712323 /nfs/dbraw/zinc/71/23/23/347712323.db2.gz QGGLPLHEKMLZMA-BXUZGUMPSA-N 0 3 289.335 2.408 20 5 CEBDHN Cc1nccn1CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000336839196 365909610 /nfs/dbraw/zinc/90/96/10/365909610.db2.gz ODZLQJBKRKLBLP-NSHDSACASA-N 0 3 274.324 2.451 20 5 CEBDHN COCCCN(C)CCNc1sccc1[N+](=O)[O-] ZINC000611412679 347776348 /nfs/dbraw/zinc/77/63/48/347776348.db2.gz DDPVDBWAWCQCGY-UHFFFAOYSA-N 0 3 273.358 2.037 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000611516762 347789363 /nfs/dbraw/zinc/78/93/63/347789363.db2.gz TUNZWLYFFNKSMT-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCC(C)CC1 ZINC000336849087 365925533 /nfs/dbraw/zinc/92/55/33/365925533.db2.gz PMYQBYGLPLTIEI-UHFFFAOYSA-N 0 3 295.387 2.263 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000612135269 347848500 /nfs/dbraw/zinc/84/85/00/347848500.db2.gz YELKZMNGMHDUPR-OICBVUGWSA-N 0 3 276.336 2.359 20 5 CEBDHN CCc1nc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000613066846 347968162 /nfs/dbraw/zinc/96/81/62/347968162.db2.gz APXZOVDBHHSCNS-SNVBAGLBSA-N 0 3 289.339 2.169 20 5 CEBDHN CCc1nnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000613066846 347968165 /nfs/dbraw/zinc/96/81/65/347968165.db2.gz APXZOVDBHHSCNS-SNVBAGLBSA-N 0 3 289.339 2.169 20 5 CEBDHN CCN(CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000273457159 192159333 /nfs/dbraw/zinc/15/93/33/192159333.db2.gz PWWZWIPAXVOFQU-UHFFFAOYSA-N 0 3 252.314 2.372 20 5 CEBDHN C[C@H]1[C@@H](CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000412087507 233335012 /nfs/dbraw/zinc/33/50/12/233335012.db2.gz OZIPSENTVWDVDX-WCQYABFASA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000069000776 362952777 /nfs/dbraw/zinc/95/27/77/362952777.db2.gz CCPICGISFDPUDY-SNVBAGLBSA-N 0 3 294.311 2.398 20 5 CEBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000092379982 180371814 /nfs/dbraw/zinc/37/18/14/180371814.db2.gz ZWGYJJCMMRSSOJ-SOFGYWHQSA-N 0 3 292.335 2.493 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCCN(C)C ZINC000339741622 215320737 /nfs/dbraw/zinc/32/07/37/215320737.db2.gz FXQWSXDGGLNJNB-UHFFFAOYSA-N 0 3 297.380 2.137 20 5 CEBDHN CCN(CCNCc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000106468958 186120616 /nfs/dbraw/zinc/12/06/16/186120616.db2.gz VMFBNDTUUKSHBK-UHFFFAOYSA-N 0 3 293.367 2.177 20 5 CEBDHN COc1ccc(CN[C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000130725819 365983980 /nfs/dbraw/zinc/98/39/80/365983980.db2.gz VDWGMERKRHVEAF-VIFPVBQESA-N 0 3 270.354 2.445 20 5 CEBDHN CCC[C@@H](N[C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018661 186345281 /nfs/dbraw/zinc/34/52/81/186345281.db2.gz URWVKBMRHJBSTL-TZMCWYRMSA-N 0 3 291.351 2.304 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000122828051 187054324 /nfs/dbraw/zinc/05/43/24/187054324.db2.gz LUCMONSOIVSWGF-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN CCN1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000239 363191295 /nfs/dbraw/zinc/19/12/95/363191295.db2.gz GIFOCUHNELKCGQ-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN CC(C)(NCCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000292264896 198223513 /nfs/dbraw/zinc/22/35/13/198223513.db2.gz ZAGWSLCVEVORSE-UHFFFAOYSA-N 0 3 274.324 2.316 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1C)[C@H](C)CO ZINC000292347841 198253869 /nfs/dbraw/zinc/25/38/69/198253869.db2.gz XGUPEZHAZDEUOQ-SNVBAGLBSA-N 0 3 252.314 2.106 20 5 CEBDHN CC(C)N1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000155749371 188224594 /nfs/dbraw/zinc/22/45/94/188224594.db2.gz ZYDDXHMZOADURY-FZMZJTMJSA-N 0 3 291.351 2.053 20 5 CEBDHN CCC[C@H](C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC000292689924 198377998 /nfs/dbraw/zinc/37/79/98/198377998.db2.gz NKJJZVKZTVMUTR-LBPRGKRZSA-N 0 3 293.367 2.237 20 5 CEBDHN C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000337231660 366093467 /nfs/dbraw/zinc/09/34/67/366093467.db2.gz XJBITOIGFJHFSL-UWVGGRQHSA-N 0 3 268.288 2.249 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000132043679 366113153 /nfs/dbraw/zinc/11/31/53/366113153.db2.gz BOWIUSPMQLMXOY-BPJJOFIESA-N 0 3 262.309 2.329 20 5 CEBDHN Cc1cc(N2CC[C@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749541 363382731 /nfs/dbraw/zinc/38/27/31/363382731.db2.gz SQTFIZHJQRATOJ-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CN1CC=C(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000271891739 191394106 /nfs/dbraw/zinc/39/41/06/191394106.db2.gz XESYZTLHDCIXHX-UHFFFAOYSA-N 0 3 265.288 2.408 20 5 CEBDHN C[C@H]1CCCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195163682 540203991 /nfs/dbraw/zinc/20/39/91/540203991.db2.gz HKVXZAPTDQVDKP-GXFFZTMASA-N 0 3 291.351 2.362 20 5 CEBDHN Cc1ccc(CNC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134701284 366353398 /nfs/dbraw/zinc/35/33/98/366353398.db2.gz HIJBXZFTZPGGPL-ZDUSSCGKSA-N 0 3 252.314 2.010 20 5 CEBDHN COc1cccc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000134917362 366372961 /nfs/dbraw/zinc/37/29/61/366372961.db2.gz OGVAHYMZCVAEHS-UHFFFAOYSA-N 0 3 265.313 2.111 20 5 CEBDHN COc1cccc(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000134928252 366376314 /nfs/dbraw/zinc/37/63/14/366376314.db2.gz DZFZVQPTMAAKPZ-WDEREUQCSA-N 0 3 279.340 2.498 20 5 CEBDHN C[C@@H]1C[C@@H](CNCc2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414513128 236394907 /nfs/dbraw/zinc/39/49/07/236394907.db2.gz JSAITIZYFMJQRX-MDZLAQPJSA-N 0 3 264.325 2.498 20 5 CEBDHN C[C@H](CO)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468475 366444096 /nfs/dbraw/zinc/44/40/96/366444096.db2.gz MQXBIYOUKNYPRW-VWYCJHECSA-N 0 3 252.314 2.262 20 5 CEBDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135465666 366444419 /nfs/dbraw/zinc/44/44/19/366444419.db2.gz PRSXVBCRTDROST-GWCFXTLKSA-N 0 3 252.314 2.262 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000417352625 237090955 /nfs/dbraw/zinc/09/09/55/237090955.db2.gz GOASHHQRIZUNAU-VHRBIJSZSA-N 0 3 264.325 2.467 20 5 CEBDHN Cc1c(CN2CCCN(C)CC2)cccc1[N+](=O)[O-] ZINC000297956130 200308941 /nfs/dbraw/zinc/30/89/41/200308941.db2.gz UCZXZAIBOKMAML-UHFFFAOYSA-N 0 3 263.341 2.041 20 5 CEBDHN CN(CCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000081589933 363732743 /nfs/dbraw/zinc/73/27/43/363732743.db2.gz BOVKMVWOBGOOMT-UHFFFAOYSA-N 0 3 287.323 2.044 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN(C)C2)n1 ZINC000178226240 189099367 /nfs/dbraw/zinc/09/93/67/189099367.db2.gz WSXVMNAPEZGWJF-LBPRGKRZSA-N 0 3 278.356 2.076 20 5 CEBDHN COC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183288646 189353564 /nfs/dbraw/zinc/35/35/64/189353564.db2.gz VWTMWWJJDDOCEY-LLVKDONJSA-N 0 3 280.324 2.144 20 5 CEBDHN Cc1cnc(N[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090824900 364067599 /nfs/dbraw/zinc/06/75/99/364067599.db2.gz GPPSUXDGOQVRIU-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN C[C@@H](O)CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093481199 364189874 /nfs/dbraw/zinc/18/98/74/364189874.db2.gz UOXCQWWRGVAURI-HOSRBBHYSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]3CCCC[C@H]32)c1 ZINC000245408410 370816325 /nfs/dbraw/zinc/81/63/25/370816325.db2.gz HBCWDINMAVUFKD-TZMCWYRMSA-N 0 3 278.356 2.446 20 5 CEBDHN Cn1ncc(Cl)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000275671175 193101641 /nfs/dbraw/zinc/10/16/41/193101641.db2.gz YWBRJDLKAUYSAD-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN Cc1c([C@H](C)NC[C@H]2CC[C@H](CO)O2)cccc1[N+](=O)[O-] ZINC000340418202 366878479 /nfs/dbraw/zinc/87/84/79/366878479.db2.gz UCQUBAZFAHGJFV-YNEHKIRRSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1cc(C(=O)NCC2(N(C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000275703268 193109315 /nfs/dbraw/zinc/10/93/15/193109315.db2.gz BTXCBCUWLVDKBL-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1ccc(CNC[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000275748893 193119449 /nfs/dbraw/zinc/11/94/49/193119449.db2.gz CUAJOYCPJQLHIK-LBPRGKRZSA-N 0 3 278.308 2.386 20 5 CEBDHN Cc1nc(NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000161550007 367095167 /nfs/dbraw/zinc/09/51/67/367095167.db2.gz NMPCICDLTRPELS-NSHDSACASA-N 0 3 264.329 2.052 20 5 CEBDHN COc1ccc(CN(C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000171040890 367467501 /nfs/dbraw/zinc/46/75/01/367467501.db2.gz WMTGSNBMUQSGEH-GFCCVEGCSA-N 0 3 280.324 2.072 20 5 CEBDHN Cc1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000171068167 367470263 /nfs/dbraw/zinc/47/02/63/367470263.db2.gz ZEIRPCGRGPNOTO-GFCCVEGCSA-N 0 3 292.339 2.071 20 5 CEBDHN CC[C@H](NC[C@@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358051542 370886674 /nfs/dbraw/zinc/88/66/74/370886674.db2.gz WODRHCBQGHGGDG-AEGPPILISA-N 0 3 294.351 2.033 20 5 CEBDHN Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343425704 367806883 /nfs/dbraw/zinc/80/68/83/367806883.db2.gz FBBUHQBDHPWUBA-DGCLKSJQSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCCN1C ZINC000343455512 367825989 /nfs/dbraw/zinc/82/59/89/367825989.db2.gz JDTSJYKZOIWQFY-RKDXNWHRSA-N 0 3 295.368 2.199 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000176230096 368214375 /nfs/dbraw/zinc/21/43/75/368214375.db2.gz CVZVHQGRJACXLR-QWRGUYRKSA-N 0 3 252.318 2.054 20 5 CEBDHN COC[C@H](C)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000178029907 368286266 /nfs/dbraw/zinc/28/62/66/368286266.db2.gz RFZQTYGUXLNVRS-LLVKDONJSA-N 0 3 252.314 2.309 20 5 CEBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000181656043 368479342 /nfs/dbraw/zinc/47/93/42/368479342.db2.gz BHIPNJJCCDORSU-NHYWBVRUSA-N 0 3 287.319 2.374 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000187103586 369101899 /nfs/dbraw/zinc/10/18/99/369101899.db2.gz YIIWNQFWUKZHAE-JMSVASOKSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C(F)(F)F)c(F)c1 ZINC000349329640 369298974 /nfs/dbraw/zinc/29/89/74/369298974.db2.gz IIQQGSNWBGCVDB-SNVBAGLBSA-N 0 3 296.220 2.137 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000188171172 369311054 /nfs/dbraw/zinc/31/10/54/369311054.db2.gz YMKWSRMJNDENIX-OAHLLOKOSA-N 0 3 294.351 2.126 20 5 CEBDHN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349962838 369467522 /nfs/dbraw/zinc/46/75/22/369467522.db2.gz HUFBVPDKSCZAGF-CYBMUJFWSA-N 0 3 250.298 2.124 20 5 CEBDHN CC[C@]1(CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000189631116 369549704 /nfs/dbraw/zinc/54/97/04/369549704.db2.gz WRDKQQGRGCXUCW-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN CC[C@@]1(CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000189657383 369554641 /nfs/dbraw/zinc/55/46/41/369554641.db2.gz IZCONUXESURAJT-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN COc1cc(CN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352400191 369711355 /nfs/dbraw/zinc/71/13/55/369711355.db2.gz PRKKULHZVZHCDN-SNVBAGLBSA-N 0 3 250.298 2.445 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CSC[C@@H]1C ZINC000352791828 369879964 /nfs/dbraw/zinc/87/99/64/369879964.db2.gz JFLUUHBCBCISKJ-JOYOIKCWSA-N 0 3 282.365 2.445 20 5 CEBDHN COc1cc(CN[C@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352881323 369929654 /nfs/dbraw/zinc/92/96/54/369929654.db2.gz IYZJFKNOZOXFJY-CQSZACIVSA-N 0 3 282.340 2.100 20 5 CEBDHN O=[N+]([O-])c1cnc(NCCCN2CCCCC2)s1 ZINC000195506558 370134925 /nfs/dbraw/zinc/13/49/25/370134925.db2.gz FYFYZZGETQAECV-UHFFFAOYSA-N 0 3 270.358 2.339 20 5 CEBDHN CC[C@@H](N[C@@H](CCO)COC)c1cccc([N+](=O)[O-])c1 ZINC000223966727 370275054 /nfs/dbraw/zinc/27/50/54/370275054.db2.gz KRMVUMLBTQTROA-GXTWGEPZSA-N 0 3 282.340 2.033 20 5 CEBDHN CN(CCCCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000227052979 370355468 /nfs/dbraw/zinc/35/54/68/370355468.db2.gz DQIOKQKUPQESDL-UHFFFAOYSA-N 0 3 270.304 2.328 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000230704241 370466150 /nfs/dbraw/zinc/46/61/50/370466150.db2.gz QOUBQOHLWWRXDU-LLVKDONJSA-N 0 3 252.339 2.498 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000247557994 371125784 /nfs/dbraw/zinc/12/57/84/371125784.db2.gz ZINYUUHTNAKCBK-MWLCHTKSSA-N 0 3 297.380 2.069 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H](C)O ZINC000361008814 371596228 /nfs/dbraw/zinc/59/62/28/371596228.db2.gz HHYMVISRRBAOCC-YTRUQHMWSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@]1(O)CCSC1 ZINC000255906378 371597883 /nfs/dbraw/zinc/59/78/83/371597883.db2.gz OFFKCRSCSKKNIH-MFBWXBCUSA-N 0 3 294.376 2.066 20 5 CEBDHN Cc1nc(NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000268515463 372124203 /nfs/dbraw/zinc/12/42/03/372124203.db2.gz TXLOOGMNOIYKLG-UHFFFAOYSA-N 0 3 276.340 2.337 20 5 CEBDHN C[C@H](NC[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353491678 220114645 /nfs/dbraw/zinc/11/46/45/220114645.db2.gz SLVFTKPXDJXOCF-GWCFXTLKSA-N 0 3 264.325 2.264 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631165 193713525 /nfs/dbraw/zinc/71/35/25/193713525.db2.gz YYZUNGBFPKIWTC-MWLCHTKSSA-N 0 3 291.307 2.251 20 5 CEBDHN CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270949240 373028853 /nfs/dbraw/zinc/02/88/53/373028853.db2.gz SOMTVJQHFHTTLL-MISXGVKJSA-N 0 3 264.325 2.359 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)C[S@](C)=O ZINC000344816572 217320360 /nfs/dbraw/zinc/32/03/60/217320360.db2.gz RULBQXPSAHZQHV-FLQNYUFMSA-N 0 3 296.392 2.355 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cccc3cc[nH]c32)c1 ZINC000345006192 217382467 /nfs/dbraw/zinc/38/24/67/217382467.db2.gz XYCSMDBSAWAXAB-UHFFFAOYSA-N 0 3 285.307 2.062 20 5 CEBDHN CC(C)(C)OCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373586345 374385876 /nfs/dbraw/zinc/38/58/76/374385876.db2.gz SFWSUETUZKLNPB-GFCCVEGCSA-N 0 3 296.371 2.243 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000374412064 374566463 /nfs/dbraw/zinc/56/64/63/374566463.db2.gz PPGXYOVQXACGCC-JSGCOSHPSA-N 0 3 276.336 2.453 20 5 CEBDHN COCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000283844161 375769506 /nfs/dbraw/zinc/76/95/06/375769506.db2.gz FQJYWLIJLVJMQW-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN CC[C@H](C)[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162577 375819693 /nfs/dbraw/zinc/81/96/93/375819693.db2.gz PWWSYMJRWZXFDH-PKFCDNJMSA-N 0 3 281.356 2.235 20 5 CEBDHN CS[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000286568161 375997748 /nfs/dbraw/zinc/99/77/48/375997748.db2.gz RFJACRBJBRTHEF-NEPJUHHUSA-N 0 3 299.371 2.216 20 5 CEBDHN CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286587382 376005295 /nfs/dbraw/zinc/00/52/95/376005295.db2.gz QNSIFOZTVCGOMS-CYBMUJFWSA-N 0 3 277.368 2.163 20 5 CEBDHN COc1ccc(CNCC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000264314903 190103358 /nfs/dbraw/zinc/10/33/58/190103358.db2.gz DXVRNEIXTJXHAA-JTQLQIEISA-N 0 3 268.313 2.118 20 5 CEBDHN CO[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311809016 376687213 /nfs/dbraw/zinc/68/72/13/376687213.db2.gz AUXUFNBMJMFHEM-PWSUYJOCSA-N 0 3 268.288 2.391 20 5 CEBDHN CCC[C@H](NC[C@@H](O)COCC)c1cccc([N+](=O)[O-])c1 ZINC000315323433 376797548 /nfs/dbraw/zinc/79/75/48/376797548.db2.gz MHAHCBZYYAPQIY-CABCVRRESA-N 0 3 296.367 2.423 20 5 CEBDHN CC[C@H](NCc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000293022921 377397481 /nfs/dbraw/zinc/39/74/81/377397481.db2.gz OZVIADCFXGBWBT-VIFPVBQESA-N 0 3 258.343 2.295 20 5 CEBDHN C[C@H]1CCC[C@@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000292983919 377381764 /nfs/dbraw/zinc/38/17/64/377381764.db2.gz LKZCYOBMZGHQIU-JOYOIKCWSA-N 0 3 270.354 2.297 20 5 CEBDHN CO[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000293202010 377469017 /nfs/dbraw/zinc/46/90/17/377469017.db2.gz XSDFANBAOSBAEW-AWEZNQCLSA-N 0 3 264.325 2.418 20 5 CEBDHN CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000295252495 378071771 /nfs/dbraw/zinc/07/17/71/378071771.db2.gz FFJHIWRSFGRZBK-GWCFXTLKSA-N 0 3 279.340 2.112 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCN1CCCO ZINC000450591478 378489926 /nfs/dbraw/zinc/48/99/26/378489926.db2.gz GAIJLZVAMULMCA-ZDUSSCGKSA-N 0 3 293.367 2.162 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000450793506 378583153 /nfs/dbraw/zinc/58/31/53/378583153.db2.gz OXEMZJUTDBCGPV-YPMHNXCESA-N 0 3 261.325 2.044 20 5 CEBDHN CS[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000296448853 378535336 /nfs/dbraw/zinc/53/53/36/378535336.db2.gz WLRDESVGVJWOOM-LLVKDONJSA-N 0 3 282.365 2.411 20 5 CEBDHN COC[C@@]1(C)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000296776060 378644768 /nfs/dbraw/zinc/64/47/68/378644768.db2.gz PYHSUSMDIWRUOE-HNNXBMFYSA-N 0 3 294.351 2.332 20 5 CEBDHN Cc1ccc(CNC[C@@](C)(O)c2ccco2)cc1[N+](=O)[O-] ZINC000266172389 190237155 /nfs/dbraw/zinc/23/71/55/190237155.db2.gz RQGPTTAXYPUHKY-OAHLLOKOSA-N 0 3 290.319 2.494 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413940 378894354 /nfs/dbraw/zinc/89/43/54/378894354.db2.gz WVKGDIUNAGHRRN-IAQYHMDHSA-N 0 3 291.351 2.223 20 5 CEBDHN O=C(Nc1cccc([N+](=O)[O-])c1)C12CCCN1CCC2 ZINC000278688841 194103446 /nfs/dbraw/zinc/10/34/46/194103446.db2.gz ZHPPDHKQNCPFLG-UHFFFAOYSA-N 0 3 275.308 2.162 20 5 CEBDHN CCOC1CC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278812838 194164668 /nfs/dbraw/zinc/16/46/68/194164668.db2.gz YSZQWLXXJUHJDD-UHFFFAOYSA-N 0 3 290.323 2.128 20 5 CEBDHN CCN1CCC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302570322 379397938 /nfs/dbraw/zinc/39/79/38/379397938.db2.gz QGNZKZRDLWONNY-NSHDSACASA-N 0 3 290.367 2.459 20 5 CEBDHN Cc1ccc(N2CCN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302788615 379450698 /nfs/dbraw/zinc/45/06/98/379450698.db2.gz XOMIXGFGDGHSGP-UHFFFAOYSA-N 0 3 261.325 2.188 20 5 CEBDHN CCOc1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302791542 379453951 /nfs/dbraw/zinc/45/39/51/379453951.db2.gz YMZHVCJOAFWNGK-UHFFFAOYSA-N 0 3 291.351 2.278 20 5 CEBDHN C[C@@]1(CO)CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000304314894 379552797 /nfs/dbraw/zinc/55/27/97/379552797.db2.gz KZGJKTNEQTZAMV-KGLIPLIRSA-N 0 3 264.325 2.236 20 5 CEBDHN CC(C)(CN1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457024683 379631445 /nfs/dbraw/zinc/63/14/45/379631445.db2.gz HJFWXOHNGOWPFE-UHFFFAOYSA-N 0 3 291.351 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCC2(F)CC2)cc1 ZINC000527227147 379737029 /nfs/dbraw/zinc/73/70/29/379737029.db2.gz KUOYEMRTTWMXRX-UHFFFAOYSA-N 0 3 254.261 2.065 20 5 CEBDHN Cc1cnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267889121 190360699 /nfs/dbraw/zinc/36/06/99/190360699.db2.gz RBYPPILHWSFJAU-MNOVXSKESA-N 0 3 276.340 2.335 20 5 CEBDHN COC(=O)C(C)(C)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000268273796 190392085 /nfs/dbraw/zinc/39/20/85/190392085.db2.gz HWGMLPDDLQLKKO-SNVBAGLBSA-N 0 3 280.324 2.445 20 5 CEBDHN C[C@H]1CCN(CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000540802469 380256791 /nfs/dbraw/zinc/25/67/91/380256791.db2.gz GCWGXUGALAEKDL-JTQLQIEISA-N 0 3 269.370 2.088 20 5 CEBDHN CN(C)C/C=C/C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000492061179 380434974 /nfs/dbraw/zinc/43/49/74/380434974.db2.gz YQGBVWIQUPHECC-AATRIKPKSA-N 0 3 291.351 2.064 20 5 CEBDHN CC(=O)c1cc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000288496107 197094865 /nfs/dbraw/zinc/09/48/65/197094865.db2.gz QAWFRVISMOTFLV-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C(C)(C)C ZINC000289347352 197306137 /nfs/dbraw/zinc/30/61/37/197306137.db2.gz FTEZYHIYIDUXHP-AWEZNQCLSA-N 0 3 280.368 2.476 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1N1CC[C@H](N2CCCC2)C1 ZINC000061858092 285077027 /nfs/dbraw/zinc/07/70/27/285077027.db2.gz QAFJDGINWCWPTN-NSHDSACASA-N 0 3 279.315 2.408 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CC[C@H](N2CCCCC2)C1 ZINC000264645675 285166489 /nfs/dbraw/zinc/16/64/89/285166489.db2.gz WGXNTRSJSUYTSO-LBPRGKRZSA-N 0 3 276.340 2.054 20 5 CEBDHN O=[N+]([O-])c1ccccc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089589 285164121 /nfs/dbraw/zinc/16/41/21/285164121.db2.gz KESYHTMKSYQKFM-GFCCVEGCSA-N 0 3 261.325 2.269 20 5 CEBDHN COCC[C@H](C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000414487258 533303530 /nfs/dbraw/zinc/30/35/30/533303530.db2.gz VEOXZVOWIJFHED-JTQLQIEISA-N 0 3 270.304 2.496 20 5 CEBDHN CC1(C)CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000084657611 135033887 /nfs/dbraw/zinc/03/38/87/135033887.db2.gz GAQVTOMFFCDPIO-UHFFFAOYSA-N 0 3 269.732 2.436 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(C[C@H]2C[C@@H](O)C2)C2CC2)cc1 ZINC000420951198 394452707 /nfs/dbraw/zinc/45/27/07/394452707.db2.gz RZBDDMCJWYGVHB-JNSHFYNHSA-N 0 3 276.336 2.330 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCSC1 ZINC000224409996 394465940 /nfs/dbraw/zinc/46/59/40/394465940.db2.gz NSPJWJHDADKCSU-SNVBAGLBSA-N 0 3 252.339 2.438 20 5 CEBDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272249940 394769176 /nfs/dbraw/zinc/76/91/76/394769176.db2.gz YBBGAANEJSETNB-SWLSCSKDSA-N 0 3 275.352 2.434 20 5 CEBDHN Nc1ccc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000285998560 394997813 /nfs/dbraw/zinc/99/78/13/394997813.db2.gz DFCDAKODSFLUBX-UHFFFAOYSA-N 0 3 276.340 2.216 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@]3(CCOC3)C2)c1 ZINC000153384609 395006269 /nfs/dbraw/zinc/00/62/69/395006269.db2.gz ZOYOBNYGTBZHIZ-AWEZNQCLSA-N 0 3 262.309 2.207 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CSC[C@H]1C ZINC000285885289 394979111 /nfs/dbraw/zinc/97/91/11/394979111.db2.gz JRGMQFJWKTTZMC-SKDRFNHKSA-N 0 3 282.365 2.445 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000346658858 395103098 /nfs/dbraw/zinc/10/30/98/395103098.db2.gz QBPBYNIVGLFAKX-UHFFFAOYSA-N 0 3 286.335 2.285 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000192674224 395389806 /nfs/dbraw/zinc/38/98/06/395389806.db2.gz NXWYAMJDRZXIHZ-GXSJLCMTSA-N 0 3 293.371 2.157 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000192674241 395389924 /nfs/dbraw/zinc/38/99/24/395389924.db2.gz NXWYAMJDRZXIHZ-ONGXEEELSA-N 0 3 293.371 2.157 20 5 CEBDHN CN(C)C(=O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192791603 395393146 /nfs/dbraw/zinc/39/31/46/395393146.db2.gz NGNDHVAOUNIUMU-AWEZNQCLSA-N 0 3 291.351 2.040 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCNc1ncc([N+](=O)[O-])s1 ZINC000443515407 395400677 /nfs/dbraw/zinc/40/06/77/395400677.db2.gz KDBFWNYCIILTJB-AOOOYVTPSA-N 0 3 284.385 2.148 20 5 CEBDHN CCC[C@@H](C)[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000566305287 395511494 /nfs/dbraw/zinc/51/14/94/395511494.db2.gz WMCOEHJJLGVNLO-BXUZGUMPSA-N 0 3 296.367 2.490 20 5 CEBDHN COCC1(N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566474389 395529146 /nfs/dbraw/zinc/52/91/46/395529146.db2.gz HESLPVRJAYWXJZ-LBPRGKRZSA-N 0 3 262.309 2.351 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCN1CCC1 ZINC000568648141 395565113 /nfs/dbraw/zinc/56/51/13/395565113.db2.gz UJABAYGGMADFRW-UHFFFAOYSA-N 0 3 293.367 2.179 20 5 CEBDHN CC(C)[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000293220456 400322527 /nfs/dbraw/zinc/32/25/27/400322527.db2.gz GSVPZNURISDAQS-ZDUSSCGKSA-N 0 3 266.341 2.436 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000226881632 153337526 /nfs/dbraw/zinc/33/75/26/153337526.db2.gz HZUJLQVVYNSADH-ONGXEEELSA-N 0 3 281.360 2.014 20 5 CEBDHN CNC(=O)C(C)(C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230145838 153381934 /nfs/dbraw/zinc/38/19/34/153381934.db2.gz CLXBXBCRIRKVIJ-UHFFFAOYSA-N 0 3 299.758 2.110 20 5 CEBDHN COc1ccc(CN[C@@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000230153269 153386066 /nfs/dbraw/zinc/38/60/66/153386066.db2.gz VIOCJEWEBOXERW-HZMBPMFUSA-N 0 3 280.324 2.261 20 5 CEBDHN COc1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315891 153388403 /nfs/dbraw/zinc/38/84/03/153388403.db2.gz GYPPYWURVIBLIC-SWLSCSKDSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCC3)CC2)n1 ZINC000368603006 156374218 /nfs/dbraw/zinc/37/42/18/156374218.db2.gz LVLWBLOPXILIKS-UHFFFAOYSA-N 0 3 264.329 2.057 20 5 CEBDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160355110 286675725 /nfs/dbraw/zinc/67/57/25/286675725.db2.gz BTHIGCUNEXGWRO-CMPLNLGQSA-N 0 3 284.381 2.359 20 5 CEBDHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338435 196254253 /nfs/dbraw/zinc/25/42/53/196254253.db2.gz URMGKHKYQXZCMA-GUBZILKMSA-N 0 3 267.329 2.251 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000604229554 414821666 /nfs/dbraw/zinc/82/16/66/414821666.db2.gz UKEMDJKVZOAMGD-LLVKDONJSA-N 0 3 292.339 2.119 20 5 CEBDHN COCCOCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044693927 175234580 /nfs/dbraw/zinc/23/45/80/175234580.db2.gz DMYDRGIVMXGESS-LBPRGKRZSA-N 0 3 282.340 2.217 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCCN(C)C ZINC000072261741 176351553 /nfs/dbraw/zinc/35/15/53/176351553.db2.gz IRPJHERUVVFSSQ-UHFFFAOYSA-N 0 3 297.380 2.137 20 5 CEBDHN CC[C@@](C)(CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000077111506 177225429 /nfs/dbraw/zinc/22/54/29/177225429.db2.gz RZFSPSDDBKMSKE-ZDUSSCGKSA-N 0 3 252.314 2.154 20 5 CEBDHN CC(C)N(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000077357972 177257051 /nfs/dbraw/zinc/25/70/51/177257051.db2.gz LVWREVFCKYUJLB-UHFFFAOYSA-N 0 3 291.351 2.457 20 5 CEBDHN CC1(C)C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000396928172 270350465 /nfs/dbraw/zinc/35/04/65/270350465.db2.gz NJPXFWNLTLVYQK-LLVKDONJSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H](O)[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000305162227 270332730 /nfs/dbraw/zinc/33/27/30/270332730.db2.gz FZGRUZYYAUQXEI-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CC1(C)C[C@@H](N[C@@H]2CC[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000424318139 271043874 /nfs/dbraw/zinc/04/38/74/271043874.db2.gz CNYNNQKREPBTLA-MGPQQGTHSA-N 0 3 276.336 2.430 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nnc[nH]2)C1 ZINC000425551619 271168666 /nfs/dbraw/zinc/16/86/66/271168666.db2.gz QNFFAVOFDOOUOI-PWSUYJOCSA-N 0 3 287.323 2.263 20 5 CEBDHN CC[C@]1(O)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000428445604 271266883 /nfs/dbraw/zinc/26/68/83/271266883.db2.gz GTXFFSWOOGCKNW-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430224640 271364325 /nfs/dbraw/zinc/36/43/25/271364325.db2.gz WDCXHQBHUZTELN-CYBMUJFWSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@@H](CC(N)=O)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316232 274207862 /nfs/dbraw/zinc/20/78/62/274207862.db2.gz UCNDRQGULFUBOM-HZMBPMFUSA-N 0 3 291.351 2.216 20 5 CEBDHN CCS[C@H]1CCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000348482411 276512706 /nfs/dbraw/zinc/51/27/06/276512706.db2.gz VZGPVMCKISZANP-KOLCDFICSA-N 0 3 284.385 2.092 20 5 CEBDHN C[C@H](O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321108 280060391 /nfs/dbraw/zinc/06/03/91/280060391.db2.gz ZLDUMZZZAXAEEV-RYUDHWBXSA-N 0 3 264.325 2.188 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCCN(C)C3)n1 ZINC000292680604 281014183 /nfs/dbraw/zinc/01/41/83/281014183.db2.gz DPJWNJMOOHNVAJ-OAHLLOKOSA-N 0 3 290.367 2.220 20 5 CEBDHN CC(C)(NCC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000429246085 281230513 /nfs/dbraw/zinc/23/05/13/281230513.db2.gz QOGUSPJXDPLSLU-UHFFFAOYSA-N 0 3 264.325 2.456 20 5 CEBDHN C[C@@H](N[C@@H](CO)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000429462437 281239012 /nfs/dbraw/zinc/23/90/12/281239012.db2.gz BGRHWAZNKFLRSZ-PSASIEDQSA-N 0 3 274.267 2.262 20 5 CEBDHN C[C@H]1C[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000488343586 290391389 /nfs/dbraw/zinc/39/13/89/290391389.db2.gz GCUGQPXMFIGSHM-STQMWFEESA-N 0 3 275.352 2.373 20 5 CEBDHN CSC[C@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000160354983 295623520 /nfs/dbraw/zinc/62/35/20/295623520.db2.gz BTHIGCUNEXGWRO-PWSUYJOCSA-N 0 3 284.381 2.359 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)NC(C)C ZINC000536883180 298206841 /nfs/dbraw/zinc/20/68/41/298206841.db2.gz RNCYOKPAINXMRK-LBPRGKRZSA-N 0 3 293.367 2.469 20 5 CEBDHN CCO[C@@H]1C[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000571368711 314085524 /nfs/dbraw/zinc/08/55/24/314085524.db2.gz XTUHJKPFQXQZEG-RCOIXESOSA-N 0 3 262.309 2.375 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000383797385 321849429 /nfs/dbraw/zinc/84/94/29/321849429.db2.gz YAXJBHGPKKNPGJ-SMDDNHRTSA-N 0 3 282.315 2.375 20 5 CEBDHN CC[C@H](N[C@H](C)C[S@](C)=O)c1cccc([N+](=O)[O-])c1 ZINC000184280519 522736290 /nfs/dbraw/zinc/73/62/90/522736290.db2.gz QWWYPBBVKYGGTC-KRDDEPHXSA-N 0 3 284.381 2.403 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(CC1)OCCO2 ZINC000183252170 525564031 /nfs/dbraw/zinc/56/40/31/525564031.db2.gz RNFOMBZGDIYDJU-UHFFFAOYSA-N 0 3 292.335 2.242 20 5 CEBDHN O=[N+]([O-])c1cnn([C@@H]2CCCN(CCCCF)C2)c1 ZINC000367513188 527415328 /nfs/dbraw/zinc/41/53/28/527415328.db2.gz JREBVMJNVYGYRM-LLVKDONJSA-N 0 3 270.308 2.178 20 5 CEBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000733166504 574646845 /nfs/dbraw/zinc/64/68/45/574646845.db2.gz QXBBWZSIDYBHBF-ZDUSSCGKSA-N 0 3 297.330 2.050 20 5 CEBDHN Cc1ccc(CN[C@H]2COC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268996 567924178 /nfs/dbraw/zinc/92/41/78/567924178.db2.gz AZXKKJXZEHVNGI-KGLIPLIRSA-N 0 3 276.336 2.418 20 5 CEBDHN CN1CCC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740004264 574938743 /nfs/dbraw/zinc/93/87/43/574938743.db2.gz MEZZTYRKUSKYDK-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN COCCOC[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000742377607 575018425 /nfs/dbraw/zinc/01/84/25/575018425.db2.gz WHYKXFKUNUKHLR-GFCCVEGCSA-N 0 3 282.340 2.044 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccsc2)c1 ZINC000749677553 575229220 /nfs/dbraw/zinc/22/92/20/575229220.db2.gz PCCSNBCCZOKEBL-ZDUSSCGKSA-N 0 3 278.333 2.480 20 5 CEBDHN Cc1nc(CC2CC2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104787 623022540 /nfs/dbraw/zinc/02/25/40/623022540.db2.gz HKHFOFLNQJBYFX-ZETCQYMHSA-N 0 3 284.337 2.226 20 5 CEBDHN CC(COC(=O)[C@@H](C)OC1CCCCCC1)[N+](=O)[O-] ZINC000813107860 623035760 /nfs/dbraw/zinc/03/57/60/623035760.db2.gz XZCDQNBUCHASRU-WDEREUQCSA-N 0 3 273.329 2.323 20 5 CEBDHN CC(COC(=O)Cc1cc2ccccc2o1)[N+](=O)[O-] ZINC000813110285 623045940 /nfs/dbraw/zinc/04/59/40/623045940.db2.gz WNHHBMRNTDUDQG-VIFPVBQESA-N 0 3 263.249 2.184 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Cl ZINC000813115688 623086448 /nfs/dbraw/zinc/08/64/48/623086448.db2.gz XXQVGRFRWHDLQK-QMMMGPOBSA-N 0 3 257.673 2.470 20 5 CEBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000022815015 624230257 /nfs/dbraw/zinc/23/02/57/624230257.db2.gz LATMAJBYYKDENT-UHFFFAOYSA-N 0 3 280.284 2.011 20 5 CEBDHN COCCOC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479549 624777394 /nfs/dbraw/zinc/77/73/94/624777394.db2.gz IOWNBVJTIPUBQC-VXGBXAGGSA-N 0 3 282.340 2.297 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000892572565 627281927 /nfs/dbraw/zinc/28/19/27/627281927.db2.gz ZNFFWLMDJKNISG-WCBMZHEXSA-N 0 3 266.297 2.055 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000892572560 627282068 /nfs/dbraw/zinc/28/20/68/627282068.db2.gz ZNFFWLMDJKNISG-PSASIEDQSA-N 0 3 266.297 2.055 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC[C@@H]1C ZINC000744351627 627303262 /nfs/dbraw/zinc/30/32/62/627303262.db2.gz VWMMGWZTLZDQTE-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1ccncc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000162751810 628518830 /nfs/dbraw/zinc/51/88/30/628518830.db2.gz ZEEPYCPEDLPUAW-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN CN1C[C@]2(C)CN(c3sccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000894798395 629647012 /nfs/dbraw/zinc/64/70/12/629647012.db2.gz UNFNQVVCRKSHBF-CHWSQXEVSA-N 0 3 281.381 2.434 20 5 CEBDHN CC(C)c1ccc(CNC[C@H]2COCO2)cc1[N+](=O)[O-] ZINC000894870841 629708167 /nfs/dbraw/zinc/70/81/67/629708167.db2.gz NVJPTBUGFUEPIF-LBPRGKRZSA-N 0 3 280.324 2.181 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000895125049 629928783 /nfs/dbraw/zinc/92/87/83/629928783.db2.gz OFIPJWRHJZFRRQ-WCBMZHEXSA-N 0 3 298.364 2.293 20 5 CEBDHN COc1c(O)ccc(CN[C@@H]2CCS[C@H]2C)c1[N+](=O)[O-] ZINC000895125049 629928786 /nfs/dbraw/zinc/92/87/86/629928786.db2.gz OFIPJWRHJZFRRQ-WCBMZHEXSA-N 0 3 298.364 2.293 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC2(C3(O)CCC3)CC2)cs1 ZINC000897530224 631670682 /nfs/dbraw/zinc/67/06/82/631670682.db2.gz CGMRNHOPJHKGSO-UHFFFAOYSA-N 0 3 282.365 2.441 20 5 CEBDHN CC(COC(=O)Cc1c(F)cccc1Cl)[N+](=O)[O-] ZINC000813100881 632621225 /nfs/dbraw/zinc/62/12/25/632621225.db2.gz XPJIVWNVCNAMIN-ZETCQYMHSA-N 0 3 275.663 2.230 20 5 CEBDHN CC(C)C[C@H](C)OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102856 632622012 /nfs/dbraw/zinc/62/20/12/632622012.db2.gz KKVHZVQUSJECBJ-QWRGUYRKSA-N 0 3 261.318 2.036 20 5 CEBDHN CC(COC(=O)c1ccc2[nH]c(C(F)F)nc2c1)[N+](=O)[O-] ZINC000813102279 632622178 /nfs/dbraw/zinc/62/21/78/632622178.db2.gz DBNKCRCCHPHOKE-ZCFIWIBFSA-N 0 3 299.233 2.323 20 5 CEBDHN COc1cccc(/C(C)=C\C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104496 632622595 /nfs/dbraw/zinc/62/25/95/632622595.db2.gz NHOAVKMULPXIBQ-ZJRUKIMVSA-N 0 3 279.292 2.307 20 5 CEBDHN CC(COC(=O)[C@H](C)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107455 632624370 /nfs/dbraw/zinc/62/43/70/632624370.db2.gz NRVCCKPFXINJKK-NXEZZACHSA-N 0 3 269.272 2.213 20 5 CEBDHN CC(COC(=O)c1ccc(Cl)cc1F)[N+](=O)[O-] ZINC000813107151 632624793 /nfs/dbraw/zinc/62/47/93/632624793.db2.gz KYHATYLJJKSXRT-ZCFIWIBFSA-N 0 3 261.636 2.301 20 5 CEBDHN Cc1cnn(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)c1 ZINC000813107267 632624863 /nfs/dbraw/zinc/62/48/63/632624863.db2.gz OCHAIIBPTCIXGO-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN CC(COC(=O)C[C@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813108977 632625662 /nfs/dbraw/zinc/62/56/62/632625662.db2.gz NJCQJJGEWQENBX-JGVFFNPUSA-N 0 3 251.229 2.020 20 5 CEBDHN Cc1ccn(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC000813110718 632626371 /nfs/dbraw/zinc/62/63/71/632626371.db2.gz IBDAKSLGTUEFJT-NSHDSACASA-N 0 3 289.291 2.003 20 5 CEBDHN CC[C@H](Oc1ccccc1F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112720 632627656 /nfs/dbraw/zinc/62/76/56/632627656.db2.gz JVHRPLHQGMXSST-KOLCDFICSA-N 0 3 285.271 2.192 20 5 CEBDHN COc1cc([C@@H](C)NC[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157322 634992160 /nfs/dbraw/zinc/99/21/60/634992160.db2.gz DDAXMGQOJIFOKR-NXEZZACHSA-N 0 3 268.313 2.289 20 5 CEBDHN CC[C@@H](N[C@@H]1COCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000903299111 635046370 /nfs/dbraw/zinc/04/63/70/635046370.db2.gz FCLYXYYNAMUKHX-RBSFLKMASA-N 0 3 294.351 2.439 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCN1C ZINC000824898254 635520456 /nfs/dbraw/zinc/52/04/56/635520456.db2.gz KKHRLXDUESTQEL-GFCCVEGCSA-N 0 3 291.351 2.036 20 5 CEBDHN Cc1ccc(CNC(=O)C2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000825640270 635682771 /nfs/dbraw/zinc/68/27/71/635682771.db2.gz BGUBVIDAAJTSFO-UHFFFAOYSA-N 0 3 291.351 2.004 20 5 CEBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCC(=O)N1 ZINC000835061729 638045093 /nfs/dbraw/zinc/04/50/93/638045093.db2.gz VLEFPBUOWWRTKX-CYBMUJFWSA-N 0 3 297.742 2.007 20 5 CEBDHN CC(C)c1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835457713 638263779 /nfs/dbraw/zinc/26/37/79/638263779.db2.gz ZQNZMJQPLAOGHF-SSDOTTSWSA-N 0 3 258.299 2.089 20 5 CEBDHN C[C@H](NC[C@H]1COC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000230210381 639746516 /nfs/dbraw/zinc/74/65/16/639746516.db2.gz BJENWCKURXPKER-GWCFXTLKSA-N 0 3 280.324 2.397 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](C)C[C@H](O)C1 ZINC000877576165 650796746 /nfs/dbraw/zinc/79/67/46/650796746.db2.gz IVPOAEVGSBXXCL-MFKMUULPSA-N 0 3 278.352 2.414 20 5 CEBDHN COC(OC)[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000922312459 643020477 /nfs/dbraw/zinc/02/04/77/643020477.db2.gz YYZJAHIYYBWIHC-LXSSAFMLSA-N 0 3 280.324 2.205 20 5 CEBDHN Cc1ccc(CNC2CC(n3cc([N+](=O)[O-])cn3)C2)o1 ZINC000877697563 650855400 /nfs/dbraw/zinc/85/54/00/650855400.db2.gz KXNPPWZGOACXRL-UHFFFAOYSA-N 0 3 276.296 2.186 20 5 CEBDHN CSc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000853126093 643667791 /nfs/dbraw/zinc/66/77/91/643667791.db2.gz AZHJUNZKVGSNTO-SSDOTTSWSA-N 0 3 259.283 2.132 20 5 CEBDHN CCO[C@@]1(C)C[C@H]1N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858501918 645182798 /nfs/dbraw/zinc/18/27/98/645182798.db2.gz FCMZWIYVVFCEER-FZZIBODNSA-N 0 3 279.340 2.395 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163588 645721683 /nfs/dbraw/zinc/72/16/83/645721683.db2.gz AYXRXHLQFOEUMX-JTNHKYCSSA-N 0 3 290.319 2.069 20 5 CEBDHN C[C@H]1OCC[C@@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302932 651059960 /nfs/dbraw/zinc/05/99/60/651059960.db2.gz BDCACFHUYVPRAT-VXGBXAGGSA-N 0 3 276.336 2.378 20 5 CEBDHN C[C@@H]1C[C@@H](C)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791565110 648543872 /nfs/dbraw/zinc/54/38/72/648543872.db2.gz FGOXLLXZMHUVFM-BREBYQMCSA-N 0 3 250.298 2.111 20 5 CEBDHN CC(COC(=O)c1cc2c(ccnc2Cl)o1)[N+](=O)[O-] ZINC000870376335 648788903 /nfs/dbraw/zinc/78/89/03/648788903.db2.gz GRBVOZCWCHMZFW-LURJTMIESA-N 0 3 284.655 2.303 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCO ZINC000872016513 649242161 /nfs/dbraw/zinc/24/21/61/649242161.db2.gz KKXFLHXOSPBAIG-SECBINFHSA-N 0 3 270.354 2.350 20 5 CEBDHN C[C@H](CCO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040102 649250880 /nfs/dbraw/zinc/25/08/80/649250880.db2.gz JMIHNNBGHOSRQT-ZJUUUORDSA-N 0 3 270.304 2.403 20 5 CEBDHN C[C@@H](N[C@@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129532 649287920 /nfs/dbraw/zinc/28/79/20/649287920.db2.gz KDHWMTGIGNGTCF-AXFHLTTASA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOCCF ZINC000873140839 649568159 /nfs/dbraw/zinc/56/81/59/649568159.db2.gz VCJHLSBWCXETFC-UHFFFAOYSA-N 0 3 270.304 2.287 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](CF)C2)cc1 ZINC000880237231 651406185 /nfs/dbraw/zinc/40/61/85/651406185.db2.gz UACPEASFLOVVFJ-BXUZGUMPSA-N 0 3 282.315 2.310 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](CF)C2)c1 ZINC000880237049 651406445 /nfs/dbraw/zinc/40/64/45/651406445.db2.gz PAOFQSXOXHIQJD-SMDDNHRTSA-N 0 3 282.315 2.310 20 5 CEBDHN CC(=O)c1c(N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000882364476 652046155 /nfs/dbraw/zinc/04/61/55/652046155.db2.gz QUWLJEOBJYYVIT-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CCN1CC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000883356955 652441188 /nfs/dbraw/zinc/44/11/88/652441188.db2.gz ZIMFQRPXIIOVDS-YPMHNXCESA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc(C)c([N+](=O)[O-])cc1N[C@H]1CCN(C)C1 ZINC001167278838 802626380 /nfs/dbraw/zinc/62/63/80/802626380.db2.gz UYCUQJGNFWOJBR-JTQLQIEISA-N 0 3 265.313 2.028 20 5 CEBDHN N[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001118263138 814998674 /nfs/dbraw/zinc/99/86/74/814998674.db2.gz AYJZLDZKAPWEJI-CQSZACIVSA-N 0 3 291.351 2.119 20 5 CEBDHN C[C@H](N[C@@H]1COC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000710896474 809999379 /nfs/dbraw/zinc/99/93/79/809999379.db2.gz BGDJOGJQVANBGR-JFGNBEQYSA-N 0 3 250.298 2.280 20 5 CEBDHN CC(C)C[C@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122167156 815389928 /nfs/dbraw/zinc/38/99/28/815389928.db2.gz QMLFBVMFJVNFQZ-MFKMUULPSA-N 0 3 279.340 2.145 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2nc3ccccc3o2)C1 ZINC001168959140 811314492 /nfs/dbraw/zinc/31/44/92/811314492.db2.gz UADSLITXLUIWHO-MNOVXSKESA-N 0 3 275.308 2.363 20 5 CEBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168967480 811318587 /nfs/dbraw/zinc/31/85/87/811318587.db2.gz PWSCQMNZNZOVJS-ZWNOBZJWSA-N 0 3 280.299 2.043 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC3(C2)CC(F)(F)CS3)C1 ZINC001169037029 811345934 /nfs/dbraw/zinc/34/59/34/811345934.db2.gz HWAJQVUCTQSSOM-ZJUUUORDSA-N 0 3 292.351 2.258 20 5 CEBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1ccc([C@@H](C)N)n1 ZINC001169232406 811445520 /nfs/dbraw/zinc/44/55/20/811445520.db2.gz FACYGTSLFCBXBC-SECBINFHSA-N 0 3 276.296 2.117 20 5 CEBDHN C[C@H](N)c1ccn(-c2cc(F)cc(F)c2[N+](=O)[O-])n1 ZINC001169232202 811445811 /nfs/dbraw/zinc/44/58/11/811445811.db2.gz ASFWCRGFGWNNBI-LURJTMIESA-N 0 3 268.223 2.078 20 5 CEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnco1 ZINC001173212927 815635505 /nfs/dbraw/zinc/63/55/05/815635505.db2.gz CUYOSINGFXXKGD-JTQLQIEISA-N 0 3 261.281 2.304 20 5 CEBDHN CCOC(=O)C1(C)CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000601269359 346807178 /nfs/dbraw/zinc/80/71/78/346807178.db2.gz YSSKPUKKUAPYFA-UHFFFAOYSA-N 0 3 292.335 2.416 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@H](CO)C1 ZINC000601291821 346813900 /nfs/dbraw/zinc/81/39/00/346813900.db2.gz ODMOCVYMBPRCTM-GARJFASQSA-N 0 3 280.324 2.025 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000601292316 346814008 /nfs/dbraw/zinc/81/40/08/346814008.db2.gz URTHQKYDTFDVLG-UTUOFQBUSA-N 0 3 264.325 2.325 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000079914581 343993981 /nfs/dbraw/zinc/99/39/81/343993981.db2.gz PKRNPSWSIWTLKC-LLVKDONJSA-N 0 3 264.329 2.134 20 5 CEBDHN CC[C@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000096478397 529378054 /nfs/dbraw/zinc/37/80/54/529378054.db2.gz OOCFEKOITVNQQS-ZDUSSCGKSA-N 0 3 252.314 2.154 20 5 CEBDHN Cc1ccc(NC(=O)C2(N)CCCC2)cc1[N+](=O)[O-] ZINC000037616077 361911393 /nfs/dbraw/zinc/91/13/93/361911393.db2.gz IBRWLRPNKKAONK-UHFFFAOYSA-N 0 3 263.297 2.113 20 5 CEBDHN CCC[C@](C)(N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810261 361948583 /nfs/dbraw/zinc/94/85/83/361948583.db2.gz MHDDGEHLQZXZTO-AWEZNQCLSA-N 0 3 279.340 2.071 20 5 CEBDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000125931855 187205426 /nfs/dbraw/zinc/20/54/26/187205426.db2.gz GNHSFGRCMVLZLU-OLZOCXBDSA-N 0 3 292.335 2.416 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449507326 282262859 /nfs/dbraw/zinc/26/28/59/282262859.db2.gz LVTJPILQLJUPSS-ZBFHGGJFSA-N 0 3 290.363 2.482 20 5 CEBDHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000072924780 343815465 /nfs/dbraw/zinc/81/54/65/343815465.db2.gz IEMGIKLDHJHYFX-ZDUSSCGKSA-N 0 3 252.314 2.355 20 5 CEBDHN CC(C)N1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000075693534 343863107 /nfs/dbraw/zinc/86/31/07/343863107.db2.gz LVMTXJVWOYNCMO-UHFFFAOYSA-N 0 3 297.380 2.213 20 5 CEBDHN Cc1ccc([C@@H](C)NCCn2cccn2)cc1[N+](=O)[O-] ZINC000049074983 362332110 /nfs/dbraw/zinc/33/21/10/362332110.db2.gz LGBHXZJSACGBSN-GFCCVEGCSA-N 0 3 274.324 2.451 20 5 CEBDHN CN(C)C(=O)C(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000108422514 344265102 /nfs/dbraw/zinc/26/51/02/344265102.db2.gz JVWFGGQOOARGPR-VQHVLOKHSA-N 0 3 291.351 2.064 20 5 CEBDHN Cn1cc(CN2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000602465550 347044182 /nfs/dbraw/zinc/04/41/82/347044182.db2.gz RVLQSNUVVKSRTF-GFCCVEGCSA-N 0 3 264.329 2.093 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172232172 529965455 /nfs/dbraw/zinc/96/54/55/529965455.db2.gz VIMNVDIQBODHON-JTQLQIEISA-N 0 3 297.380 2.070 20 5 CEBDHN CCN[C@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602468125 347044985 /nfs/dbraw/zinc/04/49/85/347044985.db2.gz UGNSTZIXBLFCJI-WDEREUQCSA-N 0 3 279.340 2.078 20 5 CEBDHN Cc1ccc(CN[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000051998932 362459069 /nfs/dbraw/zinc/45/90/69/362459069.db2.gz HJKGSBHOZYWTAD-TZMCWYRMSA-N 0 3 264.325 2.296 20 5 CEBDHN O=[N+]([O-])c1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000053335663 362490303 /nfs/dbraw/zinc/49/03/03/362490303.db2.gz AQJANZWVAYVZOE-UHFFFAOYSA-N 0 3 261.306 2.364 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN2CCC1CC2 ZINC000315293193 344747722 /nfs/dbraw/zinc/74/77/22/344747722.db2.gz JGZKDYMKDLODNT-OAHLLOKOSA-N 0 3 293.342 2.260 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](CO)CC2)c1 ZINC000293100750 344690878 /nfs/dbraw/zinc/69/08/78/344690878.db2.gz LBMNUAJWTVILOW-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN C[C@@H]1C[C@H](Nc2ncc(F)cc2[N+](=O)[O-])CCN1C ZINC000401151510 344866719 /nfs/dbraw/zinc/86/67/19/344866719.db2.gz FQVNWBJGOPIWDA-PSASIEDQSA-N 0 3 268.292 2.024 20 5 CEBDHN C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000401170387 344866995 /nfs/dbraw/zinc/86/69/95/344866995.db2.gz SCLFNKHZUZOBAQ-MRVPVSSYSA-N 0 3 268.292 2.024 20 5 CEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071895 345037526 /nfs/dbraw/zinc/03/75/26/345037526.db2.gz NJIXMNMFUCIGPC-VXGBXAGGSA-N 0 3 276.340 2.053 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC2(O)CCCC2)cs1 ZINC000096478961 232185011 /nfs/dbraw/zinc/18/50/11/232185011.db2.gz MJXVWRNETNDBSV-UHFFFAOYSA-N 0 3 256.327 2.051 20 5 CEBDHN O=C(CNC1(C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593082918 345434999 /nfs/dbraw/zinc/43/49/99/345434999.db2.gz YQTFFEGOCWYJJF-UHFFFAOYSA-N 0 3 289.335 2.456 20 5 CEBDHN CC[C@@H](N[C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593719350 345527429 /nfs/dbraw/zinc/52/74/29/345527429.db2.gz WWUMDBUJEPHPIB-DGCLKSJQSA-N 0 3 270.304 2.356 20 5 CEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000594600478 345657052 /nfs/dbraw/zinc/65/70/52/345657052.db2.gz LJZOJOQEWRAYTC-QWHCGFSZSA-N 0 3 276.340 2.419 20 5 CEBDHN CO[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000594712260 345676715 /nfs/dbraw/zinc/67/67/15/345676715.db2.gz UKWGYVSHGPCXIK-UXIGCNINSA-N 0 3 294.351 2.297 20 5 CEBDHN CC[C@@H](NC/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595070766 345739619 /nfs/dbraw/zinc/73/96/19/345739619.db2.gz NJUUCQXLIKPBJI-ITDFMYJTSA-N 0 3 250.298 2.184 20 5 CEBDHN O=[N+]([O-])c1ccc(CCNCc2cc3n(n2)CCC3)cc1 ZINC000594919671 345701780 /nfs/dbraw/zinc/70/17/80/345701780.db2.gz JAGWROGQYDDOCW-UHFFFAOYSA-N 0 3 286.335 2.070 20 5 CEBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000594961565 345718065 /nfs/dbraw/zinc/71/80/65/345718065.db2.gz AGBOFBOQAMFWQJ-HKMRUAMVSA-N 0 3 296.392 2.374 20 5 CEBDHN CCO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594968220 345719227 /nfs/dbraw/zinc/71/92/27/345719227.db2.gz FCAWQJQPGBNRRG-UMSPYCQHSA-N 0 3 268.288 2.391 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(C)(C)O ZINC000595031659 345730882 /nfs/dbraw/zinc/73/08/82/345730882.db2.gz AWGAFTWYPUBOIQ-JTQLQIEISA-N 0 3 282.340 2.415 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CNC1(CO)CCCC1 ZINC000595384563 345771668 /nfs/dbraw/zinc/77/16/68/345771668.db2.gz XSYUEHDOEHBQSK-UHFFFAOYSA-N 0 3 268.288 2.129 20 5 CEBDHN C[C@@H]1[C@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000595407842 345776189 /nfs/dbraw/zinc/77/61/89/345776189.db2.gz HJHWAAMEDSOYRJ-MNOVXSKESA-N 0 3 281.331 2.258 20 5 CEBDHN COC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595424185 345778456 /nfs/dbraw/zinc/77/84/56/345778456.db2.gz OVCCQRZSFSAPHO-GFCCVEGCSA-N 0 3 268.288 2.249 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CO)C1CCCC1 ZINC000595487973 345794003 /nfs/dbraw/zinc/79/40/03/345794003.db2.gz ADJOYIKCXVUNPF-ZDUSSCGKSA-N 0 3 282.315 2.375 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC1(CCO)CCCC1 ZINC000595509052 345799105 /nfs/dbraw/zinc/79/91/05/345799105.db2.gz NTTOXZHVBCEQJL-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(C2CC2)C2(CO)CCC2)cc1 ZINC000595533814 345804612 /nfs/dbraw/zinc/80/46/12/345804612.db2.gz OCTJUELDTVUWED-UHFFFAOYSA-N 0 3 276.336 2.474 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC(C3CCC3)CC2)n1 ZINC000595657715 345840407 /nfs/dbraw/zinc/84/04/07/345840407.db2.gz AXKLGXCRTUXSMK-UHFFFAOYSA-N 0 3 278.356 2.303 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(O)C[C@H]2C1 ZINC000595758575 345869286 /nfs/dbraw/zinc/86/92/86/345869286.db2.gz SBCSUDVWXFNFAJ-SLEUVZQESA-N 0 3 276.336 2.421 20 5 CEBDHN CC1(C)CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000596071027 345932785 /nfs/dbraw/zinc/93/27/85/345932785.db2.gz WBIVOSAAUJMSST-UHFFFAOYSA-N 0 3 294.355 2.417 20 5 CEBDHN Cc1cc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])s1 ZINC000596091953 345937806 /nfs/dbraw/zinc/93/78/06/345937806.db2.gz QJINUYKGAORVDN-VIFPVBQESA-N 0 3 255.343 2.471 20 5 CEBDHN CN(C[C@H]1CCCN(C)C1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596128116 345946201 /nfs/dbraw/zinc/94/62/01/345946201.db2.gz DVUAFLPBFOHUFG-JTQLQIEISA-N 0 3 298.774 2.421 20 5 CEBDHN CCN(CCC[NH+](CC)CC)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596204570 345968621 /nfs/dbraw/zinc/96/86/21/345968621.db2.gz AHEFZJVDPXQXJN-UHFFFAOYSA-N 0 3 296.371 2.254 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(CC)C[C@@H]1C ZINC000596268259 345986371 /nfs/dbraw/zinc/98/63/71/345986371.db2.gz HEKIBZGFDOISLU-NSHDSACASA-N 0 3 295.387 2.040 20 5 CEBDHN O=c1[n-]ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596298134 345994184 /nfs/dbraw/zinc/99/41/84/345994184.db2.gz UQSBXJJWKZOILP-ZYHUDNBSSA-N 0 3 292.339 2.124 20 5 CEBDHN O=c1[n-]ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596298134 345994187 /nfs/dbraw/zinc/99/41/87/345994187.db2.gz UQSBXJJWKZOILP-ZYHUDNBSSA-N 0 3 292.339 2.124 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC[C@@]2(C)C1 ZINC000597212335 346150189 /nfs/dbraw/zinc/15/01/89/346150189.db2.gz UNWHLEXDIKRFQJ-UKRRQHHQSA-N 0 3 276.336 2.372 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000597858138 346239558 /nfs/dbraw/zinc/23/95/58/346239558.db2.gz KGHZYACSYLWTIZ-LLVKDONJSA-N 0 3 291.351 2.197 20 5 CEBDHN CCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000598343776 346332222 /nfs/dbraw/zinc/33/22/22/346332222.db2.gz XNQLUVBVYSRHGA-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCN1C1CCCC1 ZINC000599164709 346470407 /nfs/dbraw/zinc/47/04/07/346470407.db2.gz KERAKWKNRPEOFG-ZDUSSCGKSA-N 0 3 290.367 2.149 20 5 CEBDHN C[C@H](NCCOC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000599355156 346505409 /nfs/dbraw/zinc/50/54/09/346505409.db2.gz VHPUXBFPIVPJTR-LBPRGKRZSA-N 0 3 294.351 2.441 20 5 CEBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129331257 365847949 /nfs/dbraw/zinc/84/79/49/365847949.db2.gz WONIJSKHFRHKHI-BIMULSAOSA-N 0 3 264.325 2.405 20 5 CEBDHN C[C@@](CO)(NC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148487 346769900 /nfs/dbraw/zinc/76/99/00/346769900.db2.gz COEDBPOKUIVQAV-FZMZJTMJSA-N 0 3 296.392 2.145 20 5 CEBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601165437 346774603 /nfs/dbraw/zinc/77/46/03/346774603.db2.gz OLHUGMQJKCCROM-JQWIXIFHSA-N 0 3 294.330 2.192 20 5 CEBDHN Cn1cc(CN2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000602701077 347156200 /nfs/dbraw/zinc/15/62/00/347156200.db2.gz ZSEFHLKVSHXNGU-GFCCVEGCSA-N 0 3 278.356 2.340 20 5 CEBDHN CCCN(C)CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000063755915 362773132 /nfs/dbraw/zinc/77/31/32/362773132.db2.gz FDWVTKQBJFAOGB-LLVKDONJSA-N 0 3 279.340 2.114 20 5 CEBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000602770079 347191386 /nfs/dbraw/zinc/19/13/86/347191386.db2.gz VCZCUPOLDNLLRW-JTQLQIEISA-N 0 3 254.334 2.195 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H](C(C)C)C1 ZINC000602783306 347196320 /nfs/dbraw/zinc/19/63/20/347196320.db2.gz KRRPLDFYVUIIOB-GFCCVEGCSA-N 0 3 298.412 2.173 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC(C)(C)C1 ZINC000602784821 347197323 /nfs/dbraw/zinc/19/73/23/347197323.db2.gz IWZFPJFTAJEXHF-UHFFFAOYSA-N 0 3 266.345 2.222 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)CC[C@H]1C ZINC000602786577 347198024 /nfs/dbraw/zinc/19/80/24/347198024.db2.gz RIYUTSYBJKSKNU-GHMZBOCLSA-N 0 3 266.345 2.220 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)CC[C@H]1C ZINC000602786582 347198055 /nfs/dbraw/zinc/19/80/55/347198055.db2.gz RIYUTSYBJKSKNU-WDEREUQCSA-N 0 3 266.345 2.220 20 5 CEBDHN CS[C@H]1CCCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794504 347202041 /nfs/dbraw/zinc/20/20/41/347202041.db2.gz CPIYTQCECCNAPN-LBPRGKRZSA-N 0 3 298.412 2.317 20 5 CEBDHN CC[C@H]1CCCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602809348 347208376 /nfs/dbraw/zinc/20/83/76/347208376.db2.gz BGQNDWRKKLHDLW-CMPLNLGQSA-N 0 3 266.345 2.387 20 5 CEBDHN C[C@@H]1CCCC[C@H]1N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602814699 347211033 /nfs/dbraw/zinc/21/10/33/347211033.db2.gz NCQXTDZLRVZOQG-ZYHUDNBSSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1ccc(NC(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000602755241 347186227 /nfs/dbraw/zinc/18/62/27/347186227.db2.gz BZLPJWGXCGMXPP-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602931289 347250595 /nfs/dbraw/zinc/25/05/95/347250595.db2.gz ORUVSAVNMDBWSF-OCCSQVGLSA-N 0 3 294.351 2.066 20 5 CEBDHN CC[C@H](NCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982682 179210220 /nfs/dbraw/zinc/21/02/20/179210220.db2.gz HICNWSVICORTIO-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN COCC[C@H](COC)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000336829232 365892390 /nfs/dbraw/zinc/89/23/90/365892390.db2.gz BRUZDSXZISSRNC-DGCLKSJQSA-N 0 3 282.340 2.297 20 5 CEBDHN C[C@H]1COCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000610990749 347727979 /nfs/dbraw/zinc/72/79/79/347727979.db2.gz LQSLAMBWLLXIQE-LBPRGKRZSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1sccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000611165754 347746313 /nfs/dbraw/zinc/74/63/13/347746313.db2.gz JCAINRVEKLHEEN-LLVKDONJSA-N 0 3 297.380 2.322 20 5 CEBDHN CCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611271169 347761259 /nfs/dbraw/zinc/76/12/59/347761259.db2.gz QUBYKHNKLUNNKG-ZDUSSCGKSA-N 0 3 277.368 2.429 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000611510166 347788061 /nfs/dbraw/zinc/78/80/61/347788061.db2.gz BIMCTFFKROORKT-VHSXEESVSA-N 0 3 267.354 2.187 20 5 CEBDHN C[C@H](F)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351872613 219232890 /nfs/dbraw/zinc/23/28/90/219232890.db2.gz FCSYHBWEWLHABR-QWRGUYRKSA-N 0 3 282.319 2.224 20 5 CEBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000351936775 219256145 /nfs/dbraw/zinc/25/61/45/219256145.db2.gz QUCYQKWJYNASDW-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1nc(N[C@H](C)CN2CCCCCC2)ncc1[N+](=O)[O-] ZINC000450449677 282615783 /nfs/dbraw/zinc/61/57/83/282615783.db2.gz ATZXMZOVPGAZCX-LLVKDONJSA-N 0 3 293.371 2.370 20 5 CEBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccsc1 ZINC000619783599 349236163 /nfs/dbraw/zinc/23/61/63/349236163.db2.gz UDKMHXVOWYEDAA-JTQLQIEISA-N 0 3 293.348 2.169 20 5 CEBDHN Cc1c(CN2CCC[C@H](CO)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000412069611 233329739 /nfs/dbraw/zinc/32/97/39/233329739.db2.gz FVAOVTCWTNWAMS-GXTWGEPZSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H](CNCc1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000105488324 186060951 /nfs/dbraw/zinc/06/09/51/186060951.db2.gz GAXVQPQYHJRZIN-SECBINFHSA-N 0 3 269.370 2.229 20 5 CEBDHN COC1CC(N(C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000352209988 219362839 /nfs/dbraw/zinc/36/28/39/219362839.db2.gz DTLRZBXDNLWQTJ-UHFFFAOYSA-N 0 3 280.324 2.083 20 5 CEBDHN COc1ccc(CNCC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000109122303 186244160 /nfs/dbraw/zinc/24/41/60/186244160.db2.gz OAZPWNSVQDZFCL-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN CC[C@H](N[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122885800 187057495 /nfs/dbraw/zinc/05/74/95/187057495.db2.gz PWEGMBBSFCJUNJ-GWCFXTLKSA-N 0 3 252.314 2.406 20 5 CEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000122909824 187059082 /nfs/dbraw/zinc/05/90/82/187059082.db2.gz RTPZKLCHXLNZHA-RYUDHWBXSA-N 0 3 291.351 2.150 20 5 CEBDHN C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000122915113 187059300 /nfs/dbraw/zinc/05/93/00/187059300.db2.gz GQFUMXAAPMSMEH-SMDDNHRTSA-N 0 3 291.351 2.150 20 5 CEBDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000123684310 187104065 /nfs/dbraw/zinc/10/40/65/187104065.db2.gz CQWCCLYYAWPQAZ-YPMHNXCESA-N 0 3 291.351 2.150 20 5 CEBDHN CS[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271603871 191236915 /nfs/dbraw/zinc/23/69/15/191236915.db2.gz ITPGXBWQNOGDEF-NWDGAFQWSA-N 0 3 299.371 2.216 20 5 CEBDHN COc1ccc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cc1 ZINC000271649191 191259231 /nfs/dbraw/zinc/25/92/31/191259231.db2.gz ITQWRSWIXPKOCA-NSHDSACASA-N 0 3 290.323 2.151 20 5 CEBDHN Cn1cc(CCNC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000292261053 198221575 /nfs/dbraw/zinc/22/15/75/198221575.db2.gz YPDSKAIJCWJPMH-UHFFFAOYSA-N 0 3 288.351 2.396 20 5 CEBDHN CC(C)(C)OC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC000134484900 366329341 /nfs/dbraw/zinc/32/93/41/366329341.db2.gz VGWGMARXPZRNGX-UHFFFAOYSA-N 0 3 295.339 2.209 20 5 CEBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000135203917 366409125 /nfs/dbraw/zinc/40/91/25/366409125.db2.gz ZEUKLMHNXDNVEU-WCBMZHEXSA-N 0 3 256.327 2.171 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC000453124813 283481030 /nfs/dbraw/zinc/48/10/30/283481030.db2.gz USSHVTLTUPGWNC-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN CCOc1cc(CN[C@H]2C[C@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138498 366600746 /nfs/dbraw/zinc/60/07/46/366600746.db2.gz SMTABLUKZHPGIA-KBPBESRZSA-N 0 3 294.351 2.243 20 5 CEBDHN CCOc1cc(CN2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000297955996 200308985 /nfs/dbraw/zinc/30/89/85/200308985.db2.gz UAKHVVAAGXKWRH-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H]2CCCCN2C(C)C)c1=O ZINC000339114705 366660044 /nfs/dbraw/zinc/66/00/44/366660044.db2.gz UGPFJOOKGNWDKH-ZDUSSCGKSA-N 0 3 293.367 2.328 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453392110 283549062 /nfs/dbraw/zinc/54/90/62/283549062.db2.gz ZDAYECKEQWJACW-YGRLFVJLSA-N 0 3 291.351 2.086 20 5 CEBDHN Cc1c([C@H](C)NCCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000178224024 189098990 /nfs/dbraw/zinc/09/89/90/189098990.db2.gz QCPNXFZUTQKQQJ-LBPRGKRZSA-N 0 3 293.367 2.326 20 5 CEBDHN CCOc1ccc([C@H](C)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000179579217 189204273 /nfs/dbraw/zinc/20/42/73/189204273.db2.gz KPLCJVMIDMURIY-UWVGGRQHSA-N 0 3 268.313 2.025 20 5 CEBDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154339114 366768609 /nfs/dbraw/zinc/76/86/09/366768609.db2.gz OHAWVBNLFIYANM-GBIKHYSHSA-N 0 3 284.381 2.358 20 5 CEBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncccc1[N+](=O)[O-] ZINC000286282632 291283483 /nfs/dbraw/zinc/28/34/83/291283483.db2.gz FCLWGERFRGXYSS-RYUDHWBXSA-N 0 3 276.340 2.053 20 5 CEBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCCN(C)C ZINC000342534651 216387305 /nfs/dbraw/zinc/38/73/05/216387305.db2.gz FQMFBXNQRPOWTO-UHFFFAOYSA-N 0 3 298.364 2.344 20 5 CEBDHN CC[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000030144080 361695678 /nfs/dbraw/zinc/69/56/78/361695678.db2.gz HDZDLQBBKYMRGM-LLVKDONJSA-N 0 3 291.351 2.316 20 5 CEBDHN CN(CCOCC1CC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000088600914 363910829 /nfs/dbraw/zinc/91/08/29/363910829.db2.gz IVLFHBNOEZBHOQ-UHFFFAOYSA-N 0 3 294.351 2.332 20 5 CEBDHN C[C@@H]1CCC[C@@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090530029 364062674 /nfs/dbraw/zinc/06/26/74/364062674.db2.gz ZWKLOCOFPIENEB-VXGBXAGGSA-N 0 3 279.340 2.019 20 5 CEBDHN CCC(CC)[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000111404541 364734685 /nfs/dbraw/zinc/73/46/85/364734685.db2.gz WPCDALRIAKHFDB-AWEZNQCLSA-N 0 3 266.341 2.482 20 5 CEBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112310424 364791592 /nfs/dbraw/zinc/79/15/92/364791592.db2.gz HGWYCYIRPBSLER-UHFFFAOYSA-N 0 3 279.340 2.057 20 5 CEBDHN CCN(Cc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000112675110 364825555 /nfs/dbraw/zinc/82/55/55/364825555.db2.gz VNOZLYQAMHSXQX-UHFFFAOYSA-N 0 3 252.314 2.188 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000341072454 367158549 /nfs/dbraw/zinc/15/85/49/367158549.db2.gz SXWLYHJHADQGRU-QWRGUYRKSA-N 0 3 295.339 2.181 20 5 CEBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000597922508 367209315 /nfs/dbraw/zinc/20/93/15/367209315.db2.gz FEDFCVCWNIFRBJ-NSHDSACASA-N 0 3 291.351 2.197 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343063703 367654016 /nfs/dbraw/zinc/65/40/16/367654016.db2.gz UZTWQVCJSZCBEG-UHFFFAOYSA-N 0 3 293.367 2.317 20 5 CEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000172621691 367789828 /nfs/dbraw/zinc/78/98/28/367789828.db2.gz ZSCJTPTVTUVVKY-ONGXEEELSA-N 0 3 297.380 2.211 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343451048 367822144 /nfs/dbraw/zinc/82/21/44/367822144.db2.gz NTUONWMZYJCZRP-BXUZGUMPSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000173482230 367913362 /nfs/dbraw/zinc/91/33/62/367913362.db2.gz MSNPULWALLADAK-NSHDSACASA-N 0 3 291.351 2.116 20 5 CEBDHN COc1ccc(OCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000173531939 367920021 /nfs/dbraw/zinc/92/00/21/367920021.db2.gz ANULHGAUYUXPMU-UHFFFAOYSA-N 0 3 266.297 2.076 20 5 CEBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000343567404 367887667 /nfs/dbraw/zinc/88/76/67/367887667.db2.gz LKJWBXYAIRJXIP-AWEZNQCLSA-N 0 3 291.351 2.199 20 5 CEBDHN CC(C)COC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173346053 367899038 /nfs/dbraw/zinc/89/90/38/367899038.db2.gz IBZPLINGSPAJEM-WFASDCNBSA-N 0 3 296.367 2.279 20 5 CEBDHN Cc1cc(N(C)CCN(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000345081464 368149445 /nfs/dbraw/zinc/14/94/45/368149445.db2.gz ODXZAYRXWQAHGC-UHFFFAOYSA-N 0 3 288.351 2.449 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1CC(O)C1 ZINC000276022032 193191679 /nfs/dbraw/zinc/19/16/79/193191679.db2.gz KOWMJVQDMAZTDF-UNXYVOJBSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1cc(NC[C@H](C)N2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348177094 368934642 /nfs/dbraw/zinc/93/46/42/368934642.db2.gz HAYYWTJHLMTERE-STQMWFEESA-N 0 3 292.383 2.395 20 5 CEBDHN Cc1cc(NCCN2[C@@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348181190 368937745 /nfs/dbraw/zinc/93/77/45/368937745.db2.gz NAHMSGAJFOOBOA-STQMWFEESA-N 0 3 292.383 2.395 20 5 CEBDHN Cc1nc(NCCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348346894 369011574 /nfs/dbraw/zinc/01/15/74/369011574.db2.gz CSZOOLVCRACCRU-VXGBXAGGSA-N 0 3 292.383 2.395 20 5 CEBDHN C[C@H]1CCCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000187991664 369270189 /nfs/dbraw/zinc/27/01/89/369270189.db2.gz VVWLSXJVJKYLMA-NSHDSACASA-N 0 3 291.351 2.316 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000349386374 369318203 /nfs/dbraw/zinc/31/82/03/369318203.db2.gz SDYFLFVLYZJIAA-RISCZKNCSA-N 0 3 264.325 2.106 20 5 CEBDHN CO[C@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000190931202 369662439 /nfs/dbraw/zinc/66/24/39/369662439.db2.gz IWZBWTHAUYXRQO-ZJUUUORDSA-N 0 3 256.327 2.313 20 5 CEBDHN COc1cc(CN(CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000352545582 369781688 /nfs/dbraw/zinc/78/16/88/369781688.db2.gz KBSRENZJLWTBDV-UHFFFAOYSA-N 0 3 294.351 2.340 20 5 CEBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000354043252 370192866 /nfs/dbraw/zinc/19/28/66/370192866.db2.gz XQGGRLZCAGDEOF-LLVKDONJSA-N 0 3 266.345 2.159 20 5 CEBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000226598843 370349391 /nfs/dbraw/zinc/34/93/91/370349391.db2.gz WONIJSKHFRHKHI-ZWKOPEQDSA-N 0 3 264.325 2.405 20 5 CEBDHN C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N(C)C ZINC000235138335 370556716 /nfs/dbraw/zinc/55/67/16/370556716.db2.gz WKLJPCBVYZFTAK-ZETCQYMHSA-N 0 3 292.261 2.371 20 5 CEBDHN Cc1c(CN[C@@H]2CN(C3CC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000358303208 371003779 /nfs/dbraw/zinc/00/37/79/371003779.db2.gz AVDANHJGBWNWBP-IAQYHMDHSA-N 0 3 289.379 2.476 20 5 CEBDHN COc1cccc(N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000358654264 371157797 /nfs/dbraw/zinc/15/77/97/371157797.db2.gz SRQNRYJFBOADHD-GHMZBOCLSA-N 0 3 279.340 2.498 20 5 CEBDHN C[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248084797 371160930 /nfs/dbraw/zinc/16/09/30/371160930.db2.gz JVHOASRTMNMORA-TZMCWYRMSA-N 0 3 294.351 2.209 20 5 CEBDHN COC(=O)[C@H](C)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248885888 371264288 /nfs/dbraw/zinc/26/42/88/371264288.db2.gz SCYJORMLNFLHEV-GHMZBOCLSA-N 0 3 280.324 2.397 20 5 CEBDHN CC1(C)[C@@H](O)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361080787 371640156 /nfs/dbraw/zinc/64/01/56/371640156.db2.gz MBYWSRNMNGSCCY-DYLGSBMWSA-N 0 3 276.336 2.453 20 5 CEBDHN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC2)C1 ZINC000353333768 220031109 /nfs/dbraw/zinc/03/11/09/220031109.db2.gz SXWUOAMQIULTAA-GFCCVEGCSA-N 0 3 281.381 2.325 20 5 CEBDHN CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000268899719 372278363 /nfs/dbraw/zinc/27/83/63/372278363.db2.gz QVTBDMXDSNYQNS-GFCCVEGCSA-N 0 3 299.758 2.205 20 5 CEBDHN C[C@@H](NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513984 220130407 /nfs/dbraw/zinc/13/04/07/220130407.db2.gz SVQNJZSASNGIKU-ZWNOBZJWSA-N 0 3 264.325 2.264 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)C[S@@](C)=O ZINC000344816573 217320728 /nfs/dbraw/zinc/32/07/28/217320728.db2.gz RULBQXPSAHZQHV-GPSKLBJUSA-N 0 3 296.392 2.355 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000344828921 217324559 /nfs/dbraw/zinc/32/45/59/217324559.db2.gz MTOZNZNXGRLVEB-UHFFFAOYSA-N 0 3 285.369 2.070 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[S@](C)=O ZINC000344849998 217333477 /nfs/dbraw/zinc/33/34/77/217333477.db2.gz HABNPLQMQPCLJF-JTPHSUOKSA-N 0 3 296.392 2.356 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000271189130 373172588 /nfs/dbraw/zinc/17/25/88/373172588.db2.gz OQGSQZLXEUVHHS-CYBMUJFWSA-N 0 3 264.325 2.372 20 5 CEBDHN CCCN(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344868297 217338615 /nfs/dbraw/zinc/33/86/15/217338615.db2.gz VYSMMGCEAIGQFZ-UHFFFAOYSA-N 0 3 297.330 2.148 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCCCC[C@H]32)c1 ZINC000369454420 373422029 /nfs/dbraw/zinc/42/20/29/373422029.db2.gz ZZPMUAMFLQXUMQ-GXTWGEPZSA-N 0 3 278.356 2.446 20 5 CEBDHN CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000371000255 373769439 /nfs/dbraw/zinc/76/94/39/373769439.db2.gz VJBWJLBJNKARTC-AWEZNQCLSA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)C ZINC000274304687 373872209 /nfs/dbraw/zinc/87/22/09/373872209.db2.gz VBQZUZXRODJEAM-LLVKDONJSA-N 0 3 294.355 2.283 20 5 CEBDHN COc1ccc(CN(C)CCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000274468152 373934091 /nfs/dbraw/zinc/93/40/91/373934091.db2.gz JDAGXEASZLEFQV-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@@H](NCCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000274812641 374059192 /nfs/dbraw/zinc/05/91/92/374059192.db2.gz RCVIUAPMBMNUPR-SNVBAGLBSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1ccc(N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000376487942 374706846 /nfs/dbraw/zinc/70/68/46/374706846.db2.gz ZIXKROWDRCJMFM-IUODEOHRSA-N 0 3 275.352 2.434 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC2(CCO2)CC1 ZINC000377121158 374794528 /nfs/dbraw/zinc/79/45/28/374794528.db2.gz SSVVPSOXQHERMU-UHFFFAOYSA-N 0 3 292.335 2.229 20 5 CEBDHN CC[C@@H]1[C@@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000386246784 375255255 /nfs/dbraw/zinc/25/52/55/375255255.db2.gz IPZPCVZSBHGLSZ-CHWSQXEVSA-N 0 3 264.325 2.188 20 5 CEBDHN CO[C@H]([C@H](C)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388211702 375284360 /nfs/dbraw/zinc/28/43/60/375284360.db2.gz GJKHURMVIHIDRJ-IINYFYTJSA-N 0 3 264.325 2.498 20 5 CEBDHN C[C@@]1(F)CNCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414770813 375959065 /nfs/dbraw/zinc/95/90/65/375959065.db2.gz PLKYYVCSHQVGFL-ZDTYVGOBSA-N 0 3 293.342 2.241 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286428167 375950127 /nfs/dbraw/zinc/95/01/27/375950127.db2.gz IRGJOQMGMSNDMM-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN Cc1c([C@@H](C)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000287216165 376175850 /nfs/dbraw/zinc/17/58/50/376175850.db2.gz XFNJWCAEVXNCTP-LLVKDONJSA-N 0 3 251.330 2.115 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CN(C)C ZINC000287354890 376213398 /nfs/dbraw/zinc/21/33/98/376213398.db2.gz ZXOZKZCQJQYUIH-NSHDSACASA-N 0 3 293.367 2.200 20 5 CEBDHN CCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000311401080 376666806 /nfs/dbraw/zinc/66/68/06/376666806.db2.gz FXQOSPOKHJUKEJ-CYBMUJFWSA-N 0 3 270.304 2.375 20 5 CEBDHN C[C@@H](NC[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000311602386 376678380 /nfs/dbraw/zinc/67/83/80/376678380.db2.gz CVWUROPSTUSCJR-QMTHXVAHSA-N 0 3 264.325 2.406 20 5 CEBDHN C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000311987096 376698322 /nfs/dbraw/zinc/69/83/22/376698322.db2.gz RRYPVPSUMHSUQO-ZDUSSCGKSA-N 0 3 284.743 2.499 20 5 CEBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1CC(OC(C)(C)C)C1 ZINC000421003431 376777741 /nfs/dbraw/zinc/77/77/41/376777741.db2.gz HLTSLUOIDIGENO-UHFFFAOYSA-N 0 3 296.371 2.069 20 5 CEBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264669454 190127442 /nfs/dbraw/zinc/12/74/42/190127442.db2.gz IZQBZVJRPDNPGQ-CQSZACIVSA-N 0 3 291.351 2.199 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N(C)C[C@H]1CCCN(C)C1 ZINC000563420117 377219292 /nfs/dbraw/zinc/21/92/92/377219292.db2.gz LQEFMCAGMBYIQH-LBPRGKRZSA-N 0 3 293.367 2.381 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](CO)CC1 ZINC000293239526 377486606 /nfs/dbraw/zinc/48/66/06/377486606.db2.gz SPXQKHGQOOLIRO-CYBMUJFWSA-N 0 3 294.351 2.068 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](CO)CC1 ZINC000293239532 377486896 /nfs/dbraw/zinc/48/68/96/377486896.db2.gz SPXQKHGQOOLIRO-ZDUSSCGKSA-N 0 3 294.351 2.068 20 5 CEBDHN COc1ccc(CN[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000293883014 377805463 /nfs/dbraw/zinc/80/54/63/377805463.db2.gz VNPKNVWSOQGEGX-ZDUSSCGKSA-N 0 3 280.324 2.261 20 5 CEBDHN COC(=O)C1(CN(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000295296270 378091206 /nfs/dbraw/zinc/09/12/06/378091206.db2.gz LYHYXDICGTXBGY-UHFFFAOYSA-N 0 3 292.335 2.022 20 5 CEBDHN Cc1nc(N[C@@H](C)CN2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568456 378217007 /nfs/dbraw/zinc/21/70/07/378217007.db2.gz QZEILGWSMMIACY-QWRGUYRKSA-N 0 3 293.371 2.226 20 5 CEBDHN CC1(C)C[C@@H](N[C@H]2C[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000296076597 378410496 /nfs/dbraw/zinc/41/04/96/378410496.db2.gz WZASCFQEWNPNOP-OLUVUFQESA-N 0 3 276.336 2.430 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000296311018 378487121 /nfs/dbraw/zinc/48/71/21/378487121.db2.gz GPFQFPGRUMMALS-HOSYDEDBSA-N 0 3 280.324 2.259 20 5 CEBDHN Cc1cnc(N[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000266211857 190240104 /nfs/dbraw/zinc/24/01/04/190240104.db2.gz NGIOAMFLMLNSRC-LLVKDONJSA-N 0 3 264.329 2.193 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453413944 378894048 /nfs/dbraw/zinc/89/40/48/378894048.db2.gz WVKGDIUNAGHRRN-XHDPSFHLSA-N 0 3 291.351 2.223 20 5 CEBDHN COc1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000266280209 190245528 /nfs/dbraw/zinc/24/55/28/190245528.db2.gz TXGKLONHBXJPSX-ZDUSSCGKSA-N 0 3 289.335 2.054 20 5 CEBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCCSC3)nc2c1 ZINC000278613576 194069695 /nfs/dbraw/zinc/06/96/95/194069695.db2.gz GQGBVIQEWNSWFM-SECBINFHSA-N 0 3 292.364 2.456 20 5 CEBDHN COC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278619295 194072233 /nfs/dbraw/zinc/07/22/33/194072233.db2.gz JQHFYXXDECUYJV-HIFRSBDPSA-N 0 3 294.351 2.187 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](O)C1 ZINC000347353727 218200552 /nfs/dbraw/zinc/20/05/52/218200552.db2.gz GUJJQKLOGHHHCJ-PINLSGDHSA-N 0 3 276.336 2.455 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CCO[C@@H]1C ZINC000515031277 379176100 /nfs/dbraw/zinc/17/61/00/379176100.db2.gz GDIIIIGUFKCRRD-ZOWXZIJZSA-N 0 3 294.351 2.094 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N1CCCC1 ZINC000522316544 379570279 /nfs/dbraw/zinc/57/02/79/379570279.db2.gz JTGDNEJWCGXQHP-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CC1(C)CCCN1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000457085370 379659777 /nfs/dbraw/zinc/65/97/77/379659777.db2.gz ZXYGUTDLZWQOHR-UHFFFAOYSA-N 0 3 297.380 2.261 20 5 CEBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000457120209 379678030 /nfs/dbraw/zinc/67/80/30/379678030.db2.gz NXIQFNSFDQJUKY-LLVKDONJSA-N 0 3 297.380 2.211 20 5 CEBDHN CN(C)[C@]1(CNc2ccccc2[N+](=O)[O-])CCSC1 ZINC000267118166 190305298 /nfs/dbraw/zinc/30/52/98/190305298.db2.gz STFUHVUDCOZMQX-ZDUSSCGKSA-N 0 3 281.381 2.444 20 5 CEBDHN COC[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000541897575 380288130 /nfs/dbraw/zinc/28/81/30/380288130.db2.gz KLLODYKJAMDSIF-AAEUAGOBSA-N 0 3 282.340 2.215 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1CCO ZINC000279236735 194346599 /nfs/dbraw/zinc/34/65/99/194346599.db2.gz JQFSLBYPRGOGGX-BXUZGUMPSA-N 0 3 294.351 2.244 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](N2CCCC2)C1 ZINC000153683477 285091889 /nfs/dbraw/zinc/09/18/89/285091889.db2.gz HQDQMIBPNGBQKF-LLVKDONJSA-N 0 3 296.758 2.318 20 5 CEBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCCC3)C2)nc1 ZINC000264540740 285130253 /nfs/dbraw/zinc/13/02/53/285130253.db2.gz AOYMXWREUCIQJW-ZDUSSCGKSA-N 0 3 276.340 2.054 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3c[nH]nc3C2)c(F)c1 ZINC000350313171 219007107 /nfs/dbraw/zinc/00/71/07/219007107.db2.gz YANQXUCNANVNEY-NSHDSACASA-N 0 3 290.298 2.104 20 5 CEBDHN CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000281767999 195373385 /nfs/dbraw/zinc/37/33/85/195373385.db2.gz SEJOHNYMJUVGAL-DOMZBBRYSA-N 0 3 294.351 2.473 20 5 CEBDHN C[C@H]1NCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000262736293 131257059 /nfs/dbraw/zinc/25/70/59/131257059.db2.gz CPNWGTXWDLWNGO-BDAKNGLRSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000420951770 394452385 /nfs/dbraw/zinc/45/23/85/394452385.db2.gz UCDSQZPVKACMJU-MXWKQRLJSA-N 0 3 250.298 2.016 20 5 CEBDHN Cc1ccn(C[C@@H]2CCCCN2C(C)C)c(=O)c1[N+](=O)[O-] ZINC000413001517 394456678 /nfs/dbraw/zinc/45/66/78/394456678.db2.gz RXNSUBCMGSZUBX-ZDUSSCGKSA-N 0 3 293.367 2.328 20 5 CEBDHN Cc1c(CN2CCC[C@@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000305180763 394498620 /nfs/dbraw/zinc/49/86/20/394498620.db2.gz NOAXQSQZZGDTFA-TZMCWYRMSA-N 0 3 278.352 2.496 20 5 CEBDHN CON1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421398842 394523531 /nfs/dbraw/zinc/52/35/31/394523531.db2.gz OYYHJYTXIKGJQC-UHFFFAOYSA-N 0 3 299.758 2.364 20 5 CEBDHN O=[N+]([O-])c1c(F)cccc1NCCN1CCCC1 ZINC000048804600 394531438 /nfs/dbraw/zinc/53/14/38/394531438.db2.gz MFLHDFVMLFCRQR-UHFFFAOYSA-N 0 3 253.277 2.242 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000323562801 394550091 /nfs/dbraw/zinc/55/00/91/394550091.db2.gz QZAITUXBFBNABK-VXGBXAGGSA-N 0 3 270.716 2.251 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000356853620 394631706 /nfs/dbraw/zinc/63/17/06/394631706.db2.gz SJVPJBLCDAHOSC-AAEUAGOBSA-N 0 3 264.325 2.500 20 5 CEBDHN COC(=O)[C@@H](C)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266742152 394668697 /nfs/dbraw/zinc/66/86/97/394668697.db2.gz NXZHZWBGGJJTSN-QWRGUYRKSA-N 0 3 280.324 2.397 20 5 CEBDHN Cc1cnc(N(C)[C@H]2CCN(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268109722 394690138 /nfs/dbraw/zinc/69/01/38/394690138.db2.gz CBVQRBSWIKXJBO-RYUDHWBXSA-N 0 3 278.356 2.075 20 5 CEBDHN COc1cc(CN[C@@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000271905730 394765859 /nfs/dbraw/zinc/76/58/59/394765859.db2.gz BVYZYWQLJWHIFJ-SNVBAGLBSA-N 0 3 298.364 2.207 20 5 CEBDHN CC(C)CN1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000369111824 394996161 /nfs/dbraw/zinc/99/61/61/394996161.db2.gz JACPGYLSNOZAGB-UHFFFAOYSA-N 0 3 284.385 2.219 20 5 CEBDHN CCN1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153742728 395016198 /nfs/dbraw/zinc/01/61/98/395016198.db2.gz BIELTFHNBOSGFR-UHFFFAOYSA-N 0 3 284.747 2.175 20 5 CEBDHN CC(C)CCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000159748811 395059274 /nfs/dbraw/zinc/05/92/74/395059274.db2.gz PFVYXBLXUDGHRD-UHFFFAOYSA-N 0 3 293.367 2.267 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344789633 395060019 /nfs/dbraw/zinc/06/00/19/395060019.db2.gz HXQKXKUFERKFEX-UHFFFAOYSA-N 0 3 297.330 2.146 20 5 CEBDHN COc1cc(CN[C@]2(C)CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000494207158 395099364 /nfs/dbraw/zinc/09/93/64/395099364.db2.gz BMDJKGMQFUPOTK-IINYFYTJSA-N 0 3 280.324 2.261 20 5 CEBDHN CCN(CCN1CCCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343784421 395044301 /nfs/dbraw/zinc/04/43/01/395044301.db2.gz DSSJBLIFNKMWRY-UHFFFAOYSA-N 0 3 295.387 2.031 20 5 CEBDHN COc1ccc(CNC[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000398224736 395230747 /nfs/dbraw/zinc/23/07/47/395230747.db2.gz PKPPRJFLJLOCHJ-PWSUYJOCSA-N 0 3 280.324 2.261 20 5 CEBDHN Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295055743 395285045 /nfs/dbraw/zinc/28/50/45/395285045.db2.gz YOFZYEZNPNCYEC-LLVKDONJSA-N 0 3 290.367 2.219 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCCN1CC ZINC000192586568 395387506 /nfs/dbraw/zinc/38/75/06/395387506.db2.gz JDJWHXNMYPFZNF-LBPRGKRZSA-N 0 3 295.387 2.406 20 5 CEBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000354971910 286226489 /nfs/dbraw/zinc/22/64/89/286226489.db2.gz DQGZKZQORLFWEL-OSAQELSMSA-N 0 3 294.351 2.439 20 5 CEBDHN CO[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000227830885 153350704 /nfs/dbraw/zinc/35/07/04/153350704.db2.gz BKKKKRGXGZATOD-OLZOCXBDSA-N 0 3 264.325 2.498 20 5 CEBDHN COc1ccc(CN[C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000230315887 153390330 /nfs/dbraw/zinc/39/03/30/153390330.db2.gz GYPPYWURVIBLIC-IUODEOHRSA-N 0 3 292.335 2.261 20 5 CEBDHN CSC1(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000368578446 156367317 /nfs/dbraw/zinc/36/73/17/156367317.db2.gz NBMMLQQHVHRYBR-NSHDSACASA-N 0 3 296.396 2.324 20 5 CEBDHN C[C@@H]1CCOCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000375003795 157039243 /nfs/dbraw/zinc/03/92/43/157039243.db2.gz LODFOPOLHLYSPM-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376043925 157176955 /nfs/dbraw/zinc/17/69/55/157176955.db2.gz RSXMMGOPXCJPME-GXTWGEPZSA-N 0 3 262.309 2.206 20 5 CEBDHN CS[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271603877 286708667 /nfs/dbraw/zinc/70/86/67/286708667.db2.gz ITPGXBWQNOGDEF-VXGBXAGGSA-N 0 3 299.371 2.216 20 5 CEBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000176193802 165157995 /nfs/dbraw/zinc/15/79/95/165157995.db2.gz DZLLIHIEEGHYOM-UHFFFAOYSA-N 0 3 278.287 2.062 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000183354966 165389460 /nfs/dbraw/zinc/38/94/60/165389460.db2.gz BIHKHIJDYAAWTP-MZBDJJRSSA-N 0 3 290.363 2.496 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000285412251 196275935 /nfs/dbraw/zinc/27/59/35/196275935.db2.gz XTXFWCLNYNECLF-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000285753982 196387999 /nfs/dbraw/zinc/38/79/99/196387999.db2.gz VTCKYQMVRPEAEF-BDAKNGLRSA-N 0 3 286.278 2.388 20 5 CEBDHN CN1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040672720 174371074 /nfs/dbraw/zinc/37/10/74/174371074.db2.gz NJIILWZPYIOIIH-LLVKDONJSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@H](NC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000071300293 176113525 /nfs/dbraw/zinc/11/35/25/176113525.db2.gz WGGBKFHGKJMMOB-ZANVPECISA-N 0 3 250.298 2.016 20 5 CEBDHN O=C(NCCN1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072634306 176419217 /nfs/dbraw/zinc/41/92/17/176419217.db2.gz YBENISPNGWAKBC-UHFFFAOYSA-N 0 3 297.742 2.074 20 5 CEBDHN Cc1ccc(CN[C@@H](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000077424243 177265775 /nfs/dbraw/zinc/26/57/75/177265775.db2.gz VWVDICXTKXHXNI-QWRGUYRKSA-N 0 3 252.314 2.010 20 5 CEBDHN COc1cc(CN(CC(C)(C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000426774513 260380291 /nfs/dbraw/zinc/38/02/91/260380291.db2.gz OWQXUNYNRXQOIE-UHFFFAOYSA-N 0 3 294.351 2.339 20 5 CEBDHN Cc1cc(N[C@H]2CN(C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000268168691 262949735 /nfs/dbraw/zinc/94/97/35/262949735.db2.gz QEBIJAZWFSOQOR-PWSUYJOCSA-N 0 3 276.340 2.193 20 5 CEBDHN C[C@H](O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000438983443 263087947 /nfs/dbraw/zinc/08/79/47/263087947.db2.gz BXKOADCOPOYUIE-NSHDSACASA-N 0 3 264.325 2.330 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CO)[C@H]1C ZINC000425969686 264248961 /nfs/dbraw/zinc/24/89/61/264248961.db2.gz XEVBIEAPTITTRG-YPMHNXCESA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CO)[C@H]1C ZINC000425969684 264249082 /nfs/dbraw/zinc/24/90/82/264249082.db2.gz XEVBIEAPTITTRG-DGCLKSJQSA-N 0 3 264.325 2.106 20 5 CEBDHN CC[C@H](N[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391586527 264529900 /nfs/dbraw/zinc/52/99/00/264529900.db2.gz BJJLADXUMHNBAS-JSGCOSHPSA-N 0 3 291.351 2.256 20 5 CEBDHN CC[C@](C)(CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000322548079 270335111 /nfs/dbraw/zinc/33/51/11/270335111.db2.gz UYGTZDSFRRCBKG-CYBMUJFWSA-N 0 3 252.314 2.500 20 5 CEBDHN C[C@@H]1[C@H](CO)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425977937 271193037 /nfs/dbraw/zinc/19/30/37/271193037.db2.gz NLZHJRLXVYLZQM-HRLNJXSSSA-N 0 3 276.336 2.311 20 5 CEBDHN CC[C@@]1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000428444335 271267468 /nfs/dbraw/zinc/26/74/68/271267468.db2.gz VMHSIENJAYEJSZ-KEDPEKRHSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)CC(F)F ZINC000428641606 271284719 /nfs/dbraw/zinc/28/47/19/271284719.db2.gz MNTJQOHHRPFSHK-TZNOJPMFSA-N 0 3 286.278 2.214 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](CO)CC(F)F ZINC000428641607 271284804 /nfs/dbraw/zinc/28/48/04/271284804.db2.gz MNTJQOHHRPFSHK-USEMIUTHSA-N 0 3 286.278 2.214 20 5 CEBDHN O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCN(C4CC4)C3)c21 ZINC000347397368 275039802 /nfs/dbraw/zinc/03/98/02/275039802.db2.gz GITYOIUYKHZMMG-JTQLQIEISA-N 0 3 299.334 2.187 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361591909 276133823 /nfs/dbraw/zinc/13/38/23/276133823.db2.gz SSXAIMHTEWNOTQ-ZDUSSCGKSA-N 0 3 280.324 2.084 20 5 CEBDHN CNC(=O)[C@]1(C)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000281205550 277255274 /nfs/dbraw/zinc/25/52/74/277255274.db2.gz SDWWDMXCOSANPE-IAQYHMDHSA-N 0 3 291.351 2.114 20 5 CEBDHN COC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000178730909 277569980 /nfs/dbraw/zinc/56/99/80/277569980.db2.gz KNTVYLSEMKYWCR-CYBMUJFWSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@H](N[C@H]1CCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000181070132 278281935 /nfs/dbraw/zinc/28/19/35/278281935.db2.gz WQMVWXGKACRPIS-XDTLVQLUSA-N 0 3 250.298 2.159 20 5 CEBDHN C[C@H](NCC[C@@H]1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296712263 279471886 /nfs/dbraw/zinc/47/18/86/279471886.db2.gz MBAXYAZNRDSNLB-CMPLNLGQSA-N 0 3 278.308 2.199 20 5 CEBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000128139760 279554305 /nfs/dbraw/zinc/55/43/05/279554305.db2.gz ODVRIOAPUAGFEY-XDTLVQLUSA-N 0 3 264.325 2.405 20 5 CEBDHN C[C@@H](O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321145 280060499 /nfs/dbraw/zinc/06/04/99/280060499.db2.gz ZLDUMZZZAXAEEV-NEPJUHHUSA-N 0 3 264.325 2.188 20 5 CEBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000230151991 280062499 /nfs/dbraw/zinc/06/24/99/280062499.db2.gz RJBWWYGDBYENAO-ZWNOBZJWSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@H](NC[C@@]1(O)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269015630 280541624 /nfs/dbraw/zinc/54/16/24/280541624.db2.gz YIZPOGDLJSNZFJ-GWCFXTLKSA-N 0 3 282.365 2.113 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000268823876 281013486 /nfs/dbraw/zinc/01/34/86/281013486.db2.gz QELAQGCGGZPJSW-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CCC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423721978 281082883 /nfs/dbraw/zinc/08/28/83/281082883.db2.gz JCBUBUBJGFKUKE-CQSZACIVSA-N 0 3 291.351 2.213 20 5 CEBDHN NC(=O)c1ccc(CN2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426454914 281194405 /nfs/dbraw/zinc/19/44/05/281194405.db2.gz AXRIKRWFKUIDMA-GWCFXTLKSA-N 0 3 289.335 2.068 20 5 CEBDHN C[C@H]1CC[C@H](N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000429576139 281246467 /nfs/dbraw/zinc/24/64/67/281246467.db2.gz BMJKRQLZXGMAQD-GWCFXTLKSA-N 0 3 291.351 2.314 20 5 CEBDHN C[C@@H]1C[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446850176 281787474 /nfs/dbraw/zinc/78/74/74/281787474.db2.gz WLPHZYAIJUGZTQ-BDAKNGLRSA-N 0 3 260.297 2.217 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272208087 290234716 /nfs/dbraw/zinc/23/47/16/290234716.db2.gz PTQRIEDSZDAXEA-SMDDNHRTSA-N 0 3 261.325 2.125 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CCCOC1)C2 ZINC000535247169 298184715 /nfs/dbraw/zinc/18/47/15/298184715.db2.gz RASAUGGDYFHXBV-LBPRGKRZSA-N 0 3 276.336 2.380 20 5 CEBDHN N[C@@H]1CCCc2cn(Cc3ccc([N+](=O)[O-])cc3F)nc21 ZINC000562980971 313706977 /nfs/dbraw/zinc/70/69/77/313706977.db2.gz ROICHOGYWHLNPB-CYBMUJFWSA-N 0 3 290.298 2.315 20 5 CEBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575137169 314209302 /nfs/dbraw/zinc/20/93/02/314209302.db2.gz QVHGKLBHTQSQRD-MNOVXSKESA-N 0 3 279.340 2.078 20 5 CEBDHN CNC(=O)CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000576408950 314273626 /nfs/dbraw/zinc/27/36/26/314273626.db2.gz SDKVUKUZBCEGOR-UHFFFAOYSA-N 0 3 291.351 2.085 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)C1CCC1 ZINC000576886376 314320261 /nfs/dbraw/zinc/32/02/61/314320261.db2.gz KIUCKSMYSYETIQ-DZGCQCFKSA-N 0 3 276.336 2.333 20 5 CEBDHN CCOCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578025770 314439238 /nfs/dbraw/zinc/43/92/38/314439238.db2.gz CPLGLAYMOWJHGO-GFCCVEGCSA-N 0 3 250.298 2.208 20 5 CEBDHN O=[N+]([O-])c1ncccc1OCc1ccc2c(c1)CNCC2 ZINC000580332957 322312018 /nfs/dbraw/zinc/31/20/18/322312018.db2.gz KLPQYJWMXBZVSB-UHFFFAOYSA-N 0 3 285.303 2.215 20 5 CEBDHN CC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188672875 522572917 /nfs/dbraw/zinc/57/29/17/522572917.db2.gz XWJUVNCNUYMUSN-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN CC[C@@H](N[C@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000269017909 529205448 /nfs/dbraw/zinc/20/54/48/529205448.db2.gz OZUNJCQYKGFUKD-BXUZGUMPSA-N 0 3 289.339 2.316 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313123531 535806258 /nfs/dbraw/zinc/80/62/58/535806258.db2.gz WIRZTCLUJCGJCO-OLZOCXBDSA-N 0 3 252.314 2.234 20 5 CEBDHN CC[C@H](O)[C@H](CC)NCc1ccccc1[N+](=O)[O-] ZINC000313097396 536009509 /nfs/dbraw/zinc/00/95/09/536009509.db2.gz DUJBIKWSCGZEGZ-AAEUAGOBSA-N 0 3 252.314 2.234 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CCO)C1CC1 ZINC000741259320 574979619 /nfs/dbraw/zinc/97/96/19/574979619.db2.gz WBXAODWPUXCJJV-GFCCVEGCSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@@H]1CCCN1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000742426984 575021153 /nfs/dbraw/zinc/02/11/53/575021153.db2.gz DUEJRMZSYLIVEC-SECBINFHSA-N 0 3 295.368 2.200 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C3CCC2CC3)c1 ZINC000750034326 575244447 /nfs/dbraw/zinc/24/44/47/575244447.db2.gz AHSHSAIJDOVXDS-ORHYLEIMSA-N 0 3 262.309 2.255 20 5 CEBDHN C[C@H]1CSCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000753838277 575345195 /nfs/dbraw/zinc/34/51/95/575345195.db2.gz SEORQKCUECAUTK-RISCZKNCSA-N 0 3 296.392 2.313 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000892449042 625487365 /nfs/dbraw/zinc/48/73/65/625487365.db2.gz KRIYVPNXBQHNAC-MRVPVSSYSA-N 0 3 266.297 2.197 20 5 CEBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(OC)cc1 ZINC000813099904 623017635 /nfs/dbraw/zinc/01/76/35/623017635.db2.gz GXPZBVRTHNTOGZ-GXFFZTMASA-N 0 3 281.308 2.397 20 5 CEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C(C)(C)C ZINC000813104431 623022030 /nfs/dbraw/zinc/02/20/30/623022030.db2.gz CNYWQLSGJIKMIK-VIFPVBQESA-N 0 3 283.328 2.023 20 5 CEBDHN CC(COC(=O)[C@H](C)CCOc1ccccc1)[N+](=O)[O-] ZINC000813106755 623030182 /nfs/dbraw/zinc/03/01/82/623030182.db2.gz GMHULUWHONHIBU-VXGBXAGGSA-N 0 3 281.308 2.300 20 5 CEBDHN COCCOC[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000742377610 623426041 /nfs/dbraw/zinc/42/60/41/623426041.db2.gz WHYKXFKUNUKHLR-LBPRGKRZSA-N 0 3 282.340 2.044 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccsc2)cc1 ZINC000219104590 624944887 /nfs/dbraw/zinc/94/48/87/624944887.db2.gz GCEQUOQRWAMDER-ZDUSSCGKSA-N 0 3 278.333 2.480 20 5 CEBDHN Cc1oc(Br)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000821166932 634644915 /nfs/dbraw/zinc/64/49/15/634644915.db2.gz KPOWRHAXOXOTFU-YFKPBYRVSA-N 0 3 292.085 2.173 20 5 CEBDHN C[C@@H]([NH2+]C[C@H]1CCCCCN1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000902481763 634700122 /nfs/dbraw/zinc/70/01/22/634700122.db2.gz GQESKRQSRDNFKG-VXGBXAGGSA-N 0 3 293.367 2.483 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]CC[C@H](C)F)c1[N+](=O)[O-] ZINC000894623753 629563058 /nfs/dbraw/zinc/56/30/58/629563058.db2.gz JNCGMEKDPKJGSS-QMMMGPOBSA-N 0 3 272.276 2.147 20 5 CEBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000894657185 629577506 /nfs/dbraw/zinc/57/75/06/629577506.db2.gz JIKFRUSCTLXJDO-BSLXNSKLSA-N 0 3 294.351 2.438 20 5 CEBDHN CC[C@H]1CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647192 629641974 /nfs/dbraw/zinc/64/19/74/629641974.db2.gz BRFHKNIHRVAPSV-AAEUAGOBSA-N 0 3 250.298 2.113 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](O)[C@@H](C)C1 ZINC000897676314 631862253 /nfs/dbraw/zinc/86/22/53/631862253.db2.gz KSVVCBZGHAPWTC-HZMBPMFUSA-N 0 3 264.325 2.024 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813102271 632621548 /nfs/dbraw/zinc/62/15/48/632621548.db2.gz CZXZKAWGRZPTEL-NWDGAFQWSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)C[C@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000813102272 632621814 /nfs/dbraw/zinc/62/18/14/632621814.db2.gz CZXZKAWGRZPTEL-RYUDHWBXSA-N 0 3 277.320 2.390 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@]12CCCc1ccccc12)[N+](=O)[O-] ZINC000813102753 632621932 /nfs/dbraw/zinc/62/19/32/632621932.db2.gz USGAPLVJVJFKNH-DJSGYFEHSA-N 0 3 289.331 2.489 20 5 CEBDHN CCCc1c(C(=O)OCC(C)[N+](=O)[O-])[nH]c(C)c1C(C)=O ZINC000813104491 632622496 /nfs/dbraw/zinc/62/24/96/632622496.db2.gz DGELAYFFIISKOB-QMMMGPOBSA-N 0 3 296.323 2.300 20 5 CEBDHN CC(COC(=O)/C=C\c1ccc2[nH]ccc2c1)[N+](=O)[O-] ZINC000813105789 632623252 /nfs/dbraw/zinc/62/32/52/632623252.db2.gz UODFDRGBKKCPRM-ATPLWMGHSA-N 0 3 274.276 2.390 20 5 CEBDHN CSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105240 632623443 /nfs/dbraw/zinc/62/34/43/632623443.db2.gz KZIKLKARGSMRIA-MRVPVSSYSA-N 0 3 255.295 2.231 20 5 CEBDHN CC(C)c1noc2ncc(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000813106141 632623714 /nfs/dbraw/zinc/62/37/14/632623714.db2.gz ZGHBEGXDIVNXKJ-MRVPVSSYSA-N 0 3 293.279 2.168 20 5 CEBDHN COc1ccc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106891 632624162 /nfs/dbraw/zinc/62/41/62/632624162.db2.gz HILIAFURPGGMSD-SSDOTTSWSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)[C@H](C)OC1CCCCCC1)[N+](=O)[O-] ZINC000813107856 632625014 /nfs/dbraw/zinc/62/50/14/632625014.db2.gz XZCDQNBUCHASRU-MNOVXSKESA-N 0 3 273.329 2.323 20 5 CEBDHN CC(COC(=O)c1cccn1Cc1ccccc1)[N+](=O)[O-] ZINC000813108135 632625928 /nfs/dbraw/zinc/62/59/28/632625928.db2.gz AZIURYGQXOMAGE-GFCCVEGCSA-N 0 3 288.303 2.358 20 5 CEBDHN CC(COC(=O)c1sccc1OC(F)F)[N+](=O)[O-] ZINC000813110658 632626822 /nfs/dbraw/zinc/62/68/22/632626822.db2.gz HATBVJUIQFZMDQ-RXMQYKEDSA-N 0 3 281.236 2.172 20 5 CEBDHN CC(C)Cc1nc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813109899 632626864 /nfs/dbraw/zinc/62/68/64/632626864.db2.gz QCZYXJPOBSONPC-MRVPVSSYSA-N 0 3 272.326 2.164 20 5 CEBDHN CC(COC(=O)c1ccc(Br)cc1)[N+](=O)[O-] ZINC000813110988 632627131 /nfs/dbraw/zinc/62/71/31/632627131.db2.gz NRNAWUAOTYPZSS-ZETCQYMHSA-N 0 3 288.097 2.271 20 5 CEBDHN CC(COC(=O)c1cccc(C(F)F)c1)[N+](=O)[O-] ZINC000813111766 632627858 /nfs/dbraw/zinc/62/78/58/632627858.db2.gz XBSURADHNZFAOG-SSDOTTSWSA-N 0 3 259.208 2.446 20 5 CEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000813113769 632628202 /nfs/dbraw/zinc/62/82/02/632628202.db2.gz VCGHYRGDFCYUOZ-RNKPRXRFSA-N 0 3 294.263 2.207 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CCCCO2)cc1 ZINC000813332572 632670378 /nfs/dbraw/zinc/67/03/78/632670378.db2.gz CKGLSEHWNLDOGZ-CQSZACIVSA-N 0 3 280.324 2.228 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128497 634983823 /nfs/dbraw/zinc/98/38/23/634983823.db2.gz ZSTFNICZSNQABW-GXSJLCMTSA-N 0 3 266.297 2.043 20 5 CEBDHN COc1cc([C@H](C)N[C@@H]2CO[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903194434 635005428 /nfs/dbraw/zinc/00/54/28/635005428.db2.gz MZWVTNMSCVICKH-NHCYSSNCSA-N 0 3 280.324 2.431 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2C[C@@](C)(O)C2)cc([N+](=O)[O-])c1 ZINC000903190265 635013904 /nfs/dbraw/zinc/01/39/04/635013904.db2.gz RDEWFMLCJQQSKB-NURSFMCSSA-N 0 3 280.324 2.167 20 5 CEBDHN C[C@H](N[C@H]1CCN(C)[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000903302220 635049175 /nfs/dbraw/zinc/04/91/75/635049175.db2.gz XGUVFAOGGSZUTJ-NHCYSSNCSA-N 0 3 281.331 2.477 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@]1(F)c1ccccc1)[N+](=O)[O-] ZINC000842364413 640030413 /nfs/dbraw/zinc/03/04/13/640030413.db2.gz WMYDYTAJUDKSGJ-IRUJWGPZSA-N 0 3 267.256 2.080 20 5 CEBDHN CC(COC(=O)[C@]1(C)CCc2ccccc21)[N+](=O)[O-] ZINC000842802469 640188151 /nfs/dbraw/zinc/18/81/51/640188151.db2.gz ZQNZXRGQRDWIDL-IINYFYTJSA-N 0 3 263.293 2.099 20 5 CEBDHN Cc1nc2ccccc2n1C[C@H]1CCCN1CC[N+](=O)[O-] ZINC000930094381 641073925 /nfs/dbraw/zinc/07/39/25/641073925.db2.gz KAXZGABKFBVBQU-CYBMUJFWSA-N 0 3 288.351 2.086 20 5 CEBDHN CC(COC(=O)CC[C@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000851037200 642890385 /nfs/dbraw/zinc/89/03/85/642890385.db2.gz SGPYFRDITDZEDN-BQBZGAKWSA-N 0 3 270.112 2.169 20 5 CEBDHN CC(C)O[C@]1(CNCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000922611167 643161321 /nfs/dbraw/zinc/16/13/21/643161321.db2.gz HWBPUQLMEOHYCC-HNNXBMFYSA-N 0 3 294.351 2.269 20 5 CEBDHN Cc1cc(CCNCc2csc([N+](=O)[O-])c2)nn1C ZINC000922690663 643206547 /nfs/dbraw/zinc/20/65/47/643206547.db2.gz YHLTYQKTOUUHJQ-UHFFFAOYSA-N 0 3 280.353 2.031 20 5 CEBDHN CC(C)[C@H]1CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759073258 644982863 /nfs/dbraw/zinc/98/28/63/644982863.db2.gz VOXUXDHOQUACJO-KGLIPLIRSA-N 0 3 264.325 2.359 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)C1CC1 ZINC000809752317 645206382 /nfs/dbraw/zinc/20/63/82/645206382.db2.gz QKSDPLOWAJWTMJ-CYBMUJFWSA-N 0 3 284.743 2.451 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccsc1)[N+](=O)[O-] ZINC000860776311 645901896 /nfs/dbraw/zinc/90/18/96/645901896.db2.gz DPMOFJGMHLSETD-FKTZTGRPSA-N 0 3 255.295 2.060 20 5 CEBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000776585629 647075328 /nfs/dbraw/zinc/07/53/28/647075328.db2.gz YIVKWOWMTGQCAC-CQSZACIVSA-N 0 3 294.351 2.129 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cs1 ZINC000865691440 647425546 /nfs/dbraw/zinc/42/55/46/647425546.db2.gz BBYNPTZKOOKWHK-STXZSOOUSA-N 0 3 280.349 2.169 20 5 CEBDHN CC(C)N(CCO)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783507072 647722124 /nfs/dbraw/zinc/72/21/24/647722124.db2.gz BGNXVPCABMLZRG-UHFFFAOYSA-N 0 3 272.732 2.451 20 5 CEBDHN O=[N+]([O-])CCN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000791053842 648477362 /nfs/dbraw/zinc/47/73/62/648477362.db2.gz HZXJYMPFSPWQMZ-GXTWGEPZSA-N 0 3 264.325 2.021 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@]12CCC[C@H]1OCC2 ZINC000872310160 649352825 /nfs/dbraw/zinc/35/28/25/649352825.db2.gz PEIDZHAQMDEHPM-CABCVRRESA-N 0 3 292.335 2.405 20 5 CEBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1F ZINC000872780329 649487388 /nfs/dbraw/zinc/48/73/88/649487388.db2.gz XVBCKBPPDOVTAB-ZIAGYGMSSA-N 0 3 279.315 2.407 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)C[S@](C)=O ZINC000873105350 649558883 /nfs/dbraw/zinc/55/88/83/649558883.db2.gz ZSKZZZKIVLSJAQ-DGIBIBHMSA-N 0 3 284.381 2.068 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000881211918 651629521 /nfs/dbraw/zinc/62/95/21/651629521.db2.gz KBXAUBACAKZHNX-LBPRGKRZSA-N 0 3 289.339 2.343 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808969 651889523 /nfs/dbraw/zinc/88/95/23/651889523.db2.gz KPPDEGBLKOMKDY-JTQLQIEISA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@H]1CCCN(CCNc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881808752 651889601 /nfs/dbraw/zinc/88/96/01/651889601.db2.gz BXTRGSBUDZMJGY-JTQLQIEISA-N 0 3 282.319 2.273 20 5 CEBDHN CC(=O)c1c(N(C)C[C@@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000882473352 652089095 /nfs/dbraw/zinc/08/90/95/652089095.db2.gz RTBPMYGYCOLEFC-LBPRGKRZSA-N 0 3 291.351 2.328 20 5 CEBDHN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC001225440329 804879256 /nfs/dbraw/zinc/87/92/56/804879256.db2.gz FHTLTGBILWEDNN-GFCCVEGCSA-N 0 3 280.324 2.467 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C ZINC001120727620 815264335 /nfs/dbraw/zinc/26/43/35/815264335.db2.gz XWWNBQGECJQHAQ-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1c(C(=O)NC[C@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC001121246745 815323492 /nfs/dbraw/zinc/32/34/92/815323492.db2.gz XDEGGJBSRNZLKW-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1c(C(=O)NC[C@@H]2CCCCN2C)cccc1[N+](=O)[O-] ZINC001121246747 815323605 /nfs/dbraw/zinc/32/36/05/815323605.db2.gz XDEGGJBSRNZLKW-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CCCCN(CC(=O)OCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169049040 811357530 /nfs/dbraw/zinc/35/75/30/811357530.db2.gz VUJJLNHPHSSDEF-STQMWFEESA-N 0 3 286.372 2.097 20 5 CEBDHN COc1ccc(C[C@H](C)NC(C)(C)C(C)=O)c([N+](=O)[O-])c1 ZINC001170298599 812377266 /nfs/dbraw/zinc/37/72/66/812377266.db2.gz MYEWGEHJSZHCLS-JTQLQIEISA-N 0 3 294.351 2.492 20 5 CEBDHN NCc1ccn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172897589 815539864 /nfs/dbraw/zinc/53/98/64/815539864.db2.gz AQDZZFSEIGXHPZ-AWEZNQCLSA-N 0 3 286.335 2.370 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@H]1COC[C@@H]1F)CC2 ZINC001172908052 815541157 /nfs/dbraw/zinc/54/11/57/815541157.db2.gz WOMQCBRTCVAARS-QEJZJMRPSA-N 0 3 294.326 2.169 20 5 CEBDHN CCC(CC)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123819422 815561882 /nfs/dbraw/zinc/56/18/82/815561882.db2.gz BYNATPVHOYODEJ-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN CN1CC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000712555793 814766024 /nfs/dbraw/zinc/76/60/24/814766024.db2.gz HLNYXDOPEQSIBZ-LBPRGKRZSA-N 0 3 272.308 2.259 20 5 CEBDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037782986 361937581 /nfs/dbraw/zinc/93/75/81/361937581.db2.gz PMJDSXVZCRWTOT-VXGBXAGGSA-N 0 3 291.351 2.256 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCc2ccncc2)c1 ZINC000037871549 361957746 /nfs/dbraw/zinc/95/77/46/361957746.db2.gz ZDAGLBDKFMIJFL-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN C[C@H](NC[C@@]1(CCO)CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000125745526 187198321 /nfs/dbraw/zinc/19/83/21/187198321.db2.gz ZAKYQYLDKDMNPY-SWLSCSKDSA-N 0 3 294.351 2.035 20 5 CEBDHN Cc1ccc(NC(=O)[C@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000126041687 187212790 /nfs/dbraw/zinc/21/27/90/187212790.db2.gz QCDRAYAZJIEURL-JOYOIKCWSA-N 0 3 277.324 2.230 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000567795410 299092332 /nfs/dbraw/zinc/09/23/32/299092332.db2.gz ULNKEAWNJWQOGY-DOMZBBRYSA-N 0 3 292.335 2.084 20 5 CEBDHN COc1cc(C[NH2+][C@@H](C)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000449447264 282241055 /nfs/dbraw/zinc/24/10/55/282241055.db2.gz YELIYMVYZPRSCP-QMMMGPOBSA-N 0 3 266.297 2.197 20 5 CEBDHN C[C@@H](CC(C)(C)O)NCc1cccc([N+](=O)[O-])c1 ZINC000295018288 199301925 /nfs/dbraw/zinc/30/19/25/199301925.db2.gz KHRXGPQPPGGCOG-JTQLQIEISA-N 0 3 252.314 2.234 20 5 CEBDHN CNC(=O)C[C@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449598865 282298598 /nfs/dbraw/zinc/29/85/98/282298598.db2.gz DRNJHDFNSZBMQT-NSHDSACASA-N 0 3 293.367 2.332 20 5 CEBDHN Cc1cnc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660891 343960437 /nfs/dbraw/zinc/96/04/37/343960437.db2.gz XOWUYNILRZQQHR-ZDUSSCGKSA-N 0 3 290.367 2.363 20 5 CEBDHN CC(C)C[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602439313 347033094 /nfs/dbraw/zinc/03/30/94/347033094.db2.gz JUVVQUIKBPAVCR-GFCCVEGCSA-N 0 3 266.345 2.339 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000156202504 344441756 /nfs/dbraw/zinc/44/17/56/344441756.db2.gz NJZAEMZQLHRKIH-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN CC[C@H](NCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157376271 344445940 /nfs/dbraw/zinc/44/59/40/344445940.db2.gz XWCHYLPORWYMSI-ZDUSSCGKSA-N 0 3 264.325 2.408 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](O)C1CC1 ZINC000160810511 344461938 /nfs/dbraw/zinc/46/19/38/344461938.db2.gz UTFYSCWGDZTCIW-HZMBPMFUSA-N 0 3 264.325 2.359 20 5 CEBDHN Cc1cc(N[C@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000220211691 344537948 /nfs/dbraw/zinc/53/79/48/344537948.db2.gz XDIGRNZRKQEPCB-QWRGUYRKSA-N 0 3 264.329 2.193 20 5 CEBDHN O=[N+]([O-])c1ccc2ncnc(N[C@H]3CCN(C4CC4)C3)c2c1 ZINC000315888725 344748350 /nfs/dbraw/zinc/74/83/50/344748350.db2.gz BGEWMGPVCNWAAO-JTQLQIEISA-N 0 3 299.334 2.187 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNCCC[C@H]1CCO1 ZINC000602547150 347072633 /nfs/dbraw/zinc/07/26/33/347072633.db2.gz AJSJTPIKAVTUFO-ZDUSSCGKSA-N 0 3 280.324 2.262 20 5 CEBDHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000402305711 344872198 /nfs/dbraw/zinc/87/21/98/344872198.db2.gz KDHWMTGIGNGTCF-VWYCJHECSA-N 0 3 250.298 2.423 20 5 CEBDHN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000584819064 344989527 /nfs/dbraw/zinc/98/95/27/344989527.db2.gz SCGUWYWKJBPBSF-CYBMUJFWSA-N 0 3 292.339 2.232 20 5 CEBDHN Cc1ccc(CN2CC[C@@H]3CN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052497 345111714 /nfs/dbraw/zinc/11/17/14/345111714.db2.gz DAPSLQRBYKQYSL-UKRRQHHQSA-N 0 3 275.352 2.039 20 5 CEBDHN CC[C@@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000590723792 345168558 /nfs/dbraw/zinc/16/85/58/345168558.db2.gz RIESHLCBCVUHBD-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593066773 345432378 /nfs/dbraw/zinc/43/23/78/345432378.db2.gz DRBHFAXPFSVEHZ-CYBMUJFWSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H](CCO)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593694995 345523178 /nfs/dbraw/zinc/52/31/78/345523178.db2.gz VRUMMEZCQWTWCN-HOSRBBHYSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)CC1CC1 ZINC000594499074 345639114 /nfs/dbraw/zinc/63/91/14/345639114.db2.gz AGKUYAJLEBGTCH-RISCZKNCSA-N 0 3 276.336 2.333 20 5 CEBDHN O=[N+]([O-])c1ccc(-n2cc(CNC3CCCC3)nn2)cc1 ZINC000594640052 345664366 /nfs/dbraw/zinc/66/43/66/345664366.db2.gz FZCAORJGNBEKSH-UHFFFAOYSA-N 0 3 287.323 2.208 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595110250 345743529 /nfs/dbraw/zinc/74/35/29/345743529.db2.gz ZQIAPDLUOGDGHP-BIMULSAOSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1cccc2[nH]c(CNCCn3cc([N+](=O)[O-])cn3)cc21 ZINC000594930275 345706046 /nfs/dbraw/zinc/70/60/46/345706046.db2.gz DTUPNRROVKJNTM-UHFFFAOYSA-N 0 3 299.334 2.371 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCN1C ZINC000595010878 345725982 /nfs/dbraw/zinc/72/59/82/345725982.db2.gz ZNPDQBYWIQBYLE-YPMHNXCESA-N 0 3 293.367 2.348 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CN(C)C ZINC000595052726 345735594 /nfs/dbraw/zinc/73/55/94/345735594.db2.gz URHDSZXVGDXGIC-WDEREUQCSA-N 0 3 281.356 2.204 20 5 CEBDHN COC[C@@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000595509543 345799649 /nfs/dbraw/zinc/79/96/49/345799649.db2.gz HGUZVZWLRKSPGJ-LLVKDONJSA-N 0 3 282.340 2.081 20 5 CEBDHN C[NH+](C)CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596192928 345965895 /nfs/dbraw/zinc/96/58/95/345965895.db2.gz YNFZVUQGJQZYFL-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN Cc1cc(Nc2cnn(CCN(C)C)c2)c([N+](=O)[O-])s1 ZINC000596097407 345939238 /nfs/dbraw/zinc/93/92/38/345939238.db2.gz NUAMOFCJNWZHIA-UHFFFAOYSA-N 0 3 295.368 2.466 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(=O)n1C[C@H]1CCCCN1C(C)C ZINC000596268973 345986222 /nfs/dbraw/zinc/98/62/22/345986222.db2.gz OWBZJXQLTTVGPI-CYBMUJFWSA-N 0 3 293.367 2.328 20 5 CEBDHN Cc1cc(NC[C@H]2CCN2C(C)(C)C)ncc1[N+](=O)[O-] ZINC000596309292 345995997 /nfs/dbraw/zinc/99/59/97/345995997.db2.gz XRDJKMQMPJSYIB-LLVKDONJSA-N 0 3 278.356 2.005 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C(C)(C)C)C1 ZINC000596334494 346002303 /nfs/dbraw/zinc/00/23/03/346002303.db2.gz AKMQLPWNGCOAOB-NSHDSACASA-N 0 3 295.387 2.404 20 5 CEBDHN Cc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000128302295 187362442 /nfs/dbraw/zinc/36/24/42/187362442.db2.gz MPYGUBXBCAQBJM-STQMWFEESA-N 0 3 264.325 2.152 20 5 CEBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000596452438 346027577 /nfs/dbraw/zinc/02/75/77/346027577.db2.gz DIMRGYMQNBQCOY-UHFFFAOYSA-N 0 3 286.335 2.141 20 5 CEBDHN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597859027 346239817 /nfs/dbraw/zinc/23/98/17/346239817.db2.gz QCBKXXKCQVDIRK-CYBMUJFWSA-N 0 3 291.351 2.197 20 5 CEBDHN CO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599014819 346446396 /nfs/dbraw/zinc/44/63/96/346446396.db2.gz GUHPTCSZZSHZQP-HOMQSWHASA-N 0 3 254.261 2.001 20 5 CEBDHN CO[C@H]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599093137 346459090 /nfs/dbraw/zinc/45/90/90/346459090.db2.gz OVAXYOGHYJLKPC-IRUJWGPZSA-N 0 3 250.298 2.423 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H](CO)c2ccccc2)cc1 ZINC000063002552 362741459 /nfs/dbraw/zinc/74/14/59/362741459.db2.gz MEJVWSJWDJKRRQ-MRXNPFEDSA-N 0 3 286.331 2.461 20 5 CEBDHN C[C@]12CCCC[C@H]1CN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000599671682 346559315 /nfs/dbraw/zinc/55/93/15/346559315.db2.gz QSIILHRIWFSZJX-WFASDCNBSA-N 0 3 291.351 2.021 20 5 CEBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1(F)F ZINC000599513318 346531095 /nfs/dbraw/zinc/53/10/95/346531095.db2.gz SAVZDUUBSZMEIE-NXEZZACHSA-N 0 3 288.298 2.014 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599638436 346551300 /nfs/dbraw/zinc/55/13/00/346551300.db2.gz YWDNTWMGTAAUHB-DZGCQCFKSA-N 0 3 276.336 2.189 20 5 CEBDHN CCC[C@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000601140554 346766965 /nfs/dbraw/zinc/76/69/65/346766965.db2.gz YKFMVBCZPKAEQP-GFCCVEGCSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@](CO)(NC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000601148489 346769839 /nfs/dbraw/zinc/76/98/39/346769839.db2.gz COEDBPOKUIVQAV-SMDDNHRTSA-N 0 3 296.392 2.145 20 5 CEBDHN O=[N+]([O-])c1ccc2nccc(N[C@H]3CCN(C4CC4)C3)c2c1 ZINC000601109682 346755490 /nfs/dbraw/zinc/75/54/90/346755490.db2.gz WUMKOBHXSHQXQL-NSHDSACASA-N 0 3 298.346 2.214 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CC3(C2)CCCOC3)cc1 ZINC000602687847 347147013 /nfs/dbraw/zinc/14/70/13/347147013.db2.gz FKYCKRIVIIAYIS-UHFFFAOYSA-N 0 3 276.336 2.250 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccccc1 ZINC000602807558 347207611 /nfs/dbraw/zinc/20/76/11/347207611.db2.gz VYPVRYQMFBYETC-NSHDSACASA-N 0 3 274.324 2.451 20 5 CEBDHN CCC[C@@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602811932 347210389 /nfs/dbraw/zinc/21/03/89/347210389.db2.gz ZZISHNDHTFSJQZ-GFCCVEGCSA-N 0 3 266.345 2.483 20 5 CEBDHN CC[C@@]1(O)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000602740020 347180973 /nfs/dbraw/zinc/18/09/73/347180973.db2.gz QAOSUFHEENVYLQ-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)=C(C)C1 ZINC000602829775 347216604 /nfs/dbraw/zinc/21/66/04/347216604.db2.gz VQAVUGMOGILYDR-UHFFFAOYSA-N 0 3 264.329 2.142 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000065223079 362805123 /nfs/dbraw/zinc/80/51/23/362805123.db2.gz VBMCWLWSNXMXHT-AWEZNQCLSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CCC[C@@H]32)c1 ZINC000610585341 347694381 /nfs/dbraw/zinc/69/43/81/347694381.db2.gz LFFZYBJBAOJSFG-FZMZJTMJSA-N 0 3 262.309 2.458 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCOC1 ZINC000611337217 347767464 /nfs/dbraw/zinc/76/74/64/347767464.db2.gz IUGTYAASWXDPCR-QWRGUYRKSA-N 0 3 250.298 2.343 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](O)C1CC1 ZINC000611206788 347751130 /nfs/dbraw/zinc/75/11/30/347751130.db2.gz IFYHIGCSDROMCR-YGRLFVJLSA-N 0 3 264.325 2.359 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000336842719 365916820 /nfs/dbraw/zinc/91/68/20/365916820.db2.gz VCLZUHRBPRGHLE-LLVKDONJSA-N 0 3 282.340 2.196 20 5 CEBDHN COc1cc(CNC2(CO)CCCCC2)ccc1[N+](=O)[O-] ZINC000611516751 347789467 /nfs/dbraw/zinc/78/94/67/347789467.db2.gz QENBVLABMKDMHT-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000612134770 347848349 /nfs/dbraw/zinc/84/83/49/347848349.db2.gz CRALIIMQZZFCIC-DZGBDDFRSA-N 0 3 276.336 2.359 20 5 CEBDHN C=Cn1cc(CNCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000618600490 348994232 /nfs/dbraw/zinc/99/42/32/348994232.db2.gz SVOUYPYFXFBWEG-UHFFFAOYSA-N 0 3 272.308 2.224 20 5 CEBDHN CN(CCN1CCCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352029496 219295649 /nfs/dbraw/zinc/29/56/49/219295649.db2.gz RTJNRRSFJZWVPO-UHFFFAOYSA-N 0 3 299.321 2.401 20 5 CEBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cn[nH]c1 ZINC000274064351 192424893 /nfs/dbraw/zinc/42/48/93/192424893.db2.gz PDFDPFMGKIZCNP-SNVBAGLBSA-N 0 3 276.296 2.048 20 5 CEBDHN CCC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552241 180002749 /nfs/dbraw/zinc/00/27/49/180002749.db2.gz LDJQDIWIIILVEA-CYBMUJFWSA-N 0 3 293.367 2.269 20 5 CEBDHN CN(CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271292742 191055921 /nfs/dbraw/zinc/05/59/21/191055921.db2.gz CKHFJXQZOMJWQF-UHFFFAOYSA-N 0 3 272.308 2.059 20 5 CEBDHN Cc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000091672912 180224457 /nfs/dbraw/zinc/22/44/57/180224457.db2.gz IEEVRBFIAPPNEM-OLZOCXBDSA-N 0 3 291.351 2.178 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091672586 180224670 /nfs/dbraw/zinc/22/46/70/180224670.db2.gz AODNJKHTYOVYTB-KGLIPLIRSA-N 0 3 291.351 2.178 20 5 CEBDHN NC(=O)CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000339713368 215310191 /nfs/dbraw/zinc/31/01/91/215310191.db2.gz ZXTBZZFREFVHCU-LBPRGKRZSA-N 0 3 291.351 2.072 20 5 CEBDHN CCOCCN(CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000107677827 186184905 /nfs/dbraw/zinc/18/49/05/186184905.db2.gz OAZPUKIXZGTBRS-UHFFFAOYSA-N 0 3 282.340 2.332 20 5 CEBDHN C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000122914904 187059106 /nfs/dbraw/zinc/05/91/06/187059106.db2.gz GQFUMXAAPMSMEH-BXUZGUMPSA-N 0 3 291.351 2.150 20 5 CEBDHN Cc1cc(N2C[C@H]3CCC[C@@H](C2)N3)c(F)cc1[N+](=O)[O-] ZINC000569337279 299196260 /nfs/dbraw/zinc/19/62/60/299196260.db2.gz OYSYPEVOQPPQGP-PHIMTYICSA-N 0 3 279.315 2.373 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423596 188017207 /nfs/dbraw/zinc/01/72/07/188017207.db2.gz CQFPOUWEWFEZNJ-VXGBXAGGSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1c([C@@H](C)N[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000152423771 188017738 /nfs/dbraw/zinc/01/77/38/188017738.db2.gz CQFPOUWEWFEZNJ-NEPJUHHUSA-N 0 3 291.351 2.175 20 5 CEBDHN CCN1CCC(N(C)c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074739168 363380258 /nfs/dbraw/zinc/38/02/58/363380258.db2.gz WCOBIILTESOFSH-UHFFFAOYSA-N 0 3 278.356 2.219 20 5 CEBDHN CC[C@H](NCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000271777423 191321245 /nfs/dbraw/zinc/32/12/45/191321245.db2.gz KENFWZTWNQARCE-AWEZNQCLSA-N 0 3 291.351 2.258 20 5 CEBDHN COC(=O)CCCCCNCc1ccccc1[N+](=O)[O-] ZINC000271791490 191331080 /nfs/dbraw/zinc/33/10/80/191331080.db2.gz GYOXFZBPWPQOKG-UHFFFAOYSA-N 0 3 280.324 2.418 20 5 CEBDHN COCCOC[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000075953725 363500378 /nfs/dbraw/zinc/50/03/78/363500378.db2.gz NQVOVTGIUVXWPE-ZDUSSCGKSA-N 0 3 294.351 2.080 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000134418377 366319712 /nfs/dbraw/zinc/31/97/12/366319712.db2.gz LPJUOUFPMGCNSU-CYBMUJFWSA-N 0 3 266.341 2.434 20 5 CEBDHN CCOc1cccc(NCCN(C)CC)c1[N+](=O)[O-] ZINC000134917213 366373236 /nfs/dbraw/zinc/37/32/36/366373236.db2.gz GSAAGXTWLYKTKB-UHFFFAOYSA-N 0 3 267.329 2.357 20 5 CEBDHN COc1cc(CNCC[C@@H](C)OC)c([N+](=O)[O-])cc1OC ZINC000338710551 366482512 /nfs/dbraw/zinc/48/25/12/366482512.db2.gz VTTPDOZJPMSGND-SNVBAGLBSA-N 0 3 298.339 2.127 20 5 CEBDHN C[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCCC[C@H]1C ZINC000339003815 366610117 /nfs/dbraw/zinc/61/01/17/366610117.db2.gz QEYYACHUZIGROW-GHMZBOCLSA-N 0 3 281.360 2.003 20 5 CEBDHN COCC[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000178375281 189111526 /nfs/dbraw/zinc/11/15/26/189111526.db2.gz GIRCRGOVCHFTOZ-SWLSCSKDSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1nccnc1C ZINC000339531025 366702486 /nfs/dbraw/zinc/70/24/86/366702486.db2.gz UHNHQJJWKDMRLL-UHFFFAOYSA-N 0 3 286.335 2.334 20 5 CEBDHN COC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183246585 189351977 /nfs/dbraw/zinc/35/19/77/189351977.db2.gz ZOYHUBOAFLXPPS-CYBMUJFWSA-N 0 3 292.335 2.288 20 5 CEBDHN Cc1ccc(CN[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000088503424 363901969 /nfs/dbraw/zinc/90/19/69/363901969.db2.gz FMBCYXJTQMMQMI-NSHDSACASA-N 0 3 252.314 2.154 20 5 CEBDHN Cc1ccc(CN2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588552 364084181 /nfs/dbraw/zinc/08/41/81/364084181.db2.gz ZXWMHWWTATYPKK-CYBMUJFWSA-N 0 3 291.351 2.133 20 5 CEBDHN C[C@@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356979710 370802768 /nfs/dbraw/zinc/80/27/68/370802768.db2.gz FDVJLHYENYDHHK-NEPJUHHUSA-N 0 3 263.341 2.119 20 5 CEBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000275537203 193070487 /nfs/dbraw/zinc/07/04/87/193070487.db2.gz YCIAWRRZSNSAAN-CQSZACIVSA-N 0 3 294.351 2.066 20 5 CEBDHN COCCN(C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159363719 366906348 /nfs/dbraw/zinc/90/63/48/366906348.db2.gz AGAXQAZIWYLDFN-ZDUSSCGKSA-N 0 3 295.383 2.132 20 5 CEBDHN Cc1c(CN2CC[C@H]([C@@H](C)O)C2)cccc1[N+](=O)[O-] ZINC000162757703 367186853 /nfs/dbraw/zinc/18/68/53/367186853.db2.gz MLXOOPVBUCHVSO-YPMHNXCESA-N 0 3 264.325 2.106 20 5 CEBDHN COCCCN(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000166820213 367329649 /nfs/dbraw/zinc/32/96/49/367329649.db2.gz BJACMQTUVUVEAB-CYBMUJFWSA-N 0 3 295.383 2.214 20 5 CEBDHN CC[C@@H](O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168134888 367346617 /nfs/dbraw/zinc/34/66/17/367346617.db2.gz RODDNTZHCUJLMM-LLVKDONJSA-N 0 3 272.732 2.499 20 5 CEBDHN CSCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172715120 367806517 /nfs/dbraw/zinc/80/65/17/367806517.db2.gz PUQDGELOBNNXJE-UHFFFAOYSA-N 0 3 295.408 2.470 20 5 CEBDHN Cc1cc(N[C@@H]2CCCN(C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000343535539 367869312 /nfs/dbraw/zinc/86/93/12/367869312.db2.gz QEXGGNVYHBRMNM-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN COc1ccc(OCCN2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000174420553 368021435 /nfs/dbraw/zinc/02/14/35/368021435.db2.gz DJWVLZFPXRGTHJ-LLVKDONJSA-N 0 3 280.324 2.467 20 5 CEBDHN COc1ccc(OCCN2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000174420566 368021449 /nfs/dbraw/zinc/02/14/49/368021449.db2.gz DJWVLZFPXRGTHJ-NSHDSACASA-N 0 3 280.324 2.467 20 5 CEBDHN C[C@H](CN(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000346159929 368567549 /nfs/dbraw/zinc/56/75/49/368567549.db2.gz BJELMAVVPWGCEN-SECBINFHSA-N 0 3 291.307 2.021 20 5 CEBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000348699078 369123110 /nfs/dbraw/zinc/12/31/10/369123110.db2.gz AGSUQBXHRRKCAZ-WAFBPQNNSA-N 0 3 264.325 2.311 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(F)cc3)CC2)c1 ZINC000350129364 369512300 /nfs/dbraw/zinc/51/23/00/369512300.db2.gz ZGXQMFREEOXINW-UHFFFAOYSA-N 0 3 290.298 2.209 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC2)C1 ZINC000352716827 369852636 /nfs/dbraw/zinc/85/26/36/369852636.db2.gz HMQNRKPERRKYPT-CQSZACIVSA-N 0 3 293.342 2.402 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CO)C(C)C ZINC000352871472 369924425 /nfs/dbraw/zinc/92/44/25/369924425.db2.gz OKYAJILCSPNKOZ-AWEZNQCLSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1cc(CCNCc2ccc([N+](=O)[O-])cc2)on1 ZINC000353083644 370012407 /nfs/dbraw/zinc/01/24/07/370012407.db2.gz GIRRXVIOVUOTPQ-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN Cc1ccc(CN[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000194633805 370059998 /nfs/dbraw/zinc/05/99/98/370059998.db2.gz VEQBOHZSIQRCKT-CYBMUJFWSA-N 0 3 266.341 2.400 20 5 CEBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000354004732 370174182 /nfs/dbraw/zinc/17/41/82/370174182.db2.gz ZMOFLONLYFVHJH-LLVKDONJSA-N 0 3 266.345 2.159 20 5 CEBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000227651660 370378527 /nfs/dbraw/zinc/37/85/27/370378527.db2.gz RCBLEODNHLARSB-VIFPVBQESA-N 0 3 284.747 2.397 20 5 CEBDHN COC[C@H](CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227715812 370382117 /nfs/dbraw/zinc/38/21/17/370382117.db2.gz RWPYRSGTSVKYQQ-YPMHNXCESA-N 0 3 282.340 2.215 20 5 CEBDHN COC1CC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000230674649 370463494 /nfs/dbraw/zinc/46/34/94/370463494.db2.gz PMUUTLQSOASCMV-FJJSSXBZSA-N 0 3 250.298 2.423 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@@H]2C[C@@H]3OCCC[C@@H]23)cs1 ZINC000249453036 371323723 /nfs/dbraw/zinc/32/37/23/371323723.db2.gz CQVDRMCBSPPOBN-AXFHLTTASA-N 0 3 268.338 2.313 20 5 CEBDHN CCc1cnccc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000361135119 371671743 /nfs/dbraw/zinc/67/17/43/371671743.db2.gz KLOGLBXWTLPARX-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262765887 371906122 /nfs/dbraw/zinc/90/61/22/371906122.db2.gz JEPYLBOKCINVPG-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000361650942 372001976 /nfs/dbraw/zinc/00/19/76/372001976.db2.gz CFKVSXQMGWTBQP-LJXYTEIVSA-N 0 3 276.336 2.168 20 5 CEBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000269630548 372511071 /nfs/dbraw/zinc/51/10/71/372511071.db2.gz FLZSDKWGCHGAJF-CABCVRRESA-N 0 3 294.351 2.129 20 5 CEBDHN Cc1c(CN(C)C[C@@H]2CCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000270104930 372668108 /nfs/dbraw/zinc/66/81/08/372668108.db2.gz LRJVKJBYNQAVKX-ZFWWWQNUSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1cccc(N2CC[C@@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000365057288 372802261 /nfs/dbraw/zinc/80/22/61/372802261.db2.gz VLSUJGQLCRWGMF-JSGCOSHPSA-N 0 3 275.352 2.434 20 5 CEBDHN CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1N(C)C ZINC000270651149 372884284 /nfs/dbraw/zinc/88/42/84/372884284.db2.gz LVIUXZFMGDGKRW-UONOGXRCSA-N 0 3 295.408 2.072 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC([C@@H]2CCOC2)C1 ZINC000366244891 373014203 /nfs/dbraw/zinc/01/42/03/373014203.db2.gz GPXBILKUTVIRCG-CYBMUJFWSA-N 0 3 276.336 2.372 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC1(C)C ZINC000270991290 373052469 /nfs/dbraw/zinc/05/24/69/373052469.db2.gz DXRHDOXDOJGXKW-UHFFFAOYSA-N 0 3 293.367 2.129 20 5 CEBDHN COCCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271045582 373088644 /nfs/dbraw/zinc/08/86/44/373088644.db2.gz QNRBDDCEPLXACS-FNORWQNLSA-N 0 3 250.298 2.186 20 5 CEBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](O)C2)o1 ZINC000271124557 373132964 /nfs/dbraw/zinc/13/29/64/373132964.db2.gz ZMFVITPWYOHNOC-NSHDSACASA-N 0 3 288.303 2.421 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]([C@H](C)O)C1 ZINC000272515624 373528180 /nfs/dbraw/zinc/52/81/80/373528180.db2.gz GTRMKUMYXLAOKE-MDZLAQPJSA-N 0 3 264.325 2.359 20 5 CEBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000274122343 373819166 /nfs/dbraw/zinc/81/91/66/373819166.db2.gz XEHFCCCRSHEDBS-MNOVXSKESA-N 0 3 280.324 2.272 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCOC[C@H](C)C1 ZINC000371893151 374000855 /nfs/dbraw/zinc/00/08/55/374000855.db2.gz DORJRJYLVBLYKN-LLVKDONJSA-N 0 3 264.325 2.372 20 5 CEBDHN Cc1ccc(CN(C)CCCCCO)cc1[N+](=O)[O-] ZINC000279527339 374907306 /nfs/dbraw/zinc/90/73/06/374907306.db2.gz ZBXRXMLDSPIPOK-UHFFFAOYSA-N 0 3 266.341 2.498 20 5 CEBDHN COc1cc(NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000280149624 375107829 /nfs/dbraw/zinc/10/78/29/375107829.db2.gz FTFNJRUPOAMYHB-UHFFFAOYSA-N 0 3 277.324 2.277 20 5 CEBDHN C[C@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000280176357 375119318 /nfs/dbraw/zinc/11/93/18/375119318.db2.gz SSZHZUSTUZZMCS-HNNXBMFYSA-N 0 3 294.351 2.211 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283208725 375673606 /nfs/dbraw/zinc/67/36/06/375673606.db2.gz RUSCIZOXDKSWMS-GFCCVEGCSA-N 0 3 268.288 2.249 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CO)C1 ZINC000263793828 190078958 /nfs/dbraw/zinc/07/89/58/190078958.db2.gz RGMWLOONWBUIEH-RYUDHWBXSA-N 0 3 264.325 2.360 20 5 CEBDHN CO[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000289706745 376456553 /nfs/dbraw/zinc/45/65/53/376456553.db2.gz FCXGDUWXKBQOAJ-MNOVXSKESA-N 0 3 252.314 2.416 20 5 CEBDHN CCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000311401081 376666729 /nfs/dbraw/zinc/66/67/29/376666729.db2.gz FXQOSPOKHJUKEJ-ZDUSSCGKSA-N 0 3 270.304 2.375 20 5 CEBDHN CO[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311809011 376685919 /nfs/dbraw/zinc/68/59/19/376685919.db2.gz AUXUFNBMJMFHEM-CMPLNLGQSA-N 0 3 268.288 2.391 20 5 CEBDHN O=C(Nc1cccc2c1CNCC2)c1cccc([N+](=O)[O-])c1 ZINC000318337198 376811554 /nfs/dbraw/zinc/81/15/54/376811554.db2.gz UFGUUNMILRRADG-UHFFFAOYSA-N 0 3 297.314 2.493 20 5 CEBDHN CCNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000292857547 377315420 /nfs/dbraw/zinc/31/54/20/377315420.db2.gz CGDNBSQIWPMJCN-AWEZNQCLSA-N 0 3 293.367 2.154 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1NC[C@H]1CCCN(C)C1 ZINC000564224944 377363367 /nfs/dbraw/zinc/36/33/67/377363367.db2.gz AJDOZAVREQXERX-LLVKDONJSA-N 0 3 279.340 2.357 20 5 CEBDHN Cc1ccnc(N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265230189 190168100 /nfs/dbraw/zinc/16/81/00/190168100.db2.gz QPEBADHBPUFQKC-LBPRGKRZSA-N 0 3 278.356 2.076 20 5 CEBDHN CN(CC[C@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000437578332 377852479 /nfs/dbraw/zinc/85/24/79/377852479.db2.gz OAEQCJXNWXBSBR-LBPRGKRZSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(C3CC3)C[C@H](C)C2)n1 ZINC000295040228 378035893 /nfs/dbraw/zinc/03/58/93/378035893.db2.gz WZUZYTPMAUQGPV-NSHDSACASA-N 0 3 290.367 2.219 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000296311021 378487481 /nfs/dbraw/zinc/48/74/81/378487481.db2.gz GPFQFPGRUMMALS-JBLDHEPKSA-N 0 3 280.324 2.259 20 5 CEBDHN Cc1cc(N(C)[C@@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450950952 378658717 /nfs/dbraw/zinc/65/87/17/378658717.db2.gz FCRXSIRNSRWNEW-GFCCVEGCSA-N 0 3 278.356 2.217 20 5 CEBDHN C[C@H]1CCCN(CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000298765018 378824210 /nfs/dbraw/zinc/82/42/10/378824210.db2.gz SAXGAWUYWAKZTF-JTQLQIEISA-N 0 3 297.380 2.118 20 5 CEBDHN COC[C@](C)(O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453257401 378844723 /nfs/dbraw/zinc/84/47/23/378844723.db2.gz NDMDKJULXSZNPW-BXUZGUMPSA-N 0 3 282.340 2.033 20 5 CEBDHN CCOc1cc(CN[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278552522 194039596 /nfs/dbraw/zinc/03/95/96/194039596.db2.gz AYWMKGXINQMVOS-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN CCOCC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571836 194050248 /nfs/dbraw/zinc/05/02/48/194050248.db2.gz CBNKHILEJCJQLM-OCCSQVGLSA-N 0 3 296.367 2.341 20 5 CEBDHN CCOCC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000278571845 194050964 /nfs/dbraw/zinc/05/09/64/194050964.db2.gz CBNKHILEJCJQLM-TZMCWYRMSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1nccn1CCCNCc1csc([N+](=O)[O-])c1 ZINC000299658138 379095926 /nfs/dbraw/zinc/09/59/26/379095926.db2.gz VADDELJERSGGHW-UHFFFAOYSA-N 0 3 280.353 2.341 20 5 CEBDHN CCC[C@](C)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000304258445 379537648 /nfs/dbraw/zinc/53/76/48/379537648.db2.gz SKEJPQYWGJYRNV-CYBMUJFWSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC(N)=O)C1 ZINC000266936250 190291977 /nfs/dbraw/zinc/29/19/77/190291977.db2.gz OIZZDUWMKGVWNK-RYUDHWBXSA-N 0 3 291.351 2.243 20 5 CEBDHN C[C@H]1C[C@H]1N1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735314 380124848 /nfs/dbraw/zinc/12/48/48/380124848.db2.gz ORKVXUPHKQGXNC-SGMGOOAPSA-N 0 3 290.367 2.156 20 5 CEBDHN Cc1cc(N(C)[C@H]2CCN(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000268197353 190385160 /nfs/dbraw/zinc/38/51/60/190385160.db2.gz WWCLTXMRASIINV-RYUDHWBXSA-N 0 3 278.356 2.075 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)/C=C\CN(C)C)cc1[N+](=O)[O-] ZINC000492072360 380439845 /nfs/dbraw/zinc/43/98/45/380439845.db2.gz IITXXJSIZJBNSB-FOQNGQEVSA-N 0 3 291.351 2.198 20 5 CEBDHN C[C@H]1C[C@H](C)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000548424785 380514228 /nfs/dbraw/zinc/51/42/28/380514228.db2.gz TXKSWMLEJKVCPG-QWRGUYRKSA-N 0 3 250.298 2.456 20 5 CEBDHN CO[C@@]1(C)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000279228920 194342727 /nfs/dbraw/zinc/34/27/27/194342727.db2.gz DODOEDQTKGBZCS-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN Cc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000289262605 197278225 /nfs/dbraw/zinc/27/82/25/197278225.db2.gz FSXLXOAMSBEAPH-TZMCWYRMSA-N 0 3 264.325 2.248 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCC23CCOCC3)cc1 ZINC000365673339 285111854 /nfs/dbraw/zinc/11/18/54/285111854.db2.gz VYYVHBQOMVTSIJ-UHFFFAOYSA-N 0 3 262.309 2.350 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)N(C)C ZINC000288438370 197078197 /nfs/dbraw/zinc/07/81/97/197078197.db2.gz NBDMZGSUYFEJBP-VIFPVBQESA-N 0 3 265.313 2.159 20 5 CEBDHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000281441279 195241038 /nfs/dbraw/zinc/24/10/38/195241038.db2.gz PZGHIWJOHVKUCH-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN COC(=O)CCC(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000357752371 533344220 /nfs/dbraw/zinc/34/42/20/533344220.db2.gz KDAWAMTWVSLMST-UHFFFAOYSA-N 0 3 280.324 2.416 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CC2CCC2)c(F)c1 ZINC000355486994 394460775 /nfs/dbraw/zinc/46/07/75/394460775.db2.gz VILCPLCHYRVIGV-LBPRGKRZSA-N 0 3 282.315 2.375 20 5 CEBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000413158070 394495231 /nfs/dbraw/zinc/49/52/31/394495231.db2.gz VHDZZOUMOARSDI-QWRGUYRKSA-N 0 3 296.346 2.438 20 5 CEBDHN CC(C)CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000071952891 394591545 /nfs/dbraw/zinc/59/15/45/394591545.db2.gz ANNAPUFFMBAWPU-UHFFFAOYSA-N 0 3 291.395 2.411 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000051554579 394556480 /nfs/dbraw/zinc/55/64/80/394556480.db2.gz UOQIUQUOZOBNIP-OAHLLOKOSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H](O)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000356949487 394659473 /nfs/dbraw/zinc/65/94/73/394659473.db2.gz SEWZVZGVDFHKLP-QMDMKJMKSA-N 0 3 276.336 2.311 20 5 CEBDHN CC[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000421868879 394622337 /nfs/dbraw/zinc/62/23/37/394622337.db2.gz CUVVBGGTXVMAJH-TZMCWYRMSA-N 0 3 264.325 2.333 20 5 CEBDHN CCN1CCCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000267200700 394673777 /nfs/dbraw/zinc/67/37/77/394673777.db2.gz JJFPHSAFKFGMFQ-UHFFFAOYSA-N 0 3 279.340 2.135 20 5 CEBDHN CCN1CCCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268025644 394688522 /nfs/dbraw/zinc/68/85/22/394688522.db2.gz IYMDUZXMERPZAU-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000268963739 394704813 /nfs/dbraw/zinc/70/48/13/394704813.db2.gz WQOHHDSAEWTKRV-NSHDSACASA-N 0 3 272.308 2.278 20 5 CEBDHN CSCC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303303 394717271 /nfs/dbraw/zinc/71/72/71/394717271.db2.gz QMCCVIUGKUHZOS-ZYHUDNBSSA-N 0 3 284.381 2.359 20 5 CEBDHN CSCC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000358303301 394717397 /nfs/dbraw/zinc/71/73/97/394717397.db2.gz QMCCVIUGKUHZOS-JQWIXIFHSA-N 0 3 284.381 2.359 20 5 CEBDHN COCCNCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414886520 394789634 /nfs/dbraw/zinc/78/96/34/394789634.db2.gz PQLYWZFLNHHADE-UHFFFAOYSA-N 0 3 295.383 2.044 20 5 CEBDHN CC[C@H](NC[C@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278832408 394837008 /nfs/dbraw/zinc/83/70/08/394837008.db2.gz OYWKWGORFDWLEX-TUKIKUTGSA-N 0 3 294.351 2.175 20 5 CEBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000133503630 394953251 /nfs/dbraw/zinc/95/32/51/394953251.db2.gz DXSDZEWRXINXKV-VHSXEESVSA-N 0 3 262.313 2.027 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@]3(CCOC3)C2)cc1 ZINC000153717949 395015620 /nfs/dbraw/zinc/01/56/20/395015620.db2.gz MASFMJHNOBLINP-HNNXBMFYSA-N 0 3 292.335 2.086 20 5 CEBDHN Cc1cnc(N2CC[C@@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286325660 395019167 /nfs/dbraw/zinc/01/91/67/395019167.db2.gz HOAFFEAPOHTPAU-CHWSQXEVSA-N 0 3 290.367 2.361 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C)[C@@H]2C)n1 ZINC000343462193 395039093 /nfs/dbraw/zinc/03/90/93/395039093.db2.gz SYJLBVOLKSXKGB-MNOVXSKESA-N 0 3 264.329 2.193 20 5 CEBDHN CC(C)OC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292208459 395188797 /nfs/dbraw/zinc/18/87/97/395188797.db2.gz SYILTQINWPVPIB-GFCCVEGCSA-N 0 3 296.367 2.205 20 5 CEBDHN COc1cc(CN2C[C@H](C)C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000420931314 395437785 /nfs/dbraw/zinc/43/77/85/395437785.db2.gz DBTVGZNOUZEYTA-DGCLKSJQSA-N 0 3 294.351 2.054 20 5 CEBDHN CC1(C)CCCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000446063731 395479995 /nfs/dbraw/zinc/47/99/95/395479995.db2.gz ZQRLTPNKWPZQGL-UHFFFAOYSA-N 0 3 266.345 2.303 20 5 CEBDHN C[C@@H](O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000228105447 153360706 /nfs/dbraw/zinc/36/07/06/153360706.db2.gz XXNLGYGBWJJMKD-DTWKUNHWSA-N 0 3 272.732 2.497 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@@H](O)C1 ZINC000230670629 153399043 /nfs/dbraw/zinc/39/90/43/153399043.db2.gz LQEWPFVHRHCYAR-DGCLKSJQSA-N 0 3 264.325 2.236 20 5 CEBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@H]2CCCCC[C@H]21 ZINC000367123360 156138838 /nfs/dbraw/zinc/13/88/38/156138838.db2.gz QGIYYXVOBCLXOF-TZMCWYRMSA-N 0 3 291.351 2.021 20 5 CEBDHN C[C@H]1CCOCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000374996838 157033791 /nfs/dbraw/zinc/03/37/91/157033791.db2.gz IBZCFHSDEDVSAR-LBPRGKRZSA-N 0 3 264.325 2.248 20 5 CEBDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037782865 286829590 /nfs/dbraw/zinc/82/95/90/286829590.db2.gz YMMHDRFOCVMFRP-RYUDHWBXSA-N 0 3 291.351 2.256 20 5 CEBDHN CCS[C@H]1CCCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174858398 165118082 /nfs/dbraw/zinc/11/80/82/165118082.db2.gz MGSNZRVPGAGKPT-ZDUSSCGKSA-N 0 3 298.412 2.399 20 5 CEBDHN CCC[C@]1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000285471729 196294899 /nfs/dbraw/zinc/29/48/99/196294899.db2.gz HOENNODEJBGWLC-CABCVRRESA-N 0 3 294.351 2.177 20 5 CEBDHN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000285754026 196388119 /nfs/dbraw/zinc/38/81/19/196388119.db2.gz VTCKYQMVRPEAEF-RKDXNWHRSA-N 0 3 286.278 2.388 20 5 CEBDHN CCC[C@H](NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060722 174071779 /nfs/dbraw/zinc/07/17/79/174071779.db2.gz YBYAZTCATBCVLI-GJZGRUSLSA-N 0 3 294.351 2.441 20 5 CEBDHN Cc1c(NC(=O)N[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000604229552 414821775 /nfs/dbraw/zinc/82/17/75/414821775.db2.gz SQZATSQYBYMNGF-NSHDSACASA-N 0 3 292.339 2.119 20 5 CEBDHN Cc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044686295 175232117 /nfs/dbraw/zinc/23/21/17/175232117.db2.gz KDPSWYZFTSDVSG-ZDUSSCGKSA-N 0 3 275.352 2.230 20 5 CEBDHN C[C@H](NC[C@@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000071277822 176107812 /nfs/dbraw/zinc/10/78/12/176107812.db2.gz VQIPJCUNTGVWRX-TVQRCGJNSA-N 0 3 250.298 2.016 20 5 CEBDHN CC[C@@H](CCO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000077453817 177270265 /nfs/dbraw/zinc/27/02/65/177270265.db2.gz ICPKUCIKEVLMBA-LBPRGKRZSA-N 0 3 252.314 2.154 20 5 CEBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000078614298 177360394 /nfs/dbraw/zinc/36/03/94/177360394.db2.gz XPYUIPCONRCHLL-JTQLQIEISA-N 0 3 299.396 2.362 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@]3(CCSC3)C2)n1 ZINC000451983063 263018509 /nfs/dbraw/zinc/01/85/09/263018509.db2.gz UNHJKKZCLMYFAY-CYBMUJFWSA-N 0 3 296.396 2.010 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430224644 271365799 /nfs/dbraw/zinc/36/57/99/271365799.db2.gz WDCXHQBHUZTELN-ZDUSSCGKSA-N 0 3 280.324 2.118 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@]1(C)CO ZINC000430241662 271366486 /nfs/dbraw/zinc/36/64/86/271366486.db2.gz GWGXWFWNMRRALQ-LSDHHAIUSA-N 0 3 294.351 2.244 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@@]1(C)CO ZINC000430241659 271366532 /nfs/dbraw/zinc/36/65/32/271366532.db2.gz GWGXWFWNMRRALQ-CABCVRRESA-N 0 3 294.351 2.244 20 5 CEBDHN CC1(C)C[C@H](NCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279094614 273589056 /nfs/dbraw/zinc/58/90/56/273589056.db2.gz NSFZGGHKQRSKGH-ZDUSSCGKSA-N 0 3 264.325 2.289 20 5 CEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540765 274335528 /nfs/dbraw/zinc/33/55/28/274335528.db2.gz CCWJPZUYQSDRHE-BXKDBHETSA-N 0 3 298.774 2.420 20 5 CEBDHN O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CCN(C2CC2)C1 ZINC000352368869 275034427 /nfs/dbraw/zinc/03/44/27/275034427.db2.gz WIHPETYIKBTPDI-LBPRGKRZSA-N 0 3 298.346 2.214 20 5 CEBDHN COc1ccccc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000271736292 277470848 /nfs/dbraw/zinc/47/08/48/277470848.db2.gz VFOXGHDZVFTODA-LLVKDONJSA-N 0 3 290.323 2.151 20 5 CEBDHN COC[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000278719694 277564675 /nfs/dbraw/zinc/56/46/75/277564675.db2.gz MCIMRLUEBFQNFB-HIFRSBDPSA-N 0 3 294.351 2.223 20 5 CEBDHN CS[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000275417584 278167986 /nfs/dbraw/zinc/16/79/86/278167986.db2.gz HEEVZSWMEAEYHM-STQMWFEESA-N 0 3 295.408 2.385 20 5 CEBDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000136321070 280060478 /nfs/dbraw/zinc/06/04/78/280060478.db2.gz ZLDUMZZZAXAEEV-VXGBXAGGSA-N 0 3 264.325 2.188 20 5 CEBDHN COCCCN(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000156911750 289204927 /nfs/dbraw/zinc/20/49/27/289204927.db2.gz CQUYULGHOJHBDX-UHFFFAOYSA-N 0 3 281.356 2.283 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CCN([C@H]1CCCC[C@H]1O)C2 ZINC000305656989 289272591 /nfs/dbraw/zinc/27/25/91/289272591.db2.gz PUXJAYLLJSKIIY-LSDHHAIUSA-N 0 3 276.336 2.256 20 5 CEBDHN C[C@H]1CCCC[C@]1(C)NCc1c([N+](=O)[O-])ncn1C ZINC000459609999 290194050 /nfs/dbraw/zinc/19/40/50/290194050.db2.gz KDNLOUQMCIICHM-GWCFXTLKSA-N 0 3 266.345 2.387 20 5 CEBDHN Cc1cc(N2CCN(C)[C@H](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000487069912 290330038 /nfs/dbraw/zinc/33/00/38/290330038.db2.gz SZJGFRPTFBQWAK-ZDUSSCGKSA-N 0 3 278.356 2.075 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)CCN1CCCC1 ZINC000118888209 295255110 /nfs/dbraw/zinc/25/51/10/295255110.db2.gz JBNGLYNFNKJGNO-UHFFFAOYSA-N 0 3 293.367 2.131 20 5 CEBDHN C[C@]1(CO)CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000530464097 298073351 /nfs/dbraw/zinc/07/33/51/298073351.db2.gz WUAZDKOVJOOXSW-NFBGWVBBSA-N 0 3 276.336 2.455 20 5 CEBDHN C[C@@]1(CO)CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000530464098 298073604 /nfs/dbraw/zinc/07/36/04/298073604.db2.gz WUAZDKOVJOOXSW-QZDDGCDVSA-N 0 3 276.336 2.455 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccco2)cc1 ZINC000538420069 298228003 /nfs/dbraw/zinc/22/80/03/298228003.db2.gz GOANCTPUGCKYBZ-CYBMUJFWSA-N 0 3 290.319 2.129 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N(C)C ZINC000540166790 298263488 /nfs/dbraw/zinc/26/34/88/298263488.db2.gz DUOSKEUBUCUWEQ-LLVKDONJSA-N 0 3 279.340 2.032 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCN(C)C2)n1 ZINC000545692586 298338822 /nfs/dbraw/zinc/33/88/22/298338822.db2.gz PZCSZGMSTOUEET-JTQLQIEISA-N 0 3 288.307 2.372 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1CN1CCCCC1 ZINC000160442481 304810750 /nfs/dbraw/zinc/81/07/50/304810750.db2.gz USUGHWKZIANSSK-CYBMUJFWSA-N 0 3 290.367 2.445 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCOCC1 ZINC000530627424 313301173 /nfs/dbraw/zinc/30/11/73/313301173.db2.gz ACEQPDVYMMGAGI-UHFFFAOYSA-N 0 3 280.324 2.214 20 5 CEBDHN CCc1nncn1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000547386645 313523534 /nfs/dbraw/zinc/52/35/34/313523534.db2.gz FTTQZILVFZZACL-LLVKDONJSA-N 0 3 289.339 2.100 20 5 CEBDHN CC[C@H]1CN(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000574149568 314190169 /nfs/dbraw/zinc/19/01/69/314190169.db2.gz JFYZTJKGOLKTRG-JTQLQIEISA-N 0 3 289.339 2.002 20 5 CEBDHN CCC[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000226249530 535546723 /nfs/dbraw/zinc/54/67/23/535546723.db2.gz UAQTWWPOFMHRPO-CYBMUJFWSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H](C)C1 ZINC000412046720 534095176 /nfs/dbraw/zinc/09/51/76/534095176.db2.gz RJYBNWXBKKBBFR-COPLHBTASA-N 0 3 264.325 2.359 20 5 CEBDHN CC(C)COC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151454012 519757195 /nfs/dbraw/zinc/75/71/95/519757195.db2.gz JFNNJBZMIKEGOW-DOMZBBRYSA-N 0 3 296.367 2.279 20 5 CEBDHN CC[C@H](N[C@H]1CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000049084440 522753327 /nfs/dbraw/zinc/75/33/27/522753327.db2.gz RKZYEABKJKGOBR-JSGCOSHPSA-N 0 3 263.341 2.340 20 5 CEBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)C1CC1 ZINC000068913548 524507940 /nfs/dbraw/zinc/50/79/40/524507940.db2.gz LFGNUIHIRJHZMP-SECBINFHSA-N 0 3 294.311 2.398 20 5 CEBDHN CSC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000183482460 525717963 /nfs/dbraw/zinc/71/79/63/525717963.db2.gz CEAMGMNIOIADMO-CYBMUJFWSA-N 0 3 284.381 2.107 20 5 CEBDHN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000412080604 528946335 /nfs/dbraw/zinc/94/63/35/528946335.db2.gz NTOCZZTVDZZVDH-ZDUSSCGKSA-N 0 3 291.351 2.084 20 5 CEBDHN CC1(C)COC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000313087717 535362325 /nfs/dbraw/zinc/36/23/25/535362325.db2.gz QZVRGBBYLDLMMN-LBPRGKRZSA-N 0 3 250.298 2.109 20 5 CEBDHN Cc1ccc(OCCCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103835 623021146 /nfs/dbraw/zinc/02/11/46/623021146.db2.gz GSMLSVOVIIWFRY-GFCCVEGCSA-N 0 3 281.308 2.362 20 5 CEBDHN COc1cccc([C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104503 623022162 /nfs/dbraw/zinc/02/21/62/623022162.db2.gz DHJWKEOJIJTFMC-UWVGGRQHSA-N 0 3 267.281 2.007 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCC[C@H]1C ZINC000795102004 629441624 /nfs/dbraw/zinc/44/16/24/629441624.db2.gz OIVIUDMZBCZFGO-SNVBAGLBSA-N 0 3 281.360 2.016 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCN1C(C)(C)C ZINC000894475320 629483196 /nfs/dbraw/zinc/48/31/96/629483196.db2.gz CAPADUQTWWOMJS-SNVBAGLBSA-N 0 3 294.355 2.283 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928427500 629502953 /nfs/dbraw/zinc/50/29/53/629502953.db2.gz MZVWGZJRCWHHEP-NWDGAFQWSA-N 0 3 291.351 2.034 20 5 CEBDHN CC(C)O[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000797282025 630201658 /nfs/dbraw/zinc/20/16/58/630201658.db2.gz RVZWWMGSFPHOOQ-WCQYABFASA-N 0 3 281.308 2.361 20 5 CEBDHN COc1cc(N[C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000895739062 630319755 /nfs/dbraw/zinc/31/97/55/630319755.db2.gz ATSUXOREZZOFQR-SCZZXKLOSA-N 0 3 283.303 2.247 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCC(C)(C)C1 ZINC000897248186 631015175 /nfs/dbraw/zinc/01/51/75/631015175.db2.gz LSNUOGZQINGZQY-UHFFFAOYSA-N 0 3 294.355 2.142 20 5 CEBDHN O=[N+]([O-])c1ccc(CN(CCCCO)C2CC2)cc1F ZINC000801518101 631281816 /nfs/dbraw/zinc/28/18/16/631281816.db2.gz VKILELKDRFEFQT-UHFFFAOYSA-N 0 3 282.315 2.471 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)CN1C ZINC000801526772 631283541 /nfs/dbraw/zinc/28/35/41/631283541.db2.gz XBVIKJGPUVXMBU-MNOVXSKESA-N 0 3 281.331 2.258 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC12CC(O)C2 ZINC000897840598 631939467 /nfs/dbraw/zinc/93/94/67/631939467.db2.gz FPYCVXPNEYLJBS-XGTXGMFGSA-N 0 3 276.336 2.215 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C2CC2)c(Cl)c1 ZINC000898203240 632084511 /nfs/dbraw/zinc/08/45/11/632084511.db2.gz GYPCKAGGFGUMJA-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@@H](NCCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000927084908 632451689 /nfs/dbraw/zinc/45/16/89/632451689.db2.gz OGKKJMNGHXUXNY-RISCZKNCSA-N 0 3 280.324 2.051 20 5 CEBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC(C)C)c1 ZINC000813102859 632621780 /nfs/dbraw/zinc/62/17/80/632621780.db2.gz KLDGKEYOYUDKEA-SNVBAGLBSA-N 0 3 297.307 2.304 20 5 CEBDHN COc1cc(Cl)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105028 632622331 /nfs/dbraw/zinc/62/23/31/632622331.db2.gz UEYJAABBIFSARO-ZETCQYMHSA-N 0 3 273.672 2.171 20 5 CEBDHN CC(COC(=O)c1cccc(OC(F)(F)F)c1)[N+](=O)[O-] ZINC000813104643 632622545 /nfs/dbraw/zinc/62/25/45/632622545.db2.gz PLZYBTCDARUTCF-SSDOTTSWSA-N 0 3 293.197 2.407 20 5 CEBDHN CC(C)[C@@H]1C[C@H](CC(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813108759 632625806 /nfs/dbraw/zinc/62/58/06/632625806.db2.gz LKHOUKGHFSMPSJ-UTUOFQBUSA-N 0 3 273.329 2.036 20 5 CEBDHN CC(COC(=O)[C@@]1(C)CCCc2ccccc21)[N+](=O)[O-] ZINC000813108122 632625879 /nfs/dbraw/zinc/62/58/79/632625879.db2.gz AOTWIBHXAKVWJS-NHYWBVRUSA-N 0 3 277.320 2.489 20 5 CEBDHN CC(COC(=O)c1cncc2ccccc21)[N+](=O)[O-] ZINC000813110810 632626213 /nfs/dbraw/zinc/62/62/13/632626213.db2.gz JVONBOWLTAVKJS-VIFPVBQESA-N 0 3 260.249 2.057 20 5 CEBDHN CC[C@H](C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109587 632626601 /nfs/dbraw/zinc/62/66/01/632626601.db2.gz MSLFEAUWAHIDPV-UWVGGRQHSA-N 0 3 282.296 2.081 20 5 CEBDHN CC(COC(=O)CCc1cncc2ccccc21)[N+](=O)[O-] ZINC000813110636 632626802 /nfs/dbraw/zinc/62/68/02/632626802.db2.gz GDMGLVGKQIDVKB-NSHDSACASA-N 0 3 288.303 2.376 20 5 CEBDHN CC(COC(=O)c1coc2cc(F)ccc21)[N+](=O)[O-] ZINC000813111697 632627440 /nfs/dbraw/zinc/62/74/40/632627440.db2.gz WDWCSWLZKFKIAM-SSDOTTSWSA-N 0 3 267.212 2.394 20 5 CEBDHN CC(COC(=O)c1ccc2ccccc2n1)[N+](=O)[O-] ZINC000813114441 632628044 /nfs/dbraw/zinc/62/80/44/632628044.db2.gz BCRIUAKNJUCCNN-SECBINFHSA-N 0 3 260.249 2.057 20 5 CEBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112854 632628229 /nfs/dbraw/zinc/62/82/29/632628229.db2.gz UWXRGBCDSOFDHO-ZYHUDNBSSA-N 0 3 251.282 2.389 20 5 CEBDHN CC(COC(=O)C(C1CCC1)C1CCC1)[N+](=O)[O-] ZINC000813114300 632628659 /nfs/dbraw/zinc/62/86/59/632628659.db2.gz PDJBZIQVYDJZCA-SECBINFHSA-N 0 3 255.314 2.411 20 5 CEBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817132024 633590600 /nfs/dbraw/zinc/59/06/00/633590600.db2.gz YCRRQYTUKCRIMW-NSHDSACASA-N 0 3 294.311 2.033 20 5 CEBDHN COc1cc([C@@H](C)NC[C@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157324 634992394 /nfs/dbraw/zinc/99/23/94/634992394.db2.gz DDAXMGQOJIFOKR-VHSXEESVSA-N 0 3 268.313 2.289 20 5 CEBDHN O=[N+]([O-])CCNC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000905029530 635793441 /nfs/dbraw/zinc/79/34/41/635793441.db2.gz XNKLVUJQFWRZPC-CQSZACIVSA-N 0 3 297.786 2.343 20 5 CEBDHN CC[C@@H](CSc1ccccc1)NCC[N+](=O)[O-] ZINC000905178771 635850814 /nfs/dbraw/zinc/85/08/14/635850814.db2.gz DIHGZEQUSOOAKF-NSHDSACASA-N 0 3 254.355 2.424 20 5 CEBDHN O=[N+]([O-])CCNCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905365404 636246478 /nfs/dbraw/zinc/24/64/78/636246478.db2.gz PJPRXPVEZAVTGK-LLVKDONJSA-N 0 3 293.150 2.283 20 5 CEBDHN CCSc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835455840 638263355 /nfs/dbraw/zinc/26/33/55/638263355.db2.gz PUPOGUBZRWYUAB-MRVPVSSYSA-N 0 3 270.310 2.016 20 5 CEBDHN CC(C)C[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000227442448 639590400 /nfs/dbraw/zinc/59/04/00/639590400.db2.gz KNIOMPFKGXVRFT-LBPRGKRZSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@@H](O)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000228082597 639614284 /nfs/dbraw/zinc/61/42/84/639614284.db2.gz VOYNEQAAHSPRAK-RKDXNWHRSA-N 0 3 272.732 2.497 20 5 CEBDHN Cc1c(CN2CC([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000877488329 650746269 /nfs/dbraw/zinc/74/62/69/650746269.db2.gz FBDRQVXIORUZDD-ZDUSSCGKSA-N 0 3 276.336 2.372 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCn2ccnn2)c1 ZINC000126569762 650775507 /nfs/dbraw/zinc/77/55/07/650775507.db2.gz YNLBFBZMDSMJSZ-UHFFFAOYSA-N 0 3 295.730 2.020 20 5 CEBDHN COC(=O)C1=CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000877651890 650834859 /nfs/dbraw/zinc/83/48/59/650834859.db2.gz NBCQGNAENJRLJL-ZDUSSCGKSA-N 0 3 290.319 2.255 20 5 CEBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000853825334 643911490 /nfs/dbraw/zinc/91/14/90/643911490.db2.gz KENMPCJZZKPMSR-UHFFFAOYSA-N 0 3 269.732 2.246 20 5 CEBDHN CO[C@H]1C[C@@H](CN(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000877917579 650947270 /nfs/dbraw/zinc/94/72/70/650947270.db2.gz YIPXOROAOFUWJR-BJHJDKERSA-N 0 3 264.325 2.452 20 5 CEBDHN CC[S@](=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000765943856 645824389 /nfs/dbraw/zinc/82/43/89/645824389.db2.gz NEXOKFXITKSDDD-WLRWDXFRSA-N 0 3 284.381 2.322 20 5 CEBDHN CC(COC(=O)c1nccc2ccsc21)[N+](=O)[O-] ZINC000860777119 645902479 /nfs/dbraw/zinc/90/24/79/645902479.db2.gz KMCPZOKHPFWQNO-ZETCQYMHSA-N 0 3 266.278 2.118 20 5 CEBDHN C[C@@H]1OCC[C@@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878302930 651060177 /nfs/dbraw/zinc/06/01/77/651060177.db2.gz BDCACFHUYVPRAT-NWDGAFQWSA-N 0 3 276.336 2.378 20 5 CEBDHN C[C@H](NC[C@H](O)c1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788508470 648196540 /nfs/dbraw/zinc/19/65/40/648196540.db2.gz UZENLDJAMBYSAH-ZANVPECISA-N 0 3 291.307 2.154 20 5 CEBDHN O=[N+]([O-])c1cnn(CN(CC2CC2)CC2CCC2)c1 ZINC000794709049 648905411 /nfs/dbraw/zinc/90/54/11/648905411.db2.gz DSEBNLKWZYESPA-UHFFFAOYSA-N 0 3 264.329 2.261 20 5 CEBDHN C[C@@H](N[C@@H]1CCO[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000872129540 649287437 /nfs/dbraw/zinc/28/74/37/649287437.db2.gz KYRCECLEBXAOLL-JFGNBEQYSA-N 0 3 250.298 2.423 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](CF)C2)cc1 ZINC000880237235 651406285 /nfs/dbraw/zinc/40/62/85/651406285.db2.gz UACPEASFLOVVFJ-RISCZKNCSA-N 0 3 282.315 2.310 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCOC2CCC2)c1 ZINC000690699831 802659360 /nfs/dbraw/zinc/65/93/60/802659360.db2.gz BQBNFFIUAVPOOI-UHFFFAOYSA-N 0 3 250.298 2.254 20 5 CEBDHN CO[C@@]1(C)C[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000694322892 803530620 /nfs/dbraw/zinc/53/06/20/803530620.db2.gz NZVXHPXKRWBDTL-OLZOCXBDSA-N 0 3 250.298 2.170 20 5 CEBDHN Cc1c(-c2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)cccc1[N+](=O)[O-] ZINC001118900088 815053782 /nfs/dbraw/zinc/05/37/82/815053782.db2.gz IUPIQJWPTJBWNV-PTOFAABTSA-N 0 3 286.291 2.234 20 5 CEBDHN Cc1ccc(CNC[C@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698568445 807247297 /nfs/dbraw/zinc/24/72/97/807247297.db2.gz GLQFBQVLVZLTFG-LBPRGKRZSA-N 0 3 274.267 2.009 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@@H](O)C(F)F ZINC000716730926 815144094 /nfs/dbraw/zinc/14/40/94/815144094.db2.gz NMPFTXTUMIWRIE-SNVBAGLBSA-N 0 3 294.685 2.354 20 5 CEBDHN Cc1cc(C(=O)NC[C@H]2CCCCN2C)cc([N+](=O)[O-])c1 ZINC001120726146 815263536 /nfs/dbraw/zinc/26/35/36/815263536.db2.gz BPGLAUHQGPGHPU-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1C[C@@H](CO)C1 ZINC000707492581 809914161 /nfs/dbraw/zinc/91/41/61/809914161.db2.gz KOTDVSIIFTWJBR-DKTWLAJQSA-N 0 3 270.716 2.109 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000711223052 810050549 /nfs/dbraw/zinc/05/05/49/810050549.db2.gz DLNIHTOUMZJSHY-LBPRGKRZSA-N 0 3 262.309 2.396 20 5 CEBDHN CN(CC[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001119817028 810547844 /nfs/dbraw/zinc/54/78/44/810547844.db2.gz MLFALJAVSLFMDK-KBPBESRZSA-N 0 3 282.315 2.254 20 5 CEBDHN Cc1ccc(C(=O)CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168982915 811309299 /nfs/dbraw/zinc/30/92/99/811309299.db2.gz JFHHWXGKXSEKCV-GXTWGEPZSA-N 0 3 276.336 2.213 20 5 CEBDHN O=C1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2CCCC[C@@H]12 ZINC001169007586 811332680 /nfs/dbraw/zinc/33/26/80/811332680.db2.gz OIBNIIQAQUOFNJ-DGAVXFQQSA-N 0 3 280.368 2.265 20 5 CEBDHN C[C@H](N)c1ccn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)n1 ZINC001169230998 811443664 /nfs/dbraw/zinc/44/36/64/811443664.db2.gz CNJHJQMYPPBFRK-QMMMGPOBSA-N 0 3 271.280 2.282 20 5 CEBDHN CN1CC(CNc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001170253729 812374188 /nfs/dbraw/zinc/37/41/88/812374188.db2.gz QIRMJLQHYMJVJA-UHFFFAOYSA-N 0 3 290.298 2.256 20 5 CEBDHN C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])c3ccccc32)n1 ZINC001158348890 812667366 /nfs/dbraw/zinc/66/73/66/812667366.db2.gz MVBNPAIZUUWQDH-SECBINFHSA-N 0 3 283.291 2.348 20 5 CEBDHN C[C@H](CCO)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000132971503 813069085 /nfs/dbraw/zinc/06/90/85/813069085.db2.gz QVNCHWRCHDOJHF-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN CN1CC[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000712544733 814764423 /nfs/dbraw/zinc/76/44/23/814764423.db2.gz ZABDRJRSNAUBKR-NSHDSACASA-N 0 3 269.732 2.042 20 5 CEBDHN CCN1CC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000712571766 814767541 /nfs/dbraw/zinc/76/75/41/814767541.db2.gz YCWDKMFJAQHMCN-GFCCVEGCSA-N 0 3 283.759 2.432 20 5 CEBDHN C[C@H](NCCOC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000714981496 814920274 /nfs/dbraw/zinc/92/02/74/814920274.db2.gz CEILUKMWVZWUKM-JTQLQIEISA-N 0 3 250.298 2.424 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccncn1 ZINC001173235957 815634599 /nfs/dbraw/zinc/63/45/99/815634599.db2.gz CZIKURMUADBOBP-GFCCVEGCSA-N 0 3 286.335 2.448 20 5 CEBDHN C[C@@H](N[C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601289942 346813873 /nfs/dbraw/zinc/81/38/73/346813873.db2.gz WYXITYXQGBKMJS-FOGDFJRCSA-N 0 3 250.298 2.016 20 5 CEBDHN CC[C@H](N[C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977015 361877022 /nfs/dbraw/zinc/87/70/22/361877022.db2.gz OZNVGSLOEDOTOY-UONOGXRCSA-N 0 3 291.351 2.304 20 5 CEBDHN CCCC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766564 361933073 /nfs/dbraw/zinc/93/30/73/361933073.db2.gz IBZFGDZHDUGURI-MFKMUULPSA-N 0 3 279.340 2.290 20 5 CEBDHN CC[C@H](C)NC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000037997234 361976927 /nfs/dbraw/zinc/97/69/27/361976927.db2.gz OWOXIMMYAZTXAK-LBPRGKRZSA-N 0 3 293.367 2.298 20 5 CEBDHN COc1cc(CN[C@@H]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000492847726 290663484 /nfs/dbraw/zinc/66/34/84/290663484.db2.gz OZMYRMZEHMHGHY-HUUCEWRRSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@H](NCCn1ccnc1)c1ccccc1[N+](=O)[O-] ZINC000041118895 362019840 /nfs/dbraw/zinc/01/98/40/362019840.db2.gz PKYTZQKBHBKSTR-NSHDSACASA-N 0 3 260.297 2.142 20 5 CEBDHN Cc1c(NC(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000043348059 343463182 /nfs/dbraw/zinc/46/31/82/343463182.db2.gz NWXQYMGZPSBHKB-UHFFFAOYSA-N 0 3 292.339 2.119 20 5 CEBDHN C[C@@H]1CSC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000336724200 365786616 /nfs/dbraw/zinc/78/66/16/365786616.db2.gz BECMFPOTUFETRT-APPZFPTMSA-N 0 3 258.368 2.497 20 5 CEBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000057159885 343625965 /nfs/dbraw/zinc/62/59/65/343625965.db2.gz BNCNOERAUQWSPZ-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ccncc1[N+](=O)[O-] ZINC000066808976 343722336 /nfs/dbraw/zinc/72/23/36/343722336.db2.gz MMKXVPLSVVUSGH-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN C[C@H]1CCCCN1CCNc1ccc([N+](=O)[O-])nc1 ZINC000076776116 343898054 /nfs/dbraw/zinc/89/80/54/343898054.db2.gz GQLJBWGFKXLGIM-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN COC(=O)[C@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000048336223 362257235 /nfs/dbraw/zinc/25/72/35/362257235.db2.gz GFELWXGKPODYGH-SNVBAGLBSA-N 0 3 280.324 2.144 20 5 CEBDHN Cc1cnc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000078626834 343959363 /nfs/dbraw/zinc/95/93/63/343959363.db2.gz JZEZRJLEEPUWHQ-UHFFFAOYSA-N 0 3 299.334 2.020 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@H](C)O ZINC000119046021 344293101 /nfs/dbraw/zinc/29/31/01/344293101.db2.gz AHGWRFVDTFIZNG-GHMZBOCLSA-N 0 3 252.314 2.325 20 5 CEBDHN C[C@@H](NCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000126380517 344323602 /nfs/dbraw/zinc/32/36/02/344323602.db2.gz RGVHAGBVOOJQQL-SNVBAGLBSA-N 0 3 252.314 2.264 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCC(C)CC2)n1 ZINC000162722503 344468688 /nfs/dbraw/zinc/46/86/88/344468688.db2.gz YYZJTJLCAVLFMQ-UHFFFAOYSA-N 0 3 278.356 2.442 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](CCO)C2)c1 ZINC000051896546 362447459 /nfs/dbraw/zinc/44/74/59/362447459.db2.gz LUCYJOYPUOSAGO-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CCCO1 ZINC000237947610 344604650 /nfs/dbraw/zinc/60/46/50/344604650.db2.gz RHZUFVKRCZNSSM-YIALFULDSA-N 0 3 262.309 2.377 20 5 CEBDHN C[C@@H](O)[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159706 344709606 /nfs/dbraw/zinc/70/96/06/344709606.db2.gz DUVDABPIFSPMDJ-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602549575 347072355 /nfs/dbraw/zinc/07/23/55/347072355.db2.gz FDHUBRARBNNQKP-AWEZNQCLSA-N 0 3 291.307 2.252 20 5 CEBDHN CC[C@H](NC/C(C)=C/c1cccc([N+](=O)[O-])c1)C(=O)NC ZINC000449776080 282363327 /nfs/dbraw/zinc/36/33/27/282363327.db2.gz OCNNNPYLQGXYMN-ZHZWZMEUSA-N 0 3 291.351 2.112 20 5 CEBDHN Cc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402270397 344872277 /nfs/dbraw/zinc/87/22/77/344872277.db2.gz DLQZGIACANENLU-PWSUYJOCSA-N 0 3 250.298 2.170 20 5 CEBDHN Cc1cncc(CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000402807880 344873780 /nfs/dbraw/zinc/87/37/80/344873780.db2.gz CNFKTMKQYAFLHH-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CCCO)C2)cc1 ZINC000449793514 282370565 /nfs/dbraw/zinc/37/05/65/282370565.db2.gz XDNBDZMBHNWBCQ-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000586773526 345020624 /nfs/dbraw/zinc/02/06/24/345020624.db2.gz QDCIZLYHCDUIQE-ZDUSSCGKSA-N 0 3 264.325 2.248 20 5 CEBDHN COCCCN(CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000054364665 362532653 /nfs/dbraw/zinc/53/26/53/362532653.db2.gz PAQKVUJXXJORTP-UHFFFAOYSA-N 0 3 282.340 2.080 20 5 CEBDHN O=[N+]([O-])c1c2cccnc2ccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000591435506 345253198 /nfs/dbraw/zinc/25/31/98/345253198.db2.gz CCCUIJZIBLMOLK-TXEJJXNPSA-N 0 3 298.346 2.474 20 5 CEBDHN Cc1cccc(N2C[C@H]3CCC[C@@H](C2)N3)c1[N+](=O)[O-] ZINC000591435857 345253750 /nfs/dbraw/zinc/25/37/50/345253750.db2.gz XSTYXYXANLTFKI-TXEJJXNPSA-N 0 3 261.325 2.234 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972297 345208405 /nfs/dbraw/zinc/20/84/05/345208405.db2.gz FNYNYNBNPJJWFH-DOMZBBRYSA-N 0 3 292.335 2.084 20 5 CEBDHN Cc1ccc(NC(=O)[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000591673100 345273402 /nfs/dbraw/zinc/27/34/02/345273402.db2.gz MXRXRMKGPKNTQE-SNVBAGLBSA-N 0 3 299.277 2.087 20 5 CEBDHN CN1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000591830121 345286464 /nfs/dbraw/zinc/28/64/64/345286464.db2.gz LMXUDAYTUXHWBJ-VHSXEESVSA-N 0 3 267.354 2.187 20 5 CEBDHN CC[C@H](C)C[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374393 345347109 /nfs/dbraw/zinc/34/71/09/345347109.db2.gz DTJSUWNEFWYGCG-AAEUAGOBSA-N 0 3 296.367 2.490 20 5 CEBDHN CC[C@@H](C)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000592374824 345347495 /nfs/dbraw/zinc/34/74/95/345347495.db2.gz LLTWUEHIXUAGPG-YPMHNXCESA-N 0 3 266.341 2.482 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000593070930 345433168 /nfs/dbraw/zinc/43/31/68/345433168.db2.gz YHWZPFSWQNHTBY-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CF)CC2)c1 ZINC000295112973 199351412 /nfs/dbraw/zinc/35/14/12/199351412.db2.gz ITDUDVMHTPFUTP-CQSZACIVSA-N 0 3 282.315 2.310 20 5 CEBDHN Cc1ccnc(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593515342 345501522 /nfs/dbraw/zinc/50/15/22/345501522.db2.gz GGPAPPPGSNZDMW-UHFFFAOYSA-N 0 3 278.356 2.220 20 5 CEBDHN Cc1c([C@@H](C)NCC[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725268 345527761 /nfs/dbraw/zinc/52/77/61/345527761.db2.gz WXRSHENIRGHLQH-IUODEOHRSA-N 0 3 294.351 2.095 20 5 CEBDHN Cc1c([C@H](C)NCC[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000593725269 345527945 /nfs/dbraw/zinc/52/79/45/345527945.db2.gz WXRSHENIRGHLQH-SWLSCSKDSA-N 0 3 294.351 2.095 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CCCn3ccnc32)cc1 ZINC000594495720 345638197 /nfs/dbraw/zinc/63/81/97/345638197.db2.gz URQFIQARTQUOMJ-AWEZNQCLSA-N 0 3 286.335 2.459 20 5 CEBDHN CN1CCC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594505493 345639702 /nfs/dbraw/zinc/63/97/02/345639702.db2.gz WTSLQSLLNMVYDH-RISCZKNCSA-N 0 3 275.352 2.266 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCc1cnccn1 ZINC000594503125 345639781 /nfs/dbraw/zinc/63/97/81/345639781.db2.gz TVYSPUMTZMQORI-AWEZNQCLSA-N 0 3 284.319 2.204 20 5 CEBDHN CC[C@@H](NC[C@](C)(CO)OC)c1cccc([N+](=O)[O-])c1 ZINC000594507505 345640142 /nfs/dbraw/zinc/64/01/42/345640142.db2.gz FNUHZHFHSXJKEI-ZIAGYGMSSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)O ZINC000594510193 345640952 /nfs/dbraw/zinc/64/09/52/345640952.db2.gz ARTSBJBSLKTUIV-SKDRFNHKSA-N 0 3 264.325 2.331 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCCOCC3)nc2c1 ZINC000602580519 347086942 /nfs/dbraw/zinc/08/69/42/347086942.db2.gz FCZDEVSMSVHQTE-SNVBAGLBSA-N 0 3 291.307 2.395 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C[C@@H](O)C12CCC2 ZINC000595089866 345740660 /nfs/dbraw/zinc/74/06/60/345740660.db2.gz PVBNKSQUAOPDFR-NWANDNLSSA-N 0 3 288.347 2.475 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@H](O)C1)CCCC2 ZINC000595105777 345742739 /nfs/dbraw/zinc/74/27/39/345742739.db2.gz YOFBSAPUGOSLPJ-UXIGCNINSA-N 0 3 276.336 2.475 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCO1 ZINC000595005296 345724856 /nfs/dbraw/zinc/72/48/56/345724856.db2.gz BMVRKZZRVFGXGA-JQWIXIFHSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(C)C1 ZINC000595017709 345728060 /nfs/dbraw/zinc/72/80/60/345728060.db2.gz NDJVENSLNUIFOF-RYUDHWBXSA-N 0 3 293.367 2.348 20 5 CEBDHN C[C@@H]1COCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595457896 345788422 /nfs/dbraw/zinc/78/84/22/345788422.db2.gz CWSPIQVBBWZOOM-BXKDBHETSA-N 0 3 268.288 2.249 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595751429 345866698 /nfs/dbraw/zinc/86/66/98/345866698.db2.gz QJHRVAJYDDZREZ-HNNXBMFYSA-N 0 3 276.336 2.332 20 5 CEBDHN CCC(CC)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596070524 345932189 /nfs/dbraw/zinc/93/21/89/345932189.db2.gz QOCZCOZIBFSFES-GFCCVEGCSA-N 0 3 296.371 2.474 20 5 CEBDHN O=c1[n-]ccc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000596075637 345934113 /nfs/dbraw/zinc/93/41/13/345934113.db2.gz LVFJTYRLKNPOSB-UHFFFAOYSA-N 0 3 294.355 2.420 20 5 CEBDHN O=c1[n-]ccc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596244034 345979038 /nfs/dbraw/zinc/97/90/38/345979038.db2.gz NVGJXVSCBSRMOO-UHFFFAOYSA-N 0 3 294.355 2.373 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCN1C(C)(C)C ZINC000596309798 345996187 /nfs/dbraw/zinc/99/61/87/345996187.db2.gz WQAWDSZZQHYNNP-NSHDSACASA-N 0 3 295.387 2.404 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(C(C)(C)C)C1 ZINC000596336133 346002637 /nfs/dbraw/zinc/00/26/37/346002637.db2.gz MVBOBUUGZOKIQX-NSHDSACASA-N 0 3 295.387 2.404 20 5 CEBDHN CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CCN(C)C1 ZINC000597946635 346255915 /nfs/dbraw/zinc/25/59/15/346255915.db2.gz QYJKGSSTYSRYBY-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000295144527 199370372 /nfs/dbraw/zinc/37/03/72/199370372.db2.gz QIFGSDDNKOOJPY-GFCCVEGCSA-N 0 3 252.314 2.106 20 5 CEBDHN Cc1ccc(CN2CC[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000598676750 346398844 /nfs/dbraw/zinc/39/88/44/346398844.db2.gz KEFWSCZSXZKNTM-FZMZJTMJSA-N 0 3 278.352 2.354 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C[C@@H](O)C1 ZINC000599082869 346457211 /nfs/dbraw/zinc/45/72/11/346457211.db2.gz VGSWACKJDLVLII-JBLDHEPKSA-N 0 3 280.324 2.025 20 5 CEBDHN CCC[C@H](CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601139759 346766252 /nfs/dbraw/zinc/76/62/52/346766252.db2.gz JFJMSHDXOSPNQD-GFCCVEGCSA-N 0 3 282.340 2.244 20 5 CEBDHN CN1CCN(CCCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601104378 346753146 /nfs/dbraw/zinc/75/31/46/346753146.db2.gz UUFFDIXZPSGTCH-UHFFFAOYSA-N 0 3 298.412 2.096 20 5 CEBDHN C[C@H](O)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602638305 347117834 /nfs/dbraw/zinc/11/78/34/347117834.db2.gz PNIXQLURBRCALU-QMMMGPOBSA-N 0 3 292.257 2.474 20 5 CEBDHN Cn1cc(CN(CCC2CC2)CC2CC2)c([N+](=O)[O-])n1 ZINC000602720325 347169952 /nfs/dbraw/zinc/16/99/52/347169952.db2.gz BSATUGDZSMVXNG-UHFFFAOYSA-N 0 3 278.356 2.340 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCc1cnccn1 ZINC000602821908 347213659 /nfs/dbraw/zinc/21/36/59/347213659.db2.gz CBYUVKGGTFPCBO-UHFFFAOYSA-N 0 3 286.335 2.102 20 5 CEBDHN Cc1[nH]ncc1CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000602937653 347252466 /nfs/dbraw/zinc/25/24/66/347252466.db2.gz KMZANXCGPOVLBV-UHFFFAOYSA-N 0 3 266.326 2.320 20 5 CEBDHN Cc1ncc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602954412 347255916 /nfs/dbraw/zinc/25/59/16/347255916.db2.gz DHZZUEVSEYXCPL-MRVPVSSYSA-N 0 3 295.368 2.215 20 5 CEBDHN CC(C)(C)[C@@H](N)c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000603205481 347309135 /nfs/dbraw/zinc/30/91/35/347309135.db2.gz CUDHCDRQOQJZNX-NSHDSACASA-N 0 3 295.368 2.342 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCN(C)C1 ZINC000608782020 347615853 /nfs/dbraw/zinc/61/58/53/347615853.db2.gz GYWIOCXJWKVQMA-CYBMUJFWSA-N 0 3 293.367 2.177 20 5 CEBDHN O=C(CCN1C[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000610762499 347711964 /nfs/dbraw/zinc/71/19/64/347711964.db2.gz QGGLPLHEKMLZMA-FZMZJTMJSA-N 0 3 289.335 2.408 20 5 CEBDHN C[C@@H](N[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337474 347767443 /nfs/dbraw/zinc/76/74/43/347767443.db2.gz MSJGISWCQMLZDW-ZWNOBZJWSA-N 0 3 264.325 2.406 20 5 CEBDHN CCN1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611091804 347739163 /nfs/dbraw/zinc/73/91/63/347739163.db2.gz RQFJPXDYPGRRKR-LBPRGKRZSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](O)C1CC1 ZINC000611206785 347750965 /nfs/dbraw/zinc/75/09/65/347750965.db2.gz IFYHIGCSDROMCR-HZMBPMFUSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CC2CC2)c(Cl)c1 ZINC000612187534 347854845 /nfs/dbraw/zinc/85/48/45/347854845.db2.gz SRFUSPJSTNKXAD-NSHDSACASA-N 0 3 284.743 2.499 20 5 CEBDHN CC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000087013116 179379591 /nfs/dbraw/zinc/37/95/91/179379591.db2.gz WYNKBTBDGOSZEX-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000615085034 348278934 /nfs/dbraw/zinc/27/89/34/348278934.db2.gz SZVOFRDPSVWSNN-HNNXBMFYSA-N 0 3 294.351 2.126 20 5 CEBDHN O=C(NCC12CCCN1CCC2)c1ccc([N+](=O)[O-])s1 ZINC000619574051 349201735 /nfs/dbraw/zinc/20/17/35/349201735.db2.gz MADUGBUDRKLHIG-UHFFFAOYSA-N 0 3 295.364 2.015 20 5 CEBDHN CCN(CCCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000271220517 191010523 /nfs/dbraw/zinc/01/05/23/191010523.db2.gz YYJSYDRSRXKNLO-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN CCN1CCC[C@@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691980 180024892 /nfs/dbraw/zinc/02/48/92/180024892.db2.gz BRQJWQUTRJSBHW-LLVKDONJSA-N 0 3 264.329 2.194 20 5 CEBDHN CCN(C)CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000091461612 180161786 /nfs/dbraw/zinc/16/17/86/180161786.db2.gz TWTOGNUPGBNDMN-UHFFFAOYSA-N 0 3 271.292 2.106 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1CC ZINC000091558041 180190727 /nfs/dbraw/zinc/19/07/27/180190727.db2.gz DIGBHRPBFGAYRB-LLVKDONJSA-N 0 3 281.360 2.016 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CN1CCCCC1 ZINC000091556644 180190741 /nfs/dbraw/zinc/19/07/41/180190741.db2.gz GZZMDPVTROHUCG-NSHDSACASA-N 0 3 295.387 2.406 20 5 CEBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000271328980 191076496 /nfs/dbraw/zinc/07/64/96/191076496.db2.gz PXVQGWSMHPZRNV-CYBMUJFWSA-N 0 3 279.340 2.036 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCc1cnccn1 ZINC000271347388 191086731 /nfs/dbraw/zinc/08/67/31/191086731.db2.gz NWRLRNMBCBPMSD-UHFFFAOYSA-N 0 3 286.335 2.102 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000070445255 363082734 /nfs/dbraw/zinc/08/27/34/363082734.db2.gz NYUHAAUMBXSYAN-LLVKDONJSA-N 0 3 274.324 2.222 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000122318792 187026266 /nfs/dbraw/zinc/02/62/66/187026266.db2.gz VIRKPLISKMVXNQ-DGCLKSJQSA-N 0 3 275.352 2.310 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)CN(C)C ZINC000291875699 198092648 /nfs/dbraw/zinc/09/26/48/198092648.db2.gz OADGOLWYWCMNAT-SNVBAGLBSA-N 0 3 279.340 2.407 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000155337264 188199920 /nfs/dbraw/zinc/19/99/20/188199920.db2.gz LNTRHPBKJVEQBH-YPMHNXCESA-N 0 3 291.351 2.053 20 5 CEBDHN CC(C)N1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000155556909 188213855 /nfs/dbraw/zinc/21/38/55/188213855.db2.gz QAEKURRIHCGHSW-FZMZJTMJSA-N 0 3 291.351 2.053 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000293045557 198507226 /nfs/dbraw/zinc/50/72/26/198507226.db2.gz RDDRXAZFEYISLS-LBPRGKRZSA-N 0 3 252.314 2.234 20 5 CEBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000271743016 191301307 /nfs/dbraw/zinc/30/13/07/191301307.db2.gz AHFKEXPMNBLGSM-UHFFFAOYSA-N 0 3 265.288 2.408 20 5 CEBDHN CCOc1cccc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000134917789 366372606 /nfs/dbraw/zinc/37/26/06/366372606.db2.gz LDFZSWJBJYQITF-UHFFFAOYSA-N 0 3 279.340 2.500 20 5 CEBDHN CCC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000294913271 199244495 /nfs/dbraw/zinc/24/44/95/199244495.db2.gz BRRVERAZXVBGGR-CYBMUJFWSA-N 0 3 266.341 2.230 20 5 CEBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000136890139 366528842 /nfs/dbraw/zinc/52/88/42/366528842.db2.gz VEEJPWXJLXZWLH-ABAIWWIYSA-N 0 3 287.319 2.374 20 5 CEBDHN Cc1ccc([C@@H](C)N[C@H]2C[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000417352618 237091467 /nfs/dbraw/zinc/09/14/67/237091467.db2.gz GOASHHQRIZUNAU-QKCSRTOESA-N 0 3 264.325 2.467 20 5 CEBDHN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000417356375 237094674 /nfs/dbraw/zinc/09/46/74/237094674.db2.gz PLKZYKHRPSASPV-XHVZSJERSA-N 0 3 250.298 2.159 20 5 CEBDHN Cc1c(CN[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000149572895 366590754 /nfs/dbraw/zinc/59/07/54/366590754.db2.gz GQGJQDMUQMBRDS-ZYHUDNBSSA-N 0 3 250.298 2.170 20 5 CEBDHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000151791307 366666741 /nfs/dbraw/zinc/66/67/41/366666741.db2.gz OYJCCSPCZNMBRU-UHFFFAOYSA-N 0 3 285.369 2.069 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCN(C)C)C(C)C ZINC000151938816 366677974 /nfs/dbraw/zinc/67/79/74/366677974.db2.gz UNPWPVAXPZUJLY-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN Cc1ccc(NC(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000454147746 283640160 /nfs/dbraw/zinc/64/01/60/283640160.db2.gz OCUMCJNUFCSITB-UHFFFAOYSA-N 0 3 294.355 2.365 20 5 CEBDHN COc1cc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000104246544 364688017 /nfs/dbraw/zinc/68/80/17/364688017.db2.gz XULVVNNUSVFABH-UHFFFAOYSA-N 0 3 265.313 2.110 20 5 CEBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000115439518 365005103 /nfs/dbraw/zinc/00/51/03/365005103.db2.gz YRHXRAAHARYOOO-SNVBAGLBSA-N 0 3 297.380 2.070 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000119990703 365357645 /nfs/dbraw/zinc/35/76/45/365357645.db2.gz LAQXYMCNHYXQBQ-GFCCVEGCSA-N 0 3 282.365 2.411 20 5 CEBDHN Cc1c(C(=O)NCC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275825477 193138333 /nfs/dbraw/zinc/13/83/33/193138333.db2.gz FRRPSUNEBVVTFH-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000341204049 367219076 /nfs/dbraw/zinc/21/90/76/367219076.db2.gz OZDGQHZCVBYSMF-CMPLNLGQSA-N 0 3 292.339 2.199 20 5 CEBDHN CCCN(CCN1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000343247281 367723831 /nfs/dbraw/zinc/72/38/31/367723831.db2.gz GUDXDCYZBNWCFB-UHFFFAOYSA-N 0 3 278.356 2.302 20 5 CEBDHN C[C@H](N[C@H]1CN(C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009148 370868391 /nfs/dbraw/zinc/86/83/91/370868391.db2.gz CCCMGOBMTSEDBQ-MJVIPROJSA-N 0 3 263.341 2.196 20 5 CEBDHN CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172977823 367852770 /nfs/dbraw/zinc/85/27/70/367852770.db2.gz FNFLUCAHHYYSFJ-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN Cc1c(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343452730 367824536 /nfs/dbraw/zinc/82/45/36/367824536.db2.gz ORRGJICCQFNDQY-DGCLKSJQSA-N 0 3 291.351 2.116 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000343471239 367833166 /nfs/dbraw/zinc/83/31/66/367833166.db2.gz WAJNJTSGTPDTLH-YPMHNXCESA-N 0 3 291.351 2.116 20 5 CEBDHN COCCCN(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173444901 367910904 /nfs/dbraw/zinc/91/09/04/367910904.db2.gz WWOQNCARLFFCEU-CYBMUJFWSA-N 0 3 295.383 2.214 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(=O)N1 ZINC000353283044 220006802 /nfs/dbraw/zinc/00/68/02/220006802.db2.gz OMCUKZGEBAFOSI-ZDUSSCGKSA-N 0 3 291.351 2.084 20 5 CEBDHN C[C@H](NCCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000175770334 368175779 /nfs/dbraw/zinc/17/57/79/368175779.db2.gz XBFVXAIHLYCVQG-LBPRGKRZSA-N 0 3 291.351 2.258 20 5 CEBDHN C[C@H](c1ccccc1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176195908 368210295 /nfs/dbraw/zinc/21/02/95/368210295.db2.gz HLPJYICVQCHKRF-GFCCVEGCSA-N 0 3 274.324 2.484 20 5 CEBDHN C[C@@H](c1cccc(O)c1)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176237928 368215476 /nfs/dbraw/zinc/21/54/76/368215476.db2.gz AXFBQABFSSWONG-NSHDSACASA-N 0 3 290.323 2.190 20 5 CEBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181349567 368447664 /nfs/dbraw/zinc/44/76/64/368447664.db2.gz AZNHJZVPCLXKLI-GFCCVEGCSA-N 0 3 287.319 2.107 20 5 CEBDHN Cc1c(CN2CCC(C)(CO)CC2)cccc1[N+](=O)[O-] ZINC000186972332 369078496 /nfs/dbraw/zinc/07/84/96/369078496.db2.gz BLSJWYLTFXZWRL-UHFFFAOYSA-N 0 3 278.352 2.498 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H](C)CO ZINC000349274514 369286924 /nfs/dbraw/zinc/28/69/24/369286924.db2.gz GADPSYBCQKZTIL-SEVUFMINSA-N 0 3 264.325 2.311 20 5 CEBDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000330897384 203365136 /nfs/dbraw/zinc/36/51/36/203365136.db2.gz HMDBPGPLQRMIMN-TXEJJXNPSA-N 0 3 291.351 2.084 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCCC2)c1 ZINC000330897526 203366063 /nfs/dbraw/zinc/36/60/63/203366063.db2.gz MCKWSWXYUIAGBB-UHFFFAOYSA-N 0 3 291.351 2.071 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC1CC(O)C1 ZINC000190138123 369597608 /nfs/dbraw/zinc/59/76/08/369597608.db2.gz IZLABVSGZHLTKR-CDWSIMAYSA-N 0 3 264.325 2.359 20 5 CEBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCCO)c1 ZINC000193257525 369913387 /nfs/dbraw/zinc/91/33/87/369913387.db2.gz CODVNSDUPMMIMR-UHFFFAOYSA-N 0 3 290.266 2.058 20 5 CEBDHN CN(c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000354079010 370207364 /nfs/dbraw/zinc/20/73/64/370207364.db2.gz BHSUYPROVSZDTM-GFCCVEGCSA-N 0 3 279.315 2.407 20 5 CEBDHN CC1(C)[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000227072290 370356646 /nfs/dbraw/zinc/35/66/46/370356646.db2.gz WYEUGNKQPSCCLN-IACUBPJLSA-N 0 3 276.336 2.498 20 5 CEBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000354428445 370358263 /nfs/dbraw/zinc/35/82/63/370358263.db2.gz LKBRJUIJLQUBDQ-VFFGBVLKSA-N 0 3 264.325 2.311 20 5 CEBDHN CCNC(=O)C1(CNCc2csc([N+](=O)[O-])c2)CCC1 ZINC000277161668 193571531 /nfs/dbraw/zinc/57/15/31/193571531.db2.gz GZTRCCRDSCRJHP-UHFFFAOYSA-N 0 3 297.380 2.052 20 5 CEBDHN CC[C@@](C)(CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000230221996 370446526 /nfs/dbraw/zinc/44/65/26/370446526.db2.gz INFFVOMYJNYRMR-ZDUSSCGKSA-N 0 3 252.314 2.236 20 5 CEBDHN C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000230377261 370458858 /nfs/dbraw/zinc/45/88/58/370458858.db2.gz XGBQILGWXYMBRI-CQSZACIVSA-N 0 3 264.325 2.332 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000234889101 370547485 /nfs/dbraw/zinc/54/74/85/370547485.db2.gz SRHOKAXQALZXMY-ZFWWWQNUSA-N 0 3 292.335 2.261 20 5 CEBDHN CNC(=O)[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247742642 371139991 /nfs/dbraw/zinc/13/99/91/371139991.db2.gz XFCOGUVPXSTYAB-WCQYABFASA-N 0 3 291.351 2.114 20 5 CEBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247385214 371101518 /nfs/dbraw/zinc/10/15/18/371101518.db2.gz QAEKURRIHCGHSW-SMDDNHRTSA-N 0 3 291.351 2.053 20 5 CEBDHN C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000249521680 371330554 /nfs/dbraw/zinc/33/05/54/371330554.db2.gz NPQZZQFGHRRDRX-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](N(C)C)C1 ZINC000360949232 371555855 /nfs/dbraw/zinc/55/58/55/371555855.db2.gz HOHNMPPKRYJGGO-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN Cc1c([C@H](C)NC[C@]2(O)CCSC2)cccc1[N+](=O)[O-] ZINC000268908289 372282629 /nfs/dbraw/zinc/28/26/29/372282629.db2.gz HGIURCQFZPRIKJ-SMDDNHRTSA-N 0 3 296.392 2.422 20 5 CEBDHN COc1cc(NC2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000269346953 372425144 /nfs/dbraw/zinc/42/51/44/372425144.db2.gz INQVUJOXEXUDRT-UHFFFAOYSA-N 0 3 283.303 2.249 20 5 CEBDHN C[C@H](O)C[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000269775643 372562099 /nfs/dbraw/zinc/56/20/99/372562099.db2.gz DIPIRQVDAOQHRM-JSGCOSHPSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@@H](O)C[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000269772577 372562785 /nfs/dbraw/zinc/56/27/85/372562785.db2.gz BUXYFWJEBBYTCU-CHWSQXEVSA-N 0 3 294.351 2.209 20 5 CEBDHN C[C@H](NC[C@H](CO)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000353513982 220129608 /nfs/dbraw/zinc/12/96/08/220129608.db2.gz SVQNJZSASNGIKU-GXFFZTMASA-N 0 3 264.325 2.264 20 5 CEBDHN COC[C@@H](CNC/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000344798162 217313906 /nfs/dbraw/zinc/31/39/06/217313906.db2.gz RIOWJNAEQKEPPG-WASHYIJTSA-N 0 3 294.351 2.249 20 5 CEBDHN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271038735 373084447 /nfs/dbraw/zinc/08/44/47/373084447.db2.gz MJUKYGDPFJMURI-UHFFFAOYSA-N 0 3 277.368 2.163 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NC(C)C ZINC000344864275 217338230 /nfs/dbraw/zinc/33/82/30/217338230.db2.gz RYTNCHUHDXEWMW-KPKJPENVSA-N 0 3 291.351 2.112 20 5 CEBDHN C[C@@H](O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555921 373548648 /nfs/dbraw/zinc/54/86/48/373548648.db2.gz SEWZVZGVDFHKLP-HRLNJXSSSA-N 0 3 276.336 2.311 20 5 CEBDHN Cc1nc(N[C@@H](C)C2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000272897289 373700519 /nfs/dbraw/zinc/70/05/19/373700519.db2.gz IILRTYCWSFTCNZ-JTQLQIEISA-N 0 3 276.340 2.361 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H](CO)C1 ZINC000371863973 373995094 /nfs/dbraw/zinc/99/50/94/373995094.db2.gz JSBSVNLRJZTGTN-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN COc1cc(CN[C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])cc1F ZINC000274607258 373983334 /nfs/dbraw/zinc/98/33/34/373983334.db2.gz MXYHDTIOLSWPFU-UWVGGRQHSA-N 0 3 298.314 2.257 20 5 CEBDHN CCO[C@@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000274928025 374098157 /nfs/dbraw/zinc/09/81/57/374098157.db2.gz NNPWIYUGRODOKA-YUELXQCFSA-N 0 3 294.351 2.185 20 5 CEBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000275191069 374180600 /nfs/dbraw/zinc/18/06/00/374180600.db2.gz OWQYUHBUYQNQOH-SNVBAGLBSA-N 0 3 276.296 2.048 20 5 CEBDHN O=c1[nH]ccc2c1CN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000276927821 374349827 /nfs/dbraw/zinc/34/98/27/374349827.db2.gz LZRDNARWJJNOIU-UHFFFAOYSA-N 0 3 299.330 2.296 20 5 CEBDHN CCCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584473 374385171 /nfs/dbraw/zinc/38/51/71/374385171.db2.gz LJHVISYVEJDGSR-NSHDSACASA-N 0 3 252.318 2.228 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H](CO)C1 ZINC000377278506 374829918 /nfs/dbraw/zinc/82/99/18/374829918.db2.gz QDSLBOPDSWZQIR-LBPRGKRZSA-N 0 3 294.351 2.198 20 5 CEBDHN CCC[C@@H](NC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000382573532 375190836 /nfs/dbraw/zinc/19/08/36/375190836.db2.gz SZWLDYVCJYJXPP-HUUCEWRRSA-N 0 3 296.367 2.423 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O ZINC000386813539 375266848 /nfs/dbraw/zinc/26/68/48/375266848.db2.gz SEIFNRXGDVBYEQ-UFBFGSQYSA-N 0 3 272.732 2.497 20 5 CEBDHN CCN(CCOCCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000282108175 375404989 /nfs/dbraw/zinc/40/49/89/375404989.db2.gz PTLMCVZMYGSWLY-ZDUSSCGKSA-N 0 3 296.367 2.295 20 5 CEBDHN CCn1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000283077345 375650980 /nfs/dbraw/zinc/65/09/80/375650980.db2.gz QWSVIFBBWIHPOH-UHFFFAOYSA-N 0 3 288.351 2.486 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN(C3CCC3)CC2)cc1F ZINC000283155153 375665985 /nfs/dbraw/zinc/66/59/85/375665985.db2.gz ORHJADQYWYUSGQ-UHFFFAOYSA-N 0 3 293.342 2.404 20 5 CEBDHN COCC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000284038746 375799089 /nfs/dbraw/zinc/79/90/89/375799089.db2.gz OPXITDOSQJOSOV-UHFFFAOYSA-N 0 3 280.324 2.262 20 5 CEBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414537423 375840637 /nfs/dbraw/zinc/84/06/37/375840637.db2.gz YZCWDIAURMFAKF-KBPBESRZSA-N 0 3 266.341 2.480 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(C)(C)O ZINC000264107918 190091280 /nfs/dbraw/zinc/09/12/80/190091280.db2.gz SLBRAZAZDULBJK-SNVBAGLBSA-N 0 3 252.314 2.359 20 5 CEBDHN CC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293616357 377659641 /nfs/dbraw/zinc/65/96/41/377659641.db2.gz JKNYLKMGGVEFAV-MNOVXSKESA-N 0 3 252.314 2.325 20 5 CEBDHN Cc1nc(N[C@@H](C)CN2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295568454 378216568 /nfs/dbraw/zinc/21/65/68/378216568.db2.gz QZEILGWSMMIACY-MNOVXSKESA-N 0 3 293.371 2.226 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1C ZINC000450351952 378370868 /nfs/dbraw/zinc/37/08/68/378370868.db2.gz UUSIJDXZJWQOQU-CMPLNLGQSA-N 0 3 293.371 2.002 20 5 CEBDHN C[C@@H]1CSC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296681439 378615395 /nfs/dbraw/zinc/61/53/95/378615395.db2.gz GXFQSEGHHUYOTJ-PELKAZGASA-N 0 3 292.364 2.312 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@](C)(O)C1 ZINC000347363559 218205859 /nfs/dbraw/zinc/20/58/59/218205859.db2.gz RWGGDCMEXJUPAV-INDWDQIESA-N 0 3 276.336 2.455 20 5 CEBDHN CCOCC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278772391 194148984 /nfs/dbraw/zinc/14/89/84/194148984.db2.gz NFWRRRLKXSXEPB-NEPJUHHUSA-N 0 3 282.340 2.033 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(CCO)CC1 ZINC000518583584 379396701 /nfs/dbraw/zinc/39/67/01/379396701.db2.gz PMGKSMJAGCIDMP-UHFFFAOYSA-N 0 3 294.351 2.068 20 5 CEBDHN C[C@H]1C[C@@H]1N1CCN(c2ncccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488735311 380124871 /nfs/dbraw/zinc/12/48/71/380124871.db2.gz ORKVXUPHKQGXNC-OBJOEFQTSA-N 0 3 290.367 2.156 20 5 CEBDHN O=[N+]([O-])c1cccnc1N1CCN(C2CCCCC2)CC1 ZINC000152425341 285165987 /nfs/dbraw/zinc/16/59/87/285165987.db2.gz IYOYARBCZNUMRS-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN Cc1c(CN2CC[C@H](CO)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000288771601 197162221 /nfs/dbraw/zinc/16/22/21/197162221.db2.gz IIJDUXOVEWSJLI-AAEUAGOBSA-N 0 3 278.352 2.496 20 5 CEBDHN C[C@H](CNc1ncc([N+](=O)[O-])s1)CN1CCCC1 ZINC000189686333 130007801 /nfs/dbraw/zinc/00/78/01/130007801.db2.gz QGURFZYOAVBYBB-SECBINFHSA-N 0 3 270.358 2.195 20 5 CEBDHN Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421703785 394570091 /nfs/dbraw/zinc/57/00/91/394570091.db2.gz NALZAOOYPXKBTL-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)N1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413325870 394527354 /nfs/dbraw/zinc/52/73/54/394527354.db2.gz UVGWHLRNPRAJNI-JTQLQIEISA-N 0 3 282.319 2.048 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000265821111 394654129 /nfs/dbraw/zinc/65/41/29/394654129.db2.gz RVLCIJMJOKHMLX-GFCCVEGCSA-N 0 3 250.298 2.063 20 5 CEBDHN Cc1cc(N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000356739417 394599031 /nfs/dbraw/zinc/59/90/31/394599031.db2.gz JIDXNXHAWDGADW-LBPRGKRZSA-N 0 3 263.341 2.434 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000264404759 394639398 /nfs/dbraw/zinc/63/93/98/394639398.db2.gz KJODQDDWFVJATN-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN Cc1sc(C(=O)N(CCN(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356882313 394642142 /nfs/dbraw/zinc/64/21/42/394642142.db2.gz YFMCHDZYIIYHOW-UHFFFAOYSA-N 0 3 297.380 2.131 20 5 CEBDHN CCCCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000270611118 394736668 /nfs/dbraw/zinc/73/66/68/394736668.db2.gz ZCZSWIHPOBPABM-UHFFFAOYSA-N 0 3 279.340 2.021 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(O)C1 ZINC000267294450 394675746 /nfs/dbraw/zinc/67/57/46/394675746.db2.gz AQOWPBIAMKUSRA-ZWNOBZJWSA-N 0 3 250.298 2.113 20 5 CEBDHN CCN1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268210564 394691024 /nfs/dbraw/zinc/69/10/24/394691024.db2.gz QIIVIURLTYAHPA-UHFFFAOYSA-N 0 3 297.330 2.275 20 5 CEBDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000268448448 394695129 /nfs/dbraw/zinc/69/51/29/394695129.db2.gz FLTCHKUESBAPKS-PWSUYJOCSA-N 0 3 278.356 2.075 20 5 CEBDHN Cc1c([C@@H](C)N[C@@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000269063283 394710991 /nfs/dbraw/zinc/71/09/91/394710991.db2.gz YHXGIXYOARTHSS-CMPLNLGQSA-N 0 3 289.339 2.234 20 5 CEBDHN Cc1nc(N2CCC[C@@H]3CN(C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000269077832 394711358 /nfs/dbraw/zinc/71/13/58/394711358.db2.gz CKSDUYNNPBUGKU-TZMCWYRMSA-N 0 3 290.367 2.219 20 5 CEBDHN Cc1cc(N2CC(N(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000273315261 394787167 /nfs/dbraw/zinc/78/71/67/394787167.db2.gz OGBVAQIQCCOLKU-UHFFFAOYSA-N 0 3 286.335 2.202 20 5 CEBDHN Cc1cccc(N2CC[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000365057289 394918264 /nfs/dbraw/zinc/91/82/64/394918264.db2.gz VLSUJGQLCRWGMF-OCCSQVGLSA-N 0 3 275.352 2.434 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C)[C@H]2C)n1 ZINC000343462195 395039242 /nfs/dbraw/zinc/03/92/42/395039242.db2.gz SYJLBVOLKSXKGB-WDEREUQCSA-N 0 3 264.329 2.193 20 5 CEBDHN Nc1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000287456018 395041550 /nfs/dbraw/zinc/04/15/50/395041550.db2.gz RVYVJOTXHPEDQV-ZDUSSCGKSA-N 0 3 290.367 2.242 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOC[C@H]1C ZINC000430232010 395164196 /nfs/dbraw/zinc/16/41/96/395164196.db2.gz DXHHLOVUANEJOQ-ZWNOBZJWSA-N 0 3 280.324 2.118 20 5 CEBDHN C[C@@H](CC(N)=O)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433304581 395220049 /nfs/dbraw/zinc/22/00/49/395220049.db2.gz NGLMYAXQGKHCPE-TVQRCGJNSA-N 0 3 291.351 2.171 20 5 CEBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCN(C)C1CC1 ZINC000186784851 395294456 /nfs/dbraw/zinc/29/44/56/395294456.db2.gz ODRBOASZSIONTH-UHFFFAOYSA-N 0 3 277.368 2.163 20 5 CEBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186913163 395296194 /nfs/dbraw/zinc/29/61/94/395296194.db2.gz VUGCVANEPHSRLA-WFASDCNBSA-N 0 3 294.351 2.066 20 5 CEBDHN CN(C[C@H]1CCCN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000420629660 395392940 /nfs/dbraw/zinc/39/29/40/395392940.db2.gz CTTROCFYGRYXFB-SNVBAGLBSA-N 0 3 267.304 2.264 20 5 CEBDHN Cc1c(CN2CCNC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000420328942 395331241 /nfs/dbraw/zinc/33/12/41/395331241.db2.gz ILRHAGDMRFHQFR-CQSZACIVSA-N 0 3 281.331 2.037 20 5 CEBDHN O=[N+]([O-])c1cnccc1N1CCN(C2CCCCC2)CC1 ZINC000205413453 395472860 /nfs/dbraw/zinc/47/28/60/395472860.db2.gz BFAURZSJVDRGSE-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CSCCN(C)C ZINC000446569351 395493846 /nfs/dbraw/zinc/49/38/46/395493846.db2.gz NBAMUEZAEUKVNS-UHFFFAOYSA-N 0 3 270.354 2.398 20 5 CEBDHN CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000449508282 395551891 /nfs/dbraw/zinc/55/18/91/395551891.db2.gz UXSGCBITSIFMIB-RISCZKNCSA-N 0 3 264.325 2.452 20 5 CEBDHN Cc1ccc([C@H](C)NC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453680 153323240 /nfs/dbraw/zinc/32/32/40/153323240.db2.gz WPPACHWCCUIGDR-GZMMTYOYSA-N 0 3 274.267 2.180 20 5 CEBDHN CO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227825858 153350316 /nfs/dbraw/zinc/35/03/16/153350316.db2.gz FMOJILSTZHSLPE-CHWSQXEVSA-N 0 3 264.325 2.498 20 5 CEBDHN CC(=O)c1cc(N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000228261208 153363315 /nfs/dbraw/zinc/36/33/15/153363315.db2.gz YOILOCYQQLBMLO-ZDUSSCGKSA-N 0 3 291.351 2.328 20 5 CEBDHN O=[N+]([O-])c1ccccc1CNCC[C@H]1CCOC1 ZINC000230162134 153385329 /nfs/dbraw/zinc/38/53/29/153385329.db2.gz ITZXIYNHJOQIPE-NSHDSACASA-N 0 3 250.298 2.111 20 5 CEBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCC[C@@H](O)C2)cs1 ZINC000230667236 153399384 /nfs/dbraw/zinc/39/93/84/153399384.db2.gz AMUXYIREFOYAQD-GXSJLCMTSA-N 0 3 270.354 2.297 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(C2CC2)CC1 ZINC000360880592 155395445 /nfs/dbraw/zinc/39/54/45/155395445.db2.gz YMMDVDGPKHDTKQ-UHFFFAOYSA-N 0 3 293.371 2.158 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC[C@@H](O)C(F)(F)F)cs1 ZINC000349326135 154314733 /nfs/dbraw/zinc/31/47/33/154314733.db2.gz CXDHIYUKUKAWRQ-SSDOTTSWSA-N 0 3 284.259 2.059 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](O)CC1 ZINC000354748452 154350942 /nfs/dbraw/zinc/35/09/42/154350942.db2.gz QICPKDPRTFPVDM-XSHSDMCLSA-N 0 3 276.336 2.455 20 5 CEBDHN Cc1c(CN2CCN(C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000357076286 154374712 /nfs/dbraw/zinc/37/47/12/154374712.db2.gz WRDBWOLCTIXZCU-STQMWFEESA-N 0 3 277.368 2.428 20 5 CEBDHN CCC[C@@H](NCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199284 171063090 /nfs/dbraw/zinc/06/30/90/171063090.db2.gz QJPOBPMPDUSSMV-CQSZACIVSA-N 0 3 282.340 2.035 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000020208268 171071928 /nfs/dbraw/zinc/07/19/28/171071928.db2.gz NRMVTNUCGFPDFY-GXFFZTMASA-N 0 3 250.298 2.252 20 5 CEBDHN CCC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285338602 196254632 /nfs/dbraw/zinc/25/46/32/196254632.db2.gz OOMISYADYLXNIZ-UHFFFAOYSA-N 0 3 264.325 2.438 20 5 CEBDHN C[C@H](NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000037176999 173010789 /nfs/dbraw/zinc/01/07/89/173010789.db2.gz ZLTXUHOMVFKIGR-GWCFXTLKSA-N 0 3 250.298 2.424 20 5 CEBDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177061 173010868 /nfs/dbraw/zinc/01/08/68/173010868.db2.gz UZENUEZWKYPTNS-NSHDSACASA-N 0 3 279.340 2.018 20 5 CEBDHN COC[C@H](NCc1ccccc1[N+](=O)[O-])C(C)C ZINC000086697971 260396470 /nfs/dbraw/zinc/39/64/70/260396470.db2.gz BMWSRHGHCCXNMP-LBPRGKRZSA-N 0 3 252.314 2.355 20 5 CEBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000395267852 270346097 /nfs/dbraw/zinc/34/60/97/270346097.db2.gz JWDXESNHXOVMOJ-NRUUGDAUSA-N 0 3 252.314 2.405 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CCO)C(C)(C)C ZINC000430220387 271365316 /nfs/dbraw/zinc/36/53/16/271365316.db2.gz PRSVLYSEBMGLMP-AWEZNQCLSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H](Cn1cccn1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285374863 274232617 /nfs/dbraw/zinc/23/26/17/274232617.db2.gz WDVSLCXLQJTLCU-QWRGUYRKSA-N 0 3 289.339 2.113 20 5 CEBDHN C[C@@H]1CCC[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090530027 274296153 /nfs/dbraw/zinc/29/61/53/274296153.db2.gz ZWKLOCOFPIENEB-TXEJJXNPSA-N 0 3 279.340 2.019 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000133503436 274395094 /nfs/dbraw/zinc/39/50/94/274395094.db2.gz DXSDZEWRXINXKV-NXEZZACHSA-N 0 3 262.313 2.027 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCCO)CCCC2 ZINC000417305772 275038069 /nfs/dbraw/zinc/03/80/69/275038069.db2.gz XPPVJVWTRSZVKK-CQSZACIVSA-N 0 3 264.325 2.334 20 5 CEBDHN CN(C)CC1(Nc2nc3sccn3c2[N+](=O)[O-])CCC1 ZINC000282061788 276782338 /nfs/dbraw/zinc/78/23/38/276782338.db2.gz ZYWFRXCZJRCVOX-UHFFFAOYSA-N 0 3 295.368 2.200 20 5 CEBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339623357 278776500 /nfs/dbraw/zinc/77/65/00/278776500.db2.gz XILIECGNXRIABH-VXGBXAGGSA-N 0 3 263.341 2.119 20 5 CEBDHN CCN1CC[C@@H](N(C)c2ncc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266209435 279398556 /nfs/dbraw/zinc/39/85/56/279398556.db2.gz MHKUKKRLHINCJR-QWHCGFSZSA-N 0 3 292.383 2.465 20 5 CEBDHN C[C@H]1[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000356979712 280112171 /nfs/dbraw/zinc/11/21/71/280112171.db2.gz FDVJLHYENYDHHK-RYUDHWBXSA-N 0 3 263.341 2.119 20 5 CEBDHN Cc1ccc(CN2CC[C@@H](C)[C@H]2CO)cc1[N+](=O)[O-] ZINC000249059078 280381808 /nfs/dbraw/zinc/38/18/08/280381808.db2.gz HLCNMVXNSVKCBS-BXUZGUMPSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000301589300 281013635 /nfs/dbraw/zinc/01/36/35/281013635.db2.gz XYCWCSKEUXELFG-ZDUSSCGKSA-N 0 3 273.336 2.354 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1(O)CCC1)CCC2 ZINC000447541417 281834463 /nfs/dbraw/zinc/83/44/63/281834463.db2.gz MHTORLLSRPFGSV-CQSZACIVSA-N 0 3 276.336 2.477 20 5 CEBDHN C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242752 290021901 /nfs/dbraw/zinc/02/19/01/290021901.db2.gz BRHSFPZLXXZJCQ-OPQQBVKSSA-N 0 3 250.298 2.423 20 5 CEBDHN CC[C@H](NC[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459380387 290131639 /nfs/dbraw/zinc/13/16/39/290131639.db2.gz BJCBDRBWRWMIRJ-JSGCOSHPSA-N 0 3 291.351 2.162 20 5 CEBDHN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000191269459 290355309 /nfs/dbraw/zinc/35/53/09/290355309.db2.gz APCZWYPXOZXHMV-QWRGUYRKSA-N 0 3 264.325 2.329 20 5 CEBDHN Cc1ccc(CN2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000530495452 298074426 /nfs/dbraw/zinc/07/44/26/298074426.db2.gz LYXACRGZBGYDHL-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN CO[C@]1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000545184308 298328911 /nfs/dbraw/zinc/32/89/11/298328911.db2.gz NXJPXLYINNWCGQ-DOMZBBRYSA-N 0 3 294.351 2.359 20 5 CEBDHN Cc1cc(N2CCNC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000562832557 298715680 /nfs/dbraw/zinc/71/56/80/298715680.db2.gz VGRHGPSFCAKFRV-ZDUSSCGKSA-N 0 3 267.304 2.041 20 5 CEBDHN C[C@H](NCC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157481613 533831360 /nfs/dbraw/zinc/83/13/60/533831360.db2.gz HDXLMQLGWALGBJ-NSHDSACASA-N 0 3 264.325 2.408 20 5 CEBDHN Cc1c(CN2C[C@H](C)C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000401691959 533846338 /nfs/dbraw/zinc/84/63/38/533846338.db2.gz GVNAZNOUZQVQHG-MFKMUULPSA-N 0 3 264.325 2.106 20 5 CEBDHN Cc1c([C@@H](C)NCC(C)(C)C(N)=O)cccc1[N+](=O)[O-] ZINC000183637325 525893833 /nfs/dbraw/zinc/89/38/33/525893833.db2.gz BUWVSKKEPGRWIJ-SNVBAGLBSA-N 0 3 279.340 2.065 20 5 CEBDHN CC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000414528253 529186827 /nfs/dbraw/zinc/18/68/27/529186827.db2.gz NXZAVSPLFGBZSK-TZMCWYRMSA-N 0 3 266.341 2.480 20 5 CEBDHN Cc1ccc(C(=O)NCCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000742238921 575012771 /nfs/dbraw/zinc/01/27/71/575012771.db2.gz IREXJDIRJFIJIB-GFCCVEGCSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](N[C@H](CCO)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000746049671 575147396 /nfs/dbraw/zinc/14/73/96/575147396.db2.gz UWEPGVRCQHSFEU-ZWNOBZJWSA-N 0 3 264.325 2.406 20 5 CEBDHN CO[C@@H](C)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000750083630 575245880 /nfs/dbraw/zinc/24/58/80/575245880.db2.gz WLJXAMWAYSVECN-SWLSCSKDSA-N 0 3 296.367 2.374 20 5 CEBDHN CC(COC(=O)[C@H](C)c1cccc(F)c1)[N+](=O)[O-] ZINC000813101692 623018133 /nfs/dbraw/zinc/01/81/33/623018133.db2.gz HBHSIFUEOAIRDB-RKDXNWHRSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(COC(=O)CCCc1ccccc1)[N+](=O)[O-] ZINC000813110666 623043600 /nfs/dbraw/zinc/04/36/00/623043600.db2.gz HEDFVWSRJQXCCF-LLVKDONJSA-N 0 3 251.282 2.218 20 5 CEBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813115380 623081250 /nfs/dbraw/zinc/08/12/50/623081250.db2.gz QLORMWYIFFEECV-MRVPVSSYSA-N 0 3 257.311 2.198 20 5 CEBDHN COCCOC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000743479548 624777043 /nfs/dbraw/zinc/77/70/43/624777043.db2.gz IOWNBVJTIPUBQC-RYUDHWBXSA-N 0 3 282.340 2.297 20 5 CEBDHN COC(=O)CC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000177923591 625915560 /nfs/dbraw/zinc/91/55/60/625915560.db2.gz VYSUMGFTQONEAM-UHFFFAOYSA-N 0 3 266.297 2.026 20 5 CEBDHN CN1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000042545420 634495830 /nfs/dbraw/zinc/49/58/30/634495830.db2.gz MBKMJOHZPHSYRR-SNVBAGLBSA-N 0 3 269.732 2.042 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCc2sccc2C1=O)[N+](=O)[O-] ZINC000893047789 627968057 /nfs/dbraw/zinc/96/80/57/627968057.db2.gz ONZSXHOOOVKYPS-IUCAKERBSA-N 0 3 297.332 2.092 20 5 CEBDHN COc1ccc(CNCCc2ccccc2[N+](=O)[O-])nc1 ZINC000893067906 627976481 /nfs/dbraw/zinc/97/64/81/627976481.db2.gz MULCLVCKFQXAMA-UHFFFAOYSA-N 0 3 287.319 2.331 20 5 CEBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCSCC2)cc1 ZINC000776595804 628501288 /nfs/dbraw/zinc/50/12/88/628501288.db2.gz SDKYRRBSIFALMB-ZDUSSCGKSA-N 0 3 282.365 2.067 20 5 CEBDHN C[C@@H]1[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1C ZINC000928457056 629722296 /nfs/dbraw/zinc/72/22/96/629722296.db2.gz OUIDKAUUKQPXBN-LDYMZIIASA-N 0 3 297.742 2.071 20 5 CEBDHN CN1CC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000895769037 630338414 /nfs/dbraw/zinc/33/84/14/630338414.db2.gz LXBOUDUPPXPHHF-LBPRGKRZSA-N 0 3 272.308 2.259 20 5 CEBDHN COc1c(O)ccc(CN[C@@H](C)C(C)(C)OC)c1[N+](=O)[O-] ZINC000896609145 630611724 /nfs/dbraw/zinc/61/17/24/630611724.db2.gz WUNYKNUGJMQZMR-VIFPVBQESA-N 0 3 298.339 2.212 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C(C)(C)OC)c1[N+](=O)[O-] ZINC000896609145 630611725 /nfs/dbraw/zinc/61/17/25/630611725.db2.gz WUNYKNUGJMQZMR-VIFPVBQESA-N 0 3 298.339 2.212 20 5 CEBDHN CC1(C)CCN(CCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000897248368 631015047 /nfs/dbraw/zinc/01/50/47/631015047.db2.gz OOZLQZHKSHYAGS-UHFFFAOYSA-N 0 3 282.319 2.273 20 5 CEBDHN CC1(C)CCN(CCNc2cccnc2[N+](=O)[O-])C1 ZINC000897248393 631015566 /nfs/dbraw/zinc/01/55/66/631015566.db2.gz PATHWOSVUPGSKZ-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCC1 ZINC000801540531 631285864 /nfs/dbraw/zinc/28/58/64/631285864.db2.gz BEKGHJIGVHPOBJ-UHFFFAOYSA-N 0 3 268.288 2.081 20 5 CEBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813101873 632620724 /nfs/dbraw/zinc/62/07/24/632620724.db2.gz KMLYHZMKDZGPLN-LLVKDONJSA-N 0 3 251.282 2.054 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@]12CCc1ccccc12)[N+](=O)[O-] ZINC000813101775 632620830 /nfs/dbraw/zinc/62/08/30/632620830.db2.gz IMNPNAFZCQETEA-YVLXSGLVSA-N 0 3 275.304 2.099 20 5 CEBDHN CC(COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[N+](=O)[O-] ZINC000813102686 632622184 /nfs/dbraw/zinc/62/21/84/632622184.db2.gz IUCIHVHKQMQFTB-FXAINCCUSA-N 0 3 267.256 2.138 20 5 CEBDHN CC(COC(=O)/C=C/c1ccccc1F)[N+](=O)[O-] ZINC000813104336 632622586 /nfs/dbraw/zinc/62/25/86/632622586.db2.gz YRGFJENSLYXHCS-UCUJLANTSA-N 0 3 253.229 2.047 20 5 CEBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c(-c2ccccc2)o1 ZINC000813105550 632623801 /nfs/dbraw/zinc/62/38/01/632623801.db2.gz OIJAWIWVSUSEOZ-VIFPVBQESA-N 0 3 290.275 2.472 20 5 CEBDHN CC[C@H](OC1CCCCC1)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107628 632624551 /nfs/dbraw/zinc/62/45/51/632624551.db2.gz PKQVBVCUHGEXLT-PWSUYJOCSA-N 0 3 273.329 2.323 20 5 CEBDHN CC(COC(=O)[C@]1(C)CCc2ccccc2C1)[N+](=O)[O-] ZINC000813107569 632624599 /nfs/dbraw/zinc/62/45/99/632624599.db2.gz TZYFRZOEESIJPN-IAQYHMDHSA-N 0 3 277.320 2.390 20 5 CEBDHN Cc1cc(F)c(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813107392 632624609 /nfs/dbraw/zinc/62/46/09/632624609.db2.gz MVOSXGXUTONFGB-SSDOTTSWSA-N 0 3 259.208 2.095 20 5 CEBDHN CC(COC(=O)Cc1csc(-c2ccoc2)n1)[N+](=O)[O-] ZINC000813108836 632625891 /nfs/dbraw/zinc/62/58/91/632625891.db2.gz BCYDZAVEGQFANT-MRVPVSSYSA-N 0 3 296.304 2.154 20 5 CEBDHN CC(COC(=O)Cc1cc(Cl)cc2c1OCC2)[N+](=O)[O-] ZINC000813108989 632625949 /nfs/dbraw/zinc/62/59/49/632625949.db2.gz NJKIELLMRNNDGS-QMMMGPOBSA-N 0 3 299.710 2.026 20 5 CEBDHN CC(COC(=O)Cc1c[nH]c2ccc(F)cc12)[N+](=O)[O-] ZINC000813109372 632626240 /nfs/dbraw/zinc/62/62/40/632626240.db2.gz JLBPHUPGEWXTOT-QMMMGPOBSA-N 0 3 280.255 2.058 20 5 CEBDHN CC(COC(=O)CCc1ccccc1Cl)[N+](=O)[O-] ZINC000813110179 632626612 /nfs/dbraw/zinc/62/66/12/632626612.db2.gz UJKZJFGNCARDME-SECBINFHSA-N 0 3 271.700 2.481 20 5 CEBDHN CSc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813112579 632627335 /nfs/dbraw/zinc/62/73/35/632627335.db2.gz ISJSFXSXXYJGCH-QMMMGPOBSA-N 0 3 255.295 2.231 20 5 CEBDHN CC(COC(=O)c1cnc2ccc(F)cc2c1)[N+](=O)[O-] ZINC000813112424 632627691 /nfs/dbraw/zinc/62/76/91/632627691.db2.gz GXETWFSBVBJEPH-QMMMGPOBSA-N 0 3 278.239 2.196 20 5 CEBDHN COc1ccc2nc(C(=O)OCC(C)[N+](=O)[O-])ccc2c1 ZINC000813114697 632628462 /nfs/dbraw/zinc/62/84/62/632628462.db2.gz VJBIBBORVIGFRN-VIFPVBQESA-N 0 3 290.275 2.065 20 5 CEBDHN Cc1ccccc1OCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113189 632628639 /nfs/dbraw/zinc/62/86/39/632628639.db2.gz BVOFFXGTJQZGNT-GFCCVEGCSA-N 0 3 281.308 2.362 20 5 CEBDHN Cc1cccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c21 ZINC000813115301 632629112 /nfs/dbraw/zinc/62/91/12/632629112.db2.gz ORWUEDWQTPBORU-SNVBAGLBSA-N 0 3 276.292 2.227 20 5 CEBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])ccn1C(C)C ZINC000816090862 633115641 /nfs/dbraw/zinc/11/56/41/633115641.db2.gz APJXPOBHLXSLRQ-SECBINFHSA-N 0 3 254.286 2.199 20 5 CEBDHN COc1cc([C@H](C)N[C@H]2C[C@@H](O)C2(C)C)cc([N+](=O)[O-])c1 ZINC000903153895 634991712 /nfs/dbraw/zinc/99/17/12/634991712.db2.gz PJKVJZFDKNJRHX-QCZZGDTMSA-N 0 3 294.351 2.413 20 5 CEBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000905276412 636204080 /nfs/dbraw/zinc/20/40/80/636204080.db2.gz XYBUAZVTGBQVJN-MGCOHNPYSA-N 0 3 254.717 2.452 20 5 CEBDHN CC(COC(=O)C[C@H]1CSc2ccccc2O1)[N+](=O)[O-] ZINC000835455913 638263045 /nfs/dbraw/zinc/26/30/45/638263045.db2.gz QESJTXIOYKRCFB-UWVGGRQHSA-N 0 3 297.332 2.138 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@](C)(O)C1 ZINC000876792530 650433851 /nfs/dbraw/zinc/43/38/51/650433851.db2.gz XEGMERQOHZTADX-AWEZNQCLSA-N 0 3 264.325 2.168 20 5 CEBDHN Cc1ncc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000113711392 640442078 /nfs/dbraw/zinc/44/20/78/640442078.db2.gz YCWOJQZKISAMHW-ZDUSSCGKSA-N 0 3 293.348 2.183 20 5 CEBDHN CCN1CCC[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000918734888 640987753 /nfs/dbraw/zinc/98/77/53/640987753.db2.gz BILPWQMNBMHALU-NSHDSACASA-N 0 3 289.339 2.139 20 5 CEBDHN CCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877024 641117605 /nfs/dbraw/zinc/11/76/05/641117605.db2.gz DEAVPTBBMJDBFG-UFBFGSQYSA-N 0 3 255.245 2.485 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CCF)cc1Cl ZINC000846098984 641181089 /nfs/dbraw/zinc/18/10/89/641181089.db2.gz WEJZZAZEFSATEL-SECBINFHSA-N 0 3 276.695 2.058 20 5 CEBDHN C[C@H](CCO)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846111259 641185840 /nfs/dbraw/zinc/18/58/40/641185840.db2.gz NMMRQDMQMNIPJB-SECBINFHSA-N 0 3 272.732 2.451 20 5 CEBDHN CC(COC(=O)c1cccc2c1OC(C)(C)C2)[N+](=O)[O-] ZINC000847714076 641748647 /nfs/dbraw/zinc/74/86/47/641748647.db2.gz JUZWHJRCFGTCIW-VIFPVBQESA-N 0 3 279.292 2.222 20 5 CEBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000852587065 643484213 /nfs/dbraw/zinc/48/42/13/643484213.db2.gz RGPXDVSFOBFWHM-XUJVJEKNSA-N 0 3 294.351 2.128 20 5 CEBDHN CO[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000877827570 650923963 /nfs/dbraw/zinc/92/39/63/650923963.db2.gz CBILISHKIUSSAI-ZOWXZIJZSA-N 0 3 294.351 2.297 20 5 CEBDHN COc1ccc(OCCN2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761097503 645240070 /nfs/dbraw/zinc/24/00/70/645240070.db2.gz TTWYXKBDVALFLY-PWSUYJOCSA-N 0 3 278.308 2.076 20 5 CEBDHN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000765849348 645816399 /nfs/dbraw/zinc/81/63/99/645816399.db2.gz PAOZLWFXPYXVLP-BXKDBHETSA-N 0 3 293.348 2.436 20 5 CEBDHN Cc1ccccc1C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777185 645902867 /nfs/dbraw/zinc/90/28/67/645902867.db2.gz MBOCMFWTFXJREC-RYUDHWBXSA-N 0 3 265.309 2.382 20 5 CEBDHN C[C@@H](Cn1cncn1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783601847 647735605 /nfs/dbraw/zinc/73/56/05/647735605.db2.gz UWKGGDANYRJJOM-VIFPVBQESA-N 0 3 295.730 2.018 20 5 CEBDHN Cc1c(CNCCOC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873048935 649544273 /nfs/dbraw/zinc/54/42/73/649544273.db2.gz SBCVWPRMUDBJFQ-CYBMUJFWSA-N 0 3 294.351 2.046 20 5 CEBDHN Cc1ncc(C(F)(F)F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532785 649695868 /nfs/dbraw/zinc/69/58/68/649695868.db2.gz NPVZUQXMDSYTGQ-ZCFIWIBFSA-N 0 3 292.213 2.231 20 5 CEBDHN Cc1ccc(CN(CCOCCO)C(C)C)cc1[N+](=O)[O-] ZINC000878567677 651132450 /nfs/dbraw/zinc/13/24/50/651132450.db2.gz CFLAFKCKDRXVLK-UHFFFAOYSA-N 0 3 296.367 2.123 20 5 CEBDHN CO[C@H]1CC[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000879317197 651282946 /nfs/dbraw/zinc/28/29/46/651282946.db2.gz CCFORZKCKUOOOA-WFASDCNBSA-N 0 3 294.351 2.473 20 5 CEBDHN CO[C@@H]1CC[C@@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322118 651285316 /nfs/dbraw/zinc/28/53/16/651285316.db2.gz QIWACLORZUXHNU-KCPJHIHWSA-N 0 3 294.351 2.128 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(C)(C)O)C1 ZINC000880148920 651393405 /nfs/dbraw/zinc/39/34/05/651393405.db2.gz PUSYCOMLCCENAI-LBPRGKRZSA-N 0 3 294.351 2.196 20 5 CEBDHN CC(=O)c1c(NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000881843537 651899864 /nfs/dbraw/zinc/89/98/64/651899864.db2.gz GWCPCPXMMSAYJA-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN CC1(N2CCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000882964180 652294634 /nfs/dbraw/zinc/29/46/34/652294634.db2.gz VKLAARGNWZZTBF-UHFFFAOYSA-N 0 3 282.369 2.116 20 5 CEBDHN Cc1c(C)c(N2CCN(CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC001164654332 719334571 /nfs/dbraw/zinc/33/45/71/719334571.db2.gz NPEWGKJEVIADOI-UHFFFAOYSA-N 0 3 292.383 2.385 20 5 CEBDHN CCN1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762890 805725503 /nfs/dbraw/zinc/72/55/03/805725503.db2.gz DVHFKHXVVXXMJQ-ZDUSSCGKSA-N 0 3 250.298 2.458 20 5 CEBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000300570173 806507293 /nfs/dbraw/zinc/50/72/93/806507293.db2.gz DWWQSYYWRGZRDP-ZANVPECISA-N 0 3 268.288 2.391 20 5 CEBDHN CC/C(C)=C/C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001126752066 806517206 /nfs/dbraw/zinc/51/72/06/806517206.db2.gz LZENDTIZYARGDE-ZRDIBKRKSA-N 0 3 291.351 2.157 20 5 CEBDHN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC001225440331 804879900 /nfs/dbraw/zinc/87/99/00/804879900.db2.gz FHTLTGBILWEDNN-LBPRGKRZSA-N 0 3 280.324 2.467 20 5 CEBDHN Cn1cc(CN2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC001119306270 815087893 /nfs/dbraw/zinc/08/78/93/815087893.db2.gz NKEJYFGENQMCQN-NEPJUHHUSA-N 0 3 278.356 2.340 20 5 CEBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000706499392 809827692 /nfs/dbraw/zinc/82/76/92/809827692.db2.gz LJUBFBZDHQTDFV-DTWKUNHWSA-N 0 3 297.742 2.071 20 5 CEBDHN CN(CC[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001119817035 810548642 /nfs/dbraw/zinc/54/86/42/810548642.db2.gz MLFALJAVSLFMDK-UONOGXRCSA-N 0 3 282.315 2.254 20 5 CEBDHN CCCN[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000294952375 199268236 /nfs/dbraw/zinc/26/82/36/199268236.db2.gz FLAXRNAZPABLBM-SNVBAGLBSA-N 0 3 265.313 2.230 20 5 CEBDHN CN(CCCn1ccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000124425694 187137300 /nfs/dbraw/zinc/13/73/00/187137300.db2.gz VNNZDAMOVYOQNJ-UHFFFAOYSA-N 0 3 274.324 2.313 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccnn1C ZINC000449079683 282092126 /nfs/dbraw/zinc/09/21/26/282092126.db2.gz ZVHJHGVLTTYIBE-NSHDSACASA-N 0 3 274.324 2.049 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2C[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000601292315 346813972 /nfs/dbraw/zinc/81/39/72/346813972.db2.gz URTHQKYDTFDVLG-SDDRHHMPSA-N 0 3 264.325 2.325 20 5 CEBDHN C[C@@H](NCC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298504 346815142 /nfs/dbraw/zinc/81/51/42/346815142.db2.gz IXNCJIDXXWGFFQ-KCJUWKMLSA-N 0 3 274.267 2.262 20 5 CEBDHN Cc1ccc([C@@H](C)NCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037751759 361928986 /nfs/dbraw/zinc/92/89/86/361928986.db2.gz ANRAAQMQDRQAQG-LLVKDONJSA-N 0 3 279.340 2.032 20 5 CEBDHN CC1CCN(CCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000040772192 361997383 /nfs/dbraw/zinc/99/73/83/361997383.db2.gz UDIPRVXYTURXMN-UHFFFAOYSA-N 0 3 283.397 2.478 20 5 CEBDHN CC1CCN(CCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000040771697 361997469 /nfs/dbraw/zinc/99/74/69/361997469.db2.gz RHCSJTSBGAHSAA-UHFFFAOYSA-N 0 3 277.368 2.416 20 5 CEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)F ZINC000449284190 282171445 /nfs/dbraw/zinc/17/14/45/282171445.db2.gz OIFZFKHXJPOQRR-KOLCDFICSA-N 0 3 288.294 2.132 20 5 CEBDHN COc1ccc(CN(C)CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000449423923 282230433 /nfs/dbraw/zinc/23/04/33/282230433.db2.gz OOOOHVPZLGVWPG-UHFFFAOYSA-N 0 3 282.340 2.054 20 5 CEBDHN C[C@H](CN1CCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032662877 343414638 /nfs/dbraw/zinc/41/46/38/343414638.db2.gz XPNOHLZXZATDJY-GFCCVEGCSA-N 0 3 291.351 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](CO)C2)c(Cl)c1 ZINC000294994609 199290200 /nfs/dbraw/zinc/29/02/00/199290200.db2.gz HYDNRSFHRKSPKL-KOLCDFICSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444301 343499378 /nfs/dbraw/zinc/49/93/78/343499378.db2.gz JVHOASRTMNMORA-JSGCOSHPSA-N 0 3 294.351 2.209 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC)[C@H](C)O ZINC000449543719 282278077 /nfs/dbraw/zinc/27/80/77/282278077.db2.gz OTCLNRAJSNYSMO-GWCFXTLKSA-N 0 3 282.340 2.243 20 5 CEBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000048336384 362258076 /nfs/dbraw/zinc/25/80/76/362258076.db2.gz QVDHAMZWHNTADB-UHFFFAOYSA-N 0 3 264.329 2.134 20 5 CEBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cnccn1 ZINC000090910075 344146409 /nfs/dbraw/zinc/14/64/09/344146409.db2.gz XGQLBOFCJBIBAT-LLVKDONJSA-N 0 3 272.308 2.278 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1N1CCN(CC2CC2)CC1 ZINC000117179795 344288831 /nfs/dbraw/zinc/28/88/31/344288831.db2.gz ZRXQZOORRJAESI-UHFFFAOYSA-N 0 3 275.352 2.435 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000236736631 344597104 /nfs/dbraw/zinc/59/71/04/344597104.db2.gz PFTFXASFRBHCQV-DGCLKSJQSA-N 0 3 293.367 2.454 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](CCO)C1 ZINC000051895576 362446531 /nfs/dbraw/zinc/44/65/31/362446531.db2.gz OCVNZAOHFFTDTE-LBPRGKRZSA-N 0 3 264.325 2.189 20 5 CEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCCC[C@H]2O)cs1 ZINC000052001314 362458656 /nfs/dbraw/zinc/45/86/56/362458656.db2.gz JJZMBCHRDJIKKN-VHSXEESVSA-N 0 3 256.327 2.049 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000286077769 344679383 /nfs/dbraw/zinc/67/93/83/344679383.db2.gz MDHKIOYXEBKMOU-JTQLQIEISA-N 0 3 260.297 2.211 20 5 CEBDHN CN1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000411144812 530053886 /nfs/dbraw/zinc/05/38/86/530053886.db2.gz ATEAKYXKHIEPLC-UHFFFAOYSA-N 0 3 283.759 2.386 20 5 CEBDHN C[C@H](CN1CCCCC1)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401228018 344867746 /nfs/dbraw/zinc/86/77/46/344867746.db2.gz YUERJGCYRIMOMJ-SNVBAGLBSA-N 0 3 282.319 2.415 20 5 CEBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccncc1[N+](=O)[O-] ZINC000588071893 345037538 /nfs/dbraw/zinc/03/75/38/345037538.db2.gz NJIXMNMFUCIGPC-NWDGAFQWSA-N 0 3 276.340 2.053 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(CC2CC2)C1 ZINC000588817906 345056071 /nfs/dbraw/zinc/05/60/71/345056071.db2.gz DHGXQBBMRZAMPS-GFCCVEGCSA-N 0 3 293.371 2.016 20 5 CEBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000590751307 345173645 /nfs/dbraw/zinc/17/36/45/345173645.db2.gz OKQMGUYKVNBWJX-NEPJUHHUSA-N 0 3 278.308 2.026 20 5 CEBDHN Cc1c([C@@H](C)NC[C@H]2CCCNC2=O)cccc1[N+](=O)[O-] ZINC000591243927 345233928 /nfs/dbraw/zinc/23/39/28/345233928.db2.gz XMNDYJSINDKEFD-VXGBXAGGSA-N 0 3 291.351 2.080 20 5 CEBDHN O=[N+]([O-])c1cnc(NCCN2CCCCCC2)c(F)c1 ZINC000591138779 345223698 /nfs/dbraw/zinc/22/36/98/345223698.db2.gz QLCBZDGEDPMRKO-UHFFFAOYSA-N 0 3 282.319 2.417 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCC[C@@H]1CCOC1)CC2 ZINC000592097771 345321316 /nfs/dbraw/zinc/32/13/16/345321316.db2.gz KREVEDXPQGBYPK-GFCCVEGCSA-N 0 3 291.351 2.165 20 5 CEBDHN CC[C@H](C)C[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592374395 345346810 /nfs/dbraw/zinc/34/68/10/345346810.db2.gz DTJSUWNEFWYGCG-WCQYABFASA-N 0 3 296.367 2.490 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)CCO ZINC000593694738 345523110 /nfs/dbraw/zinc/52/31/10/345523110.db2.gz RBTGXXJYXGXGSQ-LLVKDONJSA-N 0 3 252.314 2.106 20 5 CEBDHN CN(CCN1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000593884608 345548218 /nfs/dbraw/zinc/54/82/18/345548218.db2.gz TYUWYEWJTGVDKV-UHFFFAOYSA-N 0 3 291.351 2.153 20 5 CEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000059035239 362645653 /nfs/dbraw/zinc/64/56/53/362645653.db2.gz PPEGOUDLZCMTKM-UHFFFAOYSA-N 0 3 253.277 2.240 20 5 CEBDHN C[C@H](N[C@@H](C)C1(CO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595069917 345739548 /nfs/dbraw/zinc/73/95/48/345739548.db2.gz TVDXAZLKZLOOTJ-QWRGUYRKSA-N 0 3 264.325 2.406 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCO[C@H]2CC2(F)F)c1 ZINC000594970795 345719677 /nfs/dbraw/zinc/71/96/77/345719677.db2.gz NICCYKCTDYEKEV-NSHDSACASA-N 0 3 272.251 2.109 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)N(C)C ZINC000595012073 345726987 /nfs/dbraw/zinc/72/69/87/345726987.db2.gz NDBFUOSPMSIVEJ-GHMZBOCLSA-N 0 3 281.356 2.204 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CCO)CC1 ZINC000595032050 345731586 /nfs/dbraw/zinc/73/15/86/345731586.db2.gz GJQWBLCZJGCKFH-LLVKDONJSA-N 0 3 294.351 2.417 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595443488 345783960 /nfs/dbraw/zinc/78/39/60/345783960.db2.gz ATJZIINVYMXYEO-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN C[C@@]12COC[C@]1(C)CN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000595689305 345849885 /nfs/dbraw/zinc/84/98/85/345849885.db2.gz PBSHTIPPJHTZAU-GASCZTMLSA-N 0 3 276.336 2.453 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595847573 345898026 /nfs/dbraw/zinc/89/80/26/345898026.db2.gz HJAFRTKDIDMKDD-BETUJISGSA-N 0 3 292.335 2.287 20 5 CEBDHN COC(=O)[C@H]1C[C@@H](N(C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595848022 345898105 /nfs/dbraw/zinc/89/81/05/345898105.db2.gz KTWOQJZOZGVQCH-XBXGTLAGSA-N 0 3 292.335 2.021 20 5 CEBDHN Cc1cccc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000596086608 345936548 /nfs/dbraw/zinc/93/65/48/345936548.db2.gz UALYTILFHQOUSJ-UHFFFAOYSA-N 0 3 293.367 2.162 20 5 CEBDHN O=[N+]([O-])c1cc(F)ccc1NCCN1CCCC1 ZINC000060847467 362669930 /nfs/dbraw/zinc/66/99/30/362669930.db2.gz CVUIJEHSYPXDDH-UHFFFAOYSA-N 0 3 253.277 2.242 20 5 CEBDHN Cc1c(CN2CC[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598645923 346391440 /nfs/dbraw/zinc/39/14/40/346391440.db2.gz QKGVQDSEPDVHND-FZMZJTMJSA-N 0 3 278.352 2.354 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000599008170 346445613 /nfs/dbraw/zinc/44/56/13/346445613.db2.gz VKFJOUJQFXVXAS-DKTWLAJQSA-N 0 3 270.716 2.109 20 5 CEBDHN CCO[C@@]1(C)C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000598996330 346443954 /nfs/dbraw/zinc/44/39/54/346443954.db2.gz GJADOTGOXSXCQH-OLZOCXBDSA-N 0 3 250.298 2.252 20 5 CEBDHN CC[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599178484 346473785 /nfs/dbraw/zinc/47/37/85/346473785.db2.gz HMXBQRNJJYZSKG-DTWKUNHWSA-N 0 3 284.747 2.220 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCSCC2)c1 ZINC000129023279 365819401 /nfs/dbraw/zinc/81/94/01/365819401.db2.gz FDERTXCRLKDRQZ-CYBMUJFWSA-N 0 3 282.365 2.067 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](N2CCCCC2)C1 ZINC000601116373 346756988 /nfs/dbraw/zinc/75/69/88/346756988.db2.gz RYNGXHJTRAARQX-LBPRGKRZSA-N 0 3 294.330 2.194 20 5 CEBDHN CC[C@@H]1CN(C)CCCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000601189570 346781526 /nfs/dbraw/zinc/78/15/26/346781526.db2.gz SHDWCGDDCQIDDT-GFCCVEGCSA-N 0 3 278.356 2.219 20 5 CEBDHN C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000336814624 365856846 /nfs/dbraw/zinc/85/68/46/365856846.db2.gz XPYWANCBCZLWIA-MWLCHTKSSA-N 0 3 268.288 2.391 20 5 CEBDHN O=[N+]([O-])c1cc(F)cnc1NC1CCN(C2CC2)CC1 ZINC000601101758 346753631 /nfs/dbraw/zinc/75/36/31/346753631.db2.gz SHCKEGAGQUMNOB-UHFFFAOYSA-N 0 3 280.303 2.168 20 5 CEBDHN CC[C@](C)(CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602637702 347117031 /nfs/dbraw/zinc/11/70/31/347117031.db2.gz PFDWBUZZDKTIRT-CQSZACIVSA-N 0 3 292.339 2.376 20 5 CEBDHN CC[C@H]1CC[C@@H](C)N1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602801121 347205167 /nfs/dbraw/zinc/20/51/67/347205167.db2.gz ZZVMGRRNCHCMGV-KOLCDFICSA-N 0 3 252.318 2.091 20 5 CEBDHN C[C@@H]1CC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810781 347208930 /nfs/dbraw/zinc/20/89/30/347208930.db2.gz JCRMVAHKEQNNEQ-CKYFFXLPSA-N 0 3 266.345 2.243 20 5 CEBDHN CC(C)C[C@H]1OCCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602814426 347211182 /nfs/dbraw/zinc/21/11/82/347211182.db2.gz ARDHKQNBTPQUGJ-QWHCGFSZSA-N 0 3 296.371 2.012 20 5 CEBDHN CCC[C@@H](CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1)OC ZINC000602732116 347175878 /nfs/dbraw/zinc/17/58/78/347175878.db2.gz OGRDKDQNXDLJMS-LSDHHAIUSA-N 0 3 296.367 2.207 20 5 CEBDHN C[C@H]1OCC[C@@H]1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000602761002 347187807 /nfs/dbraw/zinc/18/78/07/347187807.db2.gz SSIFYDFOFOMEGM-VXGBXAGGSA-N 0 3 264.325 2.452 20 5 CEBDHN CCS[C@@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602832693 347217358 /nfs/dbraw/zinc/21/73/58/347217358.db2.gz VRCLHMJNQBMAMB-WDEREUQCSA-N 0 3 284.385 2.092 20 5 CEBDHN CC(C)[C@@H](N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000603185820 347303419 /nfs/dbraw/zinc/30/34/19/347303419.db2.gz NZTKMMVXZZHPGD-QMTHXVAHSA-N 0 3 289.339 2.451 20 5 CEBDHN O=[N+]([O-])c1ncccc1NC1CCN(C2CC2)CC1 ZINC000603845312 347391479 /nfs/dbraw/zinc/39/14/79/347391479.db2.gz YEASXPKAJGIVFZ-UHFFFAOYSA-N 0 3 262.313 2.029 20 5 CEBDHN C[C@@H]1CCCN(CCNc2cccnc2[N+](=O)[O-])C1 ZINC000603858026 347392622 /nfs/dbraw/zinc/39/26/22/347392622.db2.gz AEPOIWRZCMRHMK-LLVKDONJSA-N 0 3 264.329 2.134 20 5 CEBDHN COCCN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000604441891 347415981 /nfs/dbraw/zinc/41/59/81/347415981.db2.gz UCDQCWBSLJXQNQ-UHFFFAOYSA-N 0 3 285.369 2.179 20 5 CEBDHN CCN1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609513187 347641495 /nfs/dbraw/zinc/64/14/95/347641495.db2.gz JKJAYSIMOBDHNH-LLVKDONJSA-N 0 3 264.329 2.276 20 5 CEBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609833626 347652397 /nfs/dbraw/zinc/65/23/97/347652397.db2.gz PYMKHJLOPBZUHZ-ZDUSSCGKSA-N 0 3 291.351 2.199 20 5 CEBDHN O=[N+]([O-])c1cccc(OCCN2C[C@H]3CCC[C@H]32)c1 ZINC000610585340 347694073 /nfs/dbraw/zinc/69/40/73/347694073.db2.gz LFFZYBJBAOJSFG-BXUZGUMPSA-N 0 3 262.309 2.458 20 5 CEBDHN O=C(CCN1C[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000610585531 347694150 /nfs/dbraw/zinc/69/41/50/347694150.db2.gz RXSYHIDMXCIJKF-YPMHNXCESA-N 0 3 289.335 2.408 20 5 CEBDHN Cc1c(CN2C[C@@H](C)N(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000351952127 219262760 /nfs/dbraw/zinc/26/27/60/219262760.db2.gz RCRJLLUFIVRNPP-NEPJUHHUSA-N 0 3 277.368 2.428 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCCCC2)n1 ZINC000128912397 187398665 /nfs/dbraw/zinc/39/86/65/187398665.db2.gz JCNHEJDLYBKDFG-UHFFFAOYSA-N 0 3 264.329 2.196 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)Cn1cccn1 ZINC000273477715 192167216 /nfs/dbraw/zinc/16/72/16/192167216.db2.gz RVPYLXFHXLWAIR-LBPRGKRZSA-N 0 3 274.324 2.278 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)Cn1cccn1 ZINC000273477713 192167574 /nfs/dbraw/zinc/16/75/74/192167574.db2.gz RVPYLXFHXLWAIR-GFCCVEGCSA-N 0 3 274.324 2.278 20 5 CEBDHN Cc1c(CN2C[C@@H](C)N(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000339622043 215274003 /nfs/dbraw/zinc/27/40/03/215274003.db2.gz MBUZFFDTAYJLOE-VXGBXAGGSA-N 0 3 277.368 2.428 20 5 CEBDHN COC1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000090651074 180017995 /nfs/dbraw/zinc/01/79/95/180017995.db2.gz KHNGMLJWOYZMSJ-LBPRGKRZSA-N 0 3 294.351 2.441 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN1CC ZINC000091558039 180190806 /nfs/dbraw/zinc/19/08/06/180190806.db2.gz DIGBHRPBFGAYRB-NSHDSACASA-N 0 3 281.360 2.016 20 5 CEBDHN COCC[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000106468840 186119681 /nfs/dbraw/zinc/11/96/81/186119681.db2.gz HEAWLDGRMFOPCG-JTQLQIEISA-N 0 3 268.313 2.118 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCCOC1 ZINC000107687769 186186273 /nfs/dbraw/zinc/18/62/73/186186273.db2.gz KIEXZMUULBLKSF-LBPRGKRZSA-N 0 3 294.351 2.462 20 5 CEBDHN CC(=O)c1ccc(NC[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000291753982 198081043 /nfs/dbraw/zinc/08/10/43/198081043.db2.gz FZCDGFFPZQZYNC-JTQLQIEISA-N 0 3 279.340 2.407 20 5 CEBDHN CO[C@]1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000123237057 187079685 /nfs/dbraw/zinc/07/96/85/187079685.db2.gz KMHRWUSBEHDOBJ-RISCZKNCSA-N 0 3 280.324 2.051 20 5 CEBDHN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291984808 198125839 /nfs/dbraw/zinc/12/58/39/198125839.db2.gz WMGJZQYKEBUVTI-AWEZNQCLSA-N 0 3 294.351 2.473 20 5 CEBDHN CCOc1ccc([C@@H](C)NCC(C)(C)O)cc1[N+](=O)[O-] ZINC000153716114 188098742 /nfs/dbraw/zinc/09/87/42/188098742.db2.gz CPCUBTSTBRFROJ-SNVBAGLBSA-N 0 3 282.340 2.415 20 5 CEBDHN C[C@@H](Cn1ccnc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569743052 299216630 /nfs/dbraw/zinc/21/66/30/299216630.db2.gz FNJKJTHCRVLLFE-FZMZJTMJSA-N 0 3 286.335 2.457 20 5 CEBDHN CCC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341606148 216031425 /nfs/dbraw/zinc/03/14/25/216031425.db2.gz ALENVJYJKQTUMP-UHFFFAOYSA-N 0 3 293.367 2.269 20 5 CEBDHN CN1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148504922 366583300 /nfs/dbraw/zinc/58/33/00/366583300.db2.gz RGFZNEQDUWXOMA-VIFPVBQESA-N 0 3 284.747 2.397 20 5 CEBDHN Cc1cc(C(=O)N(CCN(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000151895810 366674385 /nfs/dbraw/zinc/67/43/85/366674385.db2.gz XLBIKZKZJASACY-UHFFFAOYSA-N 0 3 293.367 2.315 20 5 CEBDHN COC(=O)[C@@]1(C)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177447879 189052484 /nfs/dbraw/zinc/05/24/84/189052484.db2.gz ZFLOQYMSLCOMDA-HNNXBMFYSA-N 0 3 292.335 2.022 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC[C@H]1O ZINC000571514063 299312653 /nfs/dbraw/zinc/31/26/53/299312653.db2.gz XEIMUJDFZPKXQH-LERXQTSPSA-N 0 3 264.325 2.467 20 5 CEBDHN CCNC(=O)C(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000453600971 283604071 /nfs/dbraw/zinc/60/40/71/283604071.db2.gz FUTRRZYRDIVIRA-VQHVLOKHSA-N 0 3 291.351 2.112 20 5 CEBDHN CC(C)OC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180414377 189254292 /nfs/dbraw/zinc/25/42/92/189254292.db2.gz MVKFXZOLEDGEBX-BXUZGUMPSA-N 0 3 282.340 2.031 20 5 CEBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301204039 200936803 /nfs/dbraw/zinc/93/68/03/200936803.db2.gz QUHVAKPXTNRPBN-UHFFFAOYSA-N 0 3 294.311 2.035 20 5 CEBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000579909415 366719904 /nfs/dbraw/zinc/71/99/04/366719904.db2.gz BCXWLLQVNBCVDH-CYBMUJFWSA-N 0 3 282.340 2.364 20 5 CEBDHN COc1cc(C[NH2+][C@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1[O-] ZINC000342299233 216299314 /nfs/dbraw/zinc/29/93/14/216299314.db2.gz LKYBPSUQJGYYSQ-UWVGGRQHSA-N 0 3 284.287 2.289 20 5 CEBDHN CCCN(CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183235186 189351293 /nfs/dbraw/zinc/35/12/93/189351293.db2.gz SLAGCSZFROIEDH-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@](C)(O)C1 ZINC000183361681 189356631 /nfs/dbraw/zinc/35/66/31/189356631.db2.gz ZRMCZIWFEOJNSV-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000084061729 363795079 /nfs/dbraw/zinc/79/50/79/363795079.db2.gz KQMFSVCZSYHIHA-AAEUAGOBSA-N 0 3 291.351 2.175 20 5 CEBDHN CCC(CC)[C@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000111404588 364735354 /nfs/dbraw/zinc/73/53/54/364735354.db2.gz QFVKZEVATQUMSV-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[C@@H]1C ZINC000159197681 366888141 /nfs/dbraw/zinc/88/81/41/366888141.db2.gz AHAUPRFDQWNRIJ-VHSXEESVSA-N 0 3 250.298 2.349 20 5 CEBDHN Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000340584926 366945096 /nfs/dbraw/zinc/94/50/96/366945096.db2.gz WCFJIZZEVWSBGK-CYBMUJFWSA-N 0 3 291.351 2.069 20 5 CEBDHN CC(C)[C@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162034319 367131384 /nfs/dbraw/zinc/13/13/84/367131384.db2.gz LUCKLKYJGBGPGM-NSHDSACASA-N 0 3 293.323 2.233 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(C)C2)n1 ZINC000162614320 367173743 /nfs/dbraw/zinc/17/37/43/367173743.db2.gz YFOPXYJQSAYTGJ-LLVKDONJSA-N 0 3 264.329 2.052 20 5 CEBDHN Cc1nn(C)c(NCCN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341135965 367189294 /nfs/dbraw/zinc/18/92/94/367189294.db2.gz ZDBGPNNTOAUCRN-PHIMTYICSA-N 0 3 295.387 2.312 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000163247839 367227839 /nfs/dbraw/zinc/22/78/39/367227839.db2.gz GMRXVFCFTLXYLT-CMPLNLGQSA-N 0 3 250.298 2.109 20 5 CEBDHN CC(C)[C@H](O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168128871 367346880 /nfs/dbraw/zinc/34/68/80/367346880.db2.gz ZCIHXILBZXAQDJ-GFCCVEGCSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512538 367355232 /nfs/dbraw/zinc/35/52/32/367355232.db2.gz BCTSYEQMDGZFFD-LXIMFEHMSA-N 0 3 270.354 2.012 20 5 CEBDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000168512719 367355752 /nfs/dbraw/zinc/35/57/52/367355752.db2.gz BCTSYEQMDGZFFD-RAALSFIWSA-N 0 3 270.354 2.012 20 5 CEBDHN C[C@H](N[C@H]1CN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000358009149 370868974 /nfs/dbraw/zinc/86/89/74/370868974.db2.gz CCCMGOBMTSEDBQ-SUNKGSAMSA-N 0 3 263.341 2.196 20 5 CEBDHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000184736766 368715520 /nfs/dbraw/zinc/71/55/20/368715520.db2.gz FKQDPUFOMOYMID-WDEREUQCSA-N 0 3 280.324 2.272 20 5 CEBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000188171145 369311484 /nfs/dbraw/zinc/31/14/84/369311484.db2.gz YMKWSRMJNDENIX-HNNXBMFYSA-N 0 3 294.351 2.126 20 5 CEBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000330897385 203365258 /nfs/dbraw/zinc/36/52/58/203365258.db2.gz HMDBPGPLQRMIMN-VXGBXAGGSA-N 0 3 291.351 2.084 20 5 CEBDHN CCOC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541416 369778699 /nfs/dbraw/zinc/77/86/99/369778699.db2.gz XMSUEMFVIOIFGI-CYBMUJFWSA-N 0 3 294.351 2.462 20 5 CEBDHN CCN1CCC[C@@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194625657 370058586 /nfs/dbraw/zinc/05/85/86/370058586.db2.gz FGOFHCNTRXTQMK-CYBMUJFWSA-N 0 3 291.351 2.117 20 5 CEBDHN C[C@@H](N[C@@H](CO)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360805629 296153632 /nfs/dbraw/zinc/15/36/32/296153632.db2.gz JQIXTIVECOKMID-ABAIWWIYSA-N 0 3 294.351 2.033 20 5 CEBDHN CN1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000221258299 370239401 /nfs/dbraw/zinc/23/94/01/370239401.db2.gz IJUGBFVGLGACHZ-SNVBAGLBSA-N 0 3 253.277 2.240 20 5 CEBDHN CN1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889838 370388075 /nfs/dbraw/zinc/38/80/75/370388075.db2.gz JHJQHAIWZZOSDP-MRVPVSSYSA-N 0 3 271.267 2.237 20 5 CEBDHN Cc1c(CN2CC[C@@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000229913928 370433305 /nfs/dbraw/zinc/43/33/05/370433305.db2.gz NEHFVPVXXSDCMD-IINYFYTJSA-N 0 3 264.325 2.106 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CCO)C(C)C ZINC000231041046 370474071 /nfs/dbraw/zinc/47/40/71/370474071.db2.gz JVVRDNVXGHRULK-ZDUSSCGKSA-N 0 3 282.340 2.100 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC2CCC2)c(F)c1 ZINC000355486992 370572086 /nfs/dbraw/zinc/57/20/86/370572086.db2.gz VILCPLCHYRVIGV-GFCCVEGCSA-N 0 3 282.315 2.375 20 5 CEBDHN C[C@H](CO[C@H]1CCOC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247047891 371054268 /nfs/dbraw/zinc/05/42/68/371054268.db2.gz MAAJAZWLRHNHRD-JMSVASOKSA-N 0 3 294.351 2.439 20 5 CEBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000248889005 371264463 /nfs/dbraw/zinc/26/44/63/371264463.db2.gz APCZWYPXOZXHMV-GNXNZQSNSA-N 0 3 264.325 2.329 20 5 CEBDHN CCN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000361592770 371961738 /nfs/dbraw/zinc/96/17/38/371961738.db2.gz WRDDJQSRXAPVCL-AWEZNQCLSA-N 0 3 264.325 2.248 20 5 CEBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361597566 371965821 /nfs/dbraw/zinc/96/58/21/371965821.db2.gz ZGOHIDQFBQAEQW-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000362732875 372506744 /nfs/dbraw/zinc/50/67/44/372506744.db2.gz IDNHIMUKGSOSMH-NEPJUHHUSA-N 0 3 291.351 2.116 20 5 CEBDHN C[C@@H]1CCC[C@H](CO)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000269729985 372550014 /nfs/dbraw/zinc/55/00/14/372550014.db2.gz XMMMYLUMMSJDNP-BXUZGUMPSA-N 0 3 264.325 2.330 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000270085219 372659173 /nfs/dbraw/zinc/65/91/73/372659173.db2.gz JPIBZGMVEDQPLM-WFASDCNBSA-N 0 3 294.351 2.066 20 5 CEBDHN COc1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000270170651 372687656 /nfs/dbraw/zinc/68/76/56/372687656.db2.gz UHVCLXQWJZVKEU-GXTWGEPZSA-N 0 3 294.351 2.196 20 5 CEBDHN CCOc1ccc([C@@H](C)NCCCO)cc1[N+](=O)[O-] ZINC000271061910 373099772 /nfs/dbraw/zinc/09/97/72/373099772.db2.gz CFWSTIHXSNLXEV-SNVBAGLBSA-N 0 3 268.313 2.027 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([S@@](C)=O)CC1 ZINC000573666326 299449823 /nfs/dbraw/zinc/44/98/23/299449823.db2.gz LTCVUQOXJCQJHE-BIBXISHDSA-N 0 3 296.392 2.465 20 5 CEBDHN CCOc1cc(CN(CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000276974463 374365643 /nfs/dbraw/zinc/36/56/43/374365643.db2.gz XJIBKDYYCFTKBV-UHFFFAOYSA-N 0 3 282.340 2.196 20 5 CEBDHN Cc1ccc(CN[C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374541725 374595264 /nfs/dbraw/zinc/59/52/64/374595264.db2.gz PNXSECSAZSXYOF-ZDUSSCGKSA-N 0 3 286.335 2.273 20 5 CEBDHN C[C@H]1COCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000277631154 374585508 /nfs/dbraw/zinc/58/55/08/374585508.db2.gz YYZUNGBFPKIWTC-GXSJLCMTSA-N 0 3 291.307 2.251 20 5 CEBDHN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCN(C)C ZINC000277892123 374677408 /nfs/dbraw/zinc/67/74/08/374677408.db2.gz DMWPHJWSJGBSDP-UHFFFAOYSA-N 0 3 299.758 2.190 20 5 CEBDHN C[C@@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1cccc([N+](=O)[O-])c1 ZINC000253148762 189985617 /nfs/dbraw/zinc/98/56/17/189985617.db2.gz BDXRYBJYZSDKDK-JTNHKYCSSA-N 0 3 291.351 2.160 20 5 CEBDHN CO[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282386176 375471883 /nfs/dbraw/zinc/47/18/83/375471883.db2.gz ORJKKPQPAZYFOG-NILFDRSVSA-N 0 3 294.351 2.128 20 5 CEBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCC(C)(C)O ZINC000282415243 375478722 /nfs/dbraw/zinc/47/87/22/375478722.db2.gz IWILMDDJFVJSQZ-UHFFFAOYSA-N 0 3 266.341 2.230 20 5 CEBDHN C[C@H]1CCCN(CCNc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283435410 375707844 /nfs/dbraw/zinc/70/78/44/375707844.db2.gz CPNLQKVRMLNDPM-NSHDSACASA-N 0 3 278.356 2.321 20 5 CEBDHN CC[C@H](C)[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284162580 375819913 /nfs/dbraw/zinc/81/99/13/375819913.db2.gz PWWSYMJRWZXFDH-RBZYPMLTSA-N 0 3 281.356 2.235 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414535664 375841263 /nfs/dbraw/zinc/84/12/63/375841263.db2.gz WQKDHPJUEXPQBC-KBPBESRZSA-N 0 3 266.341 2.480 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H](CO)C2)c(F)c1 ZINC000414577678 375866950 /nfs/dbraw/zinc/86/69/50/375866950.db2.gz OZEFFZJPJNPQKJ-CMPLNLGQSA-N 0 3 282.315 2.375 20 5 CEBDHN Cc1c(NC(=O)N2C[C@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000414715258 375937345 /nfs/dbraw/zinc/93/73/45/375937345.db2.gz WFXPRDCSRYTIFN-VHSXEESVSA-N 0 3 292.339 2.117 20 5 CEBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000263771468 190078128 /nfs/dbraw/zinc/07/81/28/190078128.db2.gz WOYNJFZJMOAUSP-LLVKDONJSA-N 0 3 250.298 2.315 20 5 CEBDHN COc1cc(CN2CCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305844989 376519223 /nfs/dbraw/zinc/51/92/23/376519223.db2.gz SGJAOCUDUMZAHQ-YPMHNXCESA-N 0 3 294.351 2.339 20 5 CEBDHN C[C@H]1CCC[C@H](CO)N1CCOc1ccc([N+](=O)[O-])cc1 ZINC000305887408 376531014 /nfs/dbraw/zinc/53/10/14/376531014.db2.gz YWAWHLVEDVELDU-GXTWGEPZSA-N 0 3 294.351 2.209 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CCCO1 ZINC000563638706 377271483 /nfs/dbraw/zinc/27/14/83/377271483.db2.gz SCDXNFCYGKKELG-GXFFZTMASA-N 0 3 262.309 2.351 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](CN(C)C)C1 ZINC000292942044 377364337 /nfs/dbraw/zinc/36/43/37/377364337.db2.gz BGSVXYINVCENHS-LBPRGKRZSA-N 0 3 291.351 2.185 20 5 CEBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](O)CC ZINC000313187066 249389287 /nfs/dbraw/zinc/38/92/87/249389287.db2.gz ZDDADNVCKWFSIZ-OLZOCXBDSA-N 0 3 270.304 2.373 20 5 CEBDHN COc1ccc(CN[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000293883010 377805402 /nfs/dbraw/zinc/80/54/02/377805402.db2.gz VNPKNVWSOQGEGX-CYBMUJFWSA-N 0 3 280.324 2.261 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC(C)(C)CO ZINC000294675218 378006961 /nfs/dbraw/zinc/00/69/61/378006961.db2.gz BFHBQIDKNASZLK-UHFFFAOYSA-N 0 3 296.367 2.492 20 5 CEBDHN CCOc1cc(CN[C@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000295733248 378281784 /nfs/dbraw/zinc/28/17/84/378281784.db2.gz MCMDHFOVLIPUJH-WDEREUQCSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000266104604 190230699 /nfs/dbraw/zinc/23/06/99/190230699.db2.gz ZOSRDKCPPNEKFC-UHFFFAOYSA-N 0 3 291.351 2.069 20 5 CEBDHN C[C@@H](O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000450458790 378429677 /nfs/dbraw/zinc/42/96/77/378429677.db2.gz JHFVNRWBHCPZCO-GFCCVEGCSA-N 0 3 294.351 2.209 20 5 CEBDHN COc1ccc(CN[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000296311024 378487639 /nfs/dbraw/zinc/48/76/39/378487639.db2.gz GPFQFPGRUMMALS-JFGNBEQYSA-N 0 3 280.324 2.259 20 5 CEBDHN COC[C@](C)(O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453268691 378849180 /nfs/dbraw/zinc/84/91/80/378849180.db2.gz ZXSOJJJGJYSBEV-IUODEOHRSA-N 0 3 296.367 2.341 20 5 CEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](O)C1 ZINC000347353723 218200897 /nfs/dbraw/zinc/20/08/97/218200897.db2.gz GUJJQKLOGHHHCJ-INDWDQIESA-N 0 3 276.336 2.455 20 5 CEBDHN CCC[C@@](C)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304261136 379539696 /nfs/dbraw/zinc/53/96/96/379539696.db2.gz TZLGZZZVQHXUGO-AWEZNQCLSA-N 0 3 282.340 2.244 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(N)=O)C1 ZINC000266936252 190291685 /nfs/dbraw/zinc/29/16/85/190291685.db2.gz OIZZDUWMKGVWNK-VXGBXAGGSA-N 0 3 291.351 2.243 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)N(C)C ZINC000267916442 190362952 /nfs/dbraw/zinc/36/29/52/190362952.db2.gz BQWBADFQOOZPDH-SNVBAGLBSA-N 0 3 294.355 2.283 20 5 CEBDHN COCCN1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268050392 190372427 /nfs/dbraw/zinc/37/24/27/190372427.db2.gz SIBZVMNOSVANAL-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000488758630 380134154 /nfs/dbraw/zinc/13/41/54/380134154.db2.gz APZGRFHYJLAACZ-HNNXBMFYSA-N 0 3 290.367 2.139 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CC[C@@H](CO)O1 ZINC000551226629 380638356 /nfs/dbraw/zinc/63/83/56/380638356.db2.gz HAKJAPDKVVFDRD-BNOWGMLFSA-N 0 3 294.351 2.094 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268882304 285115192 /nfs/dbraw/zinc/11/51/92/285115192.db2.gz YBPRTEKOKSLGCQ-CYBMUJFWSA-N 0 3 272.308 2.485 20 5 CEBDHN C[C@@H](NCC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157481761 533356811 /nfs/dbraw/zinc/35/68/11/533356811.db2.gz HDXLMQLGWALGBJ-LLVKDONJSA-N 0 3 264.325 2.408 20 5 CEBDHN CN(C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000263926152 131362513 /nfs/dbraw/zinc/36/25/13/131362513.db2.gz VYFDMYVUSJCWEY-CYBMUJFWSA-N 0 3 292.339 2.153 20 5 CEBDHN C[C@H](NC[C@H]1C[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000420951769 394452489 /nfs/dbraw/zinc/45/24/89/394452489.db2.gz UCDSQZPVKACMJU-GARJFASQSA-N 0 3 250.298 2.016 20 5 CEBDHN CCN1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264597821 394641324 /nfs/dbraw/zinc/64/13/24/394641324.db2.gz AKDCJVFYBYRLMI-UHFFFAOYSA-N 0 3 267.304 2.266 20 5 CEBDHN C[C@@H]1[C@H](C)N(Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000357047442 394692619 /nfs/dbraw/zinc/69/26/19/394692619.db2.gz WDIJGXLJYOBFGU-NEPJUHHUSA-N 0 3 263.341 2.119 20 5 CEBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000273363014 394787518 /nfs/dbraw/zinc/78/75/18/394787518.db2.gz WQFFZCHUIYMHOP-UHFFFAOYSA-N 0 3 289.257 2.364 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCC[C@@H](C)O ZINC000278774156 394834945 /nfs/dbraw/zinc/83/49/45/394834945.db2.gz YMAKPQSCSBDOEO-LLVKDONJSA-N 0 3 252.314 2.154 20 5 CEBDHN CN1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286305720 395019322 /nfs/dbraw/zinc/01/93/22/395019322.db2.gz YUUYTYYBVZAPCL-UHFFFAOYSA-N 0 3 293.352 2.106 20 5 CEBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])s1 ZINC000286335825 395020688 /nfs/dbraw/zinc/02/06/88/395020688.db2.gz LSRLQHPGIYIEBU-NXEZZACHSA-N 0 3 282.369 2.114 20 5 CEBDHN CCCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000367169286 394958486 /nfs/dbraw/zinc/95/84/86/394958486.db2.gz CPYLSQGACJYZSJ-UHFFFAOYSA-N 0 3 278.356 2.099 20 5 CEBDHN C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C ZINC000158444932 395045619 /nfs/dbraw/zinc/04/56/19/395045619.db2.gz AJDUYWNMGKAHSW-VHSXEESVSA-N 0 3 289.339 2.366 20 5 CEBDHN COC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000346692058 395104706 /nfs/dbraw/zinc/10/47/06/395104706.db2.gz XNQVOHIPMJHTLK-AAEUAGOBSA-N 0 3 292.335 2.287 20 5 CEBDHN C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408112961 395292275 /nfs/dbraw/zinc/29/22/75/395292275.db2.gz OYZFTNOMHVPLPB-NSHDSACASA-N 0 3 286.335 2.283 20 5 CEBDHN C[C@@H]1CCN(C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434960593 395340402 /nfs/dbraw/zinc/34/04/02/395340402.db2.gz VICRYCRITHJILI-SECBINFHSA-N 0 3 284.747 2.174 20 5 CEBDHN Cc1cc(CN(C)CCn2cc([N+](=O)[O-])cn2)ccc1F ZINC000444733718 395450709 /nfs/dbraw/zinc/45/07/09/395450709.db2.gz MFWLDCFFTOLTST-UHFFFAOYSA-N 0 3 292.314 2.371 20 5 CEBDHN CC[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451258088 395600331 /nfs/dbraw/zinc/60/03/31/395600331.db2.gz AFBVNWHALSESAE-OCCSQVGLSA-N 0 3 294.351 2.196 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)C(C)(C)O ZINC000451367275 395611133 /nfs/dbraw/zinc/61/11/33/395611133.db2.gz HWFMPFGWFFRFAJ-SNVBAGLBSA-N 0 3 282.340 2.195 20 5 CEBDHN CCCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000224944247 153327787 /nfs/dbraw/zinc/32/77/87/153327787.db2.gz JCGMTBUPSMFVLB-LLVKDONJSA-N 0 3 251.286 2.051 20 5 CEBDHN CCCC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000225871438 153330702 /nfs/dbraw/zinc/33/07/02/153330702.db2.gz BCUSXCDFTJLUGV-LBPRGKRZSA-N 0 3 279.340 2.037 20 5 CEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316609 153391603 /nfs/dbraw/zinc/39/16/03/153391603.db2.gz BTDIJVXDQGROHS-ZIAGYGMSSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@]12CCOC2 ZINC000367459134 156189725 /nfs/dbraw/zinc/18/97/25/156189725.db2.gz QVUJFOXXVWSNPX-OAHLLOKOSA-N 0 3 292.335 2.229 20 5 CEBDHN CC(C)OCCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375388715 157090085 /nfs/dbraw/zinc/09/00/85/157090085.db2.gz DRQNSHUVDBRMEF-CYBMUJFWSA-N 0 3 296.371 2.243 20 5 CEBDHN CC(C)[C@@H]1CN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000174699639 165115380 /nfs/dbraw/zinc/11/53/80/165115380.db2.gz XBIPOGHBJWZYKF-HNNXBMFYSA-N 0 3 277.368 2.367 20 5 CEBDHN CCS[C@@H]1CCCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174858391 165119337 /nfs/dbraw/zinc/11/93/37/165119337.db2.gz MGSNZRVPGAGKPT-CYBMUJFWSA-N 0 3 298.412 2.399 20 5 CEBDHN Cc1nccn1CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284291519 196022084 /nfs/dbraw/zinc/02/20/84/196022084.db2.gz XXKPNETZAKJNHF-JTQLQIEISA-N 0 3 289.339 2.033 20 5 CEBDHN C[C@@H](NCCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526178 171239000 /nfs/dbraw/zinc/23/90/00/171239000.db2.gz BGTGMXQWZZDMHL-GFCCVEGCSA-N 0 3 263.341 2.341 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000044500167 175185062 /nfs/dbraw/zinc/18/50/62/175185062.db2.gz FOBKUYOOYYISOV-NSHDSACASA-N 0 3 274.324 2.222 20 5 CEBDHN COCC(C)(C)NCc1cccc([N+](=O)[O-])c1C ZINC000076494197 177028764 /nfs/dbraw/zinc/02/87/64/177028764.db2.gz BTLRKPJFOANUAR-UHFFFAOYSA-N 0 3 252.314 2.418 20 5 CEBDHN COCCCN(C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000078372741 177335652 /nfs/dbraw/zinc/33/56/52/177335652.db2.gz FDONRWDDTWDYKZ-UHFFFAOYSA-N 0 3 285.319 2.114 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425357539 264069260 /nfs/dbraw/zinc/06/92/60/264069260.db2.gz PCSQSKKUODHWFV-GFCCVEGCSA-N 0 3 287.323 2.011 20 5 CEBDHN O=[N+]([O-])c1cccc(CNCCc2cccnc2)c1 ZINC000037502656 270225405 /nfs/dbraw/zinc/22/54/05/270225405.db2.gz BXKYQEROUDLPCN-UHFFFAOYSA-N 0 3 257.293 2.322 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@]1(C)CCO[C@@H]1C ZINC000430232996 271365420 /nfs/dbraw/zinc/36/54/20/271365420.db2.gz JBLMEGNQTDZPTG-YGRLFVJLSA-N 0 3 280.324 2.261 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ccccc3)C2)c1 ZINC000157842162 275042071 /nfs/dbraw/zinc/04/20/71/275042071.db2.gz PJWPXSABZSPNCR-CQSZACIVSA-N 0 3 286.335 2.281 20 5 CEBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cn1 ZINC000267507694 276234218 /nfs/dbraw/zinc/23/42/18/276234218.db2.gz AQRLAPNKPBNLCK-OLZOCXBDSA-N 0 3 290.367 2.361 20 5 CEBDHN C[C@@H]1CCC[C@H](C)[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330841055 278511006 /nfs/dbraw/zinc/51/10/06/278511006.db2.gz NHGVREJEXAREKT-IAZYJMLFSA-N 0 3 266.345 2.243 20 5 CEBDHN CCN(CC)CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272070214 279090591 /nfs/dbraw/zinc/09/05/91/279090591.db2.gz FFJXCYVETXEWAI-NSHDSACASA-N 0 3 279.340 2.114 20 5 CEBDHN C[C@H](N[C@@H](CO)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000411996091 279500596 /nfs/dbraw/zinc/50/05/96/279500596.db2.gz RIRKPWYDIGRTNG-SCRDCRAPSA-N 0 3 294.351 2.033 20 5 CEBDHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766522 279596478 /nfs/dbraw/zinc/59/64/78/279596478.db2.gz AMQSANDHXDDNSP-KWBADKCTSA-N 0 3 279.340 2.145 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316957 280364484 /nfs/dbraw/zinc/36/44/84/280364484.db2.gz MSRGEVWUYQATEE-UONOGXRCSA-N 0 3 262.309 2.252 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCC1CCOCC1)CC2 ZINC000432844446 281348087 /nfs/dbraw/zinc/34/80/87/281348087.db2.gz XRBMSGDJWLKGMR-UHFFFAOYSA-N 0 3 291.351 2.165 20 5 CEBDHN Cc1sc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457211922 289742574 /nfs/dbraw/zinc/74/25/74/289742574.db2.gz SDZALINUFLJHAJ-UHFFFAOYSA-N 0 3 285.369 2.035 20 5 CEBDHN CN1CC[C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])[C@@H]2C1 ZINC000272143830 290234162 /nfs/dbraw/zinc/23/41/62/290234162.db2.gz BWNXGLURUJKNEN-GXFFZTMASA-N 0 3 279.315 2.264 20 5 CEBDHN COc1cccc(N2CC[C@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000372189095 295306199 /nfs/dbraw/zinc/30/61/99/295306199.db2.gz VSUXYUPOXCXAEQ-DGCLKSJQSA-N 0 3 291.351 2.134 20 5 CEBDHN CCC[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569259231 313990071 /nfs/dbraw/zinc/99/00/71/313990071.db2.gz WRSJWSWFBWKROD-ZWNOBZJWSA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1cc(=O)n(CCN2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000578380227 314474967 /nfs/dbraw/zinc/47/49/67/314474967.db2.gz WVIYOYXAHLUIPX-VXGBXAGGSA-N 0 3 293.367 2.043 20 5 CEBDHN CCOc1cc(CN[C@H]2C[C@@H](O)C2(C)C)ccc1[N+](=O)[O-] ZINC000579138500 314554698 /nfs/dbraw/zinc/55/46/98/314554698.db2.gz SMTABLUKZHPGIA-UONOGXRCSA-N 0 3 294.351 2.243 20 5 CEBDHN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000387496381 321878644 /nfs/dbraw/zinc/87/86/44/321878644.db2.gz XBCQCDPMUQAYOU-ZYHUDNBSSA-N 0 3 252.314 2.152 20 5 CEBDHN C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000278650016 525271468 /nfs/dbraw/zinc/27/14/68/525271468.db2.gz JSBDAIVAYOVGRJ-ZJUUUORDSA-N 0 3 290.323 2.128 20 5 CEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000363451726 527387072 /nfs/dbraw/zinc/38/70/72/527387072.db2.gz WWONRQGRBGWIGS-KGLIPLIRSA-N 0 3 276.336 2.453 20 5 CEBDHN CCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892480021 625611616 /nfs/dbraw/zinc/61/16/16/625611616.db2.gz XNGKDINJEZKYOP-UHFFFAOYSA-N 0 3 254.286 2.199 20 5 CEBDHN Cc1nc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2s1 ZINC000813105094 623023455 /nfs/dbraw/zinc/02/34/55/623023455.db2.gz VPARGYMNUJSZED-SSDOTTSWSA-N 0 3 280.305 2.427 20 5 CEBDHN CS[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813107112 623027749 /nfs/dbraw/zinc/02/77/49/623027749.db2.gz JWDZLSVHDJQRNR-ONGXEEELSA-N 0 3 269.322 2.299 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000892875957 627825774 /nfs/dbraw/zinc/82/57/74/627825774.db2.gz LKLUBMCKFZEYPC-UWVGGRQHSA-N 0 3 292.339 2.036 20 5 CEBDHN CC(COC(=O)C[C@@H]1CCc2sccc2C1=O)[N+](=O)[O-] ZINC000893047787 627967785 /nfs/dbraw/zinc/96/77/85/627967785.db2.gz ONZSXHOOOVKYPS-BDAKNGLRSA-N 0 3 297.332 2.092 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCCS2)c1[N+](=O)[O-] ZINC000893110018 628010537 /nfs/dbraw/zinc/01/05/37/628010537.db2.gz FEFZGVRPOUURQI-SNVBAGLBSA-N 0 3 298.364 2.294 20 5 CEBDHN O=[N+]([O-])CCN[C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000930964721 628320839 /nfs/dbraw/zinc/32/08/39/628320839.db2.gz HDMWDLFDUHQXHU-CQSZACIVSA-N 0 3 298.770 2.298 20 5 CEBDHN CN1C[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941115 629055785 /nfs/dbraw/zinc/05/57/85/629055785.db2.gz QTLGBMLPDRNZNX-TVQRCGJNSA-N 0 3 281.743 2.389 20 5 CEBDHN CN(CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000047252639 629153947 /nfs/dbraw/zinc/15/39/47/629153947.db2.gz JARMOSRCCRQCHE-UHFFFAOYSA-N 0 3 260.297 2.244 20 5 CEBDHN CCC[C@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894663937 629578637 /nfs/dbraw/zinc/57/86/37/629578637.db2.gz OVANBEKNEGZGKR-LLVKDONJSA-N 0 3 298.339 2.214 20 5 CEBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928430737 629588298 /nfs/dbraw/zinc/58/82/98/629588298.db2.gz ITYGFTZWIIJFKB-DGCLKSJQSA-N 0 3 291.351 2.034 20 5 CEBDHN CC[C@H]1CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795647194 629641543 /nfs/dbraw/zinc/64/15/43/629641543.db2.gz BRFHKNIHRVAPSV-WCQYABFASA-N 0 3 250.298 2.113 20 5 CEBDHN CN(CCC(=O)C1CC1)CCc1ccccc1[N+](=O)[O-] ZINC000796110938 629775346 /nfs/dbraw/zinc/77/53/46/629775346.db2.gz DGMDCUSLVKYOFA-UHFFFAOYSA-N 0 3 276.336 2.438 20 5 CEBDHN CN1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C(C)(C)C ZINC000895102079 629899626 /nfs/dbraw/zinc/89/96/26/629899626.db2.gz TUJXBUCJFMYDOY-GFCCVEGCSA-N 0 3 278.356 2.156 20 5 CEBDHN COc1c([O-])ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000895434062 630183190 /nfs/dbraw/zinc/18/31/90/630183190.db2.gz OOQQOIJCVIQWKN-IAZYJMLFSA-N 0 3 278.308 2.197 20 5 CEBDHN C[C@H](NCCC(=O)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526181 630693459 /nfs/dbraw/zinc/69/34/59/630693459.db2.gz OVMNUXKVFBBBRP-LBPRGKRZSA-N 0 3 291.351 2.258 20 5 CEBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NCCN(C)C1CC1 ZINC000807936366 631890212 /nfs/dbraw/zinc/89/02/12/631890212.db2.gz MCCABWAGLLWZPI-UHFFFAOYSA-N 0 3 277.324 2.304 20 5 CEBDHN CC(C)C(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000808754542 632013881 /nfs/dbraw/zinc/01/38/81/632013881.db2.gz STOGPBPRPWRBHN-UHFFFAOYSA-N 0 3 294.355 2.043 20 5 CEBDHN CC(COC(=O)Cc1cccc(Cl)c1F)[N+](=O)[O-] ZINC000813102725 632621651 /nfs/dbraw/zinc/62/16/51/632621651.db2.gz JOVMSRUKMXZJAF-ZETCQYMHSA-N 0 3 275.663 2.230 20 5 CEBDHN CSc1ccc(O[C@H](C)C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813102896 632621761 /nfs/dbraw/zinc/62/17/61/632621761.db2.gz LBOYWAHJYMTISD-VHSXEESVSA-N 0 3 299.348 2.384 20 5 CEBDHN CC(COC(=O)C(C)(C)Cc1ccccc1)[N+](=O)[O-] ZINC000813104813 632622371 /nfs/dbraw/zinc/62/23/71/632622371.db2.gz RXVKFOAIEGDMGC-LLVKDONJSA-N 0 3 265.309 2.464 20 5 CEBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c(-c2ccccc2)o1 ZINC000813105549 632623852 /nfs/dbraw/zinc/62/38/52/632623852.db2.gz OIJAWIWVSUSEOZ-SECBINFHSA-N 0 3 290.275 2.472 20 5 CEBDHN CC(COC(=O)c1cnc(C(C)(C)C)s1)[N+](=O)[O-] ZINC000813107429 632624742 /nfs/dbraw/zinc/62/47/42/632624742.db2.gz NGQGPQNZHRJUAA-SSDOTTSWSA-N 0 3 272.326 2.263 20 5 CEBDHN CC(COC(=O)[C@@H](C)c1ccccc1F)[N+](=O)[O-] ZINC000813108435 632625229 /nfs/dbraw/zinc/62/52/29/632625229.db2.gz YLYHFBOCRMTCOE-BDAKNGLRSA-N 0 3 255.245 2.138 20 5 CEBDHN CC(COC(=O)C1(c2cccc(F)c2)CCC1)[N+](=O)[O-] ZINC000813109720 632626685 /nfs/dbraw/zinc/62/66/85/632626685.db2.gz OHEAKELNELAYFJ-JTQLQIEISA-N 0 3 281.283 2.456 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCC[C@H]2F)c1 ZINC000819369802 634159427 /nfs/dbraw/zinc/15/94/27/634159427.db2.gz NSWBOMBQKABWQZ-MGPQQGTHSA-N 0 3 282.315 2.499 20 5 CEBDHN COc1cc([C@@H](C)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000903056190 634948193 /nfs/dbraw/zinc/94/81/93/634948193.db2.gz RIOYOQFVTLXCHI-MFKMUULPSA-N 0 3 280.324 2.433 20 5 CEBDHN COc1cc([C@@H](C)N[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC000903128499 634983988 /nfs/dbraw/zinc/98/39/88/634983988.db2.gz ZSTFNICZSNQABW-MWLCHTKSSA-N 0 3 266.297 2.043 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2cccc(Cl)c2)CC1 ZINC000905131605 635837764 /nfs/dbraw/zinc/83/77/64/635837764.db2.gz BTZINPGZSMGPOC-UHFFFAOYSA-N 0 3 254.717 2.238 20 5 CEBDHN O=[N+]([O-])CCNCC1(Cc2ccc(F)cc2)CC1 ZINC000905197142 635868730 /nfs/dbraw/zinc/86/87/30/635868730.db2.gz VKGBLDORYSSLSK-UHFFFAOYSA-N 0 3 252.289 2.015 20 5 CEBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H]2C2CC2)c1 ZINC000834383596 637807892 /nfs/dbraw/zinc/80/78/92/637807892.db2.gz UZYAXJWCZMVARS-KBPBESRZSA-N 0 3 262.309 2.113 20 5 CEBDHN CC(COC(=O)c1cc2cccnc2s1)[N+](=O)[O-] ZINC000835454522 638262433 /nfs/dbraw/zinc/26/24/33/638262433.db2.gz KGVWXVAYOWQUBO-SSDOTTSWSA-N 0 3 266.278 2.118 20 5 CEBDHN Cn1ccc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000227229317 639578145 /nfs/dbraw/zinc/57/81/45/639578145.db2.gz SETFYFGAKLTFOD-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN COc1ccccc1[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000842363395 640029119 /nfs/dbraw/zinc/02/91/19/640029119.db2.gz HNDIWWNTNQOISI-ADEWGFFLSA-N 0 3 279.292 2.007 20 5 CEBDHN CC(=O)CCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881991 641117240 /nfs/dbraw/zinc/11/72/40/641117240.db2.gz NFAPNWCDLGWRLZ-QMTHXVAHSA-N 0 3 297.282 2.444 20 5 CEBDHN CCCN1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000174991786 641300214 /nfs/dbraw/zinc/30/02/14/641300214.db2.gz VAZZSUMAVZRFTL-UHFFFAOYSA-N 0 3 263.341 2.435 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](O)[C@@H](C)C1 ZINC000877433965 650719400 /nfs/dbraw/zinc/71/94/00/650719400.db2.gz KWQFPOSXLSZJNE-XHDPSFHLSA-N 0 3 278.352 2.414 20 5 CEBDHN COC(OC)[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000922312457 643020232 /nfs/dbraw/zinc/02/02/32/643020232.db2.gz YYZJAHIYYBWIHC-IOCXFXADSA-N 0 3 280.324 2.205 20 5 CEBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000852587064 643483566 /nfs/dbraw/zinc/48/35/66/643483566.db2.gz RGPXDVSFOBFWHM-TYNCELHUSA-N 0 3 294.351 2.128 20 5 CEBDHN CN(C)C1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853459862 643777891 /nfs/dbraw/zinc/77/78/91/643777891.db2.gz AIWHBQYETUBHHO-UHFFFAOYSA-N 0 3 271.267 2.283 20 5 CEBDHN CC(C)(NC[C@H](O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000839024701 644127385 /nfs/dbraw/zinc/12/73/85/644127385.db2.gz ZLVSMGWSPAGMSW-ZDUSSCGKSA-N 0 3 264.325 2.190 20 5 CEBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CC1 ZINC000763064806 645499264 /nfs/dbraw/zinc/49/92/64/645499264.db2.gz DPVFEWRFRWKVPG-CQSZACIVSA-N 0 3 294.351 2.243 20 5 CEBDHN CC(COC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)[N+](=O)[O-] ZINC000860776693 645901953 /nfs/dbraw/zinc/90/19/53/645901953.db2.gz GVIICGFOHRMJMV-SZOBPAOMSA-N 0 3 295.722 2.434 20 5 CEBDHN Cc1ccc([C@@H](C)NCCN2CCOC2=O)cc1[N+](=O)[O-] ZINC000775549909 646964939 /nfs/dbraw/zinc/96/49/39/646964939.db2.gz RQDYHBFCENPLEI-LLVKDONJSA-N 0 3 293.323 2.006 20 5 CEBDHN C[C@@H]1[C@H](C)SCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582787 647074444 /nfs/dbraw/zinc/07/44/44/647074444.db2.gz BYSOPZHPKWSKGH-UHIISALHSA-N 0 3 296.392 2.454 20 5 CEBDHN CO[C@]1(C)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000791554827 648542546 /nfs/dbraw/zinc/54/25/46/648542546.db2.gz DRWUKTNSDLCMCB-HUUCEWRRSA-N 0 3 294.351 2.129 20 5 CEBDHN C[C@@H](NCCN1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018193 649242023 /nfs/dbraw/zinc/24/20/23/649242023.db2.gz JHZLRXILFJVQAL-LLVKDONJSA-N 0 3 281.331 2.480 20 5 CEBDHN C[C@@H](N[C@H]1CCN(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035570 649249115 /nfs/dbraw/zinc/24/91/15/649249115.db2.gz XDQJXYUNQXNQAJ-ZJUUUORDSA-N 0 3 267.304 2.089 20 5 CEBDHN CC(COC(=O)c1noc2c1CC(C)(C)CC2)[N+](=O)[O-] ZINC000873533299 649695872 /nfs/dbraw/zinc/69/58/72/649695872.db2.gz WHJXMCAKSGPRIH-MRVPVSSYSA-N 0 3 282.296 2.012 20 5 CEBDHN CSC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879098373 651243644 /nfs/dbraw/zinc/24/36/44/651243644.db2.gz CFCYSFASRLHJHU-CQSZACIVSA-N 0 3 296.392 2.456 20 5 CEBDHN CO[C@@H]1CC[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000879321734 651285553 /nfs/dbraw/zinc/28/55/53/651285553.db2.gz RDHWTSJTAWHMLF-QWHCGFSZSA-N 0 3 294.351 2.473 20 5 CEBDHN CO[C@@H]1CC[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879322117 651285775 /nfs/dbraw/zinc/28/57/75/651285775.db2.gz QIWACLORZUXHNU-GLQYFDAESA-N 0 3 294.351 2.128 20 5 CEBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CC2CC2)cc1[N+](=O)[O-] ZINC000884171353 652740677 /nfs/dbraw/zinc/74/06/77/652740677.db2.gz STTQMYKBARJVST-GXFFZTMASA-N 0 3 291.351 2.208 20 5 CEBDHN COc1cc(N[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1C ZINC001167278280 802625527 /nfs/dbraw/zinc/62/55/27/802625527.db2.gz GAKUYZZNTVQRAE-JTQLQIEISA-N 0 3 265.313 2.028 20 5 CEBDHN Cn1cc(CN2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001119306273 815087089 /nfs/dbraw/zinc/08/70/89/815087089.db2.gz NKEJYFGENQMCQN-VXGBXAGGSA-N 0 3 278.356 2.340 20 5 CEBDHN C[C@@H](NC[C@](C)(O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000698570070 807247633 /nfs/dbraw/zinc/24/76/33/807247633.db2.gz NXHNDKQSIGELMM-PELKAZGASA-N 0 3 274.267 2.262 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCCN1C ZINC001120727209 815264528 /nfs/dbraw/zinc/26/45/28/815264528.db2.gz ROPMFKOJXNUJJD-ZDUSSCGKSA-N 0 3 291.351 2.117 20 5 CEBDHN CC(=O)N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC001034571740 809630901 /nfs/dbraw/zinc/63/09/01/809630901.db2.gz FWQFSTWOBHFARJ-HAQNSBGRSA-N 0 3 297.380 2.193 20 5 CEBDHN Cc1ccccc1C1(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)COC1 ZINC001168994120 811325447 /nfs/dbraw/zinc/32/54/47/811325447.db2.gz PKEIHFUZTIMYAK-KBPBESRZSA-N 0 3 290.363 2.256 20 5 CEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC3(C2)CC(F)(F)C3)C1 ZINC001169005969 811329927 /nfs/dbraw/zinc/32/99/27/811329927.db2.gz DQWGWRGSKNNZEK-NXEZZACHSA-N 0 3 260.284 2.163 20 5 CEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC3(C2)CC(F)(F)C3)C1 ZINC001169005971 811331205 /nfs/dbraw/zinc/33/12/05/811331205.db2.gz DQWGWRGSKNNZEK-VHSXEESVSA-N 0 3 260.284 2.163 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@H]1COC[C@@H]1F)CC2 ZINC001172908055 815540947 /nfs/dbraw/zinc/54/09/47/815540947.db2.gz WOMQCBRTCVAARS-SNPRPXQTSA-N 0 3 294.326 2.169 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1C[C@@H](CO)C1)CCC2 ZINC000601291089 346813510 /nfs/dbraw/zinc/81/35/10/346813510.db2.gz GELCJWPWTFOHDP-NVBFEUDRSA-N 0 3 276.336 2.333 20 5 CEBDHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601289943 346813952 /nfs/dbraw/zinc/81/39/52/346813952.db2.gz WYXITYXQGBKMJS-JBLDHEPKSA-N 0 3 250.298 2.016 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCC[C@@H]1O ZINC000601305661 346816094 /nfs/dbraw/zinc/81/60/94/346816094.db2.gz XEIMUJDFZPKXQH-BPNCWPANSA-N 0 3 264.325 2.467 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(CCC2OCCO2)C2CC2)c1 ZINC000124728717 187150860 /nfs/dbraw/zinc/15/08/60/187150860.db2.gz PNCQMBHHKHHXQT-UHFFFAOYSA-N 0 3 292.335 2.322 20 5 CEBDHN COC1CCN(CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080250531 344005015 /nfs/dbraw/zinc/00/50/15/344005015.db2.gz FRVOBWJLSUYLPK-UHFFFAOYSA-N 0 3 297.330 2.257 20 5 CEBDHN CC[C@H](C)NC(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676111 343438003 /nfs/dbraw/zinc/43/80/03/343438003.db2.gz OCDFQLYHCGJMEM-RYUDHWBXSA-N 0 3 293.367 2.030 20 5 CEBDHN C[C@@H](CN1CCCCC1)Nc1ncccc1[N+](=O)[O-] ZINC000047873388 362228694 /nfs/dbraw/zinc/22/86/94/362228694.db2.gz INCJPFJJCACLOX-NSHDSACASA-N 0 3 264.329 2.276 20 5 CEBDHN CCN1CCC[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000295006704 199296440 /nfs/dbraw/zinc/29/64/40/199296440.db2.gz AMHOZXPIBDXIQM-NSHDSACASA-N 0 3 264.329 2.073 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)N(C)C ZINC000449557191 282282343 /nfs/dbraw/zinc/28/23/43/282282343.db2.gz QFUAYRJVNPKXGO-NSHDSACASA-N 0 3 281.356 2.033 20 5 CEBDHN C[C@H](N(C)Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)O ZINC000295060229 199324278 /nfs/dbraw/zinc/32/42/78/199324278.db2.gz BUNUEDLLKNECMK-VIFPVBQESA-N 0 3 270.304 2.325 20 5 CEBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000056987268 343623074 /nfs/dbraw/zinc/62/30/74/343623074.db2.gz MKYNWPMDSNAMHO-GHMZBOCLSA-N 0 3 295.339 2.038 20 5 CEBDHN CC(C)CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000073652683 343832106 /nfs/dbraw/zinc/83/21/06/343832106.db2.gz LFZPRVNIQVURII-UHFFFAOYSA-N 0 3 278.356 2.158 20 5 CEBDHN Cc1cnc(N2CCCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078658845 343960477 /nfs/dbraw/zinc/96/04/77/343960477.db2.gz RVWVQRYBFKJMIM-UHFFFAOYSA-N 0 3 278.356 2.219 20 5 CEBDHN CCN1CCN(CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000078745041 343962886 /nfs/dbraw/zinc/96/28/86/343962886.db2.gz IVPVPJFFQBDMKZ-UHFFFAOYSA-N 0 3 292.383 2.034 20 5 CEBDHN C[C@H](NCC1(CO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090663568 344142494 /nfs/dbraw/zinc/14/24/94/344142494.db2.gz ZJGRTZXKJISIKY-LBPRGKRZSA-N 0 3 294.351 2.035 20 5 CEBDHN Cc1cc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000092620551 344196573 /nfs/dbraw/zinc/19/65/73/344196573.db2.gz QIYRQOSKLICXJM-UHFFFAOYSA-N 0 3 293.367 2.162 20 5 CEBDHN COc1cc(F)c([N+](=O)[O-])c(SCCN(C)C)c1 ZINC000092675663 344199894 /nfs/dbraw/zinc/19/98/94/344199894.db2.gz UOSAVWFZISATKH-UHFFFAOYSA-N 0 3 274.317 2.396 20 5 CEBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000049963824 362388763 /nfs/dbraw/zinc/38/87/63/362388763.db2.gz CKGNUDZLUZOGPZ-VIFPVBQESA-N 0 3 271.748 2.288 20 5 CEBDHN Cc1cc(C(=O)NC[C@H](C)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000139751291 344395033 /nfs/dbraw/zinc/39/50/33/344395033.db2.gz RPIGPNAOYYYCTJ-LBPRGKRZSA-N 0 3 291.351 2.117 20 5 CEBDHN CCO[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000156086609 344440952 /nfs/dbraw/zinc/44/09/52/344440952.db2.gz QOPSEBQYSSGNEA-HNNXBMFYSA-N 0 3 294.351 2.475 20 5 CEBDHN CCN[C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602498005 347057765 /nfs/dbraw/zinc/05/77/65/347057765.db2.gz CGQGZAKJHOBJON-LLVKDONJSA-N 0 3 291.351 2.084 20 5 CEBDHN CCN[C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602499712 347058641 /nfs/dbraw/zinc/05/86/41/347058641.db2.gz KPRRSBOFNXURJE-NSHDSACASA-N 0 3 291.351 2.084 20 5 CEBDHN CO[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000267622357 344663649 /nfs/dbraw/zinc/66/36/49/344663649.db2.gz DTIIRXKFXUSCRB-AWEZNQCLSA-N 0 3 280.324 2.084 20 5 CEBDHN O=[N+]([O-])c1ccc2oc(CNC3CCOCC3)nc2c1 ZINC000602517886 347064183 /nfs/dbraw/zinc/06/41/83/347064183.db2.gz KIFICWOPZNMGCD-UHFFFAOYSA-N 0 3 277.280 2.005 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](CO)CC1 ZINC000293104614 344691052 /nfs/dbraw/zinc/69/10/52/344691052.db2.gz LIEJKEQDADJMDK-GFCCVEGCSA-N 0 3 264.325 2.189 20 5 CEBDHN C[C@H](O)[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000305159709 344709701 /nfs/dbraw/zinc/70/97/01/344709701.db2.gz DUVDABPIFSPMDJ-STQMWFEESA-N 0 3 294.351 2.066 20 5 CEBDHN CN(C)CCN(c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000585701962 345010854 /nfs/dbraw/zinc/01/08/54/345010854.db2.gz FKEWSXNHBNUVFX-UHFFFAOYSA-N 0 3 278.356 2.300 20 5 CEBDHN CN(C)CCn1cc(Nc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000587593977 345031153 /nfs/dbraw/zinc/03/11/53/345031153.db2.gz XKQSLDVBMACUQJ-UHFFFAOYSA-N 0 3 293.302 2.236 20 5 CEBDHN CC[C@@H](O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000127355622 187299635 /nfs/dbraw/zinc/29/96/35/187299635.db2.gz JBNBWSUYAMNSJS-GFCCVEGCSA-N 0 3 252.314 2.154 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCOC1 ZINC000591660358 345272557 /nfs/dbraw/zinc/27/25/57/345272557.db2.gz IUGTYAASWXDPCR-WDEREUQCSA-N 0 3 250.298 2.343 20 5 CEBDHN CC[C@@H](C)C[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000592374442 345347513 /nfs/dbraw/zinc/34/75/13/345347513.db2.gz GYVWVTIMGJUYEM-DGCLKSJQSA-N 0 3 266.341 2.482 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCN2CCCCC[C@H]2CO)cc1 ZINC000594015241 345567274 /nfs/dbraw/zinc/56/72/74/345567274.db2.gz YWTHHQYAJVDSPU-AWEZNQCLSA-N 0 3 294.351 2.211 20 5 CEBDHN CC(C)CN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000058883573 362642297 /nfs/dbraw/zinc/64/22/97/362642297.db2.gz PJPIENWSBOAYOA-UHFFFAOYSA-N 0 3 293.367 2.255 20 5 CEBDHN CC[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594925119 345704269 /nfs/dbraw/zinc/70/42/69/345704269.db2.gz KSMAVCJOBREPCV-DGCLKSJQSA-N 0 3 250.298 2.252 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)CC2CC2)c1 ZINC000594982821 345721471 /nfs/dbraw/zinc/72/14/71/345721471.db2.gz IHGZARPTMLWCOJ-CYBMUJFWSA-N 0 3 264.325 2.093 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000594987453 345722144 /nfs/dbraw/zinc/72/21/44/345722144.db2.gz KMQLWZHEADCTRM-KGLIPLIRSA-N 0 3 276.336 2.296 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)C(C)C ZINC000595011054 345726031 /nfs/dbraw/zinc/72/60/31/345726031.db2.gz GSDPQNFVWOJPBH-GXFFZTMASA-N 0 3 282.340 2.271 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CCCn3nccc32)cc1 ZINC000595012044 345726629 /nfs/dbraw/zinc/72/66/29/345726629.db2.gz MWHIUUNZAAZWEE-AWEZNQCLSA-N 0 3 286.335 2.459 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CO)CC1 ZINC000595015170 345727474 /nfs/dbraw/zinc/72/74/74/345727474.db2.gz XOAWXEGILISJOS-SNVBAGLBSA-N 0 3 280.324 2.027 20 5 CEBDHN CC[C@@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595023556 345729569 /nfs/dbraw/zinc/72/95/69/345729569.db2.gz CWBPCPLCSKURBT-MNOVXSKESA-N 0 3 282.340 2.415 20 5 CEBDHN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595435244 345782154 /nfs/dbraw/zinc/78/21/54/345782154.db2.gz DBWYZZIWTIOGGQ-MWLCHTKSSA-N 0 3 268.288 2.249 20 5 CEBDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086218 345936411 /nfs/dbraw/zinc/93/64/11/345936411.db2.gz WIBJGHRNRCUACC-MNOVXSKESA-N 0 3 294.355 2.228 20 5 CEBDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596086218 345936415 /nfs/dbraw/zinc/93/64/15/345936415.db2.gz WIBJGHRNRCUACC-MNOVXSKESA-N 0 3 294.355 2.228 20 5 CEBDHN CC1(C)CCC[N@H+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596212405 345971084 /nfs/dbraw/zinc/97/10/84/345971084.db2.gz FIVNSAVQJZZRCX-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN CC1(C)CCC[N@@H+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596212405 345971088 /nfs/dbraw/zinc/97/10/88/345971088.db2.gz FIVNSAVQJZZRCX-UHFFFAOYSA-N 0 3 294.355 2.229 20 5 CEBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCN1C(C)(C)C ZINC000596309899 345996706 /nfs/dbraw/zinc/99/67/06/345996706.db2.gz ZSSHAKZNQJAHBP-NSHDSACASA-N 0 3 295.387 2.404 20 5 CEBDHN Cc1ccc(CN2C[C@H]3COC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000597212603 346150014 /nfs/dbraw/zinc/15/00/14/346150014.db2.gz VVFDPXJZXGPCIO-ZFWWWQNUSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCN(C)C1 ZINC000597665377 346212483 /nfs/dbraw/zinc/21/24/83/346212483.db2.gz HLFSXLFXNFARNL-LLVKDONJSA-N 0 3 277.324 2.102 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCN(C)CC1 ZINC000597665697 346212659 /nfs/dbraw/zinc/21/26/59/346212659.db2.gz FACMMXBNWQKHGN-UHFFFAOYSA-N 0 3 291.351 2.492 20 5 CEBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598645329 346391510 /nfs/dbraw/zinc/39/15/10/346391510.db2.gz GUNRDPLYBUANNU-YPMHNXCESA-N 0 3 264.325 2.045 20 5 CEBDHN CCC[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000601140353 346766908 /nfs/dbraw/zinc/76/69/08/346766908.db2.gz UMQNVXONLRIINY-LLVKDONJSA-N 0 3 270.304 2.375 20 5 CEBDHN CC(C)[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602629766 347112493 /nfs/dbraw/zinc/11/24/93/347112493.db2.gz RIIHHGJFAPNBPF-LLVKDONJSA-N 0 3 266.345 2.196 20 5 CEBDHN Cn1cc(CN2CCC3(CCC3)CC2)c([N+](=O)[O-])n1 ZINC000602655238 347125329 /nfs/dbraw/zinc/12/53/29/347125329.db2.gz NRPMHJVCYKIGBN-UHFFFAOYSA-N 0 3 264.329 2.094 20 5 CEBDHN CCC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602769829 347190473 /nfs/dbraw/zinc/19/04/73/347190473.db2.gz WVIHGULKIWMEKC-UHFFFAOYSA-N 0 3 266.345 2.222 20 5 CEBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]2CCC[C@H]21 ZINC000602787584 347197844 /nfs/dbraw/zinc/19/78/44/347197844.db2.gz ZOUXSJVIQGRVGQ-CHWSQXEVSA-N 0 3 278.356 2.364 20 5 CEBDHN Cn1cc(CN[C@@H]2CCCCC2(C)C)c([N+](=O)[O-])n1 ZINC000602810747 347209094 /nfs/dbraw/zinc/20/90/94/347209094.db2.gz IMHVDXQWZRMJEX-LLVKDONJSA-N 0 3 266.345 2.387 20 5 CEBDHN Cn1cc(CN2CCCC3(CC3)CC2)c([N+](=O)[O-])n1 ZINC000602728573 347174554 /nfs/dbraw/zinc/17/45/54/347174554.db2.gz AWAGRPPZAGHGPF-UHFFFAOYSA-N 0 3 264.329 2.094 20 5 CEBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000602744074 347182863 /nfs/dbraw/zinc/18/28/63/347182863.db2.gz OERLUWAGXPMUOU-GZMMTYOYSA-N 0 3 292.257 2.039 20 5 CEBDHN CCS[C@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602832692 347217435 /nfs/dbraw/zinc/21/74/35/347217435.db2.gz VRCLHMJNQBMAMB-QWRGUYRKSA-N 0 3 284.385 2.092 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[C@@H]2O)cc1 ZINC000085962966 179204973 /nfs/dbraw/zinc/20/49/73/179204973.db2.gz JVBPZMGZAFNQCP-OCCSQVGLSA-N 0 3 264.325 2.236 20 5 CEBDHN COC(C)(C)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963474 347258681 /nfs/dbraw/zinc/25/86/81/347258681.db2.gz WDBRFNIMTZCONX-OAHLLOKOSA-N 0 3 296.367 2.207 20 5 CEBDHN CCC[C@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203548 347308254 /nfs/dbraw/zinc/30/82/54/347308254.db2.gz PLUULUINIDGBQN-NSHDSACASA-N 0 3 293.302 2.174 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H](C)C1 ZINC000336840153 365911222 /nfs/dbraw/zinc/91/12/22/365911222.db2.gz PSTFBTFCFZMCBI-KOLCDFICSA-N 0 3 281.360 2.014 20 5 CEBDHN O=[N+]([O-])c1ncccc1N1CCN(C2CCCCC2)CC1 ZINC000610808780 347716079 /nfs/dbraw/zinc/71/60/79/347716079.db2.gz KIFHCVNCEGMLPO-UHFFFAOYSA-N 0 3 290.367 2.445 20 5 CEBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000611370854 347770672 /nfs/dbraw/zinc/77/06/72/347770672.db2.gz SEDKWCKSBLGGEL-IUCAKERBSA-N 0 3 287.410 2.138 20 5 CEBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000611084708 347738090 /nfs/dbraw/zinc/73/80/90/347738090.db2.gz LSCDSZGGGRDEEO-NSHDSACASA-N 0 3 279.340 2.134 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCCO)C1CC1 ZINC000611271584 347761044 /nfs/dbraw/zinc/76/10/44/347761044.db2.gz FYOLSWMWHSXDFY-UTCJRWHESA-N 0 3 276.336 2.455 20 5 CEBDHN CCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611271168 347761075 /nfs/dbraw/zinc/76/10/75/347761075.db2.gz QUBYKHNKLUNNKG-CYBMUJFWSA-N 0 3 277.368 2.429 20 5 CEBDHN C[C@H]1CCN(CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000611498306 347786254 /nfs/dbraw/zinc/78/62/54/347786254.db2.gz AVCYTFNTLYMWHF-NSHDSACASA-N 0 3 281.331 2.165 20 5 CEBDHN O=[N+]([O-])c1cnn(CCN2CCCC3(CCCC3)C2)c1 ZINC000615000549 348264971 /nfs/dbraw/zinc/26/49/71/348264971.db2.gz WWLGXPJYPUCZBV-UHFFFAOYSA-N 0 3 278.356 2.448 20 5 CEBDHN CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273410821 192140759 /nfs/dbraw/zinc/14/07/59/192140759.db2.gz HUFBVPDKSCZAGF-ZDUSSCGKSA-N 0 3 250.298 2.124 20 5 CEBDHN CC[C@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000619696327 349219394 /nfs/dbraw/zinc/21/93/94/349219394.db2.gz BGNDBERHUFGZMG-SECBINFHSA-N 0 3 270.358 2.338 20 5 CEBDHN Cc1cnc(NC[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000090692235 180024934 /nfs/dbraw/zinc/02/49/34/180024934.db2.gz LUGUKOORRSGPOJ-LLVKDONJSA-N 0 3 264.329 2.052 20 5 CEBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000352186732 219350621 /nfs/dbraw/zinc/35/06/21/219350621.db2.gz NMSQJWQWTQINOE-GFCCVEGCSA-N 0 3 280.324 2.084 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000352186798 219350664 /nfs/dbraw/zinc/35/06/64/219350664.db2.gz NZIYDAVWIMKDAY-CYBMUJFWSA-N 0 3 280.324 2.084 20 5 CEBDHN Cc1ccc(CN[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092392471 180375947 /nfs/dbraw/zinc/37/59/47/180375947.db2.gz YIYPQXUICKYLTM-LBPRGKRZSA-N 0 3 252.314 2.010 20 5 CEBDHN Cc1sc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108334284 186212877 /nfs/dbraw/zinc/21/28/77/186212877.db2.gz NOPYFCOEOHCKLN-JTQLQIEISA-N 0 3 297.380 2.036 20 5 CEBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000122752259 187049556 /nfs/dbraw/zinc/04/95/56/187049556.db2.gz SPFFYSATAKRKDK-MNOVXSKESA-N 0 3 291.351 2.172 20 5 CEBDHN C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000123444357 187092081 /nfs/dbraw/zinc/09/20/81/187092081.db2.gz UBBILADABXMWBH-UWVGGRQHSA-N 0 3 297.380 2.211 20 5 CEBDHN CC(C)=CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665250 363155341 /nfs/dbraw/zinc/15/53/41/363155341.db2.gz VBLFNVPMFYQJFQ-LBPRGKRZSA-N 0 3 276.340 2.442 20 5 CEBDHN C[C@@H]1CC[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072897142 363179900 /nfs/dbraw/zinc/17/99/00/363179900.db2.gz QDXLEHAUJZQPRJ-GHMZBOCLSA-N 0 3 291.351 2.314 20 5 CEBDHN COc1cc(CN[C@@]2(C)CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000494207160 290961400 /nfs/dbraw/zinc/96/14/00/290961400.db2.gz BMDJKGMQFUPOTK-YGRLFVJLSA-N 0 3 280.324 2.261 20 5 CEBDHN C[C@H](NC(=O)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000072986868 363189516 /nfs/dbraw/zinc/18/95/16/363189516.db2.gz ZUHMUDDBYQDERN-NSHDSACASA-N 0 3 291.351 2.114 20 5 CEBDHN COc1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471588 290975235 /nfs/dbraw/zinc/97/52/35/290975235.db2.gz HPFVREFKHFPRJW-WFASDCNBSA-N 0 3 292.335 2.261 20 5 CEBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000155556784 188213482 /nfs/dbraw/zinc/21/34/82/188213482.db2.gz QAEKURRIHCGHSW-RISCZKNCSA-N 0 3 291.351 2.053 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CCCO)C1 ZINC000452127398 283197388 /nfs/dbraw/zinc/19/73/88/283197388.db2.gz VVHLPHIWZUTIHA-LBPRGKRZSA-N 0 3 294.351 2.198 20 5 CEBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000078971970 363560436 /nfs/dbraw/zinc/56/04/36/363560436.db2.gz FFCYFCXJRYBOEW-JTQLQIEISA-N 0 3 299.396 2.362 20 5 CEBDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000134644508 366348727 /nfs/dbraw/zinc/34/87/27/366348727.db2.gz GGLUDHXQHYOQSC-NTZNESFSSA-N 0 3 262.309 2.182 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)CO ZINC000294837218 199205557 /nfs/dbraw/zinc/20/55/57/199205557.db2.gz QOSNAOPDALUZMH-UHFFFAOYSA-N 0 3 266.341 2.354 20 5 CEBDHN COCC[C@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000578699065 366534037 /nfs/dbraw/zinc/53/40/37/366534037.db2.gz IBVSITVJIMECPF-DOMZBBRYSA-N 0 3 296.367 2.341 20 5 CEBDHN C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000148480063 366583175 /nfs/dbraw/zinc/58/31/75/366583175.db2.gz CMJIMQHPPGWRKE-SSDOTTSWSA-N 0 3 258.709 2.005 20 5 CEBDHN CCN(CC)CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177842416 189073540 /nfs/dbraw/zinc/07/35/40/189073540.db2.gz CQEKAHSVMASPPZ-GFCCVEGCSA-N 0 3 293.367 2.422 20 5 CEBDHN CC[C@H](NCC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539684 189200595 /nfs/dbraw/zinc/20/05/95/189200595.db2.gz KJYDVUNCGFULKT-KBPBESRZSA-N 0 3 282.340 2.033 20 5 CEBDHN CC[C@H](NCC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000179539705 189201085 /nfs/dbraw/zinc/20/10/85/189201085.db2.gz KJYDVUNCGFULKT-KGLIPLIRSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@H](NCC[C@@H]1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000180446523 189255825 /nfs/dbraw/zinc/25/58/25/189255825.db2.gz OBICHUPJTQZZFM-WDEREUQCSA-N 0 3 278.308 2.199 20 5 CEBDHN Cc1ncc(CNCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000340103925 366771277 /nfs/dbraw/zinc/77/12/77/366771277.db2.gz GNJJIZGBPJCECP-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN CC[C@H](N[C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000084061797 363795774 /nfs/dbraw/zinc/79/57/74/363795774.db2.gz VTZFWMAUNXPMLM-JSGCOSHPSA-N 0 3 291.351 2.256 20 5 CEBDHN CC[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000030144081 361696042 /nfs/dbraw/zinc/69/60/42/361696042.db2.gz HDZDLQBBKYMRGM-NSHDSACASA-N 0 3 291.351 2.316 20 5 CEBDHN Cc1ccc(CN[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000088503425 363902543 /nfs/dbraw/zinc/90/25/43/363902543.db2.gz FMBCYXJTQMMQMI-LLVKDONJSA-N 0 3 252.314 2.154 20 5 CEBDHN CCN(CC)C(=O)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000089511876 363975091 /nfs/dbraw/zinc/97/50/91/363975091.db2.gz KFMFIXNKMAANQB-LBPRGKRZSA-N 0 3 293.367 2.331 20 5 CEBDHN COCC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000112355041 364799213 /nfs/dbraw/zinc/79/92/13/364799213.db2.gz XPEJWFMPEWJIPY-UHFFFAOYSA-N 0 3 294.351 2.332 20 5 CEBDHN CS[C@H](CO)[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303065 299357645 /nfs/dbraw/zinc/35/76/45/299357645.db2.gz XYXDWFKLAIPEIM-MRCXROJRSA-N 0 3 296.392 2.284 20 5 CEBDHN C[C@@H](SCCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000120229720 365391850 /nfs/dbraw/zinc/39/18/50/365391850.db2.gz HZOHHBOBCNAMRE-SNVBAGLBSA-N 0 3 297.380 2.217 20 5 CEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000120540641 365440471 /nfs/dbraw/zinc/44/04/71/365440471.db2.gz FHBCYDHFTUONLD-AAEUAGOBSA-N 0 3 291.351 2.007 20 5 CEBDHN COCCN(C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000159363586 366905812 /nfs/dbraw/zinc/90/58/12/366905812.db2.gz AGAXQAZIWYLDFN-CYBMUJFWSA-N 0 3 295.383 2.132 20 5 CEBDHN CC[C@H](Cn1cncn1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000340524505 366920574 /nfs/dbraw/zinc/92/05/74/366920574.db2.gz ISLSVTCLPABRQX-DGCLKSJQSA-N 0 3 289.339 2.316 20 5 CEBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000162911816 367203424 /nfs/dbraw/zinc/20/34/24/367203424.db2.gz UQMGGMNSXKIGOS-VHSXEESVSA-N 0 3 291.307 2.251 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000172605161 367786921 /nfs/dbraw/zinc/78/69/21/367786921.db2.gz ZINYUUHTNAKCBK-KOLCDFICSA-N 0 3 297.380 2.069 20 5 CEBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc21 ZINC000172718566 367806642 /nfs/dbraw/zinc/80/66/42/367806642.db2.gz ZEGREYGFZDGCPQ-OAHLLOKOSA-N 0 3 286.335 2.411 20 5 CEBDHN COc1cc(N[C@H]2CCCN(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000343594486 367904708 /nfs/dbraw/zinc/90/47/08/367904708.db2.gz LBNCYNSKDLNHMK-PWSUYJOCSA-N 0 3 279.340 2.498 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(N)=O)C1 ZINC000175245239 368118814 /nfs/dbraw/zinc/11/88/14/368118814.db2.gz WCKOBEMJSZIKSK-VXGBXAGGSA-N 0 3 291.351 2.243 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(N)=O)C1 ZINC000175245224 368118961 /nfs/dbraw/zinc/11/89/61/368118961.db2.gz WCKOBEMJSZIKSK-NWDGAFQWSA-N 0 3 291.351 2.243 20 5 CEBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000174807763 368070176 /nfs/dbraw/zinc/07/01/76/368070176.db2.gz OPQVYIWALWXYHG-UHFFFAOYSA-N 0 3 274.324 2.313 20 5 CEBDHN Cc1ccc([C@@H](C)NCC(C)(C)C(N)=O)cc1[N+](=O)[O-] ZINC000183638572 368637706 /nfs/dbraw/zinc/63/77/06/368637706.db2.gz KXVWPMFHTRRFQD-SNVBAGLBSA-N 0 3 279.340 2.065 20 5 CEBDHN CCS[C@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000346554255 368716330 /nfs/dbraw/zinc/71/63/30/368716330.db2.gz GNQJAQYJAJCBDB-PWSUYJOCSA-N 0 3 298.412 2.482 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]3CCC[C@H]32)n1 ZINC000246243373 370935161 /nfs/dbraw/zinc/93/51/61/370935161.db2.gz SAWKLKBZNFBULX-NWDGAFQWSA-N 0 3 264.329 2.056 20 5 CEBDHN CC1(CO)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186953759 369074843 /nfs/dbraw/zinc/07/48/43/369074843.db2.gz LHEDLUMVBBDNDI-UHFFFAOYSA-N 0 3 278.352 2.232 20 5 CEBDHN CC[C@@H](N[C@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000330645041 203073883 /nfs/dbraw/zinc/07/38/83/203073883.db2.gz GIUVXZXZCKKYAE-DZGCQCFKSA-N 0 3 291.351 2.256 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CCN3CCC2CC3)c(F)c1 ZINC000349297377 369291466 /nfs/dbraw/zinc/29/14/66/369291466.db2.gz NRKLBIICXDVCNJ-UHFFFAOYSA-N 0 3 279.315 2.014 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@@H](O)C1 ZINC000349383962 369316186 /nfs/dbraw/zinc/31/61/86/369316186.db2.gz NOKLUDYELQIIKX-HZMBPMFUSA-N 0 3 264.325 2.106 20 5 CEBDHN CC(C)OCC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349896434 369443317 /nfs/dbraw/zinc/44/33/17/369443317.db2.gz QWTCYUWHDREADM-SWLSCSKDSA-N 0 3 296.367 2.421 20 5 CEBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC1CC(O)C1 ZINC000190138099 369597908 /nfs/dbraw/zinc/59/79/08/369597908.db2.gz IZLABVSGZHLTKR-IFQILLTASA-N 0 3 264.325 2.359 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(CCO)CC1CC1 ZINC000352484407 369751160 /nfs/dbraw/zinc/75/11/60/369751160.db2.gz OUOFOCSZXHRZNV-LLVKDONJSA-N 0 3 264.325 2.360 20 5 CEBDHN CCOCCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352543275 369780136 /nfs/dbraw/zinc/78/01/36/369780136.db2.gz CENGRRKQDTYAQL-UHFFFAOYSA-N 0 3 266.341 2.496 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCCCO)c(Cl)c1 ZINC000193284167 369916824 /nfs/dbraw/zinc/91/68/24/369916824.db2.gz HHYZDLNRRAUBMC-UHFFFAOYSA-N 0 3 258.705 2.110 20 5 CEBDHN C[C@@H]1COCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000353034685 369993718 /nfs/dbraw/zinc/99/37/18/369993718.db2.gz AVYJUURFECNEOW-GHMZBOCLSA-N 0 3 282.315 2.496 20 5 CEBDHN O=C(Oc1cccc([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000195227109 370116845 /nfs/dbraw/zinc/11/68/45/370116845.db2.gz CWJRZCGLUDGFAB-UHFFFAOYSA-N 0 3 290.319 2.375 20 5 CEBDHN CCCN1CCC(N(C)c2ncc([N+](=O)[O-])s2)CC1 ZINC000195511976 370134865 /nfs/dbraw/zinc/13/48/65/370134865.db2.gz CAVLSCKVWLWCSM-UHFFFAOYSA-N 0 3 284.385 2.362 20 5 CEBDHN Cc1ccc(CNC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000221150952 370237208 /nfs/dbraw/zinc/23/72/08/370237208.db2.gz TXAKKWWNEATMGG-ZDUSSCGKSA-N 0 3 263.341 2.087 20 5 CEBDHN CC[C@H](NC[C@H](COC)OC)c1cccc([N+](=O)[O-])c1 ZINC000227714861 370382489 /nfs/dbraw/zinc/38/24/89/370382489.db2.gz XTMPWJVJXBUPGX-KGLIPLIRSA-N 0 3 282.340 2.297 20 5 CEBDHN Cc1cc(NC[C@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000228445187 370403895 /nfs/dbraw/zinc/40/38/95/370403895.db2.gz ZPLDEZWXURSKPO-VIFPVBQESA-N 0 3 261.281 2.244 20 5 CEBDHN CC(C)(CCO)CNCc1cccc([N+](=O)[O-])c1 ZINC000231401049 370478870 /nfs/dbraw/zinc/47/88/70/370478870.db2.gz IEUFJIWQRNIKFX-UHFFFAOYSA-N 0 3 252.314 2.093 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000236411335 370588528 /nfs/dbraw/zinc/58/85/28/370588528.db2.gz YSAOPYKDBMLUNA-TZMCWYRMSA-N 0 3 262.309 2.252 20 5 CEBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000236785584 370626696 /nfs/dbraw/zinc/62/66/96/370626696.db2.gz UZVJTJXGKIHVRE-MFKMUULPSA-N 0 3 279.340 2.064 20 5 CEBDHN C[C@H](CO[C@@H]1CCOC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247047914 371054446 /nfs/dbraw/zinc/05/44/46/371054446.db2.gz MAAJAZWLRHNHRD-LALPHHSUSA-N 0 3 294.351 2.439 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000252725649 371472572 /nfs/dbraw/zinc/47/25/72/371472572.db2.gz YKWVRXQEXVGJHF-ZIAGYGMSSA-N 0 3 264.325 2.330 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CN(C2CC2)C[C@H]1C ZINC000361047420 371619248 /nfs/dbraw/zinc/61/92/48/371619248.db2.gz XPDNCQIZLCPEDQ-SKDRFNHKSA-N 0 3 293.371 2.014 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C1(C)C ZINC000361065544 371630218 /nfs/dbraw/zinc/63/02/18/371630218.db2.gz KQNFPTHYKLDYMA-ZDUSSCGKSA-N 0 3 264.325 2.248 20 5 CEBDHN Cc1ccc(CN2CCN(C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000361164072 371691427 /nfs/dbraw/zinc/69/14/27/371691427.db2.gz CYDJKZLDMOSKIQ-OLZOCXBDSA-N 0 3 277.368 2.428 20 5 CEBDHN CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(CC)CC ZINC000265433604 372019401 /nfs/dbraw/zinc/01/94/01/372019401.db2.gz JACXXXYEOCADAM-AWEZNQCLSA-N 0 3 293.367 2.331 20 5 CEBDHN Cc1c([C@H](C)NC[C@H](O)C(F)F)cccc1[N+](=O)[O-] ZINC000361965525 372147845 /nfs/dbraw/zinc/14/78/45/372147845.db2.gz GQEKQJLLQCKITO-KWQFWETISA-N 0 3 274.267 2.180 20 5 CEBDHN C[C@H]1CCC[C@H](CO)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000269692210 372536221 /nfs/dbraw/zinc/53/62/21/372536221.db2.gz IVWPCZOOXDLFGR-GXTWGEPZSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)OCCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644443 372516112 /nfs/dbraw/zinc/51/61/12/372516112.db2.gz KHXIZAFYBUESNY-HNNXBMFYSA-N 0 3 296.367 2.375 20 5 CEBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000269662109 372522923 /nfs/dbraw/zinc/52/29/23/372522923.db2.gz QKYJUWMBNVXLLX-VNHYZAJKSA-N 0 3 276.336 2.360 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)C1CC1 ZINC000344407237 217183997 /nfs/dbraw/zinc/18/39/97/217183997.db2.gz JPUWYEPTGWAVJO-HNNXBMFYSA-N 0 3 294.351 2.244 20 5 CEBDHN CCN(CCCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270753507 372934864 /nfs/dbraw/zinc/93/48/64/372934864.db2.gz VAIKHEYYIBGNFY-NSHDSACASA-N 0 3 252.314 2.360 20 5 CEBDHN CC[C@H](O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505320 299443019 /nfs/dbraw/zinc/44/30/19/299443019.db2.gz DYNPDFRUMSAILV-GXFFZTMASA-N 0 3 264.325 2.333 20 5 CEBDHN Cc1ccc(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000353572254 220164592 /nfs/dbraw/zinc/16/45/92/220164592.db2.gz RGWJTUGQUBEBLF-UHFFFAOYSA-N 0 3 289.339 2.020 20 5 CEBDHN C[C@H](O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000272555923 373548461 /nfs/dbraw/zinc/54/84/61/373548461.db2.gz SEWZVZGVDFHKLP-UUSSSYRCSA-N 0 3 276.336 2.311 20 5 CEBDHN Cc1ccc(CN(C)CCCCO)cc1[N+](=O)[O-] ZINC000276629319 374243578 /nfs/dbraw/zinc/24/35/78/374243578.db2.gz JDUBQSUNVLUXNK-UHFFFAOYSA-N 0 3 252.314 2.108 20 5 CEBDHN C[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278994323 374840878 /nfs/dbraw/zinc/84/08/78/374840878.db2.gz FDSNOGBNALZFHP-NOZJJQNGSA-N 0 3 264.325 2.288 20 5 CEBDHN CC(C)[C@@]1(CO)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000377716680 374932520 /nfs/dbraw/zinc/93/25/20/374932520.db2.gz COPYNHOGYDCZQU-HNNXBMFYSA-N 0 3 278.352 2.435 20 5 CEBDHN CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282443546 375485923 /nfs/dbraw/zinc/48/59/23/375485923.db2.gz RZVMVOCMDKNQSS-JSGCOSHPSA-N 0 3 294.351 2.473 20 5 CEBDHN CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)C1 ZINC000283030883 375640732 /nfs/dbraw/zinc/64/07/32/375640732.db2.gz HPNKUOUHLGERDX-UHFFFAOYSA-N 0 3 281.331 2.260 20 5 CEBDHN Cc1ccc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000414667383 375907699 /nfs/dbraw/zinc/90/76/99/375907699.db2.gz XPMXBDPJCGICEK-MNOVXSKESA-N 0 3 292.339 2.117 20 5 CEBDHN Cc1ccnc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286472918 375964305 /nfs/dbraw/zinc/96/43/05/375964305.db2.gz VZELDZGSCHDHDR-STQMWFEESA-N 0 3 290.367 2.361 20 5 CEBDHN COCCN1CC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000286429376 375950634 /nfs/dbraw/zinc/95/06/34/375950634.db2.gz BNTKPBQDERWXLG-LLVKDONJSA-N 0 3 299.758 2.381 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCCC2)cc1 ZINC000289624360 376424529 /nfs/dbraw/zinc/42/45/29/376424529.db2.gz SZMBGPKKEMUJNB-AWEZNQCLSA-N 0 3 264.325 2.236 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C)CC1 ZINC000263782559 190078290 /nfs/dbraw/zinc/07/82/90/190078290.db2.gz OKDVBVQVGDPFJI-GFCCVEGCSA-N 0 3 263.341 2.293 20 5 CEBDHN COc1cc(CN2CCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305844986 376518727 /nfs/dbraw/zinc/51/87/27/376518727.db2.gz SGJAOCUDUMZAHQ-AAEUAGOBSA-N 0 3 294.351 2.339 20 5 CEBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C ZINC000289962880 376579271 /nfs/dbraw/zinc/57/92/71/376579271.db2.gz YNLBTXYNTASCEK-UHFFFAOYSA-N 0 3 294.355 2.183 20 5 CEBDHN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000310758124 376633839 /nfs/dbraw/zinc/63/38/39/376633839.db2.gz JXGQENOVVGHQIT-LLVKDONJSA-N 0 3 252.314 2.188 20 5 CEBDHN CC(C)[C@@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000313299043 376741926 /nfs/dbraw/zinc/74/19/26/376741926.db2.gz JKZNANXJKKYAHK-CQSZACIVSA-N 0 3 289.339 2.085 20 5 CEBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000290597615 376848006 /nfs/dbraw/zinc/84/80/06/376848006.db2.gz GYHQMMKFILBWSG-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000330579211 377192798 /nfs/dbraw/zinc/19/27/98/377192798.db2.gz ICIHECCDXWNSND-VXGBXAGGSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nnc[nH]2)C1 ZINC000425551297 377371143 /nfs/dbraw/zinc/37/11/43/377371143.db2.gz QJKHPTWHSPIMEG-WDEREUQCSA-N 0 3 287.323 2.263 20 5 CEBDHN CC(C)[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000292983266 377380935 /nfs/dbraw/zinc/38/09/35/377380935.db2.gz RGAQACLORSVNTB-CQSZACIVSA-N 0 3 266.341 2.086 20 5 CEBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000293518661 377605758 /nfs/dbraw/zinc/60/57/58/377605758.db2.gz VVWUTTBQBDOPBX-GHMZBOCLSA-N 0 3 277.324 2.264 20 5 CEBDHN Cc1ccc(CN2CCC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000294042006 377884089 /nfs/dbraw/zinc/88/40/89/377884089.db2.gz OZHWCZSAFPKQIN-CYBMUJFWSA-N 0 3 278.352 2.498 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](O)CC1 ZINC000294167419 377925991 /nfs/dbraw/zinc/92/59/91/377925991.db2.gz WFTMGTSXPAUHRQ-AWEZNQCLSA-N 0 3 264.325 2.250 20 5 CEBDHN CC(C)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000438508929 377904764 /nfs/dbraw/zinc/90/47/64/377904764.db2.gz NJTDPYSKSFGUBK-LBPRGKRZSA-N 0 3 291.351 2.172 20 5 CEBDHN COc1cc(CNCCC(C)(F)F)c([N+](=O)[O-])cc1O ZINC000296082314 378411933 /nfs/dbraw/zinc/41/19/33/378411933.db2.gz QQKOHDJMGXGPQW-UHFFFAOYSA-N 0 3 290.266 2.444 20 5 CEBDHN Cc1ccc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450602152 378494666 /nfs/dbraw/zinc/49/46/66/378494666.db2.gz ZXYRCAPWLAQHQG-CYBMUJFWSA-N 0 3 293.367 2.162 20 5 CEBDHN COC[C@](C)(O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453264597 378848444 /nfs/dbraw/zinc/84/84/44/378848444.db2.gz WGUIMMXQPAWDGY-SWLSCSKDSA-N 0 3 296.367 2.341 20 5 CEBDHN CCC[C@](C)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304261138 379539913 /nfs/dbraw/zinc/53/99/13/379539913.db2.gz TZLGZZZVQHXUGO-CQSZACIVSA-N 0 3 282.340 2.244 20 5 CEBDHN COc1ccc(CNC[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000304071210 379520223 /nfs/dbraw/zinc/52/02/23/379520223.db2.gz VLIDRMHGIXMSBX-AWEZNQCLSA-N 0 3 282.340 2.100 20 5 CEBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000266962270 190293553 /nfs/dbraw/zinc/29/35/53/190293553.db2.gz IEUOTSGQBYXSQM-UHFFFAOYSA-N 0 3 293.367 2.426 20 5 CEBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(N(C)C)CCSC1 ZINC000267066805 190300830 /nfs/dbraw/zinc/30/08/30/190300830.db2.gz HTFCXSBFFXIWCA-ZDUSSCGKSA-N 0 3 296.396 2.147 20 5 CEBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1 ZINC000267152019 190307356 /nfs/dbraw/zinc/30/73/56/190307356.db2.gz MRVONXFINOPZID-NWDGAFQWSA-N 0 3 264.325 2.360 20 5 CEBDHN CS[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000347796709 218360087 /nfs/dbraw/zinc/36/00/87/218360087.db2.gz VMCOGHPWVWUSAN-UONOGXRCSA-N 0 3 295.408 2.385 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493267206 380888512 /nfs/dbraw/zinc/88/85/12/380888512.db2.gz OBYFZZVALVNGOR-HJWRWDBZSA-N 0 3 291.351 2.064 20 5 CEBDHN CN(C)CC(C)(C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493468838 381007066 /nfs/dbraw/zinc/00/70/66/381007066.db2.gz ROCZJDVYEAUXQY-KTKRTIGZSA-N 0 3 291.351 2.064 20 5 CEBDHN O=[N+]([O-])c1ccsc1N1CC[C@@H](N2CCCC2)C1 ZINC000301977671 285170309 /nfs/dbraw/zinc/17/03/09/285170309.db2.gz DNGJLPMAQJMBQC-SNVBAGLBSA-N 0 3 267.354 2.331 20 5 CEBDHN C[C@@H](NCC(C)(C)OCCO)c1ccc([N+](=O)[O-])cc1 ZINC000287340300 196835483 /nfs/dbraw/zinc/83/54/83/196835483.db2.gz NAPRYYALYKZYMX-LLVKDONJSA-N 0 3 282.340 2.033 20 5 CEBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CN1C1CC1 ZINC000357518834 533661768 /nfs/dbraw/zinc/66/17/68/533661768.db2.gz AIGSXHWGAJNBOB-MWLCHTKSSA-N 0 3 262.313 2.027 20 5 CEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@@H]1CCO ZINC000189972471 130046047 /nfs/dbraw/zinc/04/60/47/130046047.db2.gz STTZAENGJWMWBF-YPMHNXCESA-N 0 3 264.325 2.236 20 5 CEBDHN CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000421092510 394483754 /nfs/dbraw/zinc/48/37/54/394483754.db2.gz HOHMFCQXZNRQNZ-ZDUSSCGKSA-N 0 3 292.339 2.153 20 5 CEBDHN CC(C)N1CC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000057315345 394563044 /nfs/dbraw/zinc/56/30/44/394563044.db2.gz NQQINVIWEAEZKC-VIFPVBQESA-N 0 3 295.368 2.199 20 5 CEBDHN Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000421703786 394570116 /nfs/dbraw/zinc/57/01/16/394570116.db2.gz NALZAOOYPXKBTL-ZDUSSCGKSA-N 0 3 291.351 2.069 20 5 CEBDHN CC[C@@H](C)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000421384020 394519842 /nfs/dbraw/zinc/51/98/42/394519842.db2.gz OKXUCIZEVQUJDI-SECBINFHSA-N 0 3 268.313 2.445 20 5 CEBDHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000249016620 394550942 /nfs/dbraw/zinc/55/09/42/394550942.db2.gz JKHSZDWMDWJSRI-JJLQDPRZSA-N 0 3 278.352 2.371 20 5 CEBDHN C[C@H]1CCC[C@H](C)C1NCc1c([N+](=O)[O-])ncn1C ZINC000330841059 394625656 /nfs/dbraw/zinc/62/56/56/394625656.db2.gz NHGVREJEXAREKT-UWVGGRQHSA-N 0 3 266.345 2.243 20 5 CEBDHN CCN1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000267214787 394674425 /nfs/dbraw/zinc/67/44/25/394674425.db2.gz MMCLJEGIGPXWTG-UHFFFAOYSA-N 0 3 267.304 2.266 20 5 CEBDHN Cc1cc(NC(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000415451141 394933200 /nfs/dbraw/zinc/93/32/00/394933200.db2.gz ZUQZNHBDQOHWHR-WDEREUQCSA-N 0 3 292.339 2.117 20 5 CEBDHN COc1ccc(CN[C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000152342149 394994279 /nfs/dbraw/zinc/99/42/79/394994279.db2.gz XALBOPNYEFTNIQ-STQMWFEESA-N 0 3 294.351 2.244 20 5 CEBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000152342080 394994433 /nfs/dbraw/zinc/99/44/33/394994433.db2.gz XALBOPNYEFTNIQ-QWHCGFSZSA-N 0 3 294.351 2.244 20 5 CEBDHN CC(C)c1ccc(CN[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000345862361 395080443 /nfs/dbraw/zinc/08/04/43/395080443.db2.gz VPGMVXMGXRJCDD-SNVBAGLBSA-N 0 3 279.340 2.072 20 5 CEBDHN COc1cc(CN[C@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000494471587 395114953 /nfs/dbraw/zinc/11/49/53/395114953.db2.gz HPFVREFKHFPRJW-SWLSCSKDSA-N 0 3 292.335 2.261 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)C(F)F)CCC2 ZINC000436282600 395104907 /nfs/dbraw/zinc/10/49/07/395104907.db2.gz HQWKZQPYERSNCH-RYUDHWBXSA-N 0 3 286.278 2.188 20 5 CEBDHN Cc1c(CN(C)[C@@H](C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000295082524 395284835 /nfs/dbraw/zinc/28/48/35/395284835.db2.gz DNDMXJHBBKXYKZ-NSHDSACASA-N 0 3 266.341 2.494 20 5 CEBDHN C[C@H]1CCN(C)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000434960594 395340493 /nfs/dbraw/zinc/34/04/93/395340493.db2.gz VICRYCRITHJILI-VIFPVBQESA-N 0 3 284.747 2.174 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCCC3(CCCC3)C2)n1 ZINC000445842888 395471862 /nfs/dbraw/zinc/47/18/62/395471862.db2.gz VBWQGWSWWQEPBO-UHFFFAOYSA-N 0 3 278.356 2.448 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H](C)O ZINC000449544288 395554135 /nfs/dbraw/zinc/55/41/35/395554135.db2.gz QEMPRTRHRVEFKE-MFKMUULPSA-N 0 3 252.314 2.152 20 5 CEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCc1ccncc1)CC2 ZINC000360493104 155313015 /nfs/dbraw/zinc/31/30/15/155313015.db2.gz WNQQGKQRAQBHHL-UHFFFAOYSA-N 0 3 298.346 2.376 20 5 CEBDHN Cc1ccc([C@@H](C)NC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000224453721 153323110 /nfs/dbraw/zinc/32/31/10/153323110.db2.gz WPPACHWCCUIGDR-KCJUWKMLSA-N 0 3 274.267 2.180 20 5 CEBDHN O=[N+]([O-])c1cc(CNCC[C@H]2CCOC2)cs1 ZINC000230165840 153386614 /nfs/dbraw/zinc/38/66/14/153386614.db2.gz AFLCONWIQMIUTA-VIFPVBQESA-N 0 3 256.327 2.173 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](O)C1 ZINC000272259999 292296099 /nfs/dbraw/zinc/29/60/99/292296099.db2.gz BMRXDSDBTWSFND-AAEUAGOBSA-N 0 3 264.325 2.421 20 5 CEBDHN CCN1CCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000352658994 154324910 /nfs/dbraw/zinc/32/49/10/154324910.db2.gz HMXOZRHIWCBTEE-GFCCVEGCSA-N 0 3 293.367 2.129 20 5 CEBDHN C[C@H](CO)[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000167060965 165034692 /nfs/dbraw/zinc/03/46/92/165034692.db2.gz CIKAZPHXJKXUMP-BDAKNGLRSA-N 0 3 272.732 2.355 20 5 CEBDHN CC[C@]1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271143 165158816 /nfs/dbraw/zinc/15/88/16/165158816.db2.gz YELAHDCKFMHTGL-CYBMUJFWSA-N 0 3 266.345 2.303 20 5 CEBDHN CN(C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000021798999 171325562 /nfs/dbraw/zinc/32/55/62/171325562.db2.gz BCGDOWLCJPBKFR-UHFFFAOYSA-N 0 3 288.145 2.331 20 5 CEBDHN CN(C)CCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084579 171971982 /nfs/dbraw/zinc/97/19/82/171971982.db2.gz ZVFZHVOGPQTVIC-UHFFFAOYSA-N 0 3 260.297 2.117 20 5 CEBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596415 175076645 /nfs/dbraw/zinc/07/66/45/175076645.db2.gz SCFMGDDUTJDUDN-UHFFFAOYSA-N 0 3 288.145 2.331 20 5 CEBDHN Cc1c(CN2CC[C@H](CCCO)C2)cccc1[N+](=O)[O-] ZINC000452117403 263038063 /nfs/dbraw/zinc/03/80/63/263038063.db2.gz CXIZNQVBPXAKRX-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000519545887 265466506 /nfs/dbraw/zinc/46/65/06/265466506.db2.gz VXXUYTOYALRCTA-OCCSQVGLSA-N 0 3 262.309 2.206 20 5 CEBDHN O=[N+]([O-])c1cnn(CCNCc2cccc(C3CC3)c2)c1 ZINC000421339908 270604778 /nfs/dbraw/zinc/60/47/78/270604778.db2.gz HDYCUPRMQDPNRQ-UHFFFAOYSA-N 0 3 286.335 2.459 20 5 CEBDHN CC[C@@]1(O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000428444338 271267069 /nfs/dbraw/zinc/26/70/69/271267069.db2.gz VMHSIENJAYEJSZ-ZQMJAJRESA-N 0 3 276.336 2.455 20 5 CEBDHN COC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217462 271363868 /nfs/dbraw/zinc/36/38/68/271363868.db2.gz HIZOOBCKBOWZLF-LLVKDONJSA-N 0 3 280.324 2.072 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CCO)C(C)(C)C ZINC000430220389 271365528 /nfs/dbraw/zinc/36/55/28/271365528.db2.gz PRSVLYSEBMGLMP-CQSZACIVSA-N 0 3 296.367 2.490 20 5 CEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000267540768 274334852 /nfs/dbraw/zinc/33/48/52/274334852.db2.gz CCWJPZUYQSDRHE-SKDRFNHKSA-N 0 3 298.774 2.420 20 5 CEBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1C[C@@H](O)C1)CCC2 ZINC000295830098 275038121 /nfs/dbraw/zinc/03/81/21/275038121.db2.gz CMYQHXHFAQWSEY-SUHUHFCYSA-N 0 3 262.309 2.085 20 5 CEBDHN O=[N+]([O-])c1cnc(N2CCC[C@H](N3CCCC3)C2)c(F)c1 ZINC000408464378 275040889 /nfs/dbraw/zinc/04/08/89/275040889.db2.gz FDCFMEHUDQSQRT-NSHDSACASA-N 0 3 294.330 2.194 20 5 CEBDHN COC(=O)CCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037416842 277316889 /nfs/dbraw/zinc/31/68/89/277316889.db2.gz ZFSXZSQYDDIRHI-SNVBAGLBSA-N 0 3 266.297 2.199 20 5 CEBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000299143225 278259590 /nfs/dbraw/zinc/25/95/90/278259590.db2.gz MKYNWPMDSNAMHO-QWRGUYRKSA-N 0 3 295.339 2.038 20 5 CEBDHN CCC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131108004 278874813 /nfs/dbraw/zinc/87/48/13/278874813.db2.gz KXDJSCFDUVNUBQ-ZWNOBZJWSA-N 0 3 252.314 2.406 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(CN(C)C)CCC2)c1 ZINC000280973426 281008371 /nfs/dbraw/zinc/00/83/71/281008371.db2.gz ANULNWGWZCKYPC-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN CC[C@@H](N[C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424310860 281146288 /nfs/dbraw/zinc/14/62/88/281146288.db2.gz DBHYOCCSAQOCHD-JHJVBQTASA-N 0 3 250.298 2.159 20 5 CEBDHN C[C@H](N[C@H]1CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000134242812 290055556 /nfs/dbraw/zinc/05/55/56/290055556.db2.gz BRHSFPZLXXZJCQ-KWBADKCTSA-N 0 3 250.298 2.423 20 5 CEBDHN Cc1ccc(CNC[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000171841983 534068728 /nfs/dbraw/zinc/06/87/28/534068728.db2.gz PQSXBFSPKGWIBG-AWEZNQCLSA-N 0 3 266.341 2.400 20 5 CEBDHN CC(C)COC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151453941 519758869 /nfs/dbraw/zinc/75/88/69/519758869.db2.gz JFNNJBZMIKEGOW-IUODEOHRSA-N 0 3 296.367 2.279 20 5 CEBDHN Cc1c(CN2CCCC[C@@H]2C(=N)NO)cccc1[N+](=O)[O-] ZINC000364768535 525704567 /nfs/dbraw/zinc/70/45/67/525704567.db2.gz JDYJBHBSXVORFP-CYBMUJFWSA-N 0 3 292.339 2.214 20 5 CEBDHN Cc1c(CNCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000049575137 525725776 /nfs/dbraw/zinc/72/57/76/525725776.db2.gz NJTLKAPNHZDETQ-UHFFFAOYSA-N 0 3 277.368 2.479 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCCCC[C@H]32)n1 ZINC000366099617 527407501 /nfs/dbraw/zinc/40/75/01/527407501.db2.gz UPATXTPUWIPKSP-VXGBXAGGSA-N 0 3 264.329 2.056 20 5 CEBDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414350727 529145411 /nfs/dbraw/zinc/14/54/11/529145411.db2.gz USUPCKPAWKXBCN-NWDGAFQWSA-N 0 3 293.367 2.029 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)C(C)C ZINC000742834170 575035452 /nfs/dbraw/zinc/03/54/52/575035452.db2.gz MKXMIZMMJQTVRX-AWEZNQCLSA-N 0 3 293.367 2.219 20 5 CEBDHN C[C@@H](CCO)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000097441342 622664019 /nfs/dbraw/zinc/66/40/19/622664019.db2.gz OEYKBHUWSXKNSW-VIFPVBQESA-N 0 3 272.732 2.356 20 5 CEBDHN CC(C)=C[C@@H]1[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1(C)C ZINC000813103098 623019240 /nfs/dbraw/zinc/01/92/40/623019240.db2.gz NOGQAMIDZFIFBV-MXWKQRLJSA-N 0 3 255.314 2.433 20 5 CEBDHN COc1cccc([C@H](C)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104510 623022105 /nfs/dbraw/zinc/02/21/05/623022105.db2.gz DHJWKEOJIJTFMC-ZJUUUORDSA-N 0 3 267.281 2.007 20 5 CEBDHN CC(COC(=O)[C@H]1CCCC(F)(F)C1)[N+](=O)[O-] ZINC000813107443 623038049 /nfs/dbraw/zinc/03/80/49/623038049.db2.gz QMGZSHJESAJDOX-YUMQZZPRSA-N 0 3 251.229 2.020 20 5 CEBDHN Cc1ccc(C(=O)CCC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813115035 623079692 /nfs/dbraw/zinc/07/96/92/623079692.db2.gz JKGVSPUDPHXSHZ-NSHDSACASA-N 0 3 279.292 2.166 20 5 CEBDHN COc1ccc2c(c1)CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000893048547 627968582 /nfs/dbraw/zinc/96/85/82/627968582.db2.gz XVMVMGZQGYVJOO-GWCFXTLKSA-N 0 3 293.319 2.009 20 5 CEBDHN COc1c([O-])ccc(C[NH2+]C2(C)CCC2)c1[N+](=O)[O-] ZINC000893383907 628543648 /nfs/dbraw/zinc/54/36/48/628543648.db2.gz HOHAHPNUEJDIFF-UHFFFAOYSA-N 0 3 266.297 2.341 20 5 CEBDHN Cn1cnc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000313256332 628585499 /nfs/dbraw/zinc/58/54/99/628585499.db2.gz UCRBYGURWPZRPF-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CN1C[C@H]2[C@@H](CCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000893941999 629056538 /nfs/dbraw/zinc/05/65/38/629056538.db2.gz YGFJBWKRYKSYLH-WFASDCNBSA-N 0 3 298.346 2.283 20 5 CEBDHN CCC[C@@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894663938 629578460 /nfs/dbraw/zinc/57/84/60/629578460.db2.gz OVANBEKNEGZGKR-NSHDSACASA-N 0 3 298.339 2.214 20 5 CEBDHN CN1C[C@@]2(C)CN(c3sccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894798396 629646874 /nfs/dbraw/zinc/64/68/74/629646874.db2.gz UNFNQVVCRKSHBF-STQMWFEESA-N 0 3 281.381 2.434 20 5 CEBDHN C[C@H]1[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CCN1C ZINC000895734955 630324681 /nfs/dbraw/zinc/32/46/81/630324681.db2.gz BGPVCLBBWBRRSA-CMPLNLGQSA-N 0 3 290.367 2.373 20 5 CEBDHN CO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000799343139 631016173 /nfs/dbraw/zinc/01/61/73/631016173.db2.gz AVSQVJXHCCWLRY-KCPJHIHWSA-N 0 3 294.351 2.128 20 5 CEBDHN CC(C)N1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804379378 631672435 /nfs/dbraw/zinc/67/24/35/631672435.db2.gz LNSVMFAAADOVMU-JTQLQIEISA-N 0 3 294.311 2.398 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCc2ccc(CCO)cc2)cc1 ZINC000898172449 632080707 /nfs/dbraw/zinc/08/07/07/632080707.db2.gz JBSCCPBSLLJCAH-UHFFFAOYSA-N 0 3 286.331 2.419 20 5 CEBDHN CC(COC(=O)C1(c2ccccc2)CCC1)[N+](=O)[O-] ZINC000813100345 632620840 /nfs/dbraw/zinc/62/08/40/632620840.db2.gz RBMLFSRONYGNEW-NSHDSACASA-N 0 3 263.293 2.317 20 5 CEBDHN CC(COC(=O)C(C)(C)c1ccccc1)[N+](=O)[O-] ZINC000813101664 632621020 /nfs/dbraw/zinc/62/10/20/632621020.db2.gz GNOKXUZLQPZSPO-SNVBAGLBSA-N 0 3 251.282 2.173 20 5 CEBDHN CC(COC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)[N+](=O)[O-] ZINC000813102752 632621662 /nfs/dbraw/zinc/62/16/62/632621662.db2.gz USGAPLVJVJFKNH-DIOULYMOSA-N 0 3 289.331 2.489 20 5 CEBDHN COc1ccc([C@H](C)CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813101932 632621995 /nfs/dbraw/zinc/62/19/95/632621995.db2.gz LNQTUIRWFYQVMT-MNOVXSKESA-N 0 3 281.308 2.397 20 5 CEBDHN Cc1ccc(C)c(OCCC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105548 632623229 /nfs/dbraw/zinc/62/32/29/632623229.db2.gz OHSHIPNWAUPDCV-LBPRGKRZSA-N 0 3 281.308 2.281 20 5 CEBDHN CC(COC(=O)c1csc(Br)c1)[N+](=O)[O-] ZINC000813105139 632623593 /nfs/dbraw/zinc/62/35/93/632623593.db2.gz WCFQTTUPFXZRKO-YFKPBYRVSA-N 0 3 294.126 2.333 20 5 CEBDHN CC(COC(=O)COc1ccc(F)cc1Cl)[N+](=O)[O-] ZINC000813106083 632623678 /nfs/dbraw/zinc/62/36/78/632623678.db2.gz YBXRBCULBWNADS-SSDOTTSWSA-N 0 3 291.662 2.066 20 5 CEBDHN CC(COC(=O)c1ccc(C(F)F)cc1)[N+](=O)[O-] ZINC000813106748 632624306 /nfs/dbraw/zinc/62/43/06/632624306.db2.gz HIJKWDLPMRCZBG-ZETCQYMHSA-N 0 3 259.208 2.446 20 5 CEBDHN CC(COC(=O)Cc1ccc(Cl)s1)[N+](=O)[O-] ZINC000813111226 632627872 /nfs/dbraw/zinc/62/78/72/632627872.db2.gz DEUFCSSSWPILAQ-LURJTMIESA-N 0 3 263.702 2.152 20 5 CEBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C1CCCC1 ZINC000813114214 632628738 /nfs/dbraw/zinc/62/87/38/632628738.db2.gz NQSVYSVZGIUSRQ-SNVBAGLBSA-N 0 3 295.339 2.383 20 5 CEBDHN CCCOc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113453 632628832 /nfs/dbraw/zinc/62/88/32/632628832.db2.gz QCVNLYVIJXNPPL-LLVKDONJSA-N 0 3 281.308 2.226 20 5 CEBDHN CCN(CCSC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830999481 637214480 /nfs/dbraw/zinc/21/44/80/637214480.db2.gz MENXNMDFTNXHBZ-ZDUSSCGKSA-N 0 3 284.381 2.313 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844469774 640740474 /nfs/dbraw/zinc/74/04/74/640740474.db2.gz DZTLNDDMDYUGBM-OLZOCXBDSA-N 0 3 298.289 2.359 20 5 CEBDHN O=C(Cc1cccc([N+](=O)[O-])c1)OCCN1CCCCC1 ZINC000770386620 642156075 /nfs/dbraw/zinc/15/60/75/642156075.db2.gz XKBTVOJWFUZNCE-UHFFFAOYSA-N 0 3 292.335 2.166 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](O)C(C)(C)C1 ZINC000877487676 650746329 /nfs/dbraw/zinc/74/63/29/650746329.db2.gz ZEEMJSWLYHJJAL-AWEZNQCLSA-N 0 3 278.352 2.414 20 5 CEBDHN CC(COC(=O)[C@H]1CCc2cc(F)ccc21)[N+](=O)[O-] ZINC000851036772 642890304 /nfs/dbraw/zinc/89/03/04/642890304.db2.gz MXICNHBGVQATSE-UFBFGSQYSA-N 0 3 267.256 2.064 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000852583563 643481762 /nfs/dbraw/zinc/48/17/62/643481762.db2.gz YDGOABCGTIHWOS-QWHCGFSZSA-N 0 3 280.299 2.127 20 5 CEBDHN O=[N+]([O-])c1cccc(CN(C[C@@H](O)C2CC2)C2CC2)c1 ZINC000838872618 644058576 /nfs/dbraw/zinc/05/85/76/644058576.db2.gz JHFQRIYBIFUEHI-OAHLLOKOSA-N 0 3 276.336 2.330 20 5 CEBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](CO)CC2CC2)c1 ZINC000754832760 644437271 /nfs/dbraw/zinc/43/72/71/644437271.db2.gz KFNKILDIVHZWGW-NSHDSACASA-N 0 3 284.743 2.499 20 5 CEBDHN CC(COC(=O)CC1CCC(F)(F)CC1)[N+](=O)[O-] ZINC000860776004 645901764 /nfs/dbraw/zinc/90/17/64/645901764.db2.gz ASCKNQLNFAXJRX-QMMMGPOBSA-N 0 3 265.256 2.410 20 5 CEBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](O)C1 ZINC000872089216 649269672 /nfs/dbraw/zinc/26/96/72/649269672.db2.gz VFHCADLSHVXROP-QXEWZRGKSA-N 0 3 282.365 2.491 20 5 CEBDHN C[C@H](N[C@H]1CO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000872128312 649285992 /nfs/dbraw/zinc/28/59/92/649285992.db2.gz KDHWMTGIGNGTCF-GARJFASQSA-N 0 3 250.298 2.423 20 5 CEBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001227185805 805877979 /nfs/dbraw/zinc/87/79/79/805877979.db2.gz ZCOHGEHIAZNTNY-NSHDSACASA-N 0 3 266.297 2.076 20 5 CEBDHN CO[C@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001119244506 815078132 /nfs/dbraw/zinc/07/81/32/815078132.db2.gz HIABZLCBEIYVMS-ONGXEEELSA-N 0 3 291.307 2.393 20 5 CEBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000702063123 809491515 /nfs/dbraw/zinc/49/15/15/809491515.db2.gz KKVTZVMRYSOTSZ-UHFFFAOYSA-N 0 3 297.742 2.072 20 5 CEBDHN Cc1cc2c(cn1)CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169039113 811348915 /nfs/dbraw/zinc/34/89/15/811348915.db2.gz NENJDOOQXJHDGR-BXUZGUMPSA-N 0 3 261.325 2.151 20 5 CEBDHN NCc1cnnn1-c1nc2ccccc2c2ccccc21 ZINC001169311663 811484786 /nfs/dbraw/zinc/48/47/86/811484786.db2.gz PJYDIZAPLGWAFL-UHFFFAOYSA-N 0 3 275.315 2.427 20 5 CEBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336190 812389945 /nfs/dbraw/zinc/38/99/45/812389945.db2.gz VQXRJHQXKLOGGX-BXUZGUMPSA-N 0 3 294.351 2.255 20 5 CEBDHN COc1ccc(C[C@H](C)N2CC[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC001170336191 812391085 /nfs/dbraw/zinc/39/10/85/812391085.db2.gz VQXRJHQXKLOGGX-FZMZJTMJSA-N 0 3 294.351 2.255 20 5 CEBDHN NCc1cn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172897021 815538563 /nfs/dbraw/zinc/53/85/63/815538563.db2.gz WMYGWUMTSRHCLS-AWEZNQCLSA-N 0 3 286.335 2.370 20 5 CEBDHN CCC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133163803 813003314 /nfs/dbraw/zinc/00/33/14/813003314.db2.gz BDZWQQKYRKACPV-UHFFFAOYSA-N 0 3 293.367 2.237 20 5 CEBDHN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000696033185 814641762 /nfs/dbraw/zinc/64/17/62/814641762.db2.gz JEBUPUFMMLFIIQ-SECBINFHSA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000696033186 814642403 /nfs/dbraw/zinc/64/24/03/814642403.db2.gz JEBUPUFMMLFIIQ-VIFPVBQESA-N 0 3 284.743 2.499 20 5 CEBDHN C[C@@H](NCCOC1CC1)c1ccccc1[N+](=O)[O-] ZINC000714983409 814919983 /nfs/dbraw/zinc/91/99/83/814919983.db2.gz XTGBEAFHXZIYIA-SNVBAGLBSA-N 0 3 250.298 2.424 20 5 CEBDHN CC/C=C(/C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124344645 815611821 /nfs/dbraw/zinc/61/18/21/815611821.db2.gz OAGHJWNFNNOGHP-QCDXTXTGSA-N 0 3 291.351 2.157 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnoc1 ZINC001173217786 815624939 /nfs/dbraw/zinc/62/49/39/815624939.db2.gz MCUHUTYCSSZDHT-SNVBAGLBSA-N 0 3 261.281 2.304 20 5 CEBDHN CCC(=O)CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220211 815626111 /nfs/dbraw/zinc/62/61/11/815626111.db2.gz VZLFTYPRAOALBM-JTQLQIEISA-N 0 3 250.298 2.095 20 5 CEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N2CCCC2)C1 ZINC001173225100 815630089 /nfs/dbraw/zinc/63/00/89/815630089.db2.gz BLKHJZNRHVHVNE-CYBMUJFWSA-N 0 3 289.379 2.306 20 5 CEBDHN CC[C@H](N[C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000036977019 361877759 /nfs/dbraw/zinc/87/77/59/361877759.db2.gz OZNVGSLOEDOTOY-KBPBESRZSA-N 0 3 291.351 2.304 20 5 CEBDHN CCC[C@](C)(N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037621362 361914007 /nfs/dbraw/zinc/91/40/07/361914007.db2.gz CMNIGMWXYDIWBK-ZDUSSCGKSA-N 0 3 265.313 2.359 20 5 CEBDHN CCC[C@](C)(N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766568 361933065 /nfs/dbraw/zinc/93/30/65/361933065.db2.gz JALXYDDMDIHGNN-YGRLFVJLSA-N 0 3 279.340 2.290 20 5 CEBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCCO2)c1 ZINC000042813515 362120970 /nfs/dbraw/zinc/12/09/70/362120970.db2.gz WZLYSFFMKIXNBT-ZDUSSCGKSA-N 0 3 250.298 2.254 20 5 CEBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000008336976 343362193 /nfs/dbraw/zinc/36/21/93/343362193.db2.gz NJJKJXZZAFCZCF-SECBINFHSA-N 0 3 295.368 2.105 20 5 CEBDHN CO[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493572 282257334 /nfs/dbraw/zinc/25/73/34/282257334.db2.gz FDINYSBHTRBAGD-SMDDNHRTSA-N 0 3 264.325 2.452 20 5 CEBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000047701566 362222481 /nfs/dbraw/zinc/22/24/81/362222481.db2.gz SQWOBSLYSMGTDN-NSHDSACASA-N 0 3 250.298 2.063 20 5 CEBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000047687334 343521105 /nfs/dbraw/zinc/52/11/05/343521105.db2.gz LQRPSJIJQZGRFX-ZDUSSCGKSA-N 0 3 264.325 2.453 20 5 CEBDHN Cc1cc(N2CCN(CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000301055846 136421133 /nfs/dbraw/zinc/42/11/33/136421133.db2.gz ANLOOZAHECKRIU-UHFFFAOYSA-N 0 3 275.352 2.435 20 5 CEBDHN C[C@H](CCCCO)NCc1csc([N+](=O)[O-])c1 ZINC000295071409 199330270 /nfs/dbraw/zinc/33/02/70/199330270.db2.gz PFRICJVJFNMFAE-SECBINFHSA-N 0 3 258.343 2.297 20 5 CEBDHN COc1ccc(CNC[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000128131194 187353564 /nfs/dbraw/zinc/35/35/64/187353564.db2.gz DIHLHCNXXMXAMR-SECBINFHSA-N 0 3 270.354 2.445 20 5 CEBDHN Cc1cnc(NC2CCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000078628346 343959020 /nfs/dbraw/zinc/95/90/20/343959020.db2.gz MOZAGZRFXUDXAZ-UHFFFAOYSA-N 0 3 276.340 2.337 20 5 CEBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000090413667 344139569 /nfs/dbraw/zinc/13/95/69/344139569.db2.gz SYTZYXCQTGBMFK-DGCLKSJQSA-N 0 3 291.351 2.175 20 5 CEBDHN Cc1cc(Nc2cnn(CCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000092627993 344197220 /nfs/dbraw/zinc/19/72/20/344197220.db2.gz FITHKSUFKZAQQK-UHFFFAOYSA-N 0 3 289.339 2.405 20 5 CEBDHN C[C@@H]1CCCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602468946 347044655 /nfs/dbraw/zinc/04/46/55/347044655.db2.gz OYDBVQNBEDETIC-SNVBAGLBSA-N 0 3 252.318 2.093 20 5 CEBDHN Cc1ccc(CNCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000124302903 344313598 /nfs/dbraw/zinc/31/35/98/344313598.db2.gz ZRQQHYFASLAWFX-UHFFFAOYSA-N 0 3 252.314 2.011 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CCO ZINC000151948918 344423758 /nfs/dbraw/zinc/42/37/58/344423758.db2.gz VRCJDTXQFYHRQR-QWRGUYRKSA-N 0 3 252.314 2.325 20 5 CEBDHN CC[C@H]1CCCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602475332 347050156 /nfs/dbraw/zinc/05/01/56/347050156.db2.gz UCRCZQXGESTKQS-LBPRGKRZSA-N 0 3 266.345 2.483 20 5 CEBDHN CC[C@H](N)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229938636 344569820 /nfs/dbraw/zinc/56/98/20/344569820.db2.gz JILBGUVLJFVKHR-JTQLQIEISA-N 0 3 295.730 2.298 20 5 CEBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000589197012 345070619 /nfs/dbraw/zinc/07/06/19/345070619.db2.gz SZVIROAWSXYJIN-CSPWOOARSA-N 0 3 276.336 2.311 20 5 CEBDHN CN1C[C@H]2[C@@H](CCN2Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590010515 345109955 /nfs/dbraw/zinc/10/99/55/345109955.db2.gz MPWTWWCMUTXPEB-FZMZJTMJSA-N 0 3 295.770 2.384 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCC(C3(O)CC3)CC2)cc1 ZINC000593049261 345428387 /nfs/dbraw/zinc/42/83/87/345428387.db2.gz JLGVVHUUAUTMAQ-UHFFFAOYSA-N 0 3 290.363 2.374 20 5 CEBDHN C[C@H](CO)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000593080793 345434828 /nfs/dbraw/zinc/43/48/28/345434828.db2.gz ACRAEBYCQUHSLB-GFCCVEGCSA-N 0 3 278.352 2.435 20 5 CEBDHN O=[N+]([O-])c1ccc(CNCCC2(CO)CCC2)c(F)c1 ZINC000593693863 345522416 /nfs/dbraw/zinc/52/24/16/345522416.db2.gz RUFWXQQKGFUNPE-UHFFFAOYSA-N 0 3 282.315 2.376 20 5 CEBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CO)CCF ZINC000593718625 345526280 /nfs/dbraw/zinc/52/62/80/345526280.db2.gz NLGSQIMGMCNMMK-MNOVXSKESA-N 0 3 270.304 2.274 20 5 CEBDHN Cc1nn(C)c(N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594600472 345656993 /nfs/dbraw/zinc/65/69/93/345656993.db2.gz LJVGODVRDUISFQ-NWDGAFQWSA-N 0 3 293.371 2.066 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595102760 345742628 /nfs/dbraw/zinc/74/26/28/345742628.db2.gz JIEBKJBBFXCHCU-DLOVCJGASA-N 0 3 250.298 2.077 20 5 CEBDHN CO[C@@]1(C)C[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595107651 345743221 /nfs/dbraw/zinc/74/32/21/345743221.db2.gz PBYZMXAVTYDQKA-WQAKAFBOSA-N 0 3 250.298 2.423 20 5 CEBDHN CCN1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595308562 345759480 /nfs/dbraw/zinc/75/94/80/345759480.db2.gz KOVREQHLIIEFTC-UHFFFAOYSA-N 0 3 281.331 2.262 20 5 CEBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC1 ZINC000594954010 345715287 /nfs/dbraw/zinc/71/52/87/345715287.db2.gz VVRQQEFBSFMVKS-HIFRSBDPSA-N 0 3 294.351 2.044 20 5 CEBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000594968962 345719532 /nfs/dbraw/zinc/71/95/32/345719532.db2.gz XZMRPGDFKVMDDW-UVARLRKDSA-N 0 3 296.392 2.374 20 5 CEBDHN COCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595009659 345726045 /nfs/dbraw/zinc/72/60/45/345726045.db2.gz ZEEPQRGVXPHYDP-JTQLQIEISA-N 0 3 268.313 2.291 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@](C)(O)C1CC1 ZINC000595016080 345727599 /nfs/dbraw/zinc/72/75/99/345727599.db2.gz GZSZTGQNOZDNHB-ZUZCIYMTSA-N 0 3 294.351 2.415 20 5 CEBDHN C[C@H](N[C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056636 345736249 /nfs/dbraw/zinc/73/62/49/345736249.db2.gz OTIOMJFOALQJFG-HZMBPMFUSA-N 0 3 264.325 2.406 20 5 CEBDHN CO[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595061582 345737355 /nfs/dbraw/zinc/73/73/55/345737355.db2.gz RVHIQFKQRZNNFX-NJZAAPMLSA-N 0 3 294.351 2.297 20 5 CEBDHN C[C@]12COC[C@@H]1CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595756920 345868743 /nfs/dbraw/zinc/86/87/43/345868743.db2.gz HRINNXWCFPSHQD-JSGCOSHPSA-N 0 3 262.309 2.063 20 5 CEBDHN Cc1c(CN2C[C@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595759421 345869453 /nfs/dbraw/zinc/86/94/53/345869453.db2.gz PXNJZRSVSDHIDD-ZFWWWQNUSA-N 0 3 276.336 2.372 20 5 CEBDHN CCOc1cc(CN2CCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000595766523 345871295 /nfs/dbraw/zinc/87/12/95/345871295.db2.gz OODKKTHBOIFPFD-WCQYABFASA-N 0 3 294.351 2.339 20 5 CEBDHN CN(C)CCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596056362 345929582 /nfs/dbraw/zinc/92/95/82/345929582.db2.gz VVUSNCNPEMLOIN-UHFFFAOYSA-N 0 3 288.145 2.331 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)[C@H](N)C1 ZINC000595907379 345911199 /nfs/dbraw/zinc/91/11/99/345911199.db2.gz UASGYXVPKYSSMR-OASPWFOLSA-N 0 3 267.304 2.027 20 5 CEBDHN COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000596090935 345938033 /nfs/dbraw/zinc/93/80/33/345938033.db2.gz SDVJFBVDFMWILG-GFCCVEGCSA-N 0 3 291.351 2.390 20 5 CEBDHN CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138332 345949393 /nfs/dbraw/zinc/94/93/93/345949393.db2.gz IRSIXALRSOVPJV-LLVKDONJSA-N 0 3 294.355 2.006 20 5 CEBDHN CN(CC[C@H]1CCCC[N@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138332 345949395 /nfs/dbraw/zinc/94/93/95/345949395.db2.gz IRSIXALRSOVPJV-LLVKDONJSA-N 0 3 294.355 2.006 20 5 CEBDHN CCCN1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596230679 345975091 /nfs/dbraw/zinc/97/50/91/345975091.db2.gz CHHAIGJHIULIFS-JTQLQIEISA-N 0 3 298.774 2.351 20 5 CEBDHN CN(CCN(C)C1CC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596194424 345966415 /nfs/dbraw/zinc/96/64/15/345966415.db2.gz LAQLOXPUNXIMSK-UHFFFAOYSA-N 0 3 284.747 2.174 20 5 CEBDHN CC[C@H](NCCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000128331791 187364859 /nfs/dbraw/zinc/36/48/59/187364859.db2.gz FTTJIEKBKOXMAP-AWEZNQCLSA-N 0 3 291.351 2.162 20 5 CEBDHN O=[N+]([O-])c1ccc(CCN2CCCc3n[nH]cc3C2)cc1 ZINC000596597413 346062628 /nfs/dbraw/zinc/06/26/28/346062628.db2.gz RJWDKJAFZDCZMU-UHFFFAOYSA-N 0 3 286.335 2.309 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC[C@]2(C)C1 ZINC000597212333 346150213 /nfs/dbraw/zinc/15/02/13/346150213.db2.gz UNWHLEXDIKRFQJ-HIFRSBDPSA-N 0 3 276.336 2.372 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000597236177 346157666 /nfs/dbraw/zinc/15/76/66/346157666.db2.gz PCZROVKOVUVQNR-IUODEOHRSA-N 0 3 278.352 2.354 20 5 CEBDHN Cc1c(CN2CC[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000598645925 346391608 /nfs/dbraw/zinc/39/16/08/346391608.db2.gz QKGVQDSEPDVHND-SMDDNHRTSA-N 0 3 278.352 2.354 20 5 CEBDHN COCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598912239 346433229 /nfs/dbraw/zinc/43/32/29/346433229.db2.gz USTUBPYSLUGOKT-SECBINFHSA-N 0 3 279.296 2.251 20 5 CEBDHN CC(C)CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000598990473 346442511 /nfs/dbraw/zinc/44/25/11/346442511.db2.gz FULUBEQDPNOIET-ZDUSSCGKSA-N 0 3 266.341 2.482 20 5 CEBDHN Cn1cc(CN2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000602606224 347097588 /nfs/dbraw/zinc/09/75/88/347097588.db2.gz CUFHMKVYHDNYTP-LLVKDONJSA-N 0 3 266.345 2.196 20 5 CEBDHN CCc1nocc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000339236403 215031789 /nfs/dbraw/zinc/03/17/89/215031789.db2.gz HASJNFJQMZLNAL-UHFFFAOYSA-N 0 3 275.308 2.478 20 5 CEBDHN CC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000336807858 365843280 /nfs/dbraw/zinc/84/32/80/365843280.db2.gz AHVIVZVDFZXZOP-CYBMUJFWSA-N 0 3 270.304 2.375 20 5 CEBDHN C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000601169607 346775833 /nfs/dbraw/zinc/77/58/33/346775833.db2.gz DLXKHGSYLFMZEI-SNVBAGLBSA-N 0 3 294.330 2.049 20 5 CEBDHN Cc1c(CN2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000336813333 365853515 /nfs/dbraw/zinc/85/35/15/365853515.db2.gz UHLSVLGUGLVKPV-ZDUSSCGKSA-N 0 3 264.325 2.250 20 5 CEBDHN Cn1cc(CN2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602677098 347138925 /nfs/dbraw/zinc/13/89/25/347138925.db2.gz SFPVURCCKPWICV-NWDGAFQWSA-N 0 3 278.356 2.339 20 5 CEBDHN Cn1cc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC000602685466 347145079 /nfs/dbraw/zinc/14/50/79/347145079.db2.gz GXOMHNLWZJDTRT-CQROYNQRSA-N 0 3 290.367 2.196 20 5 CEBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000295960377 136689832 /nfs/dbraw/zinc/68/98/32/136689832.db2.gz JIXYCLALEATCPU-NSHDSACASA-N 0 3 278.356 2.219 20 5 CEBDHN C[C@@H](NC[C@@H]1CCc2ncnn21)c1ccccc1[N+](=O)[O-] ZINC000602804595 347206896 /nfs/dbraw/zinc/20/68/96/347206896.db2.gz KEEQNPHVVKBTRN-MNOVXSKESA-N 0 3 287.323 2.024 20 5 CEBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000602744079 347182809 /nfs/dbraw/zinc/18/28/09/347182809.db2.gz OERLUWAGXPMUOU-LDYMZIIASA-N 0 3 292.257 2.039 20 5 CEBDHN CCN(Cc1cn(C)nc1[N+](=O)[O-])C1CCCCC1 ZINC000602761335 347187532 /nfs/dbraw/zinc/18/75/32/347187532.db2.gz BLXFALRIXWPEFJ-UHFFFAOYSA-N 0 3 266.345 2.483 20 5 CEBDHN CC[C@H](NCC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085982676 179209908 /nfs/dbraw/zinc/20/99/08/179209908.db2.gz HICNWSVICORTIO-MFKMUULPSA-N 0 3 252.314 2.406 20 5 CEBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)c(Cl)c1 ZINC000603419319 347365858 /nfs/dbraw/zinc/36/58/58/347365858.db2.gz LPHKZTFCXYIZEI-MRVPVSSYSA-N 0 3 287.772 2.365 20 5 CEBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H]2CCC[C@H]21 ZINC000610585255 347694421 /nfs/dbraw/zinc/69/44/21/347694421.db2.gz HNMKCNDODRXQJD-VXGBXAGGSA-N 0 3 262.309 2.458 20 5 CEBDHN C[C@H](N[C@@H](CO)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611337420 347767459 /nfs/dbraw/zinc/76/74/59/347767459.db2.gz CGYMIXUSZWYCDI-GXFFZTMASA-N 0 3 264.325 2.406 20 5 CEBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1C ZINC000611222081 347753423 /nfs/dbraw/zinc/75/34/23/347753423.db2.gz ZCUFKNSQWIHMDA-GHMZBOCLSA-N 0 3 278.356 2.217 20 5 CEBDHN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)C ZINC000273411611 192141888 /nfs/dbraw/zinc/14/18/88/192141888.db2.gz KTOQVPDMWGGIHD-VAWYXSNFSA-N 0 3 291.351 2.018 20 5 CEBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CN1C1CC1 ZINC000357518836 233087087 /nfs/dbraw/zinc/08/70/87/233087087.db2.gz AIGSXHWGAJNBOB-ONGXEEELSA-N 0 3 262.313 2.027 20 5 CEBDHN O=[N+]([O-])c1ncccc1NC[C@@H]1CCCCN1C1CC1 ZINC000617976686 348843059 /nfs/dbraw/zinc/84/30/59/348843059.db2.gz TUBMSDPWJUKOJX-LBPRGKRZSA-N 0 3 276.340 2.419 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000339538168 215234497 /nfs/dbraw/zinc/23/44/97/215234497.db2.gz JLWZDYKMGIGAPI-LBPRGKRZSA-N 0 3 270.304 2.373 20 5 CEBDHN COc1cc([N+](=O)[O-])ccc1CNC1(CO)CCCCC1 ZINC000619531786 349194530 /nfs/dbraw/zinc/19/45/30/349194530.db2.gz OVOQBWJBMDZADQ-UHFFFAOYSA-N 0 3 294.351 2.388 20 5 CEBDHN Cc1noc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000089517944 179808710 /nfs/dbraw/zinc/80/87/10/179808710.db2.gz OAJODARIMHCNTE-JTQLQIEISA-N 0 3 290.323 2.488 20 5 CEBDHN Cc1c([C@H](C)N[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000090774024 180038530 /nfs/dbraw/zinc/03/85/30/180038530.db2.gz JJCMPJZQGFCINQ-QWRGUYRKSA-N 0 3 250.298 2.343 20 5 CEBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)N(C)C)C1 ZINC000411937107 233302892 /nfs/dbraw/zinc/30/28/92/233302892.db2.gz LTXSSQBGYQSSNZ-DGCLKSJQSA-N 0 3 291.351 2.066 20 5 CEBDHN C[C@@H]1[C@@H](CO)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000412061933 233326084 /nfs/dbraw/zinc/32/60/84/233326084.db2.gz ANLZDWHTYGTCMK-CHWSQXEVSA-N 0 3 294.351 2.066 20 5 CEBDHN CCN1CCCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000104954532 186034441 /nfs/dbraw/zinc/03/44/41/186034441.db2.gz NXVUDAPYYLWJTI-UHFFFAOYSA-N 0 3 277.368 2.431 20 5 CEBDHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000091673463 180224528 /nfs/dbraw/zinc/22/45/28/180224528.db2.gz WPQGPKLFMIOUPP-ZIAGYGMSSA-N 0 3 291.351 2.178 20 5 CEBDHN Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000091673468 180224794 /nfs/dbraw/zinc/22/47/94/180224794.db2.gz WPQGPKLFMIOUPP-KGLIPLIRSA-N 0 3 291.351 2.178 20 5 CEBDHN CC(C)[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092393840 180376012 /nfs/dbraw/zinc/37/60/12/180376012.db2.gz MSFBTQAKJLQLLM-ZWNOBZJWSA-N 0 3 252.314 2.262 20 5 CEBDHN COc1cc(CN(C)C2CC(OC)C2)ccc1[N+](=O)[O-] ZINC000352193771 219356282 /nfs/dbraw/zinc/35/62/82/219356282.db2.gz FURWOATZNPOYSP-UHFFFAOYSA-N 0 3 280.324 2.213 20 5 CEBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000069223870 362957806 /nfs/dbraw/zinc/95/78/06/362957806.db2.gz KSSQBLKIKMRFRP-SNVBAGLBSA-N 0 3 292.339 2.199 20 5 CEBDHN CCOCCN(CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000107680385 186184750 /nfs/dbraw/zinc/18/47/50/186184750.db2.gz GKZLETFGCHRTPP-UHFFFAOYSA-N 0 3 266.341 2.496 20 5 CEBDHN CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000271403401 191118196 /nfs/dbraw/zinc/11/81/96/191118196.db2.gz WEXOUWWWNQGAMO-SPYVTISKSA-N 0 3 276.336 2.311 20 5 CEBDHN CC(C)[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131330420 366043178 /nfs/dbraw/zinc/04/31/78/366043178.db2.gz HYWLWBBXZVYSGF-MFKMUULPSA-N 0 3 252.314 2.262 20 5 CEBDHN CC[C@@H](N[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000122886042 187057739 /nfs/dbraw/zinc/05/77/39/187057739.db2.gz PWEGMBBSFCJUNJ-GXFFZTMASA-N 0 3 252.314 2.406 20 5 CEBDHN CC(C)N(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291946389 198113939 /nfs/dbraw/zinc/11/39/39/198113939.db2.gz UJHJYFLYYXFPIX-CYBMUJFWSA-N 0 3 294.351 2.473 20 5 CEBDHN CCn1cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000072980985 363189639 /nfs/dbraw/zinc/18/96/39/363189639.db2.gz OPWMRBZGVSXAHQ-UHFFFAOYSA-N 0 3 288.351 2.486 20 5 CEBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000271591826 191229438 /nfs/dbraw/zinc/22/94/38/191229438.db2.gz GPVCFIOGVNPMSN-IINYFYTJSA-N 0 3 261.325 2.489 20 5 CEBDHN Cc1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1[N+](=O)[O-] ZINC000136128791 187866177 /nfs/dbraw/zinc/86/61/77/187866177.db2.gz AEWSNDAYTJTCEU-CQSZACIVSA-N 0 3 277.324 2.374 20 5 CEBDHN C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154385996 188138424 /nfs/dbraw/zinc/13/84/24/188138424.db2.gz UEIPZBDDLOQTRQ-MFKMUULPSA-N 0 3 250.298 2.113 20 5 CEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CC=CCC1 ZINC000569378717 299199610 /nfs/dbraw/zinc/19/96/10/299199610.db2.gz ZPCNMUXLXCHDRZ-HNNXBMFYSA-N 0 3 287.363 2.434 20 5 CEBDHN C[C@@H](NCC[C@H]1CCOC1=O)c1ccccc1[N+](=O)[O-] ZINC000271708145 191285951 /nfs/dbraw/zinc/28/59/51/191285951.db2.gz IOPVUSDFWFJBIJ-MNOVXSKESA-N 0 3 278.308 2.199 20 5 CEBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCCO)C2)cc1 ZINC000451548029 283030549 /nfs/dbraw/zinc/03/05/49/283030549.db2.gz MALMZGHCHNGSQX-ZDUSSCGKSA-N 0 3 264.325 2.157 20 5 CEBDHN Cc1ccc([C@@H](C)NCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000271767898 191316032 /nfs/dbraw/zinc/31/60/32/191316032.db2.gz HUNQJRNLNIELBF-GFCCVEGCSA-N 0 3 291.351 2.176 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000364986294 283078976 /nfs/dbraw/zinc/07/89/76/283078976.db2.gz LCOAZHSTFGENBS-YGRLFVJLSA-N 0 3 279.315 2.264 20 5 CEBDHN CC[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000272129794 191530783 /nfs/dbraw/zinc/53/07/83/191530783.db2.gz RXGWGBLZKCWNQC-PWSUYJOCSA-N 0 3 279.340 2.112 20 5 CEBDHN CCC[C@@H](C)[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000570216640 299246187 /nfs/dbraw/zinc/24/61/87/299246187.db2.gz SAVBJLDBPQKTDU-YPMHNXCESA-N 0 3 296.367 2.490 20 5 CEBDHN CC(C)[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000134549802 366337669 /nfs/dbraw/zinc/33/76/69/366337669.db2.gz RQXIHZJQCBMVQS-ZDUSSCGKSA-N 0 3 252.314 2.091 20 5 CEBDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000134644485 366349107 /nfs/dbraw/zinc/34/91/07/366349107.db2.gz GGLUDHXQHYOQSC-GMXVVIOVSA-N 0 3 262.309 2.182 20 5 CEBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000338461586 366368540 /nfs/dbraw/zinc/36/85/40/366368540.db2.gz MXRWVSQWHVPXOS-UHFFFAOYSA-N 0 3 291.351 2.117 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000338707832 366482606 /nfs/dbraw/zinc/48/26/06/366482606.db2.gz UBEXSUQNALISFY-OAHLLOKOSA-N 0 3 293.367 2.380 20 5 CEBDHN CC[C@H]1CN(C)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000578501062 366503424 /nfs/dbraw/zinc/50/34/24/366503424.db2.gz VYNQTJPGQOEFGX-ZDUSSCGKSA-N 0 3 293.367 2.129 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)cnc1NCCN1CCCC1 ZINC000148518974 366583686 /nfs/dbraw/zinc/58/36/86/366583686.db2.gz TVTCQVQDICVYGY-UHFFFAOYSA-N 0 3 270.720 2.151 20 5 CEBDHN O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)c2ccccc21 ZINC000080760561 363682334 /nfs/dbraw/zinc/68/23/34/363682334.db2.gz CFHOTHRPOXJFPB-LLVKDONJSA-N 0 3 288.303 2.115 20 5 CEBDHN CCOC[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000081521067 363725294 /nfs/dbraw/zinc/72/52/94/363725294.db2.gz DCZCLOWXXOEBJE-CYBMUJFWSA-N 0 3 294.351 2.332 20 5 CEBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCOC1 ZINC000178352175 189109237 /nfs/dbraw/zinc/10/92/37/189109237.db2.gz HPQPYPBIQLMYRG-GFCCVEGCSA-N 0 3 294.351 2.462 20 5 CEBDHN CN(C)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730435 363784988 /nfs/dbraw/zinc/78/49/88/363784988.db2.gz GSKPHWIKVWKEKE-UHFFFAOYSA-N 0 3 288.145 2.331 20 5 CEBDHN Cc1ccc(NC(=O)[C@H]2CCCCCN2)cc1[N+](=O)[O-] ZINC000083896483 363790423 /nfs/dbraw/zinc/79/04/23/363790423.db2.gz QFYLQULZPKELPA-GFCCVEGCSA-N 0 3 277.324 2.374 20 5 CEBDHN Cc1cnc(CCNCc2cccc([N+](=O)[O-])c2)nc1 ZINC000340103245 366771833 /nfs/dbraw/zinc/77/18/33/366771833.db2.gz ADLVCNJYAQEFMQ-UHFFFAOYSA-N 0 3 272.308 2.026 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000089168857 363945869 /nfs/dbraw/zinc/94/58/69/363945869.db2.gz SFFCKWKQRVKMQW-GXFFZTMASA-N 0 3 284.743 2.499 20 5 CEBDHN Cc1ccnc(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795124 364063999 /nfs/dbraw/zinc/06/39/99/364063999.db2.gz PHJOOSZOQRTXQO-GHMZBOCLSA-N 0 3 264.329 2.193 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)O ZINC000094774965 364295251 /nfs/dbraw/zinc/29/52/51/364295251.db2.gz FKROMHLPFIHGHG-UHFFFAOYSA-N 0 3 270.304 2.327 20 5 CEBDHN C[C@@H](CCO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000097441330 364500655 /nfs/dbraw/zinc/50/06/55/364500655.db2.gz HRDLJXKVBGJXFS-VIFPVBQESA-N 0 3 272.732 2.356 20 5 CEBDHN CS[C@H](CO)[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572303062 299357657 /nfs/dbraw/zinc/35/76/57/299357657.db2.gz XYXDWFKLAIPEIM-DUFXMDAXSA-N 0 3 296.392 2.284 20 5 CEBDHN CCOC(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000159286694 366897847 /nfs/dbraw/zinc/89/78/47/366897847.db2.gz JROLRTXRZNBBSD-UHFFFAOYSA-N 0 3 252.314 2.500 20 5 CEBDHN CCCN1CCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000342559016 367421761 /nfs/dbraw/zinc/42/17/61/367421761.db2.gz FAPFSEIICQCNEH-CQSZACIVSA-N 0 3 291.351 2.085 20 5 CEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCO1 ZINC000342611355 367450093 /nfs/dbraw/zinc/45/00/93/367450093.db2.gz XYXYGGYBSIGEQX-CQSZACIVSA-N 0 3 294.351 2.475 20 5 CEBDHN C[C@H]1CCC[C@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000174846222 368072752 /nfs/dbraw/zinc/07/27/52/368072752.db2.gz FYCXCYFBJCWFIK-QWRGUYRKSA-N 0 3 252.318 2.054 20 5 CEBDHN Cc1ccc([C@H](C)N[C@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000345060588 368142368 /nfs/dbraw/zinc/14/23/68/368142368.db2.gz MAVQXMIIIDSDPY-SCRDCRAPSA-N 0 3 276.336 2.491 20 5 CEBDHN CN(CCN(C)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000186750156 369033626 /nfs/dbraw/zinc/03/36/26/369033626.db2.gz HQHWIJRYKXCDMU-UHFFFAOYSA-N 0 3 263.341 2.121 20 5 CEBDHN CCOc1cc(CN(CCO)CC2CC2)ccc1[N+](=O)[O-] ZINC000352450613 369736969 /nfs/dbraw/zinc/73/69/69/369736969.db2.gz SATCLQJQOMZPFU-UHFFFAOYSA-N 0 3 294.351 2.198 20 5 CEBDHN COc1cc(CN[C@@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000352708731 369848086 /nfs/dbraw/zinc/84/80/86/369848086.db2.gz XMDRGIXCXHAUDY-ZDUSSCGKSA-N 0 3 294.351 2.244 20 5 CEBDHN C[C@H](CCO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192882690 369866899 /nfs/dbraw/zinc/86/68/99/369866899.db2.gz DAXYOUAAQQMCTI-YGRLFVJLSA-N 0 3 264.325 2.333 20 5 CEBDHN CCOc1cc(CN[C@](C)(CO)C(C)C)ccc1[N+](=O)[O-] ZINC000352889877 369934056 /nfs/dbraw/zinc/93/40/56/369934056.db2.gz BGTSUALDMUGPGV-OAHLLOKOSA-N 0 3 296.367 2.490 20 5 CEBDHN CC[C@@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331124927 203557779 /nfs/dbraw/zinc/55/77/79/203557779.db2.gz OJOFCTSYKROBNA-MNOVXSKESA-N 0 3 266.345 2.387 20 5 CEBDHN Cc1c(CN[C@@H](C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000228591461 370408279 /nfs/dbraw/zinc/40/82/79/370408279.db2.gz FATYDUDPFQLRBJ-ONGXEEELSA-N 0 3 252.314 2.010 20 5 CEBDHN CC[C@@](C)(CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000230222911 370446434 /nfs/dbraw/zinc/44/64/34/370446434.db2.gz LMYTVVGCENMULN-AWEZNQCLSA-N 0 3 282.340 2.244 20 5 CEBDHN CC(C)[C@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000230688469 370464339 /nfs/dbraw/zinc/46/43/39/370464339.db2.gz HRHWCGJCCDDUDW-JTQLQIEISA-N 0 3 258.343 2.153 20 5 CEBDHN C[C@H]1OCC[C@]1(C)NCc1ccccc1[N+](=O)[O-] ZINC000235654199 370572550 /nfs/dbraw/zinc/57/25/50/370572550.db2.gz BDHDCBLTQNXMES-MFKMUULPSA-N 0 3 250.298 2.252 20 5 CEBDHN COC(=O)CCC(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000358427251 371061975 /nfs/dbraw/zinc/06/19/75/371061975.db2.gz MYSDVVIRGXSBAR-UHFFFAOYSA-N 0 3 280.324 2.416 20 5 CEBDHN C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249592394 371344047 /nfs/dbraw/zinc/34/40/47/371344047.db2.gz VUGCVANEPHSRLA-SWLSCSKDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H]1C[C@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000344138168 217067810 /nfs/dbraw/zinc/06/78/10/217067810.db2.gz XEXVTZINBDWBQT-QWHCGFSZSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1cnc(N[C@H]2CN(C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268208326 372090828 /nfs/dbraw/zinc/09/08/28/372090828.db2.gz YXACFJBCEBFOSE-JQWIXIFHSA-N 0 3 276.340 2.193 20 5 CEBDHN C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2F)CCCN1C ZINC000344327132 217152042 /nfs/dbraw/zinc/15/20/42/217152042.db2.gz JIEGHMWVPWCXHK-QMTHXVAHSA-N 0 3 281.331 2.306 20 5 CEBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269413620 372443476 /nfs/dbraw/zinc/44/34/76/372443476.db2.gz XNLIAYUBWNRMFP-GXSJLCMTSA-N 0 3 298.774 2.420 20 5 CEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000270085214 372659066 /nfs/dbraw/zinc/65/90/66/372659066.db2.gz JPIBZGMVEDQPLM-SWLSCSKDSA-N 0 3 294.351 2.066 20 5 CEBDHN C[C@H]1CCN(C)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353436138 220081174 /nfs/dbraw/zinc/08/11/74/220081174.db2.gz BEEKBSMINGZGOA-LBPRGKRZSA-N 0 3 263.341 2.121 20 5 CEBDHN CC[C@@H](O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573505322 299442874 /nfs/dbraw/zinc/44/28/74/299442874.db2.gz DYNPDFRUMSAILV-ZWNOBZJWSA-N 0 3 264.325 2.333 20 5 CEBDHN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1 ZINC000371159610 373803295 /nfs/dbraw/zinc/80/32/95/373803295.db2.gz FIPCMNODIABHBB-YIONKMFJSA-N 0 3 276.336 2.473 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCOC[C@@H](C)C1 ZINC000371893152 374000697 /nfs/dbraw/zinc/00/06/97/374000697.db2.gz DORJRJYLVBLYKN-NSHDSACASA-N 0 3 264.325 2.372 20 5 CEBDHN CC(C)(O)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000274737735 374032878 /nfs/dbraw/zinc/03/28/78/374032878.db2.gz JBTMIEPPSUKLFG-UHFFFAOYSA-N 0 3 272.732 2.499 20 5 CEBDHN CCOc1cc(CN(C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000276984418 374369160 /nfs/dbraw/zinc/36/91/60/374369160.db2.gz YYWFKHSPBLCBRY-UHFFFAOYSA-N 0 3 282.340 2.196 20 5 CEBDHN CC[C@H]1[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1C ZINC000385756070 375242458 /nfs/dbraw/zinc/24/24/58/375242458.db2.gz WZMDEJSYNAHOKP-KBPBESRZSA-N 0 3 278.352 2.496 20 5 CEBDHN Cc1c(CN2CC[C@H](CO)[C@H]2C)cccc1[N+](=O)[O-] ZINC000385897439 375248243 /nfs/dbraw/zinc/24/82/43/375248243.db2.gz OCYJJVXNBFTJAM-DGCLKSJQSA-N 0 3 264.325 2.106 20 5 CEBDHN CC[C@@H](NC(COC)COC)c1cccc([N+](=O)[O-])c1 ZINC000388394742 375290471 /nfs/dbraw/zinc/29/04/71/375290471.db2.gz GSCVHLFMZDKGJJ-CQSZACIVSA-N 0 3 282.340 2.297 20 5 CEBDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1c([N+](=O)[O-])ncn1C ZINC000408310342 375449688 /nfs/dbraw/zinc/44/96/88/375449688.db2.gz RKZNIFKJGNMHQN-UTUOFQBUSA-N 0 3 278.356 2.481 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414535670 375840820 /nfs/dbraw/zinc/84/08/20/375840820.db2.gz WQKDHPJUEXPQBC-UONOGXRCSA-N 0 3 266.341 2.480 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCNC[C@@](C)(F)C1 ZINC000414777869 375964043 /nfs/dbraw/zinc/96/40/43/375964043.db2.gz OZVPLADZNHJEMU-CQSZACIVSA-N 0 3 281.331 2.037 20 5 CEBDHN CS[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000286568165 375998417 /nfs/dbraw/zinc/99/84/17/375998417.db2.gz RFJACRBJBRTHEF-NWDGAFQWSA-N 0 3 299.371 2.216 20 5 CEBDHN C[C@H](CC(N)=O)N[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417316236 376187365 /nfs/dbraw/zinc/18/73/65/376187365.db2.gz UCNDRQGULFUBOM-YGRLFVJLSA-N 0 3 291.351 2.216 20 5 CEBDHN Cc1ccc([C@@H](C)NCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000287420941 376227854 /nfs/dbraw/zinc/22/78/54/376227854.db2.gz SFIRUENLHWUMQV-GFCCVEGCSA-N 0 3 296.367 2.341 20 5 CEBDHN Cc1nnc(CCNCc2ccc([N+](=O)[O-])cc2C)s1 ZINC000289999878 376596441 /nfs/dbraw/zinc/59/64/41/376596441.db2.gz YCIHSWXLGRSQQM-UHFFFAOYSA-N 0 3 292.364 2.395 20 5 CEBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CN1CCCCC1 ZINC000313802916 376754116 /nfs/dbraw/zinc/75/41/16/376754116.db2.gz GLXUFERDEZCWMC-LLVKDONJSA-N 0 3 295.387 2.406 20 5 CEBDHN C[C@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])CN1C1CC1 ZINC000290831888 376945598 /nfs/dbraw/zinc/94/55/98/376945598.db2.gz URXBELLAUQPDTA-ONGXEEELSA-N 0 3 276.340 2.214 20 5 CEBDHN CO[C@@](C)(CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291015263 377032084 /nfs/dbraw/zinc/03/20/84/377032084.db2.gz FRNHVNMPQUJBJT-AWEZNQCLSA-N 0 3 264.325 2.500 20 5 CEBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)OC ZINC000291150274 377092232 /nfs/dbraw/zinc/09/22/32/377092232.db2.gz DPCXRWKLNHSIMW-LBPRGKRZSA-N 0 3 282.340 2.330 20 5 CEBDHN CCN1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264765482 190133347 /nfs/dbraw/zinc/13/33/47/190133347.db2.gz NNEGHSKEFOOZPQ-LLVKDONJSA-N 0 3 297.380 2.261 20 5 CEBDHN C[C@H](CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])[S@](C)=O ZINC000563415590 377215589 /nfs/dbraw/zinc/21/55/89/377215589.db2.gz DJTCDSQDPDRVBX-MZJFNTNISA-N 0 3 296.392 2.329 20 5 CEBDHN COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H](C)C1 ZINC000563421689 377218854 /nfs/dbraw/zinc/21/88/54/377218854.db2.gz PWSWGWOGUNYWHE-QWRGUYRKSA-N 0 3 279.340 2.498 20 5 CEBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C)C1 ZINC000331135120 377295747 /nfs/dbraw/zinc/29/57/47/377295747.db2.gz IAHQLYFMVBUTQE-JTNHKYCSSA-N 0 3 264.325 2.359 20 5 CEBDHN CC[C@@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000425917195 377388441 /nfs/dbraw/zinc/38/84/41/377388441.db2.gz JWZIHPTXWIQYHL-CQSZACIVSA-N 0 3 264.325 2.250 20 5 CEBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000293045551 377405848 /nfs/dbraw/zinc/40/58/48/377405848.db2.gz RDDRXAZFEYISLS-GFCCVEGCSA-N 0 3 252.314 2.234 20 5 CEBDHN C[C@H]1CCC[C@@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000293167590 377454598 /nfs/dbraw/zinc/45/45/98/377454598.db2.gz VYIOWEFAPDXSFY-SMDDNHRTSA-N 0 3 264.325 2.236 20 5 CEBDHN CC(=O)c1ccc(N2CC[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000265023415 190153160 /nfs/dbraw/zinc/15/31/60/190153160.db2.gz YQCLVGFGOVIQAF-LBPRGKRZSA-N 0 3 291.351 2.185 20 5 CEBDHN Cc1nocc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000293689170 377699777 /nfs/dbraw/zinc/69/97/77/377699777.db2.gz WFMOAUFTFJFODY-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN Cc1ccc(CN2CCC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000294042007 377884044 /nfs/dbraw/zinc/88/40/44/377884044.db2.gz OZHWCZSAFPKQIN-ZDUSSCGKSA-N 0 3 278.352 2.498 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](O)CC1 ZINC000294066354 377892316 /nfs/dbraw/zinc/89/23/16/377892316.db2.gz QICPKDPRTFPVDM-BOTMBNHJSA-N 0 3 276.336 2.455 20 5 CEBDHN C[C@@H](N[C@H](CO)CC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294320005 377979263 /nfs/dbraw/zinc/97/92/63/377979263.db2.gz OHPKBNZXUADGNG-MFKMUULPSA-N 0 3 293.367 2.379 20 5 CEBDHN C[C@H](CNc1ncc([N+](=O)[O-])s1)N1CCCC[C@H]1C ZINC000443515063 378058374 /nfs/dbraw/zinc/05/83/74/378058374.db2.gz JDUGIPDOIHKPJX-NXEZZACHSA-N 0 3 284.385 2.148 20 5 CEBDHN CCC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000295293348 378089377 /nfs/dbraw/zinc/08/93/77/378089377.db2.gz JLWQJPUOHIGAAC-AWEZNQCLSA-N 0 3 266.341 2.230 20 5 CEBDHN C[C@H](NC(=O)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295450130 378163192 /nfs/dbraw/zinc/16/31/92/378163192.db2.gz WOEGXXDUOASEIA-NSHDSACASA-N 0 3 291.351 2.114 20 5 CEBDHN Cc1nc(N[C@@H]2CCN(C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450314723 378352208 /nfs/dbraw/zinc/35/22/08/378352208.db2.gz CMWOMYCVZBVHKP-LLVKDONJSA-N 0 3 291.355 2.122 20 5 CEBDHN CCOc1ccc([C@@H](C)N[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000296088844 378414531 /nfs/dbraw/zinc/41/45/31/378414531.db2.gz XZGUTXNORIATKB-JLLWLGSASA-N 0 3 280.324 2.167 20 5 CEBDHN Cc1cnc(N(C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000450953436 378660267 /nfs/dbraw/zinc/66/02/67/378660267.db2.gz KXPQWHCXPGJABS-GFCCVEGCSA-N 0 3 278.356 2.217 20 5 CEBDHN COCCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000299229277 378937157 /nfs/dbraw/zinc/93/71/57/378937157.db2.gz FPFNIPHXMFAAEU-UHFFFAOYSA-N 0 3 279.340 2.118 20 5 CEBDHN CC1(C)CCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000457069333 379650208 /nfs/dbraw/zinc/65/02/08/379650208.db2.gz FKYSWKUEPQYYTI-UHFFFAOYSA-N 0 3 291.351 2.199 20 5 CEBDHN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000305206583 379683331 /nfs/dbraw/zinc/68/33/31/379683331.db2.gz YEDHTKDJNUVZFN-BXUZGUMPSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000457087080 379659409 /nfs/dbraw/zinc/65/94/09/379659409.db2.gz PSWYRTPMPSJGJG-AWEZNQCLSA-N 0 3 291.351 2.150 20 5 CEBDHN C[C@H]1CCC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279223777 194339732 /nfs/dbraw/zinc/33/97/32/194339732.db2.gz IINWHBIAQHYKGF-FZMZJTMJSA-N 0 3 291.351 2.336 20 5 CEBDHN O=[N+]([O-])c1ccc(F)cc1N1CCN2CCC[C@@H]2C1 ZINC000302815884 285118966 /nfs/dbraw/zinc/11/89/66/285118966.db2.gz KYGGOVNRHMUUJT-LLVKDONJSA-N 0 3 265.288 2.018 20 5 CEBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)N(C)C ZINC000288438367 197078336 /nfs/dbraw/zinc/07/83/36/197078336.db2.gz NBDMZGSUYFEJBP-SECBINFHSA-N 0 3 265.313 2.159 20 5 CEBDHN Cc1cc([N+](=O)[O-])ccc1CNCCOCC(F)F ZINC000190889772 130158576 /nfs/dbraw/zinc/15/85/76/130158576.db2.gz HVSZSJSWZCSGBX-UHFFFAOYSA-N 0 3 274.267 2.275 20 5 CEBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCOC1 ZINC000237952870 131068483 /nfs/dbraw/zinc/06/84/83/131068483.db2.gz HUWQXZNASULERJ-YIALFULDSA-N 0 3 262.309 2.377 20 5 CEBDHN CCOC[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000044691238 394508191 /nfs/dbraw/zinc/50/81/91/394508191.db2.gz UZUCMDBLCMLFAF-NSHDSACASA-N 0 3 252.314 2.418 20 5 CEBDHN CC(C)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000067948679 394581163 /nfs/dbraw/zinc/58/11/63/394581163.db2.gz RFHLFOGDBZRKOS-UHFFFAOYSA-N 0 3 263.341 2.373 20 5 CEBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000356174356 394553972 /nfs/dbraw/zinc/55/39/72/394553972.db2.gz SZYGJSCIYNXCJV-SNVBAGLBSA-N 0 3 296.346 2.460 20 5 CEBDHN CC(C)[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092394128 394660791 /nfs/dbraw/zinc/66/07/91/394660791.db2.gz LPNQNTJOSJTDMV-GXFFZTMASA-N 0 3 252.314 2.262 20 5 CEBDHN CN(C)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332737024 394638756 /nfs/dbraw/zinc/63/87/56/394638756.db2.gz VYIHLTHPMYDHST-CQSZACIVSA-N 0 3 263.341 2.123 20 5 CEBDHN C[C@@H](O)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000264405774 394639986 /nfs/dbraw/zinc/63/99/86/394639986.db2.gz IRINLVXCLMIAHI-IUODEOHRSA-N 0 3 294.351 2.209 20 5 CEBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000264473432 394640562 /nfs/dbraw/zinc/64/05/62/394640562.db2.gz RIJKDYYAAAOOFW-LLVKDONJSA-N 0 3 252.314 2.186 20 5 CEBDHN COc1ccc(CN2CCN(C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000357008807 394680577 /nfs/dbraw/zinc/68/05/77/394680577.db2.gz UXNGPHLQDGGMFD-RYUDHWBXSA-N 0 3 293.367 2.128 20 5 CEBDHN C[C@H](N[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000103963660 394716826 /nfs/dbraw/zinc/71/68/26/394716826.db2.gz REWPPHCKZACSLO-CMPLNLGQSA-N 0 3 250.298 2.424 20 5 CEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000270107105 394726091 /nfs/dbraw/zinc/72/60/91/394726091.db2.gz MBXBAKZUHQXINV-OCCSQVGLSA-N 0 3 264.325 2.188 20 5 CEBDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423851447 395002903 /nfs/dbraw/zinc/00/29/03/395002903.db2.gz SCUTVKXXJIOCTC-LLVKDONJSA-N 0 3 299.758 2.238 20 5 CEBDHN CC1(C)[C@H](O)C[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000494477671 395116560 /nfs/dbraw/zinc/11/65/60/395116560.db2.gz SVFWZKMDGWBPQQ-KMVAXQJASA-N 0 3 276.336 2.357 20 5 CEBDHN COC(=O)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000347197968 395120693 /nfs/dbraw/zinc/12/06/93/395120693.db2.gz IITNFIRUQBMYMI-RISCZKNCSA-N 0 3 292.335 2.021 20 5 CEBDHN C[C@H]1C[C@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000408358229 395298805 /nfs/dbraw/zinc/29/88/05/395298805.db2.gz DQLGFKROSCVHBZ-NWDGAFQWSA-N 0 3 291.351 2.163 20 5 CEBDHN O=[N+]([O-])c1ccn(CCN2CCSC[C@H]2C2CCC2)n1 ZINC000419364226 395264814 /nfs/dbraw/zinc/26/48/14/395264814.db2.gz POZCXFKYLVQUOH-LBPRGKRZSA-N 0 3 296.396 2.009 20 5 CEBDHN Cc1ccc(CNCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184376486 395272009 /nfs/dbraw/zinc/27/20/09/395272009.db2.gz MDXNZMWKRSZIRT-UHFFFAOYSA-N 0 3 264.325 2.155 20 5 CEBDHN COc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)c1 ZINC000420629437 395393143 /nfs/dbraw/zinc/39/31/43/395393143.db2.gz CFPKZUQGUGAZBM-LLVKDONJSA-N 0 3 279.340 2.134 20 5 CEBDHN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000449508283 395551909 /nfs/dbraw/zinc/55/19/09/395551909.db2.gz UXSGCBITSIFMIB-SMDDNHRTSA-N 0 3 264.325 2.452 20 5 CEBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H](C)O ZINC000449544286 395554399 /nfs/dbraw/zinc/55/43/99/395554399.db2.gz QEMPRTRHRVEFKE-GWCFXTLKSA-N 0 3 252.314 2.152 20 5 CEBDHN Cc1cc(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000302757882 154190711 /nfs/dbraw/zinc/19/07/11/154190711.db2.gz JGPYKGZISOSEAA-UHFFFAOYSA-N 0 3 261.325 2.188 20 5 CEBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000367479342 156191652 /nfs/dbraw/zinc/19/16/52/156191652.db2.gz UYTNFZLTHBATLG-LBPRGKRZSA-N 0 3 278.356 2.303 20 5 CEBDHN CC(C)[C@@]1(CO)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000368075086 156277961 /nfs/dbraw/zinc/27/79/61/156277961.db2.gz PWFYLLKXOQZRHP-HNNXBMFYSA-N 0 3 278.352 2.435 20 5 CEBDHN N=C(NO)[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000368527506 156362455 /nfs/dbraw/zinc/36/24/55/156362455.db2.gz UFPVYJLVIBONIA-LBPRGKRZSA-N 0 3 296.302 2.044 20 5 CEBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCCO1 ZINC000035247562 172078937 /nfs/dbraw/zinc/07/89/37/172078937.db2.gz NMWPTKWMYLGNSW-MFKMUULPSA-N 0 3 280.324 2.261 20 5 CEBDHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285338430 196254564 /nfs/dbraw/zinc/25/45/64/196254564.db2.gz URMGKHKYQXZCMA-AEJSXWLSSA-N 0 3 267.329 2.251 20 5 CEBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccnc(N)c1 ZINC000285371877 196264522 /nfs/dbraw/zinc/26/45/22/196264522.db2.gz QZUAYBQIEPEDIK-UHFFFAOYSA-N 0 3 286.335 2.247 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2CC2)c(Cl)c1 ZINC000071304612 176115229 /nfs/dbraw/zinc/11/52/29/176115229.db2.gz KCTMJOJMGOJVRS-GFCCVEGCSA-N 0 3 270.716 2.109 20 5 CEBDHN C[C@@H](CO)[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077423393 177265815 /nfs/dbraw/zinc/26/58/15/177265815.db2.gz OVAIGVBVIPSSSQ-IUCAKERBSA-N 0 3 272.732 2.355 20 5 CEBDHN C[C@@H](O)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000078781814 177387693 /nfs/dbraw/zinc/38/76/93/177387693.db2.gz DLPKKGUPIGMLFS-MRVPVSSYSA-N 0 3 258.705 2.109 20 5 CEBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2CCC2)c(Cl)c1 ZINC000316654315 270334690 /nfs/dbraw/zinc/33/46/90/270334690.db2.gz WFPMREUVMOAJNG-CYBMUJFWSA-N 0 3 284.743 2.499 20 5 CEBDHN CCC1(CNCc2csc([N+](=O)[O-])c2)COC1 ZINC000393954882 262375582 /nfs/dbraw/zinc/37/55/82/262375582.db2.gz AQMRLKPTIMVYAB-UHFFFAOYSA-N 0 3 256.327 2.173 20 5 CEBDHN O=[N+]([O-])c1ccc(OCCNCc2cccnc2)cc1 ZINC000038079406 270225921 /nfs/dbraw/zinc/22/59/21/270225921.db2.gz MVNPDFVLJWPNGO-UHFFFAOYSA-N 0 3 273.292 2.158 20 5 CEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000285272834 274516984 /nfs/dbraw/zinc/51/69/84/274516984.db2.gz QWMLVXVGRXUNOO-NSHDSACASA-N 0 3 289.339 2.100 20 5 CEBDHN CC1(C)OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000328467591 275882049 /nfs/dbraw/zinc/88/20/49/275882049.db2.gz XXDWSUWMMTTYBD-GFCCVEGCSA-N 0 3 250.298 2.252 20 5 CEBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272184654 277147124 /nfs/dbraw/zinc/14/71/24/277147124.db2.gz KTAVXEVRHVXEIX-RISCZKNCSA-N 0 3 261.325 2.125 20 5 CEBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000375039512 277178408 /nfs/dbraw/zinc/17/84/08/277178408.db2.gz NFWAOMAPYYWFMF-IINYFYTJSA-N 0 3 279.315 2.264 20 5 CEBDHN COC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278911422 277262996 /nfs/dbraw/zinc/26/29/96/277262996.db2.gz ZJOXNVJXMSMLQY-TUKIKUTGSA-N 0 3 294.351 2.439 20 5 CEBDHN C[C@@H](C[S@@](C)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193280409 278296392 /nfs/dbraw/zinc/29/63/92/278296392.db2.gz XGLVGDKKHRWUMV-RLNQDPLASA-N 0 3 296.392 2.329 20 5 CEBDHN C[C@@H](NC(=O)C1(N)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037766511 279596363 /nfs/dbraw/zinc/59/63/63/279596363.db2.gz LPOARLDDOOHFNV-LLVKDONJSA-N 0 3 291.351 2.434 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCCN(C)C3)n1 ZINC000292680595 281013415 /nfs/dbraw/zinc/01/34/15/281013415.db2.gz DPJWNJMOOHNVAJ-HNNXBMFYSA-N 0 3 290.367 2.220 20 5 CEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000423479192 281053699 /nfs/dbraw/zinc/05/36/99/281053699.db2.gz LYUVGXKSESKTSK-GWCFXTLKSA-N 0 3 299.321 2.113 20 5 CEBDHN C[C@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])CCN1C ZINC000090795023 289050253 /nfs/dbraw/zinc/05/02/53/289050253.db2.gz FRNOYEBXEYGSFQ-IUCAKERBSA-N 0 3 295.368 2.199 20 5 CEBDHN CCO[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000459643517 290203754 /nfs/dbraw/zinc/20/37/54/290203754.db2.gz IKPBGFJAYGUOMQ-BJHJDKERSA-N 0 3 250.298 2.252 20 5 CEBDHN C[C@@H]1C[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000488283418 290387173 /nfs/dbraw/zinc/38/71/73/290387173.db2.gz KCKQXFRSHVPUJF-CHWSQXEVSA-N 0 3 275.352 2.373 20 5 CEBDHN O=C(CCN[C@H]1CCC[C@H]1F)Nc1ccccc1[N+](=O)[O-] ZINC000515637710 297579416 /nfs/dbraw/zinc/57/94/16/297579416.db2.gz CTFDNCGMACLTTF-MNOVXSKESA-N 0 3 295.314 2.404 20 5 CEBDHN N[C@@H]1CCCc2cn(Cc3cccc([N+](=O)[O-])c3)nc21 ZINC000581245778 322380251 /nfs/dbraw/zinc/38/02/51/322380251.db2.gz LNDTYEJLEFYVOY-CYBMUJFWSA-N 0 3 272.308 2.176 20 5 CEBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)CN1 ZINC000584520291 329510087 /nfs/dbraw/zinc/51/00/87/329510087.db2.gz NVWAGKJCTJUFRA-MNOVXSKESA-N 0 3 286.335 2.330 20 5 CEBDHN COc1cc(CN[C@H](CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000355058838 533903516 /nfs/dbraw/zinc/90/35/16/533903516.db2.gz PBAQNGNQFIVQCW-GFCCVEGCSA-N 0 3 282.340 2.100 20 5 CEBDHN Cc1cc(NCCc2cn[nH]c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000357618595 534031471 /nfs/dbraw/zinc/03/14/71/534031471.db2.gz ANWQYKQJQWSOOX-UHFFFAOYSA-N 0 3 297.318 2.251 20 5 CEBDHN CCNC(=O)C(C)(C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183213885 521733112 /nfs/dbraw/zinc/73/31/12/521733112.db2.gz SAGVEFVYGCGHBF-LLVKDONJSA-N 0 3 293.367 2.408 20 5 CEBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCOC1 ZINC000050443613 527334126 /nfs/dbraw/zinc/33/41/26/527334126.db2.gz JSZYJPYXIBFDNY-SECBINFHSA-N 0 3 270.716 2.374 20 5 CEBDHN Cn1ccnc1[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449774 527461929 /nfs/dbraw/zinc/46/19/29/527461929.db2.gz MDSKFQDAXSXYLC-CYBMUJFWSA-N 0 3 286.335 2.318 20 5 CEBDHN Cn1ccnc1[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363449775 527471068 /nfs/dbraw/zinc/47/10/68/527471068.db2.gz MDSKFQDAXSXYLC-ZDUSSCGKSA-N 0 3 286.335 2.318 20 5 CEBDHN Cc1ccc(CN[C@@H]2COC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000725268997 567923971 /nfs/dbraw/zinc/92/39/71/567923971.db2.gz AZXKKJXZEHVNGI-UONOGXRCSA-N 0 3 276.336 2.418 20 5 CEBDHN C[C@@H](Cc1cnccn1)NCc1csc([N+](=O)[O-])c1 ZINC000748820126 575197931 /nfs/dbraw/zinc/19/79/31/575197931.db2.gz DQEXTIVGASKBSR-VIFPVBQESA-N 0 3 278.337 2.167 20 5 CEBDHN Cc1nc(C(F)(F)F)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107055 623027198 /nfs/dbraw/zinc/02/71/98/623027198.db2.gz LHJOJOFICRGVON-ZCFIWIBFSA-N 0 3 292.213 2.231 20 5 CEBDHN CC(COC(=O)[C@H]1CCCC(F)(F)C1)[N+](=O)[O-] ZINC000813107441 623037565 /nfs/dbraw/zinc/03/75/65/623037565.db2.gz QMGZSHJESAJDOX-SFYZADRCSA-N 0 3 251.229 2.020 20 5 CEBDHN Cc1ccccc1OCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113192 623057886 /nfs/dbraw/zinc/05/78/86/623057886.db2.gz BVOFFXGTJQZGNT-LBPRGKRZSA-N 0 3 281.308 2.362 20 5 CEBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCCC[C@H]1C ZINC000891838697 624013269 /nfs/dbraw/zinc/01/32/69/624013269.db2.gz WUBWDDDIXRPMAL-LLVKDONJSA-N 0 3 294.355 2.285 20 5 CEBDHN CC(=O)OC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892621187 627317506 /nfs/dbraw/zinc/31/75/06/627317506.db2.gz HMEDHDLAFNRGTO-ZJUUUORDSA-N 0 3 266.297 2.197 20 5 CEBDHN COc1c(O)ccc(CNC[C@H](OC)C(C)C)c1[N+](=O)[O-] ZINC000893087431 627990305 /nfs/dbraw/zinc/99/03/05/627990305.db2.gz VPYMWHMPRKKOHS-LBPRGKRZSA-N 0 3 298.339 2.070 20 5 CEBDHN Cc1ncoc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000894366553 629397036 /nfs/dbraw/zinc/39/70/36/629397036.db2.gz NQCKVKNLCVSECM-UHFFFAOYSA-N 0 3 261.281 2.224 20 5 CEBDHN COc1cc(CNCC2CSC2)c([N+](=O)[O-])cc1OC ZINC000895423297 630185981 /nfs/dbraw/zinc/18/59/81/630185981.db2.gz YRVCNVNYFDMNAL-UHFFFAOYSA-N 0 3 298.364 2.065 20 5 CEBDHN CO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000799343141 631016979 /nfs/dbraw/zinc/01/69/79/631016979.db2.gz AVSQVJXHCCWLRY-NILFDRSVSA-N 0 3 294.351 2.128 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000898392240 632473948 /nfs/dbraw/zinc/47/39/48/632473948.db2.gz KHOOZFSMYXEOEF-HOTGVXAUSA-N 0 3 284.315 2.343 20 5 CEBDHN CC(C)c1nn(C)c(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813100953 632621065 /nfs/dbraw/zinc/62/10/65/632621065.db2.gz YXWJOTOTGCDEDV-ZETCQYMHSA-N 0 3 289.719 2.019 20 5 CEBDHN CC(COC(=O)Cc1coc2ccccc12)[N+](=O)[O-] ZINC000813102305 632621862 /nfs/dbraw/zinc/62/18/62/632621862.db2.gz DRLXNRYUGBYDCN-SECBINFHSA-N 0 3 263.249 2.184 20 5 CEBDHN CC(COC(=O)[C@H](C)Oc1ccccc1Cl)[N+](=O)[O-] ZINC000813104948 632622427 /nfs/dbraw/zinc/62/24/27/632622427.db2.gz TZQTWCCKIGBIIV-BDAKNGLRSA-N 0 3 287.699 2.316 20 5 CEBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])c1cccnc1 ZINC000813104376 632622833 /nfs/dbraw/zinc/62/28/33/632622833.db2.gz ZJXZWFCPMAPSLH-JQWIXIFHSA-N 0 3 266.297 2.030 20 5 CEBDHN CC(COC(=O)/C=C/SCc1ccco1)[N+](=O)[O-] ZINC000813103599 632622937 /nfs/dbraw/zinc/62/29/37/632622937.db2.gz RDZTVVGOWHXSRD-OTQAPUNGSA-N 0 3 271.294 2.235 20 5 CEBDHN CC(COC(=O)c1ncoc1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813103857 632622945 /nfs/dbraw/zinc/62/29/45/632622945.db2.gz HFRFTOFHBNMKKA-MRVPVSSYSA-N 0 3 294.238 2.303 20 5 CEBDHN CC(COC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813106321 632623655 /nfs/dbraw/zinc/62/36/55/632623655.db2.gz APICWDURMPFQHW-WDEREUQCSA-N 0 3 293.319 2.151 20 5 CEBDHN CC(COC(=O)c1cnc(C(C)(C)C)s1)[N+](=O)[O-] ZINC000813107431 632624406 /nfs/dbraw/zinc/62/44/06/632624406.db2.gz NGQGPQNZHRJUAA-ZETCQYMHSA-N 0 3 272.326 2.263 20 5 CEBDHN CC(COC(=O)c1cccc2c1ccn2C)[N+](=O)[O-] ZINC000813107140 632624674 /nfs/dbraw/zinc/62/46/74/632624674.db2.gz KONFSASHXDACHP-SECBINFHSA-N 0 3 262.265 2.000 20 5 CEBDHN Cc1ccc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107766 632624977 /nfs/dbraw/zinc/62/49/77/632624977.db2.gz VYNYWUYPUABCIT-NSHDSACASA-N 0 3 251.282 2.054 20 5 CEBDHN Cc1ccnn1-c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108329 632625582 /nfs/dbraw/zinc/62/55/82/632625582.db2.gz XNFMKFMYOYTCSP-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN COc1ccc(/C=C(/C)C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813114698 632628624 /nfs/dbraw/zinc/62/86/24/632628624.db2.gz VJFJYFVUXHZCPN-ABRRARGCSA-N 0 3 297.282 2.446 20 5 CEBDHN CC(COC(=O)[C@@H](C)Cc1cccc(F)c1)[N+](=O)[O-] ZINC000813115073 632629513 /nfs/dbraw/zinc/62/95/13/632629513.db2.gz KCFHYWROTIVKQI-VHSXEESVSA-N 0 3 269.272 2.213 20 5 CEBDHN O=[N+]([O-])CCNCC1(c2cccc(Br)c2)CC1 ZINC000905122562 635827227 /nfs/dbraw/zinc/82/72/27/635827227.db2.gz ZYVHKKUTVUKLLX-UHFFFAOYSA-N 0 3 299.168 2.347 20 5 CEBDHN CC(COC(=O)c1ccc(OC(F)F)c(F)c1)[N+](=O)[O-] ZINC000816091462 633115320 /nfs/dbraw/zinc/11/53/20/633115320.db2.gz YBYYOXKKXQACDP-LURJTMIESA-N 0 3 293.197 2.249 20 5 CEBDHN CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)CO ZINC000816653962 633457896 /nfs/dbraw/zinc/45/78/96/633457896.db2.gz OLIGHPFCWKXXOL-VIFPVBQESA-N 0 3 272.732 2.451 20 5 CEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1-n1cccn1 ZINC000817739037 633732864 /nfs/dbraw/zinc/73/28/64/633732864.db2.gz GDVLKISBFDUVQQ-LLVKDONJSA-N 0 3 289.291 2.003 20 5 CEBDHN Cc1cccnc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018362 634041888 /nfs/dbraw/zinc/04/18/88/634041888.db2.gz VXEJMFGQBLOYIU-HNNXBMFYSA-N 0 3 287.319 2.121 20 5 CEBDHN Cc1ccncc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819350496 634149674 /nfs/dbraw/zinc/14/96/74/634149674.db2.gz OPGQKIBJSAKOAA-OAHLLOKOSA-N 0 3 287.319 2.121 20 5 CEBDHN COc1cc([C@H](C)NC[C@@H](C)OC)cc([N+](=O)[O-])c1 ZINC000903157325 634992254 /nfs/dbraw/zinc/99/22/54/634992254.db2.gz DDAXMGQOJIFOKR-ZJUUUORDSA-N 0 3 268.313 2.289 20 5 CEBDHN Cn1ccc(CCNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000230880560 639798588 /nfs/dbraw/zinc/79/85/88/639798588.db2.gz QAMKYRMSGIIDDB-UHFFFAOYSA-N 0 3 294.742 2.314 20 5 CEBDHN CO[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874456 641117679 /nfs/dbraw/zinc/11/76/79/641117679.db2.gz IRRUCLJZQAKRFE-SBMIAAHKSA-N 0 3 285.271 2.110 20 5 CEBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])c2ccccc2n1 ZINC000851037410 642889902 /nfs/dbraw/zinc/88/99/02/642889902.db2.gz VBJAJOYFQZZJLM-VIFPVBQESA-N 0 3 290.275 2.065 20 5 CEBDHN CC(COC(=O)[C@H]1CCc2cc(F)ccc21)[N+](=O)[O-] ZINC000851036769 642890149 /nfs/dbraw/zinc/89/01/49/642890149.db2.gz MXICNHBGVQATSE-PELKAZGASA-N 0 3 267.256 2.064 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C1(CO)CC1 ZINC000877642171 650830262 /nfs/dbraw/zinc/83/02/62/650830262.db2.gz RBLSFGAXEOWGHX-UHFFFAOYSA-N 0 3 264.325 2.168 20 5 CEBDHN CN(C)C1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000763024117 645490821 /nfs/dbraw/zinc/49/08/21/645490821.db2.gz DUAYOZOFZZNALN-UHFFFAOYSA-N 0 3 291.351 2.038 20 5 CEBDHN CCOC(=O)C1=CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000862486910 646476786 /nfs/dbraw/zinc/47/67/86/646476786.db2.gz JNDMJTBXXAREJU-ZDUSSCGKSA-N 0 3 290.319 2.336 20 5 CEBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000776593084 647076928 /nfs/dbraw/zinc/07/69/28/647076928.db2.gz VYIOBNXHWCSFCB-ZDUSSCGKSA-N 0 3 296.392 2.456 20 5 CEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC2)cc1Cl ZINC000783647766 647742924 /nfs/dbraw/zinc/74/29/24/647742924.db2.gz XJRRBIXDOAZSAA-SECBINFHSA-N 0 3 256.689 2.127 20 5 CEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000787418128 648107081 /nfs/dbraw/zinc/10/70/81/648107081.db2.gz LBSBSAICWQENFN-JUFWSGDYSA-N 0 3 288.347 2.312 20 5 CEBDHN CC(COC(=O)c1ccc2c(c1)OC(C)(C)C2)[N+](=O)[O-] ZINC000870376451 648789093 /nfs/dbraw/zinc/78/90/93/648789093.db2.gz JTJWAIKHQJNLER-SECBINFHSA-N 0 3 279.292 2.222 20 5 CEBDHN COC/C=C/C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870454244 648819350 /nfs/dbraw/zinc/81/93/50/648819350.db2.gz JCMCWXPXSHDBHM-QAARYAPESA-N 0 3 297.282 2.278 20 5 CEBDHN CN1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])s1 ZINC000872781540 649488310 /nfs/dbraw/zinc/48/83/10/649488310.db2.gz VDQZGLOSDFGAGZ-NXEZZACHSA-N 0 3 267.354 2.329 20 5 CEBDHN Cc1c(CN[C@@H](C)CO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000873074107 649551776 /nfs/dbraw/zinc/55/17/76/649551776.db2.gz IXLMOJSQKQIMRC-FZMZJTMJSA-N 0 3 294.351 2.187 20 5 CEBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CCCC1 ZINC000873841360 649725636 /nfs/dbraw/zinc/72/56/36/649725636.db2.gz OFMJTVDSSKIPOP-UHFFFAOYSA-N 0 3 291.351 2.037 20 5 CEBDHN CC1(C)C[C@H](O)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000879619088 651330751 /nfs/dbraw/zinc/33/07/51/651330751.db2.gz MJWJYJBQBPQANR-ZDUSSCGKSA-N 0 3 294.351 2.066 20 5 CEBDHN Cc1ccc(Cn2cc([C@@H](N)C(C)C)nn2)cc1[N+](=O)[O-] ZINC000881212405 651638278 /nfs/dbraw/zinc/63/82/78/651638278.db2.gz PWGDDXRZGSZENA-AWEZNQCLSA-N 0 3 289.339 2.199 20 5 CEBDHN O=[N+]([O-])c1c(F)nccc1N1CC[C@H](N2CCCCC2)C1 ZINC000881958137 651925718 /nfs/dbraw/zinc/92/57/18/651925718.db2.gz CGKCIXJJZLSBNI-NSHDSACASA-N 0 3 294.330 2.194 20 5 CEBDHN C/C=C\C[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000883090149 652360848 /nfs/dbraw/zinc/36/08/48/652360848.db2.gz CYQFZCOKXDUUKE-DLGQBQFBSA-N 0 3 250.298 2.012 20 5 CEBDHN