smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001169010682 969337141 /nfs/dbraw/zinc/33/71/41/969337141.db2.gz FLISHULBGVPBHT-KYXWUPHJSA-N 1 2 234.246 1.424 20 5 BDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](F)[C@@H](F)C2)C1 ZINC001169010682 969337147 /nfs/dbraw/zinc/33/71/47/969337147.db2.gz FLISHULBGVPBHT-KYXWUPHJSA-N 1 2 234.246 1.424 20 5 BDBDLO CC1(F)C[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011871 969339394 /nfs/dbraw/zinc/33/93/94/969339394.db2.gz NDGXIVRIECIXNG-BDAKNGLRSA-N 1 2 216.256 1.476 20 5 BDBDLO CC[NH+]1CC(Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225382180 974459449 /nfs/dbraw/zinc/45/94/49/974459449.db2.gz MIGCNFFVLJOPJI-UHFFFAOYSA-N 1 2 240.234 1.817 20 5 BDBDLO O=[N+]([O-])CC[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC001335985380 977403672 /nfs/dbraw/zinc/40/36/72/977403672.db2.gz DQRDEZBWKPTLKT-WDEREUQCSA-N 1 2 224.235 1.490 20 5 BDBDLO O=[N+]([O-])CC[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC001335985379 977404107 /nfs/dbraw/zinc/40/41/07/977404107.db2.gz DQRDEZBWKPTLKT-QWRGUYRKSA-N 1 2 224.235 1.490 20 5 BDBDLO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccn[nH]1 ZINC001202228689 983591595 /nfs/dbraw/zinc/59/15/95/983591595.db2.gz WCAQKYKPKRPFTK-UHFFFAOYSA-N 1 2 246.270 1.650 20 5 BDBDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CC[N+](=O)[O-] ZINC000930109373 984947084 /nfs/dbraw/zinc/94/70/84/984947084.db2.gz HKSODKPXVAHMAY-MRVPVSSYSA-N 1 2 243.694 1.795 20 5 BDBDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CC[N+](=O)[O-] ZINC000930109373 984947107 /nfs/dbraw/zinc/94/71/07/984947107.db2.gz HKSODKPXVAHMAY-MRVPVSSYSA-N 1 2 243.694 1.795 20 5 BDBDLO Cc1cncc([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC001322649130 988357997 /nfs/dbraw/zinc/35/79/97/988357997.db2.gz XTKIDYNBBDKCNV-UHFFFAOYSA-N 1 2 247.258 1.029 20 5 BDBDLO Cc1cnc(OCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157961288 398266385 /nfs/dbraw/zinc/26/63/85/398266385.db2.gz FWMYJELZKFFQNJ-UHFFFAOYSA-N 1 2 248.242 1.574 20 5 BDBDLO Cc1c[nH]c(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000594926568 348138503 /nfs/dbraw/zinc/13/85/03/348138503.db2.gz UAHIJTNEFYJSHB-UHFFFAOYSA-N 1 2 246.270 1.916 20 5 BDBDLO Cc1c[nH+]ccc1CCn1cc([N+](=O)[O-])cn1 ZINC000421841425 192391859 /nfs/dbraw/zinc/39/18/59/192391859.db2.gz ISJOYLJFKAJZOO-UHFFFAOYSA-N 1 2 232.243 1.737 20 5 BDBDLO Cc1ncc([N+](=O)[O-])n1Cc1[nH+]ccn1C(C)C ZINC000332734445 180175583 /nfs/dbraw/zinc/17/55/83/180175583.db2.gz VKBWQDLHNGOMOT-UHFFFAOYSA-N 1 2 249.274 1.925 20 5 BDBDLO COc1cc[nH+]cc1Cn1cnc([N+](=O)[O-])c1 ZINC000343836328 350998521 /nfs/dbraw/zinc/99/85/21/350998521.db2.gz UJOZQINXKPJIBR-UHFFFAOYSA-N 1 2 234.215 1.243 20 5 BDBDLO NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177972008 181229043 /nfs/dbraw/zinc/22/90/43/181229043.db2.gz HVKSSUWKRGGKSF-UHFFFAOYSA-N 1 2 249.270 1.045 20 5 BDBDLO NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000177972008 181229046 /nfs/dbraw/zinc/22/90/46/181229046.db2.gz HVKSSUWKRGGKSF-UHFFFAOYSA-N 1 2 249.270 1.045 20 5 BDBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000054172138 363563344 /nfs/dbraw/zinc/56/33/44/363563344.db2.gz PSBOUGUWVBUHBL-SNVBAGLBSA-N 1 2 236.271 1.816 20 5 BDBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000054172138 363563350 /nfs/dbraw/zinc/56/33/50/363563350.db2.gz PSBOUGUWVBUHBL-SNVBAGLBSA-N 1 2 236.271 1.816 20 5 BDBDLO Cn1ncnc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000088572167 356743393 /nfs/dbraw/zinc/74/33/93/356743393.db2.gz KFOHJNXXTZCPAM-UHFFFAOYSA-N 1 2 247.258 1.013 20 5 BDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(N)=O ZINC000015548883 367943608 /nfs/dbraw/zinc/94/36/08/367943608.db2.gz SRVYIZHAZZPCSD-QMMMGPOBSA-N 1 2 237.259 1.073 20 5 BDBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(N)=O ZINC000015548883 367943611 /nfs/dbraw/zinc/94/36/11/367943611.db2.gz SRVYIZHAZZPCSD-QMMMGPOBSA-N 1 2 237.259 1.073 20 5 BDBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]CCF)nc2c1 ZINC000602645922 371826338 /nfs/dbraw/zinc/82/63/38/371826338.db2.gz MKDGWGAGIKUNDX-UHFFFAOYSA-N 1 2 239.206 1.795 20 5 BDBDLO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000339567973 383996024 /nfs/dbraw/zinc/99/60/24/383996024.db2.gz OYNSOQSBKCHLFH-SFYZADRCSA-N 1 2 224.264 1.169 20 5 BDBDLO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H]1C ZINC000339567973 383996031 /nfs/dbraw/zinc/99/60/31/383996031.db2.gz OYNSOQSBKCHLFH-SFYZADRCSA-N 1 2 224.264 1.169 20 5 BDBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297615 386999404 /nfs/dbraw/zinc/99/94/04/386999404.db2.gz WEPYIMRZVGXLSJ-VIFPVBQESA-N 1 2 247.258 1.687 20 5 BDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](C)(F)C1 ZINC000347354983 387837410 /nfs/dbraw/zinc/83/74/10/387837410.db2.gz PXLNCSGTWRYQLX-JTQLQIEISA-N 1 2 242.254 1.262 20 5 BDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](C)(F)C1 ZINC000347354983 387837415 /nfs/dbraw/zinc/83/74/15/387837415.db2.gz PXLNCSGTWRYQLX-JTQLQIEISA-N 1 2 242.254 1.262 20 5 BDBDLO COC1(C)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000459570468 388363185 /nfs/dbraw/zinc/36/31/85/388363185.db2.gz BLXYJEDJDLRTPS-UHFFFAOYSA-N 1 2 236.271 1.816 20 5 BDBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000548753674 388368098 /nfs/dbraw/zinc/36/80/98/388368098.db2.gz IIRWHLNNYVKVFX-OCAPTIKFSA-N 1 2 224.264 1.311 20 5 BDBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000548753674 388368099 /nfs/dbraw/zinc/36/80/99/388368099.db2.gz IIRWHLNNYVKVFX-OCAPTIKFSA-N 1 2 224.264 1.311 20 5 BDBDLO Cn1c[nH+]cc1CNc1ncccc1[N+](=O)[O-] ZINC000357584318 388394449 /nfs/dbraw/zinc/39/44/49/388394449.db2.gz SPUICRLBWOZBGO-UHFFFAOYSA-N 1 2 233.231 1.335 20 5 BDBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000331443526 388775144 /nfs/dbraw/zinc/77/51/44/388775144.db2.gz FQRFTLAGBGZKPK-UHFFFAOYSA-N 1 2 224.264 1.313 20 5 BDBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000331443526 388775150 /nfs/dbraw/zinc/77/51/50/388775150.db2.gz FQRFTLAGBGZKPK-UHFFFAOYSA-N 1 2 224.264 1.313 20 5 BDBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc[nH+]1 ZINC000352021421 134037366 /nfs/dbraw/zinc/03/73/66/134037366.db2.gz OWUXBKUANJPYQI-UHFFFAOYSA-N 1 2 246.226 1.301 20 5 BDBDLO CCOC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000297468128 170337058 /nfs/dbraw/zinc/33/70/58/170337058.db2.gz QWEFRGNCLYBNKA-UHFFFAOYSA-N 1 2 236.271 1.816 20 5 BDBDLO COc1cc[nH+]cc1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000288415256 175373859 /nfs/dbraw/zinc/37/38/59/175373859.db2.gz CHOQFRRULXTWQB-UHFFFAOYSA-N 1 2 248.242 1.552 20 5 BDBDLO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCn2cc[nH+]c21 ZINC000894015838 583276361 /nfs/dbraw/zinc/27/63/61/583276361.db2.gz XKGILKQSYMGXRI-ZETCQYMHSA-N 1 2 248.246 1.082 20 5 BDBDLO O=[N+]([O-])CC[NH+]1CC(Cc2ccsc2)C1 ZINC000899893010 584248598 /nfs/dbraw/zinc/24/85/98/584248598.db2.gz RXDJWRFYLZTYPM-UHFFFAOYSA-N 1 2 226.301 1.499 20 5 BDBDLO CC1=C[C@@H](C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000797420222 586126951 /nfs/dbraw/zinc/12/69/51/586126951.db2.gz ZPVRMMXMTODQRF-SECBINFHSA-N 1 2 236.275 1.647 20 5 BDBDLO CC1=C[C@@H](C)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000797420222 586126952 /nfs/dbraw/zinc/12/69/52/586126952.db2.gz ZPVRMMXMTODQRF-SECBINFHSA-N 1 2 236.275 1.647 20 5 BDBDLO CS[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840115717 586449615 /nfs/dbraw/zinc/44/96/15/586449615.db2.gz WNAUOEKHKUHNOI-VIFPVBQESA-N 1 2 242.304 1.186 20 5 BDBDLO CS[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000840115717 586449617 /nfs/dbraw/zinc/44/96/17/586449617.db2.gz WNAUOEKHKUHNOI-VIFPVBQESA-N 1 2 242.304 1.186 20 5 BDBDLO C[C@H]([NH2+]Cc1cnon1)c1ccc([N+](=O)[O-])cc1 ZINC000852095892 588662009 /nfs/dbraw/zinc/66/20/09/588662009.db2.gz GGKAKNGTYJDGEL-QMMMGPOBSA-N 1 2 248.242 1.829 20 5 BDBDLO C[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000124962419 590106727 /nfs/dbraw/zinc/10/67/27/590106727.db2.gz JRUWKSFMZHXHQP-QMMMGPOBSA-N 1 2 242.304 1.186 20 5 BDBDLO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000124962419 590106728 /nfs/dbraw/zinc/10/67/28/590106728.db2.gz JRUWKSFMZHXHQP-QMMMGPOBSA-N 1 2 242.304 1.186 20 5 BDBDLO CC[C@@H]1C[NH+](CC[N+](=O)[O-])C[C@@H](CC)O1 ZINC000930749523 634087737 /nfs/dbraw/zinc/08/77/37/634087737.db2.gz QYFBZESFDCSFSH-NXEZZACHSA-N 1 2 216.281 1.153 20 5 BDBDLO O=[N+]([O-])CC[NH+]1CC(Cc2ccoc2)C1 ZINC000899915327 637154207 /nfs/dbraw/zinc/15/42/07/637154207.db2.gz UHKOWMCNSVJASO-UHFFFAOYSA-N 1 2 210.233 1.031 20 5 BDBDLO C[C@@H](O)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1F ZINC000905361741 637781990 /nfs/dbraw/zinc/78/19/90/637781990.db2.gz QRAIYXGZEOKFFF-LDYMZIIASA-N 1 2 242.250 1.114 20 5 BDBDLO O=[N+]([O-])CC[NH2+]C1(c2ccccc2F)CC1 ZINC000930221680 639639748 /nfs/dbraw/zinc/63/97/48/639639748.db2.gz JEEUTRDZALCBCN-UHFFFAOYSA-N 1 2 224.235 1.681 20 5 BDBDLO COC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597348 969743484 /nfs/dbraw/zinc/74/34/84/969743484.db2.gz HRITZERSADKRAG-GFCCVEGCSA-N 1 2 248.282 1.393 20 5 BDBDLO C[C@H](O)CC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330591229 974341293 /nfs/dbraw/zinc/34/12/93/974341293.db2.gz UILNEVUYRHZVQU-VIFPVBQESA-N 1 2 236.271 1.681 20 5 BDBDLO C[C@H](O)CC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330591229 974341302 /nfs/dbraw/zinc/34/13/02/974341302.db2.gz UILNEVUYRHZVQU-VIFPVBQESA-N 1 2 236.271 1.681 20 5 BDBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)cn1 ZINC001559130717 991039597 /nfs/dbraw/zinc/03/95/97/991039597.db2.gz SJUYTUNDMBBOGB-UHFFFAOYSA-N 1 2 245.242 1.248 20 5 BDBDLO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)nc[nH+]1 ZINC000301698082 178162755 /nfs/dbraw/zinc/16/27/55/178162755.db2.gz CBKIHQHBYUIUOX-UHFFFAOYSA-N 1 2 248.246 1.002 20 5 BDBDLO Cn1cc[nH+]c1CNc1ccncc1[N+](=O)[O-] ZINC000071140333 343622144 /nfs/dbraw/zinc/62/21/44/343622144.db2.gz GCJCQALSAVYBRX-UHFFFAOYSA-N 1 2 233.231 1.335 20 5 BDBDLO Cc1cc(NCc2c[nH+]cn2C)ncc1[N+](=O)[O-] ZINC000291130128 349869202 /nfs/dbraw/zinc/86/92/02/349869202.db2.gz NBBMGYZKGQUDAF-UHFFFAOYSA-N 1 2 247.258 1.644 20 5 BDBDLO Cc1noc(C[N@H+]2[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595468060 348258537 /nfs/dbraw/zinc/25/85/37/348258537.db2.gz IPXDWYAMVZDSKN-KNVOCYPGSA-N 1 2 225.248 1.874 20 5 BDBDLO Cc1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595468060 348258540 /nfs/dbraw/zinc/25/85/40/348258540.db2.gz IPXDWYAMVZDSKN-KNVOCYPGSA-N 1 2 225.248 1.874 20 5 BDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1[nH+]ccn1C ZINC000596542694 348583745 /nfs/dbraw/zinc/58/37/45/348583745.db2.gz OLPDLLCCNUJVKW-MRVPVSSYSA-N 1 2 247.258 1.896 20 5 BDBDLO C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000596543205 348584327 /nfs/dbraw/zinc/58/43/27/348584327.db2.gz NTKQQPHKNHWJEE-QMMMGPOBSA-N 1 2 247.258 1.896 20 5 BDBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000344441328 351127182 /nfs/dbraw/zinc/12/71/82/351127182.db2.gz WCTSUZAUADYHTP-UHFFFAOYSA-N 1 2 245.242 1.592 20 5 BDBDLO Cn1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000088572049 356743643 /nfs/dbraw/zinc/74/36/43/356743643.db2.gz AAPWROYSCPXDNY-UHFFFAOYSA-N 1 2 247.258 1.013 20 5 BDBDLO Cc1ncc([N+](=O)[O-])n1Cc1c[nH+]ccc1C ZINC000346612794 357113446 /nfs/dbraw/zinc/11/34/46/357113446.db2.gz QTODRIPYOHOBQW-UHFFFAOYSA-N 1 2 232.243 1.851 20 5 BDBDLO Cn1cc[nH+]c1CNc1ccccc1[N+](=O)[O-] ZINC000051922470 358768160 /nfs/dbraw/zinc/76/81/60/358768160.db2.gz VIJWCONNGPZNIK-UHFFFAOYSA-N 1 2 232.243 1.940 20 5 BDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC(F)F)CC2 ZINC000612468228 359858413 /nfs/dbraw/zinc/85/84/13/359858413.db2.gz ZMOCQJWKVZGWLG-UHFFFAOYSA-N 1 2 243.213 1.613 20 5 BDBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC(F)F)CC2 ZINC000612468228 359858414 /nfs/dbraw/zinc/85/84/14/359858414.db2.gz ZMOCQJWKVZGWLG-UHFFFAOYSA-N 1 2 243.213 1.613 20 5 BDBDLO CC1=CCC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000436265376 201316493 /nfs/dbraw/zinc/31/64/93/201316493.db2.gz RVMBJQKIJRNJHX-UHFFFAOYSA-N 1 2 236.275 1.480 20 5 BDBDLO CC1=CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000436265376 201316495 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BDBDLO O=[N+]([O-])CC[N@H+]1CCc2c(O)cccc2C1 ZINC000931262237 640123135 /nfs/dbraw/zinc/12/31/35/640123135.db2.gz PBQBTGRHUAFANY-UHFFFAOYSA-N 1 2 222.244 1.027 20 5 BDBDLO O=[N+]([O-])CC[N@@H+]1CCc2c(O)cccc2C1 ZINC000931262237 640123138 /nfs/dbraw/zinc/12/31/38/640123138.db2.gz PBQBTGRHUAFANY-UHFFFAOYSA-N 1 2 222.244 1.027 20 5 BDBDLO CCn1cc[nH+]c1Cn1ccnc1[N+](=O)[O-] ZINC000918359630 642190256 /nfs/dbraw/zinc/19/02/56/642190256.db2.gz FPSJIUJCXKOAJS-UHFFFAOYSA-N 1 2 221.220 1.056 20 5 BDBDLO CC(C)n1cc[nH+]c1Cn1ccnc1[N+](=O)[O-] ZINC000918359935 642190504 /nfs/dbraw/zinc/19/05/04/642190504.db2.gz NFCJOSCMIPKPEW-UHFFFAOYSA-N 1 2 235.247 1.617 20 5 BDBDLO C[C@@H]1c2ccccc2C[N@H+]1CC[N+](=O)[O-] ZINC000929767721 646296075 /nfs/dbraw/zinc/29/60/75/646296075.db2.gz VEZDMPMPFJERPQ-SECBINFHSA-N 1 2 206.245 1.840 20 5 BDBDLO C[C@@H]1c2ccccc2C[N@@H+]1CC[N+](=O)[O-] ZINC000929767721 646296078 /nfs/dbraw/zinc/29/60/78/646296078.db2.gz VEZDMPMPFJERPQ-SECBINFHSA-N 1 2 206.245 1.840 20 5 BDBDLO 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C[C@H](C[NH+](C)C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619622 974599645 /nfs/dbraw/zinc/59/96/45/974599645.db2.gz FNJPCKGKCJSSIZ-MRVPVSSYSA-N 1 2 240.259 1.629 20 5 BDBDLO Cc1cc(OC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC001226842737 975117990 /nfs/dbraw/zinc/11/79/90/975117990.db2.gz YLAXBNUZJBNCNO-UHFFFAOYSA-N 1 2 222.244 1.596 20 5 BDBDLO Cc1csc([C@H](C)[NH2+]CC[N+](=O)[O-])n1 ZINC001334058134 976264529 /nfs/dbraw/zinc/26/45/29/976264529.db2.gz SRUKDEFJOIXLOH-ZETCQYMHSA-N 1 2 215.278 1.379 20 5 BDBDLO O=[N+]([O-])CC[NH2+]Cc1ccc(Br)o1 ZINC001337852649 978527236 /nfs/dbraw/zinc/52/72/36/978527236.db2.gz BOFQAOSJGFKASS-UHFFFAOYSA-N 1 2 249.064 1.408 20 5 BDBDLO CN(C)c1ccc(Cn2cnc([N+](=O)[O-])c2)c[nH+]1 ZINC000600514404 344252569 /nfs/dbraw/zinc/25/25/69/344252569.db2.gz LFMQLPJYSYTBOP-UHFFFAOYSA-N 1 2 247.258 1.301 20 5 BDBDLO Cc1ccc([N+](=O)[O-])c(NCc2c[nH+]cn2C)n1 ZINC000291250025 349922281 /nfs/dbraw/zinc/92/22/81/349922281.db2.gz YGRKIZLBCXSDPT-UHFFFAOYSA-N 1 2 247.258 1.644 20 5 BDBDLO O=[N+]([O-])c1ncccc1NCCCn1cc[nH+]c1 ZINC000159276490 349934554 /nfs/dbraw/zinc/93/45/54/349934554.db2.gz WKMKZNSJNLHULB-UHFFFAOYSA-N 1 2 247.258 1.689 20 5 BDBDLO Cc1cn(Cc2ccc(C)[nH+]c2)nc1[N+](=O)[O-] ZINC000594491329 348062473 /nfs/dbraw/zinc/06/24/73/348062473.db2.gz QBOPBJGEVHLPIC-UHFFFAOYSA-N 1 2 232.243 1.851 20 5 BDBDLO Cc1noc(C[N@@H+](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595314201 348224418 /nfs/dbraw/zinc/22/44/18/348224418.db2.gz RWVASNKRCCTECT-MRVPVSSYSA-N 1 2 241.247 1.112 20 5 BDBDLO Cc1noc(C[N@H+](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000595314201 348224420 /nfs/dbraw/zinc/22/44/20/348224420.db2.gz RWVASNKRCCTECT-MRVPVSSYSA-N 1 2 241.247 1.112 20 5 BDBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1[nH+]ccn1C ZINC000596544819 348584423 /nfs/dbraw/zinc/58/44/23/348584423.db2.gz UNKPPHVCZLMCPU-ZETCQYMHSA-N 1 2 248.246 1.291 20 5 BDBDLO Cn1c[nH+]cc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000596647161 348604252 /nfs/dbraw/zinc/60/42/52/348604252.db2.gz DGTYZLNRIQBQFJ-UHFFFAOYSA-N 1 2 247.254 1.530 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216.187 1.950 20 5 BDBDLO C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000046773879 368449425 /nfs/dbraw/zinc/44/94/25/368449425.db2.gz CBKNZFPXPRYJEJ-SNVBAGLBSA-N 1 2 236.271 1.816 20 5 BDBDLO C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000046773879 368449429 /nfs/dbraw/zinc/44/94/29/368449429.db2.gz CBKNZFPXPRYJEJ-SNVBAGLBSA-N 1 2 236.271 1.816 20 5 BDBDLO C[C@H]1COCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000046773810 368450620 /nfs/dbraw/zinc/45/06/20/368450620.db2.gz VAJHHJJDGPYWNU-JTQLQIEISA-N 1 2 236.271 1.816 20 5 BDBDLO C[C@H]1COCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000046773810 368450624 /nfs/dbraw/zinc/45/06/24/368450624.db2.gz VAJHHJJDGPYWNU-JTQLQIEISA-N 1 2 236.271 1.816 20 5 BDBDLO CNc1ccc(Nc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000603932305 371943378 /nfs/dbraw/zinc/94/33/78/371943378.db2.gz BYNJUZNXZDLPAX-UHFFFAOYSA-N 1 2 245.242 1.592 20 5 BDBDLO O=[N+]([O-])c1cnc(-n2cc[nH+]c2)c(Cl)c1 ZINC000227648311 384068053 /nfs/dbraw/zinc/06/80/53/384068053.db2.gz RTJRPECGELHPOI-UHFFFAOYSA-N 1 2 224.607 1.829 20 5 BDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000049715481 387788265 /nfs/dbraw/zinc/78/82/65/387788265.db2.gz AWZMDMGNHQGXIW-UHFFFAOYSA-N 1 2 232.243 1.608 20 5 BDBDLO CC[C@@H]1CC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000793819048 586027094 /nfs/dbraw/zinc/02/70/94/586027094.db2.gz GMWITIJBSYIFPX-MRVPVSSYSA-N 1 2 210.237 1.233 20 5 BDBDLO CC[C@@H]1CC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000793819048 586027095 /nfs/dbraw/zinc/02/70/95/586027095.db2.gz GMWITIJBSYIFPX-MRVPVSSYSA-N 1 2 210.237 1.233 20 5 BDBDLO CC1=C[C@H](C)C[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000797420223 586126869 /nfs/dbraw/zinc/12/68/69/586126869.db2.gz ZPVRMMXMTODQRF-VIFPVBQESA-N 1 2 236.275 1.647 20 5 BDBDLO CC1=C[C@H](C)C[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000797420223 586126870 /nfs/dbraw/zinc/12/68/70/586126870.db2.gz ZPVRMMXMTODQRF-VIFPVBQESA-N 1 2 236.275 1.647 20 5 BDBDLO CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842585526 586538917 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O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000363343976 384459339 /nfs/dbraw/zinc/45/93/39/384459339.db2.gz CSBWUWNQXGEATJ-TXEJJXNPSA-N 1 2 248.282 1.958 20 5 BDBDLO Cn1c[nH+]cc1COc1ccccc1[N+](=O)[O-] ZINC000439550472 386593918 /nfs/dbraw/zinc/59/39/18/386593918.db2.gz NHVOEQZJVDGJIJ-UHFFFAOYSA-N 1 2 233.227 1.907 20 5 BDBDLO COc1cc(C)[nH+]c(Cn2nccc2[N+](=O)[O-])c1 ZINC000339742070 386573366 /nfs/dbraw/zinc/57/33/66/386573366.db2.gz ZDHFKCFZCPSAKR-UHFFFAOYSA-N 1 2 248.242 1.552 20 5 BDBDLO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000054860479 387830011 /nfs/dbraw/zinc/83/00/11/387830011.db2.gz AVJZLXLNKXDXQJ-UHFFFAOYSA-N 1 2 247.258 1.013 20 5 BDBDLO Cc1ccc(C[NH2+]Cc2cc[nH]n2)cc1[N+](=O)[O-] ZINC000041015247 322834093 /nfs/dbraw/zinc/83/40/93/322834093.db2.gz GZPABOMTZJMGOR-UHFFFAOYSA-N 1 2 246.270 1.916 20 5 BDBDLO O=[N+]([O-])c1cccnc1N1CCn2c[nH+]cc2C1 ZINC000290757636 132217384 /nfs/dbraw/zinc/21/73/84/132217384.db2.gz TYPQCXMOZYSZFA-UHFFFAOYSA-N 1 2 245.242 1.207 20 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C[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000125143454 590126379 /nfs/dbraw/zinc/12/63/79/590126379.db2.gz DTFLBYKKNDCPLE-MRVPVSSYSA-N 1 2 242.304 1.186 20 5 BDBDLO C[N@@H+](Cn1nccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000125143454 590126381 /nfs/dbraw/zinc/12/63/81/590126381.db2.gz DTFLBYKKNDCPLE-MRVPVSSYSA-N 1 2 242.304 1.186 20 5 BDBDLO COC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)o1 ZINC000309430269 633061714 /nfs/dbraw/zinc/06/17/14/633061714.db2.gz GCKPOCKQJAIFKG-SECBINFHSA-N 1 2 228.248 1.142 20 5 BDBDLO C[N@H+]1Cc2ccccc2[C@@H](NCC[N+](=O)[O-])C1 ZINC000905189446 637669824 /nfs/dbraw/zinc/66/98/24/637669824.db2.gz SYCJSCNFRMVTHK-LBPRGKRZSA-N 1 2 235.287 1.039 20 5 BDBDLO C[N@@H+]1Cc2ccccc2[C@@H](NCC[N+](=O)[O-])C1 ZINC000905189446 637669836 /nfs/dbraw/zinc/66/98/36/637669836.db2.gz SYCJSCNFRMVTHK-LBPRGKRZSA-N 1 2 235.287 1.039 20 5 BDBDLO Cc1cc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])on1 ZINC000929289216 646059730 /nfs/dbraw/zinc/05/97/30/646059730.db2.gz MXFOGTGZEYURLN-SECBINFHSA-N 1 2 225.248 1.397 20 5 BDBDLO Cc1cc([C@H]2CCC[N@H+]2CC[N+](=O)[O-])on1 ZINC000929289216 646059735 /nfs/dbraw/zinc/05/97/35/646059735.db2.gz MXFOGTGZEYURLN-SECBINFHSA-N 1 2 225.248 1.397 20 5 BDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)C2)C1 ZINC001169010173 969336579 /nfs/dbraw/zinc/33/65/79/969336579.db2.gz ZIEWYGZYLOMMCD-RKDXNWHRSA-N 1 2 234.246 1.773 20 5 BDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)C2)C1 ZINC001169010173 969336588 /nfs/dbraw/zinc/33/65/88/969336588.db2.gz ZIEWYGZYLOMMCD-RKDXNWHRSA-N 1 2 234.246 1.773 20 5 BDBDLO CC1(F)C[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169011874 969338337 /nfs/dbraw/zinc/33/83/37/969338337.db2.gz NDGXIVRIECIXNG-RKDXNWHRSA-N 1 2 216.256 1.476 20 5 BDBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001169010687 969340098 /nfs/dbraw/zinc/34/00/98/969340098.db2.gz FLISHULBGVPBHT-ZYUZMQFOSA-N 1 2 234.246 1.424 20 5 BDBDLO O=C1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035274 969351851 /nfs/dbraw/zinc/35/18/51/969351851.db2.gz KAJREPDPQUCCNR-UWVGGRQHSA-N 1 2 226.276 1.097 20 5 BDBDLO O=C1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169035274 969351856 /nfs/dbraw/zinc/35/18/56/969351856.db2.gz KAJREPDPQUCCNR-UWVGGRQHSA-N 1 2 226.276 1.097 20 5 BDBDLO C[NH+]1CC(OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001222789373 972697090 /nfs/dbraw/zinc/69/70/90/972697090.db2.gz LNZNOBGKFFLLCY-UHFFFAOYSA-N 1 2 222.244 1.425 20 5 BDBDLO C[N@@H+]1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621142 974603361 /nfs/dbraw/zinc/60/33/61/974603361.db2.gz CHOPSEQNYOPASW-QMMMGPOBSA-N 1 2 238.243 1.383 20 5 BDBDLO C[N@H+]1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621142 974603366 /nfs/dbraw/zinc/60/33/66/974603366.db2.gz CHOPSEQNYOPASW-QMMMGPOBSA-N 1 2 238.243 1.383 20 5 BDBDLO CN(C)c1cccc(Cn2cnc([N+](=O)[O-])c2)[nH+]1 ZINC001458893940 985360517 /nfs/dbraw/zinc/36/05/17/985360517.db2.gz NMCLTHONGAXWEP-UHFFFAOYSA-N 1 2 247.258 1.301 20 5 BDBDLO Cc1cc([N+](=O)[O-])cnc1-n1cc[nH+]c1 ZINC000111551543 178274665 /nfs/dbraw/zinc/27/46/65/178274665.db2.gz STVQILBFRIMFRW-UHFFFAOYSA-N 1 2 204.189 1.484 20 5 BDBDLO C[C@H](Cn1cc[nH+]c1)Nc1cccnc1[N+](=O)[O-] ZINC000135698322 344854415 /nfs/dbraw/zinc/85/44/15/344854415.db2.gz WIDCLNHWQSNVJF-SECBINFHSA-N 1 2 247.258 1.687 20 5 BDBDLO Cc1nc(NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000291245802 349922505 /nfs/dbraw/zinc/92/25/05/349922505.db2.gz XVNASYDESHMAAE-UHFFFAOYSA-N 1 2 247.258 1.644 20 5 BDBDLO O=[N+]([O-])c1ncccc1NCCn1cc[nH+]c1 ZINC000159290017 349956894 /nfs/dbraw/zinc/95/68/94/349956894.db2.gz FIFAFSAHEYUQDA-UHFFFAOYSA-N 1 2 233.231 1.298 20 5 BDBDLO O=[N+]([O-])c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000309510895 350685421 /nfs/dbraw/zinc/68/54/21/350685421.db2.gz PHMJQJVGUXJHQQ-UHFFFAOYSA-N 1 2 218.216 1.930 20 5 BDBDLO COc1cc(Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000034423561 355889730 /nfs/dbraw/zinc/88/97/30/355889730.db2.gz PMTDIUBNLUWYEZ-UHFFFAOYSA-N 1 2 233.227 1.848 20 5 BDBDLO CN(Cc1[nH]cc[nH+]1)c1ncc([N+](=O)[O-])s1 ZINC000443521277 193023587 /nfs/dbraw/zinc/02/35/87/193023587.db2.gz IGJFCLZNYVADGP-UHFFFAOYSA-N 1 2 239.260 1.411 20 5 BDBDLO CC1(O)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602688589 371830416 /nfs/dbraw/zinc/83/04/16/371830416.db2.gz LCYQINCTTFZYCN-XQRVVYSFSA-N 1 2 248.282 1.675 20 5 BDBDLO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)COC1 ZINC000602740902 371837118 /nfs/dbraw/zinc/83/71/18/371837118.db2.gz QUIOSUAHJDCVLP-UHFFFAOYSA-N 1 2 240.234 1.612 20 5 BDBDLO C[C@@H](CO)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339051954 383892470 /nfs/dbraw/zinc/89/24/70/383892470.db2.gz HCFGRDPCHKENBT-QMMMGPOBSA-N 1 2 240.259 1.113 20 5 BDBDLO C[C@@H](CO)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339051954 383892479 /nfs/dbraw/zinc/89/24/79/383892479.db2.gz HCFGRDPCHKENBT-QMMMGPOBSA-N 1 2 240.259 1.113 20 5 BDBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000337313738 385604012 /nfs/dbraw/zinc/60/40/12/385604012.db2.gz AVDXIZMWNCKVTH-UHFFFAOYSA-N 1 2 246.226 1.301 20 5 BDBDLO Cn1c[nH+]cc1COc1cccc([N+](=O)[O-])c1 ZINC000439551478 386592647 /nfs/dbraw/zinc/59/26/47/386592647.db2.gz PVEYYSMDLUDQKC-UHFFFAOYSA-N 1 2 233.227 1.907 20 5 BDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347354984 387837164 /nfs/dbraw/zinc/83/71/64/387837164.db2.gz PXLNCSGTWRYQLX-SNVBAGLBSA-N 1 2 242.254 1.262 20 5 BDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C)(F)C1 ZINC000347354984 387837170 /nfs/dbraw/zinc/83/71/70/387837170.db2.gz PXLNCSGTWRYQLX-SNVBAGLBSA-N 1 2 242.254 1.262 20 5 BDBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])cn1 ZINC000357601588 388394401 /nfs/dbraw/zinc/39/44/01/388394401.db2.gz YTQCJNIQYVUUTP-UHFFFAOYSA-N 1 2 233.231 1.335 20 5 BDBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489449239 388726958 /nfs/dbraw/zinc/72/69/58/388726958.db2.gz TZEHPDSFNCCWEU-SECBINFHSA-N 1 2 238.291 1.559 20 5 BDBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489449239 388726961 /nfs/dbraw/zinc/72/69/61/388726961.db2.gz TZEHPDSFNCCWEU-SECBINFHSA-N 1 2 238.291 1.559 20 5 BDBDLO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000858557771 588965773 /nfs/dbraw/zinc/96/57/73/588965773.db2.gz YZYYKWDANXVITO-VIFPVBQESA-N 1 2 245.242 1.743 20 5 BDBDLO CC[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000751201545 585225883 /nfs/dbraw/zinc/22/58/83/585225883.db2.gz CDRMYTARFMXVDS-VIFPVBQESA-N 1 2 240.259 1.161 20 5 BDBDLO CC1=C[C@H](C)C[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000797419394 586126714 /nfs/dbraw/zinc/12/67/14/586126714.db2.gz LEOSYQFFQQTEEI-VIFPVBQESA-N 1 2 236.275 1.647 20 5 BDBDLO CC1=C[C@H](C)C[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000797419394 586126715 /nfs/dbraw/zinc/12/67/15/586126715.db2.gz LEOSYQFFQQTEEI-VIFPVBQESA-N 1 2 236.275 1.647 20 5 BDBDLO CC1(F)CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000872690393 589961925 /nfs/dbraw/zinc/96/19/25/589961925.db2.gz DLMWHMMXLCPTAG-UHFFFAOYSA-N 1 2 242.254 1.573 20 5 BDBDLO O=[N+]([O-])CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934004219 631581579 /nfs/dbraw/zinc/58/15/79/631581579.db2.gz POIOELLECPLTFD-UHFFFAOYSA-N 1 2 210.233 1.521 20 5 BDBDLO O=[N+]([O-])CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004219 631581584 /nfs/dbraw/zinc/58/15/84/631581584.db2.gz POIOELLECPLTFD-UHFFFAOYSA-N 1 2 210.233 1.521 20 5 BDBDLO O=[N+]([O-])CC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000930485287 633845716 /nfs/dbraw/zinc/84/57/16/633845716.db2.gz BKCWTDSKHXKCCG-UHFFFAOYSA-N 1 2 233.271 1.447 20 5 BDBDLO O=[N+]([O-])CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000930485287 633845717 /nfs/dbraw/zinc/84/57/17/633845717.db2.gz BKCWTDSKHXKCCG-UHFFFAOYSA-N 1 2 233.271 1.447 20 5 BDBDLO Cc1ccn2cc(C[NH2+]CC[N+](=O)[O-])nc2c1 ZINC000905060771 637596080 /nfs/dbraw/zinc/59/60/80/637596080.db2.gz CTPMDKYTILYPTG-UHFFFAOYSA-N 1 2 234.259 1.009 20 5 BDBDLO O=[N+]([O-])CC[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000905167867 637679423 /nfs/dbraw/zinc/67/94/23/637679423.db2.gz LIAQDPXFYMELHW-VIFPVBQESA-N 1 2 242.662 1.640 20 5 BDBDLO O=[N+]([O-])CC[NH2+]Cc1cscc1Cl ZINC000905457949 637821903 /nfs/dbraw/zinc/82/19/03/637821903.db2.gz KDJMERUTCGHGJM-UHFFFAOYSA-N 1 2 220.681 1.768 20 5 BDBDLO C[C@H]1C[N@H+](CC[N+](=O)[O-])Cc2ccccc2O1 ZINC000930556943 639810753 /nfs/dbraw/zinc/81/07/53/639810753.db2.gz YGAXRNFDWVVCAF-JTQLQIEISA-N 1 2 236.271 1.546 20 5 BDBDLO C[C@H]1C[N@@H+](CC[N+](=O)[O-])Cc2ccccc2O1 ZINC000930556943 639810755 /nfs/dbraw/zinc/81/07/55/639810755.db2.gz YGAXRNFDWVVCAF-JTQLQIEISA-N 1 2 236.271 1.546 20 5 BDBDLO CC[C@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](CC)CO1 ZINC000930851302 639947467 /nfs/dbraw/zinc/94/74/67/639947467.db2.gz AVXWBCUITNLPOI-UWVGGRQHSA-N 1 2 216.281 1.153 20 5 BDBDLO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](CC)CO1 ZINC000930851302 639947470 /nfs/dbraw/zinc/94/74/70/639947470.db2.gz AVXWBCUITNLPOI-UWVGGRQHSA-N 1 2 216.281 1.153 20 5 BDBDLO COC[C@H](C)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001253345681 969137666 /nfs/dbraw/zinc/13/76/66/969137666.db2.gz BDBUKFNVLCUDTA-VIFPVBQESA-N 1 2 236.271 1.945 20 5 BDBDLO COC[C@H](C)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001253345681 969137673 /nfs/dbraw/zinc/13/76/73/969137673.db2.gz BDBUKFNVLCUDTA-VIFPVBQESA-N 1 2 236.271 1.945 20 5 BDBDLO Cc1nn(C[N@H+](C)CCCF)c(C)c1[N+](=O)[O-] ZINC001119337835 988975223 /nfs/dbraw/zinc/97/52/23/988975223.db2.gz KFEBQFHSNIOMCL-UHFFFAOYSA-N 1 2 244.270 1.657 20 5 BDBDLO Cc1nn(C[N@@H+](C)CCCF)c(C)c1[N+](=O)[O-] ZINC001119337835 988975228 /nfs/dbraw/zinc/97/52/28/988975228.db2.gz KFEBQFHSNIOMCL-UHFFFAOYSA-N 1 2 244.270 1.657 20 5 BDBDLO Cc1cccn2cc(C[NH2+]CC[N+](=O)[O-])nc12 ZINC001120488878 989676419 /nfs/dbraw/zinc/67/64/19/989676419.db2.gz LESACJDFOREETQ-UHFFFAOYSA-N 1 2 234.259 1.009 20 5 BDBDLO C[C@H]([NH2+]CC[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC001120521475 989695276 /nfs/dbraw/zinc/69/52/76/989695276.db2.gz MGOUTCVGJANHFA-VIFPVBQESA-N 1 2 238.291 1.147 20 5 BDBDLO C[N@H+](CC[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001262231312 992813196 /nfs/dbraw/zinc/81/31/96/992813196.db2.gz ACOQIJKWHWYPQT-UHFFFAOYSA-N 1 2 233.271 1.876 20 5 BDBDLO C[N@@H+](CC[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC001262231312 992813198 /nfs/dbraw/zinc/81/31/98/992813198.db2.gz ACOQIJKWHWYPQT-UHFFFAOYSA-N 1 2 233.271 1.876 20 5 BDBDLO CCc1ccc([C@H](COC)[NH2+]CC[N+](=O)[O-])o1 ZINC001262256758 992823346 /nfs/dbraw/zinc/82/33/46/992823346.db2.gz TZGKAAUSNWKAHM-JTQLQIEISA-N 1 2 242.275 1.396 20 5 BDBDLO Cc1cc(NCc2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000073000421 178177046 /nfs/dbraw/zinc/17/70/46/178177046.db2.gz GMEIOSWNTLPKOU-UHFFFAOYSA-N 1 2 247.258 1.644 20 5 BDBDLO Cc1c(C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000051151149 345295026 /nfs/dbraw/zinc/29/50/26/345295026.db2.gz SRAHWCOTIZEABT-UHFFFAOYSA-N 1 2 236.271 1.735 20 5 BDBDLO Cc1[nH+]cccc1Cn1nccc1[N+](=O)[O-] ZINC000589255460 346678045 /nfs/dbraw/zinc/67/80/45/346678045.db2.gz GTDPWBHCGGXCFP-UHFFFAOYSA-N 1 2 218.216 1.543 20 5 BDBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)nc1 ZINC000590567495 347469742 /nfs/dbraw/zinc/46/97/42/347469742.db2.gz KADNERGIVNHNGR-UHFFFAOYSA-N 1 2 245.242 1.276 20 5 BDBDLO Cc1noc(C[N@@H+](C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000595328016 348227407 /nfs/dbraw/zinc/22/74/07/348227407.db2.gz ULSKDBKMXYYDRE-ZETCQYMHSA-N 1 2 243.263 1.094 20 5 BDBDLO Cc1noc(C[N@H+](C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000595328016 348227409 /nfs/dbraw/zinc/22/74/09/348227409.db2.gz ULSKDBKMXYYDRE-ZETCQYMHSA-N 1 2 243.263 1.094 20 5 BDBDLO Cc1noc(C[NH+]2[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595468058 348258733 /nfs/dbraw/zinc/25/87/33/348258733.db2.gz IPXDWYAMVZDSKN-BQBZGAKWSA-N 1 2 225.248 1.874 20 5 BDBDLO Cc1nn(Cc2[nH+]ccn2C)c(C)c1[N+](=O)[O-] ZINC000048872193 180392098 /nfs/dbraw/zinc/39/20/98/180392098.db2.gz FZPVHAOXYMLQHM-UHFFFAOYSA-N 1 2 235.247 1.190 20 5 BDBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCO)c2c1 ZINC000413025960 191343792 /nfs/dbraw/zinc/34/37/92/191343792.db2.gz SNWULQBJYBVAIW-UHFFFAOYSA-N 1 2 247.254 1.359 20 5 BDBDLO CCn1cc[nH+]c1CNc1ccncc1[N+](=O)[O-] ZINC000385344044 357499979 /nfs/dbraw/zinc/49/99/79/357499979.db2.gz SWBZNVJKRXPBJU-UHFFFAOYSA-N 1 2 247.258 1.240 20 5 BDBDLO Cn1c[nH+]c(/C=C/c2ccc([N+](=O)[O-])cn2)c1 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O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853576444 588749270 /nfs/dbraw/zinc/74/92/70/588749270.db2.gz DWMMBEDBIPLZNG-RKDXNWHRSA-N 1 2 222.248 1.091 20 5 BDBDLO C[C@H](c1ccncc1)[N@H+](C)CC[N+](=O)[O-] ZINC000791055805 585973650 /nfs/dbraw/zinc/97/36/50/585973650.db2.gz YPHQDWHMURGUPW-SECBINFHSA-N 1 2 209.249 1.351 20 5 BDBDLO C[C@H](c1ccncc1)[N@@H+](C)CC[N+](=O)[O-] ZINC000791055805 585973651 /nfs/dbraw/zinc/97/36/51/585973651.db2.gz YPHQDWHMURGUPW-SECBINFHSA-N 1 2 209.249 1.351 20 5 BDBDLO CC[N@H+](CCSC)Cn1nccc1[N+](=O)[O-] ZINC000842644783 588048468 /nfs/dbraw/zinc/04/84/68/588048468.db2.gz RAPUXVRDRUJWFG-UHFFFAOYSA-N 1 2 244.320 1.434 20 5 BDBDLO CC[N@@H+](CCSC)Cn1nccc1[N+](=O)[O-] ZINC000842644783 588048469 /nfs/dbraw/zinc/04/84/69/588048469.db2.gz RAPUXVRDRUJWFG-UHFFFAOYSA-N 1 2 244.320 1.434 20 5 BDBDLO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H](CC)O1 ZINC000930749522 634087171 /nfs/dbraw/zinc/08/71/71/634087171.db2.gz QYFBZESFDCSFSH-AOOOYVTPSA-N 1 2 216.281 1.153 20 5 BDBDLO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H](CC)O1 ZINC000930749522 634087175 /nfs/dbraw/zinc/08/71/75/634087175.db2.gz QYFBZESFDCSFSH-AOOOYVTPSA-N 1 2 216.281 1.153 20 5 BDBDLO Cc1ccc(C[N@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000929282051 646060518 /nfs/dbraw/zinc/06/05/18/646060518.db2.gz GCIHNFFTQUGVCB-UHFFFAOYSA-N 1 2 224.260 1.829 20 5 BDBDLO Cc1ccc(C[N@@H+](CC[N+](=O)[O-])C2CC2)o1 ZINC000929282051 646060524 /nfs/dbraw/zinc/06/05/24/646060524.db2.gz GCIHNFFTQUGVCB-UHFFFAOYSA-N 1 2 224.260 1.829 20 5 BDBDLO O=[N+]([O-])CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000929840845 646352041 /nfs/dbraw/zinc/35/20/41/646352041.db2.gz IALWKWBOGKDNED-UHFFFAOYSA-N 1 2 242.319 1.688 20 5 BDBDLO O=[N+]([O-])CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000929840845 646352045 /nfs/dbraw/zinc/35/20/45/646352045.db2.gz IALWKWBOGKDNED-UHFFFAOYSA-N 1 2 242.319 1.688 20 5 BDBDLO CC[NH+]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005758 969331133 /nfs/dbraw/zinc/33/11/33/969331133.db2.gz CTNFAXSOHMPXJC-RYUDHWBXSA-N 1 2 241.335 1.069 20 5 BDBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2C[C@@H](F)[C@H](F)C2)C1 ZINC001169010685 969336951 /nfs/dbraw/zinc/33/69/51/969336951.db2.gz FLISHULBGVPBHT-SGIHWFKDSA-N 1 2 234.246 1.424 20 5 BDBDLO CC1(F)C[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169011872 969340327 /nfs/dbraw/zinc/34/03/27/969340327.db2.gz NDGXIVRIECIXNG-DTWKUNHWSA-N 1 2 216.256 1.476 20 5 BDBDLO C[N@@H+]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621139 974601770 /nfs/dbraw/zinc/60/17/70/974601770.db2.gz CHOPSEQNYOPASW-MRVPVSSYSA-N 1 2 238.243 1.383 20 5 BDBDLO C[N@H+]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621139 974601776 /nfs/dbraw/zinc/60/17/76/974601776.db2.gz CHOPSEQNYOPASW-MRVPVSSYSA-N 1 2 238.243 1.383 20 5 BDBDLO O=[N+]([O-])CC[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC001335985377 977403787 /nfs/dbraw/zinc/40/37/87/977403787.db2.gz DQRDEZBWKPTLKT-GHMZBOCLSA-N 1 2 224.235 1.490 20 5 BDBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCOCC1 ZINC000167408530 178271072 /nfs/dbraw/zinc/27/10/72/178271072.db2.gz REFSILKEKSFXDF-UHFFFAOYSA-N 1 2 236.271 1.735 20 5 BDBDLO Cc1cc([N+](=O)[O-])cnc1NCc1c[nH+]cn1C ZINC000357598831 178274347 /nfs/dbraw/zinc/27/43/47/178274347.db2.gz SNRFCSXJPKPGOP-UHFFFAOYSA-N 1 2 247.258 1.644 20 5 BDBDLO CN(Cc1[nH]cc[nH+]1)Cc1cccc([N+](=O)[O-])c1 ZINC000609536490 342881818 /nfs/dbraw/zinc/88/18/18/342881818.db2.gz SWYJGLBZOPRBPZ-UHFFFAOYSA-N 1 2 246.270 1.950 20 5 BDBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)CC2)cs1 ZINC000047264943 343560227 /nfs/dbraw/zinc/56/02/27/343560227.db2.gz RSHCMVCYPLISDW-UHFFFAOYSA-N 1 2 242.300 1.613 20 5 BDBDLO C[N@H+](Cc1cc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC000507114762 529982071 /nfs/dbraw/zinc/98/20/71/529982071.db2.gz AZEWDROKPRIHBR-UHFFFAOYSA-N 1 2 246.270 1.950 20 5 BDBDLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC000507114762 529982073 /nfs/dbraw/zinc/98/20/73/529982073.db2.gz AZEWDROKPRIHBR-UHFFFAOYSA-N 1 2 246.270 1.950 20 5 BDBDLO Cc1nc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000161505146 180019663 /nfs/dbraw/zinc/01/96/63/180019663.db2.gz AVUYIWUFRBKLAH-UHFFFAOYSA-N 1 2 247.258 1.607 20 5 BDBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)nc1 ZINC000025371030 350991571 /nfs/dbraw/zinc/99/15/71/350991571.db2.gz LTPUDGJTHUDRKF-UHFFFAOYSA-N 1 2 233.231 1.298 20 5 BDBDLO Cc1nn(Cc2c[nH+]ccc2C)cc1[N+](=O)[O-] ZINC000450957274 202319580 /nfs/dbraw/zinc/31/95/80/202319580.db2.gz HYSQSXVJIRKRSP-UHFFFAOYSA-N 1 2 232.243 1.851 20 5 BDBDLO Cn1c[nH+]cc1CNc1cccc([N+](=O)[O-])c1 ZINC000090165881 360060222 /nfs/dbraw/zinc/06/02/22/360060222.db2.gz MCAMMOLQIFNEEA-UHFFFAOYSA-N 1 2 232.243 1.940 20 5 BDBDLO Cc1cc[nH+]cc1Cn1cc([N+](=O)[O-])cn1 ZINC000433372444 201184578 /nfs/dbraw/zinc/18/45/78/201184578.db2.gz DOGMHLOEARFBFS-UHFFFAOYSA-N 1 2 218.216 1.543 20 5 BDBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000037668396 364457752 /nfs/dbraw/zinc/45/77/52/364457752.db2.gz OSZKYBMFVVWNRS-UHFFFAOYSA-N 1 2 232.243 1.608 20 5 BDBDLO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC000054861098 368138619 /nfs/dbraw/zinc/13/86/19/368138619.db2.gz QSXLDEUGQKPUNK-UHFFFAOYSA-N 1 2 247.258 1.013 20 5 BDBDLO O=[N+]([O-])c1cc(C[NH+]2CC(CCO)C2)cs1 ZINC000459593285 203309648 /nfs/dbraw/zinc/30/96/48/203309648.db2.gz NYQAZHHBJWVBPP-UHFFFAOYSA-N 1 2 242.300 1.471 20 5 BDBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000139848676 372206758 /nfs/dbraw/zinc/20/67/58/372206758.db2.gz SRWULPMARLXSMC-SSDOTTSWSA-N 1 2 233.231 1.886 20 5 BDBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc[nH]n1 ZINC000041014631 374045853 /nfs/dbraw/zinc/04/58/53/374045853.db2.gz SYECJULHQNWXQC-UHFFFAOYSA-N 1 2 232.243 1.608 20 5 BDBDLO O=[N+]([O-])c1cnccc1NCCn1cc[nH+]c1 ZINC000041120004 374112820 /nfs/dbraw/zinc/11/28/20/374112820.db2.gz MSPHYMKRIHWEQM-UHFFFAOYSA-N 1 2 233.231 1.298 20 5 BDBDLO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2COC2)cc1 ZINC000289529439 384133583 /nfs/dbraw/zinc/13/35/83/384133583.db2.gz GMAQSXJOHABKHD-UHFFFAOYSA-N 1 2 248.282 1.958 20 5 BDBDLO O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2COC2)cc1 ZINC000289529439 384133591 /nfs/dbraw/zinc/13/35/91/384133591.db2.gz GMAQSXJOHABKHD-UHFFFAOYSA-N 1 2 248.282 1.958 20 5 BDBDLO CN(Cc1[nH]cc[nH+]1)c1ccncc1[N+](=O)[O-] ZINC000360910890 384145165 /nfs/dbraw/zinc/14/51/65/384145165.db2.gz ZMTIZCRRKYDIOG-UHFFFAOYSA-N 1 2 233.231 1.349 20 5 BDBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106885936 384940948 /nfs/dbraw/zinc/94/09/48/384940948.db2.gz MDPOZOQCDPYYRA-VIFPVBQESA-N 1 2 242.300 1.877 20 5 BDBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106885936 384940949 /nfs/dbraw/zinc/94/09/49/384940949.db2.gz MDPOZOQCDPYYRA-VIFPVBQESA-N 1 2 242.300 1.877 20 5 BDBDLO O=[N+]([O-])c1cc2c(ncnc2-n2cc[nH+]c2)s1 ZINC000310446665 385065452 /nfs/dbraw/zinc/06/54/52/385065452.db2.gz YRDOOWZGWYMZBL-UHFFFAOYSA-N 1 2 247.239 1.785 20 5 BDBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOCC12CC2 ZINC000338589720 385259843 /nfs/dbraw/zinc/25/98/43/385259843.db2.gz BSWSNZLUBWGGNU-UHFFFAOYSA-N 1 2 248.282 1.960 20 5 BDBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOCC12CC2 ZINC000338589720 385259849 /nfs/dbraw/zinc/25/98/49/385259849.db2.gz BSWSNZLUBWGGNU-UHFFFAOYSA-N 1 2 248.282 1.960 20 5 BDBDLO [NH3+]C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414813678 386636703 /nfs/dbraw/zinc/63/67/03/386636703.db2.gz YPFJLVXZOZBJOT-LBPRGKRZSA-N 1 2 235.287 1.422 20 5 BDBDLO C[N@H+](CCF)Cc1cccc([N+](=O)[O-])c1 ZINC000268281906 386956344 /nfs/dbraw/zinc/95/63/44/386956344.db2.gz GBJBDBNTTWIZQO-UHFFFAOYSA-N 1 2 212.224 1.996 20 5 BDBDLO C[N@@H+](CCF)Cc1cccc([N+](=O)[O-])c1 ZINC000268281906 386956349 /nfs/dbraw/zinc/95/63/49/386956349.db2.gz GBJBDBNTTWIZQO-UHFFFAOYSA-N 1 2 212.224 1.996 20 5 BDBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000313449104 388684122 /nfs/dbraw/zinc/68/41/22/388684122.db2.gz XLBLTXHOJJJEIA-UHFFFAOYSA-N 1 2 246.270 1.983 20 5 BDBDLO CC[C@H]1CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331616958 388775948 /nfs/dbraw/zinc/77/59/48/388775948.db2.gz XKNTVZUBCFSUEB-QMMMGPOBSA-N 1 2 224.264 1.313 20 5 BDBDLO CC[C@H]1CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331616958 388775953 /nfs/dbraw/zinc/77/59/53/388775953.db2.gz XKNTVZUBCFSUEB-QMMMGPOBSA-N 1 2 224.264 1.313 20 5 BDBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000041014628 322834220 /nfs/dbraw/zinc/83/42/20/322834220.db2.gz HMFSYZCHRLGPCM-UHFFFAOYSA-N 1 2 232.243 1.608 20 5 BDBDLO COCC[N@H+](CC[N+](=O)[O-])Cc1ccco1 ZINC000791054373 585973016 /nfs/dbraw/zinc/97/30/16/585973016.db2.gz UEGOHFZYKNGJFS-UHFFFAOYSA-N 1 2 228.248 1.005 20 5 BDBDLO COCC[N@@H+](CC[N+](=O)[O-])Cc1ccco1 ZINC000791054373 585973017 /nfs/dbraw/zinc/97/30/17/585973017.db2.gz UEGOHFZYKNGJFS-UHFFFAOYSA-N 1 2 228.248 1.005 20 5 BDBDLO CO[C@H](C)C[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000795751159 586091695 /nfs/dbraw/zinc/09/16/95/586091695.db2.gz VZPHHRFVWLICFR-MRVPVSSYSA-N 1 2 242.279 1.024 20 5 BDBDLO CO[C@H](C)C[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000795751159 586091696 /nfs/dbraw/zinc/09/16/96/586091696.db2.gz VZPHHRFVWLICFR-MRVPVSSYSA-N 1 2 242.279 1.024 20 5 BDBDLO CN(Cc1[nH]cc[nH+]1)c1cc(N)ccc1[N+](=O)[O-] ZINC000800852399 586234282 /nfs/dbraw/zinc/23/42/82/586234282.db2.gz IKGUIVSQNQRSSZ-UHFFFAOYSA-N 1 2 247.258 1.537 20 5 BDBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCOCC1 ZINC000885973650 592119138 /nfs/dbraw/zinc/11/91/38/592119138.db2.gz XGYNHCSYNGEVQC-UHFFFAOYSA-N 1 2 237.259 1.212 20 5 BDBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCCOCC1 ZINC000885973650 592119141 /nfs/dbraw/zinc/11/91/41/592119141.db2.gz XGYNHCSYNGEVQC-UHFFFAOYSA-N 1 2 237.259 1.212 20 5 BDBDLO O=[N+]([O-])CC[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000905175431 637684254 /nfs/dbraw/zinc/68/42/54/637684254.db2.gz IOQDCMIKLUIZPN-UHFFFAOYSA-N 1 2 238.291 1.365 20 5 BDBDLO CCCc1nc(C)c(C[NH2+]CC[N+](=O)[O-])o1 ZINC000905262233 637716392 /nfs/dbraw/zinc/71/63/92/637716392.db2.gz KUSKKKYDTLPYPC-UHFFFAOYSA-N 1 2 227.264 1.302 20 5 BDBDLO Cc1cc([NH+](C)C)ccc1NCC[N+](=O)[O-] ZINC000905299978 637760852 /nfs/dbraw/zinc/76/08/52/637760852.db2.gz MSDFOHQUXGLVBB-UHFFFAOYSA-N 1 2 223.276 1.750 20 5 BDBDLO C[C@@H]1C[N@H+](CC[N+](=O)[O-])Cc2ccccc2O1 ZINC000930556944 639810653 /nfs/dbraw/zinc/81/06/53/639810653.db2.gz YGAXRNFDWVVCAF-SNVBAGLBSA-N 1 2 236.271 1.546 20 5 BDBDLO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])Cc2ccccc2O1 ZINC000930556944 639810654 /nfs/dbraw/zinc/81/06/54/639810654.db2.gz YGAXRNFDWVVCAF-SNVBAGLBSA-N 1 2 236.271 1.546 20 5 BDBDLO O=[N+]([O-])c1ccc(Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000090360505 644588949 /nfs/dbraw/zinc/58/89/49/644588949.db2.gz JMVDNLSBQPQZDV-UHFFFAOYSA-N 1 2 248.198 1.748 20 5 BDBDLO CC[N@H+](CC[N+](=O)[O-])Cc1ccncc1 ZINC000930154176 646461810 /nfs/dbraw/zinc/46/18/10/646461810.db2.gz ZTQDQWSRBHMHEX-UHFFFAOYSA-N 1 2 209.249 1.180 20 5 BDBDLO CC[N@@H+](CC[N+](=O)[O-])Cc1ccncc1 ZINC000930154176 646461812 /nfs/dbraw/zinc/46/18/12/646461812.db2.gz ZTQDQWSRBHMHEX-UHFFFAOYSA-N 1 2 209.249 1.180 20 5 BDBDLO O=[N+]([O-])c1cnc(NCCCn2cc[nH+]c2)cn1 ZINC001161688285 964687220 /nfs/dbraw/zinc/68/72/20/964687220.db2.gz NZURGPCAAIZJEK-UHFFFAOYSA-N 1 2 248.246 1.084 20 5 BDBDLO C[NH+]1CC(OCc2ccccc2[N+](=O)[O-])C1 ZINC001222762985 972687572 /nfs/dbraw/zinc/68/75/72/972687572.db2.gz OYJWCQKQCNFIPP-UHFFFAOYSA-N 1 2 222.244 1.425 20 5 BDBDLO O=[N+]([O-])CC[NH2+]Cc1cc(-c2ccccc2)no1 ZINC001336738870 977896300 /nfs/dbraw/zinc/89/63/00/977896300.db2.gz HAXRDBKMDXQRCQ-UHFFFAOYSA-N 1 2 247.254 1.708 20 5 BDBDLO Cc1[nH]c(CNc2cccnc2[N+](=O)[O-])[nH+]c1C ZINC001337970800 978579640 /nfs/dbraw/zinc/57/96/40/978579640.db2.gz KAKHNBPZTSTRGN-UHFFFAOYSA-N 1 2 247.258 1.942 20 5 BDBDLO O=[N+]([O-])c1ccc(-n2c[nH+]c(CCCO)c2)cn1 ZINC000609802289 342915085 /nfs/dbraw/zinc/91/50/85/342915085.db2.gz OCISJUSKOJWMKT-UHFFFAOYSA-N 1 2 248.242 1.100 20 5 BDBDLO CN(C)c1ccc(Cn2cc([N+](=O)[O-])cn2)c[nH+]1 ZINC000600515907 344253429 /nfs/dbraw/zinc/25/34/29/344253429.db2.gz JUASXSAEEAUKTB-UHFFFAOYSA-N 1 2 247.258 1.301 20 5 BDBDLO CC1(O)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000084356421 344422410 /nfs/dbraw/zinc/42/24/10/344422410.db2.gz GTDQPHCJHMAGFW-UHFFFAOYSA-N 1 2 222.244 1.161 20 5 BDBDLO Cc1noc(C[N@@H+](C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000595328015 348227486 /nfs/dbraw/zinc/22/74/86/348227486.db2.gz ULSKDBKMXYYDRE-SSDOTTSWSA-N 1 2 243.263 1.094 20 5 BDBDLO Cc1noc(C[N@H+](C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000595328015 348227489 /nfs/dbraw/zinc/22/74/89/348227489.db2.gz ULSKDBKMXYYDRE-SSDOTTSWSA-N 1 2 243.263 1.094 20 5 BDBDLO Cc1nn(Cc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000598713484 349025365 /nfs/dbraw/zinc/02/53/65/349025365.db2.gz MFALXWCLDNIWJC-UHFFFAOYSA-N 1 2 232.243 1.851 20 5 BDBDLO O=[N+]([O-])c1c(NCCCO)ccc2c[nH+]ccc21 ZINC000599012761 349076287 /nfs/dbraw/zinc/07/62/87/349076287.db2.gz BWLVPHICNXFZFF-UHFFFAOYSA-N 1 2 247.254 1.937 20 5 BDBDLO C[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599014341 349082234 /nfs/dbraw/zinc/08/22/34/349082234.db2.gz AAYCHLSCHWPLGE-QMMMGPOBSA-N 1 2 247.254 1.936 20 5 BDBDLO Cc1nn(CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000273579864 180387129 /nfs/dbraw/zinc/38/71/29/180387129.db2.gz OFTNYVYWMUTMDA-UHFFFAOYSA-N 1 2 235.247 1.387 20 5 BDBDLO O=C(Cn1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000010809350 357365068 /nfs/dbraw/zinc/36/50/68/357365068.db2.gz WZCJSFXMVCVWQO-UHFFFAOYSA-N 1 2 246.226 1.430 20 5 BDBDLO Cn1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000112343205 383919233 /nfs/dbraw/zinc/91/92/33/383919233.db2.gz FQZZLUWWRVBOSX-UHFFFAOYSA-N 1 2 246.270 1.618 20 5 BDBDLO O=[N+]([O-])c1ccnn1CCCn1cc[nH+]c1 ZINC000185529233 386578102 /nfs/dbraw/zinc/57/81/02/386578102.db2.gz RLTPLPUYMKUCPN-UHFFFAOYSA-N 1 2 221.220 1.078 20 5 BDBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cocn1 ZINC000237938231 388399683 /nfs/dbraw/zinc/39/96/83/388399683.db2.gz NPYXTPQVPDEPDJ-UHFFFAOYSA-N 1 2 233.227 1.873 20 5 BDBDLO Cc1cnc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000428122199 388719560 /nfs/dbraw/zinc/71/95/60/388719560.db2.gz RTZLGBFHMRBYRW-UHFFFAOYSA-N 1 2 247.258 1.658 20 5 BDBDLO [NH3+]C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000123429944 388732245 /nfs/dbraw/zinc/73/22/45/388732245.db2.gz KDTCIRWJTUCWBF-LBPRGKRZSA-N 1 2 235.287 1.518 20 5 BDBDLO O=[N+]([O-])c1cccc(F)c1Cn1cc[nH+]c1 ZINC000103465628 397780531 /nfs/dbraw/zinc/78/05/31/397780531.db2.gz QETKAOVUSMQPRI-UHFFFAOYSA-N 1 2 221.191 1.979 20 5 BDBDLO CCn1c(C)nc([N+](=O)[O-])c1-n1cc[nH+]c1 ZINC000288133856 172137659 /nfs/dbraw/zinc/13/76/59/172137659.db2.gz MTWKETUMRNLMPW-UHFFFAOYSA-N 1 2 221.220 1.305 20 5 BDBDLO CNc1ccc(Nc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC000340154995 173209526 /nfs/dbraw/zinc/20/95/26/173209526.db2.gz NJASRLMCMUZZIQ-UHFFFAOYSA-N 1 2 245.242 1.014 20 5 BDBDLO O=[N+]([O-])CC[N@@H+]1CC2(CCC2)[C@H]1c1ccncc1 ZINC000899893621 584248541 /nfs/dbraw/zinc/24/85/41/584248541.db2.gz UEGQWSSBMLXEBP-GFCCVEGCSA-N 1 2 247.298 1.885 20 5 BDBDLO O=[N+]([O-])CC[N@H+]1CC2(CCC2)[C@H]1c1ccncc1 ZINC000899893621 584248543 /nfs/dbraw/zinc/24/85/43/584248543.db2.gz UEGQWSSBMLXEBP-GFCCVEGCSA-N 1 2 247.298 1.885 20 5 BDBDLO O=[N+]([O-])c1ccc(/C=C\c2[nH]cc[nH+]2)nc1 ZINC000753148014 585254381 /nfs/dbraw/zinc/25/43/81/585254381.db2.gz SVCSNFNOENOEAU-RQOWECAXSA-N 1 2 216.200 1.883 20 5 BDBDLO COc1ccc(C[N@H+](C)CC[N+](=O)[O-])cc1O ZINC000791054231 585973402 /nfs/dbraw/zinc/97/34/02/585973402.db2.gz YVCQRTVEQLRAGE-UHFFFAOYSA-N 1 2 240.259 1.109 20 5 BDBDLO COc1ccc(C[N@@H+](C)CC[N+](=O)[O-])cc1O ZINC000791054231 585973403 /nfs/dbraw/zinc/97/34/03/585973403.db2.gz YVCQRTVEQLRAGE-UHFFFAOYSA-N 1 2 240.259 1.109 20 5 BDBDLO Cc1nn(C[N@@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000797823435 586132390 /nfs/dbraw/zinc/13/23/90/586132390.db2.gz XSJFYASTGSIROT-UHFFFAOYSA-N 1 2 236.275 1.709 20 5 BDBDLO Cc1nn(C[N@H+]2CCC=C(C)C2)cc1[N+](=O)[O-] ZINC000797823435 586132391 /nfs/dbraw/zinc/13/23/91/586132391.db2.gz XSJFYASTGSIROT-UHFFFAOYSA-N 1 2 236.275 1.709 20 5 BDBDLO Cc1ncsc1C[N@H+](C)CC[N+](=O)[O-] ZINC000798195979 586139782 /nfs/dbraw/zinc/13/97/82/586139782.db2.gz RNISVZJSCSUCCA-UHFFFAOYSA-N 1 2 215.278 1.160 20 5 BDBDLO Cc1ncsc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000798195979 586139783 /nfs/dbraw/zinc/13/97/83/586139783.db2.gz RNISVZJSCSUCCA-UHFFFAOYSA-N 1 2 215.278 1.160 20 5 BDBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1-n1cc[nH+]c1 ZINC000804327703 586391853 /nfs/dbraw/zinc/39/18/53/586391853.db2.gz AFSPNXZVJAFLPG-UHFFFAOYSA-N 1 2 234.171 1.689 20 5 BDBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCSCC1 ZINC000885956434 592114356 /nfs/dbraw/zinc/11/43/56/592114356.db2.gz PLBRHEQFXBFANU-UHFFFAOYSA-N 1 2 239.300 1.539 20 5 BDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H]1CO ZINC000934028490 631626503 /nfs/dbraw/zinc/62/65/03/631626503.db2.gz YHEQXSNTOZDULT-SNVBAGLBSA-N 1 2 240.234 1.301 20 5 BDBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]1CO ZINC000934028490 631626506 /nfs/dbraw/zinc/62/65/06/631626506.db2.gz YHEQXSNTOZDULT-SNVBAGLBSA-N 1 2 240.234 1.301 20 5 BDBDLO COC[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(C)o1 ZINC000309430271 633062322 /nfs/dbraw/zinc/06/23/22/633062322.db2.gz GCKPOCKQJAIFKG-VIFPVBQESA-N 1 2 228.248 1.142 20 5 BDBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000905023983 637573892 /nfs/dbraw/zinc/57/38/92/637573892.db2.gz GXDMLDZKEAXGFI-MRVPVSSYSA-N 1 2 234.259 1.490 20 5 BDBDLO Cc1ccc(C[N@H+](C)CC[N+](=O)[O-])nc1 ZINC000930614127 639823950 /nfs/dbraw/zinc/82/39/50/639823950.db2.gz FSLONTSDYHBWKF-UHFFFAOYSA-N 1 2 209.249 1.099 20 5 BDBDLO Cc1ccc(C[N@@H+](C)CC[N+](=O)[O-])nc1 ZINC000930614127 639823952 /nfs/dbraw/zinc/82/39/52/639823952.db2.gz FSLONTSDYHBWKF-UHFFFAOYSA-N 1 2 209.249 1.099 20 5 BDBDLO O=[N+]([O-])CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000931056990 640043748 /nfs/dbraw/zinc/04/37/48/640043748.db2.gz IXVUSHTVSOBVKA-UHFFFAOYSA-N 1 2 240.303 1.154 20 5 BDBDLO O=[N+]([O-])CC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000931056990 640043753 /nfs/dbraw/zinc/04/37/53/640043753.db2.gz IXVUSHTVSOBVKA-UHFFFAOYSA-N 1 2 240.303 1.154 20 5 BDBDLO O=[N+]([O-])c1cnn(C[NH+]2C3CCC2CC3)c1 ZINC000914566206 641737188 /nfs/dbraw/zinc/73/71/88/641737188.db2.gz VSSZWGSNXAFCBD-UHFFFAOYSA-N 1 2 222.248 1.376 20 5 BDBDLO