smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009671 969333418 /nfs/dbraw/zinc/33/34/18/969333418.db2.gz XCIULFPSKWZYKC-WHOHXGKFSA-N 0 3 242.319 1.541 20 5 BDBDHN O=C1CCCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169021007 969362741 /nfs/dbraw/zinc/36/27/41/969362741.db2.gz NECWRFHFADIJHN-MNOVXSKESA-N 0 3 240.303 1.487 20 5 BDBDHN CN1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233855625 978712612 /nfs/dbraw/zinc/71/26/12/978712612.db2.gz UUSMYCUWILMDAM-SECBINFHSA-N 0 3 223.232 1.073 20 5 BDBDHN Cc1ccnc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158347924 963853117 /nfs/dbraw/zinc/85/31/17/963853117.db2.gz ACJSJLURIIDHHA-QMMMGPOBSA-N 0 3 247.258 1.504 20 5 BDBDHN O=[N+]([O-])c1cc2c(cc1NCC1COC1)CNC2 ZINC001161949187 964831857 /nfs/dbraw/zinc/83/18/57/964831857.db2.gz KMZPMTQBDXXNMM-UHFFFAOYSA-N 0 3 249.270 1.256 20 5 BDBDHN CN(C)C1(C)CN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001165116916 965962953 /nfs/dbraw/zinc/96/29/53/965962953.db2.gz MVNDOSAYTRWWMF-UHFFFAOYSA-N 0 3 236.275 1.130 20 5 BDBDHN COCCN(CC[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC001332980985 975354004 /nfs/dbraw/zinc/35/40/04/975354004.db2.gz OVESKXKKTZVXSH-WDEREUQCSA-N 0 3 230.308 1.400 20 5 BDBDHN CC(COC(=O)[C@@H](C)[C@H]1CCCO1)[N+](=O)[O-] ZINC001344806478 980470662 /nfs/dbraw/zinc/47/06/62/980470662.db2.gz DBFCTYBZXCCNML-XHNCKOQMSA-N 0 3 231.248 1.010 20 5 BDBDHN Cc1cnc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC001346123539 980761576 /nfs/dbraw/zinc/76/15/76/980761576.db2.gz MSZMCEACIUGALF-SECBINFHSA-N 0 3 238.243 1.520 20 5 BDBDHN C[C@H]1COC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000688052079 985541442 /nfs/dbraw/zinc/54/14/42/985541442.db2.gz ZOHURNPAEGWJJF-JOYOIKCWSA-N 0 3 236.271 1.719 20 5 BDBDHN C[C@H](CNCC[N+](=O)[O-])c1ccccn1 ZINC001120576088 989747943 /nfs/dbraw/zinc/74/79/43/989747943.db2.gz CAGPDUIWRAEBOY-SECBINFHSA-N 0 3 209.249 1.051 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](O)C1 ZINC000183252322 178271206 /nfs/dbraw/zinc/27/12/06/178271206.db2.gz KWCXPWJJFVVADO-GFCCVEGCSA-N 0 3 236.271 1.470 20 5 BDBDHN CC(C)(CCO)NCc1csc([N+](=O)[O-])c1 ZINC000127122023 342907015 /nfs/dbraw/zinc/90/70/15/342907015.db2.gz STSRAMXKVZOERD-UHFFFAOYSA-N 0 3 244.316 1.907 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCC[C@H]32)c1 ZINC000610762458 344151774 /nfs/dbraw/zinc/15/17/74/344151774.db2.gz GLKRWAYKZXWIPK-GXSJLCMTSA-N 0 3 236.275 1.276 20 5 BDBDHN CN(C)C1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000612448832 344897125 /nfs/dbraw/zinc/89/71/25/344897125.db2.gz LMHNAZHLXMCCKX-UHFFFAOYSA-N 0 3 227.289 1.407 20 5 BDBDHN Cc1cnc(N2CCNC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000203535527 345731094 /nfs/dbraw/zinc/73/10/94/345731094.db2.gz KYTHIHKQJUAHAS-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC/C=C/CO)cc1 ZINC000594974938 348162785 /nfs/dbraw/zinc/16/27/85/348162785.db2.gz OHOFDSPRUBKYCI-OWOJBTEDSA-N 0 3 222.244 1.233 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)cn1 ZINC000344802552 353116790 /nfs/dbraw/zinc/11/67/90/353116790.db2.gz YAZAOEPTMJWUTH-UHFFFAOYSA-N 0 3 248.286 1.274 20 5 BDBDHN CC(C)(NCCCO)c1ccccc1[N+](=O)[O-] ZINC000292113297 188037122 /nfs/dbraw/zinc/03/71/22/188037122.db2.gz JGMZMVSLLQQCHH-UHFFFAOYSA-N 0 3 238.287 1.802 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@H](O)C1 ZINC000449753506 202022397 /nfs/dbraw/zinc/02/23/97/202022397.db2.gz OYVIQMAPVKRQAA-KLPPZKSPSA-N 0 3 236.271 1.516 20 5 BDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cn1)N(C)C ZINC000037985925 356456717 /nfs/dbraw/zinc/45/67/17/356456717.db2.gz PHMARNVJYHHEJB-MRVPVSSYSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@@H](CN(C)C)Nc1cccnc1[N+](=O)[O-] ZINC000122912774 368949245 /nfs/dbraw/zinc/94/92/45/368949245.db2.gz DVDPKEODYFYHNG-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN Cc1ccc(NC(=O)[C@H](C)N)cc1[N+](=O)[O-] ZINC000019435488 371145409 /nfs/dbraw/zinc/14/54/09/371145409.db2.gz ZYZYDVUJNMDGDN-ZETCQYMHSA-N 0 3 223.232 1.189 20 5 BDBDHN C[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602474815 371809277 /nfs/dbraw/zinc/80/92/77/371809277.db2.gz SIBAHBXRVVPUEU-RKDXNWHRSA-N 0 3 238.291 1.416 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@@H](C)C[C@@H]1C ZINC000602819598 371842602 /nfs/dbraw/zinc/84/26/02/371842602.db2.gz CVHCKFZXLCUUMX-IUCAKERBSA-N 0 3 238.291 1.582 20 5 BDBDHN CN1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040672421 373586377 /nfs/dbraw/zinc/58/63/77/373586377.db2.gz CKJFGTKBCNWNOP-LBPRGKRZSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000178021732 384194821 /nfs/dbraw/zinc/19/48/21/384194821.db2.gz WIMAJICTUPDPNT-LBPRGKRZSA-N 0 3 236.271 1.552 20 5 BDBDHN C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157346104 384374140 /nfs/dbraw/zinc/37/41/40/384374140.db2.gz QYUGFAZHVDVNPA-SNVBAGLBSA-N 0 3 238.291 1.666 20 5 BDBDHN CC(C)[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000134697556 384386406 /nfs/dbraw/zinc/38/64/06/384386406.db2.gz VCERSWLJCNVUSN-LBPRGKRZSA-N 0 3 238.287 1.701 20 5 BDBDHN Cc1c([C@H](C)NCCO)cccc1[N+](=O)[O-] ZINC000166485634 384390597 /nfs/dbraw/zinc/39/05/97/384390597.db2.gz WFJKQNYQTCDOCF-VIFPVBQESA-N 0 3 224.260 1.546 20 5 BDBDHN C[C@@H](CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000097436120 384520290 /nfs/dbraw/zinc/52/02/90/384520290.db2.gz BVKJNTFKBGRARF-JTQLQIEISA-N 0 3 238.287 1.703 20 5 BDBDHN Cc1c(CN(C)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000135506098 385033089 /nfs/dbraw/zinc/03/30/89/385033089.db2.gz FCTIFWBQSIXTAM-VIFPVBQESA-N 0 3 238.287 1.716 20 5 BDBDHN C[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608930 386820406 /nfs/dbraw/zinc/82/04/06/386820406.db2.gz DQFUQXMCIMVINP-YUMQZZPRSA-N 0 3 239.275 1.208 20 5 BDBDHN C[C@H](NC(=O)C1(N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000088130257 386841387 /nfs/dbraw/zinc/84/13/87/386841387.db2.gz LLIDKPGAMPFXSS-QMMMGPOBSA-N 0 3 249.270 1.263 20 5 BDBDHN Cc1nc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000268518479 387021369 /nfs/dbraw/zinc/02/13/69/387021369.db2.gz UHXMLZOUQJMJKH-UHFFFAOYSA-N 0 3 238.291 1.296 20 5 BDBDHN C[C@@H]1C[C@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000548097560 388095691 /nfs/dbraw/zinc/09/56/91/388095691.db2.gz PWDQDCHGIKWRTG-DTORHVGOSA-N 0 3 224.264 1.274 20 5 BDBDHN C[C@H](NCCC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036746823 388259273 /nfs/dbraw/zinc/25/92/73/388259273.db2.gz GTQKLPXOFDVPNF-QMMMGPOBSA-N 0 3 237.259 1.121 20 5 BDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000271719750 388399414 /nfs/dbraw/zinc/39/94/14/388399414.db2.gz JIVIGFNIMFAATA-UHFFFAOYSA-N 0 3 221.260 1.345 20 5 BDBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)CO ZINC000125730214 388805655 /nfs/dbraw/zinc/80/56/55/388805655.db2.gz NJTQPKVRSSLTTK-HTQZYQBOSA-N 0 3 244.316 1.763 20 5 BDBDHN C[C@@H](NCCO)c1cccc([N+](=O)[O-])c1 ZINC000020360729 388763037 /nfs/dbraw/zinc/76/30/37/388763037.db2.gz QFUSQBAIJZLQPX-MRVPVSSYSA-N 0 3 210.233 1.238 20 5 BDBDHN CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000129201037 388824553 /nfs/dbraw/zinc/82/45/53/388824553.db2.gz GOGJHCURQGAPHC-SNVBAGLBSA-N 0 3 249.270 1.221 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN[C@H](C)C2)c1 ZINC000094659267 132239086 /nfs/dbraw/zinc/23/90/86/132239086.db2.gz LAVDCKCLOMYXKM-SNVBAGLBSA-N 0 3 235.287 1.701 20 5 BDBDHN Cc1cc(N2CCNC[C@H]2C)ncc1[N+](=O)[O-] ZINC000261538176 135175798 /nfs/dbraw/zinc/17/57/98/135175798.db2.gz NOJXRTUWDPWANP-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN CC1(CNCc2ccccc2[N+](=O)[O-])COC1 ZINC000070987659 168044480 /nfs/dbraw/zinc/04/44/80/168044480.db2.gz UCTPYBQKSDZZNA-UHFFFAOYSA-N 0 3 236.271 1.721 20 5 BDBDHN CC1CCN(CCn2nccc2[N+](=O)[O-])CC1 ZINC000128051609 168182801 /nfs/dbraw/zinc/18/28/01/168182801.db2.gz IVQYGBROCXARJC-UHFFFAOYSA-N 0 3 238.291 1.523 20 5 BDBDHN CN1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000049100026 173033280 /nfs/dbraw/zinc/03/32/80/173033280.db2.gz GRJBMPZVWWMFOG-SECBINFHSA-N 0 3 236.275 1.496 20 5 BDBDHN C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176286234 176108883 /nfs/dbraw/zinc/10/88/83/176108883.db2.gz QSFSJZDEWMRLET-SECBINFHSA-N 0 3 224.264 1.276 20 5 BDBDHN C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174881791 176109069 /nfs/dbraw/zinc/10/90/69/176109069.db2.gz KQHBMNINHDWEME-SECBINFHSA-N 0 3 224.264 1.276 20 5 BDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)[C@@H](C)CN1 ZINC000226766704 177278023 /nfs/dbraw/zinc/27/80/23/177278023.db2.gz XBOCZKLNVBYKRR-BQBZGAKWSA-N 0 3 242.304 1.238 20 5 BDBDHN C[C@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000135310285 177402020 /nfs/dbraw/zinc/40/20/20/177402020.db2.gz NZFCKOXCSVUYPW-SKDRFNHKSA-N 0 3 236.271 1.862 20 5 BDBDHN N[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399233853 323200991 /nfs/dbraw/zinc/20/09/91/323200991.db2.gz QBRQMLBAIIAKGD-NSHDSACASA-N 0 3 249.270 1.661 20 5 BDBDHN COc1cccc([N+](=O)[O-])c1N1CCNCC1 ZINC000147770198 488056652 /nfs/dbraw/zinc/05/66/52/488056652.db2.gz CQIQJKTXEVOJOQ-UHFFFAOYSA-N 0 3 237.259 1.013 20 5 BDBDHN CC(COC(=O)[C@H]1CC12CCCC2)[N+](=O)[O-] ZINC000813102708 582580510 /nfs/dbraw/zinc/58/05/10/582580510.db2.gz JFVNDFCUWUOPHT-DTWKUNHWSA-N 0 3 227.260 1.775 20 5 BDBDHN CC[C@H](C)[C@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107084 582581447 /nfs/dbraw/zinc/58/14/47/582581447.db2.gz JJXZWSXMBPCKTJ-YIZRAAEISA-N 0 3 233.264 1.256 20 5 BDBDHN CCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104771 582581036 /nfs/dbraw/zinc/58/10/36/582581036.db2.gz REPSTXLYOWCUJS-MRVPVSSYSA-N 0 3 203.238 1.775 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813108584 582585659 /nfs/dbraw/zinc/58/56/59/582585659.db2.gz ZYPSAMARKPHJJN-ZJUUUORDSA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813110165 582587414 /nfs/dbraw/zinc/58/74/14/582587414.db2.gz UDIMQQXPABXIGJ-LURJTMIESA-N 0 3 245.181 1.787 20 5 BDBDHN CC(COC(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813110166 582587630 /nfs/dbraw/zinc/58/76/30/582587630.db2.gz UDIMQQXPABXIGJ-ZCFIWIBFSA-N 0 3 245.181 1.787 20 5 BDBDHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813114076 582591504 /nfs/dbraw/zinc/59/15/04/582591504.db2.gz YJDIPNRZQCDGLE-LURJTMIESA-N 0 3 241.199 1.304 20 5 BDBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115600 582592401 /nfs/dbraw/zinc/59/24/01/582592401.db2.gz WCXZLYDOIIKQMW-IVGLGHLBSA-N 0 3 213.233 1.551 20 5 BDBDHN CCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892441094 582887621 /nfs/dbraw/zinc/88/76/21/582887621.db2.gz KGUWMSGTQOWDGQ-UHFFFAOYSA-N 0 3 240.259 1.809 20 5 BDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000893940782 583254762 /nfs/dbraw/zinc/25/47/62/583254762.db2.gz QBFYRGOZOXSOBW-ZWNOBZJWSA-N 0 3 247.298 1.735 20 5 BDBDHN C[C@@H](CCc1ccccc1)NCC[N+](=O)[O-] ZINC000899856884 584243787 /nfs/dbraw/zinc/24/37/87/584243787.db2.gz XFWJIEOMMBNNFQ-NSHDSACASA-N 0 3 222.288 1.874 20 5 BDBDHN Cc1nc2ccccc2n1CCNCC[N+](=O)[O-] ZINC000899876308 584245165 /nfs/dbraw/zinc/24/51/65/584245165.db2.gz PWHBRCXRGNQMEE-UHFFFAOYSA-N 0 3 248.286 1.211 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCC2(CCCC2)O1 ZINC000899891260 584245961 /nfs/dbraw/zinc/24/59/61/584245961.db2.gz NLIBKROCMUMYAM-JTQLQIEISA-N 0 3 228.292 1.345 20 5 BDBDHN CC(C)[C@H]1N(CC[N+](=O)[O-])CC12CC=CC2 ZINC000899891510 584246381 /nfs/dbraw/zinc/24/63/81/584246381.db2.gz PTDGQQJCNVKICB-LLVKDONJSA-N 0 3 224.304 1.940 20 5 BDBDHN O=[N+]([O-])CCNCCc1noc2ccccc12 ZINC000899891400 584246499 /nfs/dbraw/zinc/24/64/99/584246499.db2.gz OTDLHEZIQUYXFE-UHFFFAOYSA-N 0 3 235.243 1.237 20 5 BDBDHN CCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579878 585701100 /nfs/dbraw/zinc/70/11/00/585701100.db2.gz PLBIXTGVKIQIRW-GFCCVEGCSA-N 0 3 238.287 1.970 20 5 BDBDHN CC(COC(=O)CC[C@H]1CCOC1)[N+](=O)[O-] ZINC000813102389 586591893 /nfs/dbraw/zinc/59/18/93/586591893.db2.gz QUVHMOCRRKSXHW-IUCAKERBSA-N 0 3 231.248 1.012 20 5 BDBDHN CO[C@@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103411 586591953 /nfs/dbraw/zinc/59/19/53/586591953.db2.gz PXQQCBPYVRFXGN-SFYZADRCSA-N 0 3 219.237 1.010 20 5 BDBDHN Cc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102177 586591969 /nfs/dbraw/zinc/59/19/69/586591969.db2.gz CDWWWSGAVLPEAV-SNVBAGLBSA-N 0 3 237.255 1.746 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CCOC1)[N+](=O)[O-] ZINC000813102390 586592039 /nfs/dbraw/zinc/59/20/39/586592039.db2.gz QUVHMOCRRKSXHW-RKDXNWHRSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)c1ccc2cc[nH]c2n1)[N+](=O)[O-] ZINC000813103165 586592097 /nfs/dbraw/zinc/59/20/97/586592097.db2.gz YOSULALGXNPEMZ-SSDOTTSWSA-N 0 3 249.226 1.385 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H]1C(F)F)[N+](=O)[O-] ZINC000813104738 586592362 /nfs/dbraw/zinc/59/23/62/586592362.db2.gz GLCHUMOQCMSDTK-ZLUOBGJFSA-N 0 3 223.175 1.096 20 5 BDBDHN CC(COC(=O)/C=C1\CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813105592 586592368 /nfs/dbraw/zinc/59/23/68/586592368.db2.gz PWAMLXSYWVFRGG-BBYBQBAKSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)[C@@H](C)OCC1CC1)[N+](=O)[O-] ZINC000813103682 586592404 /nfs/dbraw/zinc/59/24/04/586592404.db2.gz FFZMBLHXKDICEA-HTQZYQBOSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)[C@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813103870 586592490 /nfs/dbraw/zinc/59/24/90/586592490.db2.gz HNGOLMSGEPBCQO-RQJHMYQMSA-N 0 3 237.202 1.630 20 5 BDBDHN COC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103804 586592508 /nfs/dbraw/zinc/59/25/08/586592508.db2.gz UIAFSCCHZDTSLP-ZETCQYMHSA-N 0 3 219.237 1.010 20 5 BDBDHN CCN1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104203 586592552 /nfs/dbraw/zinc/59/25/52/586592552.db2.gz YABOUQXGMRJTIB-VHSXEESVSA-N 0 3 244.291 1.069 20 5 BDBDHN CCCc1cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]1 ZINC000813106728 586592723 /nfs/dbraw/zinc/59/27/23/586592723.db2.gz GILIILIOSLZPMM-SSDOTTSWSA-N 0 3 241.247 1.184 20 5 BDBDHN CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107011 586592965 /nfs/dbraw/zinc/59/29/65/586592965.db2.gz KCMVRMZGZZJVIH-SSDOTTSWSA-N 0 3 203.238 1.631 20 5 BDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109809 586593079 /nfs/dbraw/zinc/59/30/79/586593079.db2.gz PFEJMNPBXIMCFD-MRVPVSSYSA-N 0 3 239.227 1.517 20 5 BDBDHN CC(COC(=O)C[C@@H](C)C1CC1)[N+](=O)[O-] ZINC000813108990 586593229 /nfs/dbraw/zinc/59/32/29/586593229.db2.gz DAVMISQDSVSGSG-SFYZADRCSA-N 0 3 215.249 1.631 20 5 BDBDHN CCc1oc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813108871 586593347 /nfs/dbraw/zinc/59/33/47/586593347.db2.gz BKOGVVHMLBLGOJ-QMMMGPOBSA-N 0 3 241.243 1.972 20 5 BDBDHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]1 ZINC000813111428 586593411 /nfs/dbraw/zinc/59/34/11/586593411.db2.gz HCDVYWVLZBREGZ-SSDOTTSWSA-N 0 3 241.247 1.355 20 5 BDBDHN CC[C@H](C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115311 586593792 /nfs/dbraw/zinc/59/37/92/586593792.db2.gz OUDMHIGTULUVPP-YUMQZZPRSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813112816 586593870 /nfs/dbraw/zinc/59/38/70/586593870.db2.gz LXUJDECZGVFDEU-SSDOTTSWSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)C[C@@H]1CCC(=O)[C@H]1C)[N+](=O)[O-] ZINC000813112794 586594000 /nfs/dbraw/zinc/59/40/00/586594000.db2.gz LIMCTUKOGPSZHO-VGMNWLOBSA-N 0 3 243.259 1.200 20 5 BDBDHN CCO[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813115677 586594297 /nfs/dbraw/zinc/59/42/97/586594297.db2.gz XNOYVQUKPVWJNM-UWVGGRQHSA-N 0 3 247.291 1.646 20 5 BDBDHN CC/C=C(/C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115718 586594437 /nfs/dbraw/zinc/59/44/37/586594437.db2.gz YPZRZODHEMGADK-TVSKSKRASA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000817739874 586823860 /nfs/dbraw/zinc/82/38/60/586823860.db2.gz QDZKRLAWIQIKFS-RGOKHQFPSA-N 0 3 227.260 1.631 20 5 BDBDHN CC(COC(=O)CCCC(=O)C1CC1)[N+](=O)[O-] ZINC000835453604 587802872 /nfs/dbraw/zinc/80/28/72/587802872.db2.gz DKWNDDCVXOASLZ-QMMMGPOBSA-N 0 3 243.259 1.344 20 5 BDBDHN CC[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835455323 587803013 /nfs/dbraw/zinc/80/30/13/587803013.db2.gz OGOGWIACSJSISG-XLPZGREQSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(COC(=O)C[C@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577045 588233952 /nfs/dbraw/zinc/23/39/52/588233952.db2.gz QZSWKPBNJDMWII-DTWKUNHWSA-N 0 3 241.247 1.043 20 5 BDBDHN CC(COC(=O)[C@]12C[C@H]1COC2(C)C)[N+](=O)[O-] ZINC000851037561 588585830 /nfs/dbraw/zinc/58/58/30/588585830.db2.gz WRECOGKSOAPXDB-FYBVGQRMSA-N 0 3 243.259 1.010 20 5 BDBDHN CC(COC(=O)C1CC2(CC2(F)F)C1)[N+](=O)[O-] ZINC000851036781 588585993 /nfs/dbraw/zinc/58/59/93/588585993.db2.gz MZGPIZDCPRMIRI-PTNSZRNDSA-N 0 3 249.213 1.630 20 5 BDBDHN CC(COC(=O)C[C@H](C)c1ccco1)[N+](=O)[O-] ZINC000860777121 589119313 /nfs/dbraw/zinc/11/93/13/589119313.db2.gz KMOPRPBYSCLTRN-DTWKUNHWSA-N 0 3 241.243 1.982 20 5 BDBDHN C[C@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000124268699 592717457 /nfs/dbraw/zinc/71/74/57/592717457.db2.gz KBUDXHKFAFOACR-QMMMGPOBSA-N 0 3 247.258 1.254 20 5 BDBDHN CSC[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000308299565 631274058 /nfs/dbraw/zinc/27/40/58/631274058.db2.gz JPQWTRBMNASNPK-QMMMGPOBSA-N 0 3 204.295 1.091 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1cccs1 ZINC000905116641 637622833 /nfs/dbraw/zinc/62/28/33/637622833.db2.gz HUAATRKAHPYCQK-UHFFFAOYSA-N 0 3 228.317 1.892 20 5 BDBDHN CC(C)CSCCNCC[N+](=O)[O-] ZINC000905190736 637670596 /nfs/dbraw/zinc/67/05/96/637670596.db2.gz YQXRTFMGOWWTSK-UHFFFAOYSA-N 0 3 206.311 1.242 20 5 BDBDHN C[C@H](Cc1ccc(O)cc1)NCC[N+](=O)[O-] ZINC000905178575 637684266 /nfs/dbraw/zinc/68/42/66/637684266.db2.gz XFJSCYYMGBBYTE-SECBINFHSA-N 0 3 224.260 1.190 20 5 BDBDHN Cc1cccc(C)c1CCNCC[N+](=O)[O-] ZINC000905176972 637684316 /nfs/dbraw/zinc/68/43/16/637684316.db2.gz UYSBPZPBUXNHCH-UHFFFAOYSA-N 0 3 222.288 1.712 20 5 BDBDHN C[C@H](CNCC[N+](=O)[O-])c1nccs1 ZINC000905210507 637697664 /nfs/dbraw/zinc/69/76/64/637697664.db2.gz WHSMJNPVRYOEPL-SSDOTTSWSA-N 0 3 215.278 1.113 20 5 BDBDHN Cc1cnc([C@H](C)CNCC[N+](=O)[O-])s1 ZINC000905214742 637700381 /nfs/dbraw/zinc/70/03/81/637700381.db2.gz VTIJXEYAVDQQOA-SSDOTTSWSA-N 0 3 229.305 1.421 20 5 BDBDHN CO[C@]1(C)CCCN(CC[N+](=O)[O-])CC1 ZINC000930286104 639681961 /nfs/dbraw/zinc/68/19/61/639681961.db2.gz NRFNALNCGSXVEI-SNVBAGLBSA-N 0 3 216.281 1.154 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1CCc2ccccc2OC1 ZINC000930347900 639719004 /nfs/dbraw/zinc/71/90/04/639719004.db2.gz MDRXSVMADQVCDL-LLVKDONJSA-N 0 3 236.271 1.247 20 5 BDBDHN C[C@@H]1CN(CC[N+](=O)[O-])CCc2ccccc21 ZINC000930856886 639950787 /nfs/dbraw/zinc/95/07/87/639950787.db2.gz LKDQVVPZSBCYTO-LLVKDONJSA-N 0 3 234.299 1.925 20 5 BDBDHN CC(C)OC(=O)C[C@H](NCC[N+](=O)[O-])C(C)C ZINC000930890402 639972617 /nfs/dbraw/zinc/97/26/17/639972617.db2.gz PIEPOVJRSNTJIK-JTQLQIEISA-N 0 3 246.307 1.219 20 5 BDBDHN CC[C@H](CO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773225 644727603 /nfs/dbraw/zinc/72/76/03/644727603.db2.gz CQCJXSPTHJJNDX-SECBINFHSA-N 0 3 242.250 1.594 20 5 BDBDHN CO[C@@H]1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000816091128 644957506 /nfs/dbraw/zinc/95/75/06/644957506.db2.gz LTRNICGXNIKSBT-LPEHRKFASA-N 0 3 245.275 1.400 20 5 BDBDHN COCCN(CC[N+](=O)[O-])C1CCCC1 ZINC000929330944 646086044 /nfs/dbraw/zinc/08/60/44/646086044.db2.gz GEQLTNJAWGFIEH-UHFFFAOYSA-N 0 3 216.281 1.154 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CC23CC(O)C3)c1 ZINC000724932528 711630287 /nfs/dbraw/zinc/63/02/87/711630287.db2.gz WWFSJWYDWIRORI-CPCZMJQVSA-N 0 3 248.282 1.598 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@]23C[C@H]2COC3)cc1 ZINC000717985428 712735192 /nfs/dbraw/zinc/73/51/92/712735192.db2.gz DPJHQHKDLUGFSC-JQWIXIFHSA-N 0 3 234.255 1.473 20 5 BDBDHN C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000719580365 712812599 /nfs/dbraw/zinc/81/25/99/712812599.db2.gz RKNNVJLPBIWBPU-RKDXNWHRSA-N 0 3 236.275 1.494 20 5 BDBDHN Cc1cnc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC001346123545 980759757 /nfs/dbraw/zinc/75/97/57/980759757.db2.gz MSZMCEACIUGALF-VIFPVBQESA-N 0 3 238.243 1.520 20 5 BDBDHN Cc1c(C)c(-n2nccc2CN)ncc1[N+](=O)[O-] ZINC001155124717 962986398 /nfs/dbraw/zinc/98/63/98/962986398.db2.gz FAXFLIUBHHKLQW-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN CN1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225629647 974605909 /nfs/dbraw/zinc/60/59/09/974605909.db2.gz YVYIHSARBFAAEC-SECBINFHSA-N 0 3 223.232 1.073 20 5 BDBDHN C[C@@](O)(CCNCC[N+](=O)[O-])c1ccccc1 ZINC001335985228 977404258 /nfs/dbraw/zinc/40/42/58/977404258.db2.gz BHYZEMGGLWSLRT-GFCCVEGCSA-N 0 3 238.287 1.151 20 5 BDBDHN CC(COC(=O)[C@@H]1CCOC(C)(C)C1)[N+](=O)[O-] ZINC001343663806 980172202 /nfs/dbraw/zinc/17/22/02/980172202.db2.gz KVBBFXZZOXGNCD-DTWKUNHWSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C(C)(C)C(F)(F)F)[N+](=O)[O-] ZINC001344808741 980471453 /nfs/dbraw/zinc/47/14/53/980471453.db2.gz SFDROYRVDZGLPO-YFKPBYRVSA-N 0 3 243.181 1.783 20 5 BDBDHN C[C@@H]1CN(CC[N+](=O)[O-])CC(C)(C)C1 ZINC001354590519 983326712 /nfs/dbraw/zinc/32/67/12/983326712.db2.gz HLPAYYQXPNLXAW-VIFPVBQESA-N 0 3 200.282 1.631 20 5 BDBDHN CC(COC(=O)c1cc2cccn2cn1)[N+](=O)[O-] ZINC001515231556 989006795 /nfs/dbraw/zinc/00/67/95/989006795.db2.gz ZKMUEDZAEHDHSG-QMMMGPOBSA-N 0 3 249.226 1.156 20 5 BDBDHN CC(COC(=O)[C@@]1(C)C=CCC1)[N+](=O)[O-] ZINC001518855866 989342489 /nfs/dbraw/zinc/34/24/89/989342489.db2.gz RHMJRPGESMFQMY-WPRPVWTQSA-N 0 3 213.233 1.551 20 5 BDBDHN C[C@@H]1CCSCCN1CC[N+](=O)[O-] ZINC001119765676 989389539 /nfs/dbraw/zinc/38/95/39/989389539.db2.gz KIWWISJPPZOOQS-MRVPVSSYSA-N 0 3 204.295 1.091 20 5 BDBDHN Cc1csc(CCCNCC[N+](=O)[O-])n1 ZINC001120377171 989646916 /nfs/dbraw/zinc/64/69/16/989646916.db2.gz QDMHDOGRXYCUHV-UHFFFAOYSA-N 0 3 229.305 1.250 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1N1CC(N(C)C)C1 ZINC000273283029 178271551 /nfs/dbraw/zinc/27/15/51/178271551.db2.gz JGPBEXLTWTYUBB-UHFFFAOYSA-N 0 3 235.287 1.653 20 5 BDBDHN CN(CCO)CCc1cccc([N+](=O)[O-])c1 ZINC000168089544 361869600 /nfs/dbraw/zinc/86/96/00/361869600.db2.gz QQKUDLVYWUGWHK-UHFFFAOYSA-N 0 3 224.260 1.061 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCn2cccn2)cc1 ZINC000042351693 361983058 /nfs/dbraw/zinc/98/30/58/361983058.db2.gz CUQMISNRTUGBHK-UHFFFAOYSA-N 0 3 246.270 1.581 20 5 BDBDHN O=[N+]([O-])c1ccc(CCNCc2cn[nH]c2)cc1 ZINC000609222622 342870705 /nfs/dbraw/zinc/87/07/05/342870705.db2.gz VGDRXCULIQDBTG-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)nc1 ZINC000048322162 343242374 /nfs/dbraw/zinc/24/23/74/343242374.db2.gz GOEVQXBKWLMVEU-UHFFFAOYSA-N 0 3 236.275 1.498 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C)c1 ZINC000088726736 344241700 /nfs/dbraw/zinc/24/17/00/344241700.db2.gz QHNXSVRDHALCKO-UHFFFAOYSA-N 0 3 237.303 1.901 20 5 BDBDHN O=[N+]([O-])c1c[nH]c(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000592356994 347772888 /nfs/dbraw/zinc/77/28/88/347772888.db2.gz PGRJFAOSJCFMOP-ZETCQYMHSA-N 0 3 249.230 1.397 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC/C=C/CO ZINC000595071632 348188642 /nfs/dbraw/zinc/18/86/42/348188642.db2.gz POZBBLOBZZAZCP-YYRQZUAOSA-N 0 3 248.282 1.720 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN(C2CC2)C2CC2)c1 ZINC000599600465 349231930 /nfs/dbraw/zinc/23/19/30/349231930.db2.gz UODUDQSRUYYUFC-UHFFFAOYSA-N 0 3 236.275 1.418 20 5 BDBDHN Cc1ccnc(NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000070495980 191003953 /nfs/dbraw/zinc/00/39/53/191003953.db2.gz WZWMRZSVNAFGHP-SECBINFHSA-N 0 3 238.291 1.660 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)N(C)C ZINC000331088701 180176656 /nfs/dbraw/zinc/17/66/56/180176656.db2.gz SGANLKSUWDZPHQ-SSDOTTSWSA-N 0 3 212.253 1.050 20 5 BDBDHN Cc1nn(C[C@@H](C)N(C)C)c(C)c1[N+](=O)[O-] ZINC000330870395 180391003 /nfs/dbraw/zinc/39/10/03/180391003.db2.gz FRUJFFBSZZWJQI-SSDOTTSWSA-N 0 3 226.280 1.358 20 5 BDBDHN C[C@@H](CNc1ncccc1[N+](=O)[O-])N(C)C ZINC000037985892 356457338 /nfs/dbraw/zinc/45/73/38/356457338.db2.gz ZXMQZXIYETXCMU-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H](C)N1 ZINC000053711739 357157598 /nfs/dbraw/zinc/15/75/98/357157598.db2.gz DXVCZISFVDVGBP-DTORHVGOSA-N 0 3 236.275 1.176 20 5 BDBDHN C[C@H](O)CCNCc1ccccc1[N+](=O)[O-] ZINC000078781235 370600531 /nfs/dbraw/zinc/60/05/31/370600531.db2.gz NDYDYBHPCDYOKF-VIFPVBQESA-N 0 3 224.260 1.455 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN2CCCCC2)n1 ZINC000176188509 182954726 /nfs/dbraw/zinc/95/47/26/182954726.db2.gz MOTGRNUEKUKJRP-UHFFFAOYSA-N 0 3 224.264 1.277 20 5 BDBDHN CN(C)CCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000288611257 383928658 /nfs/dbraw/zinc/92/86/58/383928658.db2.gz ZLPMUHCCUKIAKV-UHFFFAOYSA-N 0 3 241.266 1.732 20 5 BDBDHN Cc1ccc(CN(C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000289389622 384091910 /nfs/dbraw/zinc/09/19/10/384091910.db2.gz DRVUDVSTBOSHJH-SNVBAGLBSA-N 0 3 238.287 1.716 20 5 BDBDHN CC(C)[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000134695337 384387147 /nfs/dbraw/zinc/38/71/47/384387147.db2.gz KNHBYWUNTNICQJ-GFCCVEGCSA-N 0 3 238.287 1.701 20 5 BDBDHN CCN(CC)CCn1cccc([N+](=O)[O-])c1=O ZINC000181319887 384998476 /nfs/dbraw/zinc/99/84/76/384998476.db2.gz MSORCQPTMPDSJH-UHFFFAOYSA-N 0 3 239.275 1.098 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CC2)cc1 ZINC000120343896 385704351 /nfs/dbraw/zinc/70/43/51/385704351.db2.gz BSINXEHXTQGYMW-UHFFFAOYSA-N 0 3 222.244 1.209 20 5 BDBDHN CCN(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000051634384 385869204 /nfs/dbraw/zinc/86/92/04/385869204.db2.gz OFALZKMJJJLWJE-UHFFFAOYSA-N 0 3 237.303 1.636 20 5 BDBDHN Cc1ccc(CN[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000294778822 386527784 /nfs/dbraw/zinc/52/77/84/386527784.db2.gz GPRYNZBIBRLIJH-PHIMTYICSA-N 0 3 236.271 1.516 20 5 BDBDHN C[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035115417 387044001 /nfs/dbraw/zinc/04/40/01/387044001.db2.gz NHQNKNHXBZGXPA-RKDXNWHRSA-N 0 3 224.260 1.626 20 5 BDBDHN Cc1ccc([C@@H](C)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000035602293 387374234 /nfs/dbraw/zinc/37/42/34/387374234.db2.gz OSFXOTKADJIUEH-NXEZZACHSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)C)n1 ZINC000169032476 387379921 /nfs/dbraw/zinc/37/99/21/387379921.db2.gz AISSXSZRAYWTKP-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN O=[N+]([O-])c1cc(CNCCCCCO)cs1 ZINC000192907720 387865977 /nfs/dbraw/zinc/86/59/77/387865977.db2.gz CZJUQVGFZXYOLL-UHFFFAOYSA-N 0 3 244.316 1.909 20 5 BDBDHN C[C@@H](NCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177140 388191638 /nfs/dbraw/zinc/19/16/38/388191638.db2.gz RBWDUWKAGHFJAN-SECBINFHSA-N 0 3 224.260 1.628 20 5 BDBDHN C[C@H](NCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176691 388191664 /nfs/dbraw/zinc/19/16/64/388191664.db2.gz XTYDJTRRXZPPCT-JTQLQIEISA-N 0 3 237.303 1.807 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226775317 388355577 /nfs/dbraw/zinc/35/55/77/388355577.db2.gz KJXGPXVVUHQAKN-LURJTMIESA-N 0 3 230.293 1.413 20 5 BDBDHN C[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826768 388610559 /nfs/dbraw/zinc/61/05/59/388610559.db2.gz BPIYOBACCNWVEX-GXSJLCMTSA-N 0 3 236.271 1.862 20 5 BDBDHN Cc1c(NC(=O)[C@@H]2C[C@@H]2N)cccc1[N+](=O)[O-] ZINC000424078545 388694070 /nfs/dbraw/zinc/69/40/70/388694070.db2.gz PZALWTQBYWUEHD-SFYZADRCSA-N 0 3 235.243 1.189 20 5 BDBDHN O=[N+]([O-])c1cn(CCN2CCCCC2)cn1 ZINC000299252179 388725249 /nfs/dbraw/zinc/72/52/49/388725249.db2.gz HCNNQZYKEIMBLN-UHFFFAOYSA-N 0 3 224.264 1.277 20 5 BDBDHN CC(C)(O)CCNCc1csc([N+](=O)[O-])c1 ZINC000274736023 388732735 /nfs/dbraw/zinc/73/27/35/388732735.db2.gz IPLRXZMOERGGKM-UHFFFAOYSA-N 0 3 244.316 1.907 20 5 BDBDHN C[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448224 388816322 /nfs/dbraw/zinc/81/63/22/388816322.db2.gz LQKFOZROQIELOZ-SNVBAGLBSA-N 0 3 238.287 1.450 20 5 BDBDHN Cc1cc(N2CCN[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000052783388 132300559 /nfs/dbraw/zinc/30/05/59/132300559.db2.gz ONKNTTRKLUBFGK-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C)n1 ZINC000178244087 134305522 /nfs/dbraw/zinc/30/55/22/134305522.db2.gz RWEDOCKNIUQDFC-UHFFFAOYSA-N 0 3 238.291 1.296 20 5 BDBDHN CC[C@@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000082687154 171185114 /nfs/dbraw/zinc/18/51/14/171185114.db2.gz FPEIRLCWRCYUMZ-SNVBAGLBSA-N 0 3 244.316 1.907 20 5 BDBDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929674 176382339 /nfs/dbraw/zinc/38/23/39/176382339.db2.gz RTSMGQDBGYCPJR-BXKDBHETSA-N 0 3 236.271 1.550 20 5 BDBDHN CC(COC(=O)CSC(C)(C)C)[N+](=O)[O-] ZINC000813103675 586592578 /nfs/dbraw/zinc/59/25/78/586592578.db2.gz DUQANFYSOMZEOT-ZETCQYMHSA-N 0 3 235.305 1.727 20 5 BDBDHN CC(C)[C@@]1(C)C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107050 582583455 /nfs/dbraw/zinc/58/34/55/582583455.db2.gz LEPAXVLXRCKJCY-FXPVBKGRSA-N 0 3 229.276 1.877 20 5 BDBDHN CC(COC(=O)CCC1CCOCC1)[N+](=O)[O-] ZINC000813114732 582592104 /nfs/dbraw/zinc/59/21/04/582592104.db2.gz GGXRNNUYEKVKMH-VIFPVBQESA-N 0 3 245.275 1.402 20 5 BDBDHN CC(COC(=O)[C@H]1CC12CCC2)[N+](=O)[O-] ZINC000813103541 582581015 /nfs/dbraw/zinc/58/10/15/582581015.db2.gz QDYDKBXGODZSRM-JGVFFNPUSA-N 0 3 213.233 1.385 20 5 BDBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccco1 ZINC000851036805 582941609 /nfs/dbraw/zinc/94/16/09/582941609.db2.gz MXRLMSZYKXOTJX-JGAIRUGNSA-N 0 3 239.227 1.891 20 5 BDBDHN CC(COC(=O)C[C@@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893046415 583037014 /nfs/dbraw/zinc/03/70/14/583037014.db2.gz AYEMNVAYUSTPHC-DTWKUNHWSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C1(C2CC2)CC1)[N+](=O)[O-] ZINC000893048770 583037602 /nfs/dbraw/zinc/03/76/02/583037602.db2.gz YFIJOPUEYTXUHT-ZETCQYMHSA-N 0 3 213.233 1.385 20 5 BDBDHN CN1C[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941709 583254879 /nfs/dbraw/zinc/25/48/79/583254879.db2.gz VORIBYADGCBUAV-ZWNOBZJWSA-N 0 3 247.298 1.735 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(Cl)cc1 ZINC000899855245 584243448 /nfs/dbraw/zinc/24/34/48/584243448.db2.gz CUICXKHCZPSSJJ-UHFFFAOYSA-N 0 3 228.679 1.749 20 5 BDBDHN O=[N+]([O-])CCNCCc1c[nH]c2ccccc12 ZINC000899856981 584243600 /nfs/dbraw/zinc/24/36/00/584243600.db2.gz ZQRIFWQESQSJPD-UHFFFAOYSA-N 0 3 233.271 1.577 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccccc1 ZINC000899874115 584245416 /nfs/dbraw/zinc/24/54/16/584245416.db2.gz ZAZAMGJBEKSPOQ-WDEREUQCSA-N 0 3 206.245 1.409 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CC2)cc1 ZINC000734163235 584959079 /nfs/dbraw/zinc/95/90/79/584959079.db2.gz DAYPCAIONPXRHH-LBPRGKRZSA-N 0 3 236.271 1.455 20 5 BDBDHN CC[C@H](CC(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000838965164 585082588 /nfs/dbraw/zinc/08/25/88/585082588.db2.gz OEKDVKTYWUFJDT-NKWVEPMBSA-N 0 3 239.218 1.876 20 5 BDBDHN C[C@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562068 585926956 /nfs/dbraw/zinc/92/69/56/585926956.db2.gz IPKMLUAXCNABQG-HTQZYQBOSA-N 0 3 239.275 1.208 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)[nH]1 ZINC000813100011 586591724 /nfs/dbraw/zinc/59/17/24/586591724.db2.gz KDVRVTGYCZLSQV-ZETCQYMHSA-N 0 3 226.232 1.454 20 5 BDBDHN COCCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813102732 586592043 /nfs/dbraw/zinc/59/20/43/586592043.db2.gz UJAHIIQACRYOJA-SECBINFHSA-N 0 3 245.275 1.402 20 5 BDBDHN CC(C)SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813105023 586592242 /nfs/dbraw/zinc/59/22/42/586592242.db2.gz UBLSDKXPLXMBBT-SSDOTTSWSA-N 0 3 221.278 1.336 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813103869 586592348 /nfs/dbraw/zinc/59/23/48/586592348.db2.gz HNGOLMSGEPBCQO-RNFRBKRXSA-N 0 3 237.202 1.630 20 5 BDBDHN Cc1coc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105223 586592394 /nfs/dbraw/zinc/59/23/94/586592394.db2.gz WWLFLFYWYLPIAJ-ZETCQYMHSA-N 0 3 227.216 1.718 20 5 BDBDHN CC(COC(=O)c1cc(F)ccc1F)[N+](=O)[O-] ZINC000813103635 586592584 /nfs/dbraw/zinc/59/25/84/586592584.db2.gz SABKXVAXCKAJTL-LURJTMIESA-N 0 3 245.181 1.787 20 5 BDBDHN CC(COC(=O)COC1(C)CCC1)[N+](=O)[O-] ZINC000813108691 586593097 /nfs/dbraw/zinc/59/30/97/586593097.db2.gz KDPGTJSZWHNEKZ-MRVPVSSYSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)C[C@@H]1CCCOC1)[N+](=O)[O-] ZINC000813109747 586593117 /nfs/dbraw/zinc/59/31/17/586593117.db2.gz VXRJCBRVONCOCH-IUCAKERBSA-N 0 3 231.248 1.012 20 5 BDBDHN Cc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813109621 586593375 /nfs/dbraw/zinc/59/33/75/586593375.db2.gz NFBKGRVTQJESQJ-YFKPBYRVSA-N 0 3 230.245 1.274 20 5 BDBDHN Cc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813111550 586593750 /nfs/dbraw/zinc/59/37/50/586593750.db2.gz UOSYDRJBSKHNTA-ZCFIWIBFSA-N 0 3 244.272 1.202 20 5 BDBDHN COc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112785 586593812 /nfs/dbraw/zinc/59/38/12/586593812.db2.gz LFDGZTNPFZMMJT-QMMMGPOBSA-N 0 3 239.227 1.517 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813112601 586594129 /nfs/dbraw/zinc/59/41/29/586594129.db2.gz JIHBBCYZSORJSF-SSDOTTSWSA-N 0 3 243.284 1.807 20 5 BDBDHN CC(=O)C(C)(C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813114660 586594183 /nfs/dbraw/zinc/59/41/83/586594183.db2.gz FHLHVSLQUNRXHJ-QMMMGPOBSA-N 0 3 245.275 1.590 20 5 BDBDHN CCO[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813115679 586594267 /nfs/dbraw/zinc/59/42/67/586594267.db2.gz XNOYVQUKPVWJNM-ZJUUUORDSA-N 0 3 247.291 1.646 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CC1(F)F)[N+](=O)[O-] ZINC000817738859 586823746 /nfs/dbraw/zinc/82/37/46/586823746.db2.gz DCINCSWEJXVJHZ-CAHLUQPWSA-N 0 3 223.175 1.240 20 5 BDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)N)CC2 ZINC000843495840 588115280 /nfs/dbraw/zinc/11/52/80/588115280.db2.gz WQGNQCSOLGPWCS-QMMMGPOBSA-N 0 3 249.270 1.140 20 5 BDBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CCC1 ZINC000851035919 588585455 /nfs/dbraw/zinc/58/54/55/588585455.db2.gz CJLXIMBHJXCIHD-IONNQARKSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C1CC2(CC2)C1)[N+](=O)[O-] ZINC000851037173 588585947 /nfs/dbraw/zinc/58/59/47/588585947.db2.gz RIDYXPGQECSGIH-SSDOTTSWSA-N 0 3 213.233 1.385 20 5 BDBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000860776393 589119468 /nfs/dbraw/zinc/11/94/68/589119468.db2.gz DXOXROXWHIFXDP-BDAKNGLRSA-N 0 3 233.264 1.256 20 5 BDBDHN CCc1nocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777859 589119617 /nfs/dbraw/zinc/11/96/17/589119617.db2.gz XMVZYXXLZNASAS-LURJTMIESA-N 0 3 228.204 1.059 20 5 BDBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000860776957 589119647 /nfs/dbraw/zinc/11/96/47/589119647.db2.gz IJUCUPQXULJVLU-CBAPKCEASA-N 0 3 231.248 1.010 20 5 BDBDHN Cc1ccccc1CCNCC[N+](=O)[O-] ZINC000905024178 637575392 /nfs/dbraw/zinc/57/53/92/637575392.db2.gz JMGSHUWRJHCWLW-UHFFFAOYSA-N 0 3 208.261 1.404 20 5 BDBDHN CCOc1ccccc1CCNCC[N+](=O)[O-] ZINC000905090736 637589624 /nfs/dbraw/zinc/58/96/24/637589624.db2.gz YXYQJDZSJDHTKA-UHFFFAOYSA-N 0 3 238.287 1.494 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(F)cc1F ZINC000905112095 637617362 /nfs/dbraw/zinc/61/73/62/637617362.db2.gz YDHIROXBBMFIKS-UHFFFAOYSA-N 0 3 230.214 1.374 20 5 BDBDHN Cc1noc(C)c1CCCNCC[N+](=O)[O-] ZINC000905159067 637638213 /nfs/dbraw/zinc/63/82/13/637638213.db2.gz JCMSMNKFSRCDSA-UHFFFAOYSA-N 0 3 227.264 1.090 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1COc2ccccc21 ZINC000905262288 637716188 /nfs/dbraw/zinc/71/61/88/637716188.db2.gz ULEANTXLXVNJGL-VIFPVBQESA-N 0 3 222.244 1.029 20 5 BDBDHN C[C@]1(CNCC[N+](=O)[O-])CC1(Cl)Cl ZINC000905271885 637729352 /nfs/dbraw/zinc/72/93/52/637729352.db2.gz DZNWQKLRLSZXCL-ZCFIWIBFSA-N 0 3 227.091 1.437 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H](CCO)c1ccccc1 ZINC000905359752 637779074 /nfs/dbraw/zinc/77/90/74/637779074.db2.gz WINASCUWDYQPDS-GFCCVEGCSA-N 0 3 238.287 1.019 20 5 BDBDHN O=[N+]([O-])CCNCCSCCC(F)(F)F ZINC000905405532 637796545 /nfs/dbraw/zinc/79/65/45/637796545.db2.gz TWIMFHHCXAHVQX-UHFFFAOYSA-N 0 3 246.254 1.538 20 5 BDBDHN CN1Cc2ccccc2[C@H]1CNCC[N+](=O)[O-] ZINC000905407512 637798395 /nfs/dbraw/zinc/79/83/95/637798395.db2.gz BRIZTVXECJJOGH-GFCCVEGCSA-N 0 3 235.287 1.039 20 5 BDBDHN CC1(C)CCC[C@@H](CNCC[N+](=O)[O-])O1 ZINC000905683710 637889423 /nfs/dbraw/zinc/88/94/23/637889423.db2.gz QYLAKKLSGRFMCD-VIFPVBQESA-N 0 3 216.281 1.200 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000930331826 639711550 /nfs/dbraw/zinc/71/15/50/639711550.db2.gz ALWRETODTBUXOP-LLVKDONJSA-N 0 3 240.690 1.674 20 5 BDBDHN C[C@H]1CN(CC[N+](=O)[O-])CCc2ccccc21 ZINC000930856887 639951701 /nfs/dbraw/zinc/95/17/01/639951701.db2.gz LKDQVVPZSBCYTO-NSHDSACASA-N 0 3 234.299 1.925 20 5 BDBDHN O=[N+]([O-])CCN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000931260795 640121646 /nfs/dbraw/zinc/12/16/46/640121646.db2.gz CCDYQYAXZZMFQR-MELADBBJSA-N 0 3 246.310 1.999 20 5 BDBDHN CC(C)(NCC[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000931505670 640239817 /nfs/dbraw/zinc/23/98/17/640239817.db2.gz WIWKUYPPJXCSCO-VIFPVBQESA-N 0 3 216.281 1.200 20 5 BDBDHN CCS[C@H]1CC[C@H](N(C)CC[N+](=O)[O-])C1 ZINC000929749389 646279915 /nfs/dbraw/zinc/27/99/15/646279915.db2.gz KNQFJTJPOICINE-UWVGGRQHSA-N 0 3 232.349 1.869 20 5 BDBDHN CC[C@H](CSC)N(C)CC[N+](=O)[O-] ZINC000930179387 646481889 /nfs/dbraw/zinc/48/18/89/646481889.db2.gz KGTBWOMLGBPZOJ-MRVPVSSYSA-N 0 3 206.311 1.337 20 5 BDBDHN C[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000160060021 711805592 /nfs/dbraw/zinc/80/55/92/711805592.db2.gz VBUYDXUZBCBYAK-MRVPVSSYSA-N 0 3 247.258 1.254 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC001169009668 969333144 /nfs/dbraw/zinc/33/31/44/969333144.db2.gz XCIULFPSKWZYKC-DDHJBXDOSA-N 0 3 242.319 1.541 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@H](F)C2)C1 ZINC001169010932 969337031 /nfs/dbraw/zinc/33/70/31/969337031.db2.gz GHSQPLIEQBPOJT-KXUCPTDWSA-N 0 3 216.256 1.476 20 5 BDBDHN Cc1cc(CN)nn1-c1cccc(C)c1[N+](=O)[O-] ZINC001163981942 965674894 /nfs/dbraw/zinc/67/48/94/965674894.db2.gz VLFQEZRGHRSYDE-UHFFFAOYSA-N 0 3 246.270 1.856 20 5 BDBDHN C[C@H](N)c1ccn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168978195 969298139 /nfs/dbraw/zinc/29/81/39/969298139.db2.gz PSLCVRQHAXYYLT-AEJSXWLSSA-N 0 3 238.291 1.521 20 5 BDBDHN Cc1cccc(O[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001225632395 974607649 /nfs/dbraw/zinc/60/76/49/974607649.db2.gz IYQVYSSQXYKZJU-JTQLQIEISA-N 0 3 236.271 1.986 20 5 BDBDHN CC[C@@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332141861 974972601 /nfs/dbraw/zinc/97/26/01/974972601.db2.gz KKTZOJHAVYOJGU-LLVKDONJSA-N 0 3 249.270 1.174 20 5 BDBDHN CN1CC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762870 975064105 /nfs/dbraw/zinc/06/41/05/975064105.db2.gz AKIDHFYFHGJBEM-LLVKDONJSA-N 0 3 222.244 1.678 20 5 BDBDHN CC(C)CC[C@](C)(O)CNCC[N+](=O)[O-] ZINC001336778974 977949829 /nfs/dbraw/zinc/94/98/29/977949829.db2.gz FRXSSWJXEHTHBY-JTQLQIEISA-N 0 3 218.297 1.040 20 5 BDBDHN C[C@@H]1COC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000688052081 985540010 /nfs/dbraw/zinc/54/00/10/985540010.db2.gz ZOHURNPAEGWJJF-SKDRFNHKSA-N 0 3 236.271 1.719 20 5 BDBDHN Cc1cncc([N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC001116710747 987680364 /nfs/dbraw/zinc/68/03/64/987680364.db2.gz MCNQZRMZACPZQR-UHFFFAOYSA-N 0 3 236.275 1.048 20 5 BDBDHN C[C@H]1CCSCCN1CC[N+](=O)[O-] ZINC001119765677 989393143 /nfs/dbraw/zinc/39/31/43/989393143.db2.gz KIWWISJPPZOOQS-QMMMGPOBSA-N 0 3 204.295 1.091 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1NCCN(C)C ZINC000031539695 178272507 /nfs/dbraw/zinc/27/25/07/178272507.db2.gz JGMNERRWGOYTPR-UHFFFAOYSA-N 0 3 223.276 1.877 20 5 BDBDHN COc1ccc(CNC[C@H](C)O)cc1[N+](=O)[O-] ZINC000035604091 187258450 /nfs/dbraw/zinc/25/84/50/187258450.db2.gz YNFYMNUMMIELCL-QMMMGPOBSA-N 0 3 240.259 1.074 20 5 BDBDHN C[C@H](CNCc1csc([N+](=O)[O-])c1)N(C)C ZINC000038087516 343942365 /nfs/dbraw/zinc/94/23/65/343942365.db2.gz PZVHSGQDKLHJOY-MRVPVSSYSA-N 0 3 243.332 1.696 20 5 BDBDHN CC(C)(N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000070117726 345413339 /nfs/dbraw/zinc/41/33/39/345413339.db2.gz ZVRFDCPYYADIRH-UHFFFAOYSA-N 0 3 247.258 1.369 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1N1CC(N(C)C)C1 ZINC000159539770 179206351 /nfs/dbraw/zinc/20/63/51/179206351.db2.gz XFEGBOPXTDZLKO-UHFFFAOYSA-N 0 3 235.287 1.653 20 5 BDBDHN C[C@H](CCO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000593110315 347861232 /nfs/dbraw/zinc/86/12/32/347861232.db2.gz UMDAXIZNDJVCPB-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN CC(C)(O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000092801121 191034646 /nfs/dbraw/zinc/03/46/46/191034646.db2.gz KRDFOWPSAWWYHO-UHFFFAOYSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ccc(CNC[C@H](C)O)cc1[N+](=O)[O-] ZINC000034995494 351376415 /nfs/dbraw/zinc/37/64/15/351376415.db2.gz MJKTUHIFDPUGGZ-VIFPVBQESA-N 0 3 224.260 1.374 20 5 BDBDHN CC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386754148 363038961 /nfs/dbraw/zinc/03/89/61/363038961.db2.gz HDDLCANKWWOCQT-VXNVDRBHSA-N 0 3 244.316 1.905 20 5 BDBDHN C[C@@H](CO)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000086622731 352428505 /nfs/dbraw/zinc/42/85/05/352428505.db2.gz UGQXHMAUIUYENZ-ZJUUUORDSA-N 0 3 238.287 1.874 20 5 BDBDHN O=[N+]([O-])c1ccc(CCNCCF)cc1 ZINC000087774875 355844859 /nfs/dbraw/zinc/84/48/59/355844859.db2.gz LABZHWCNRHJAHH-UHFFFAOYSA-N 0 3 212.224 1.696 20 5 BDBDHN CN(C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578453435 366573760 /nfs/dbraw/zinc/57/37/60/366573760.db2.gz SNIWJNOWBDBDEU-LBPRGKRZSA-N 0 3 249.314 1.733 20 5 BDBDHN Cc1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000037401032 363998612 /nfs/dbraw/zinc/99/86/12/363998612.db2.gz DGAAQTGQRDJKLO-UHFFFAOYSA-N 0 3 223.276 1.877 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2O)cc1 ZINC000037690267 364525587 /nfs/dbraw/zinc/52/55/87/364525587.db2.gz WWIDOUAELGFRGW-VXGBXAGGSA-N 0 3 236.271 1.598 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCO ZINC000573386152 364821371 /nfs/dbraw/zinc/82/13/71/364821371.db2.gz UNGQXYOBEWDSJE-LLVKDONJSA-N 0 3 236.271 1.554 20 5 BDBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000309757670 370255851 /nfs/dbraw/zinc/25/58/51/370255851.db2.gz HXONVINSAIWGQF-ZETCQYMHSA-N 0 3 244.316 1.905 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)cn1 ZINC000601193729 371736831 /nfs/dbraw/zinc/73/68/31/371736831.db2.gz NMHRIYOVXLVXTK-UHFFFAOYSA-N 0 3 248.286 1.274 20 5 BDBDHN COCCNCCNc1ccccc1[N+](=O)[O-] ZINC000216443999 371755994 /nfs/dbraw/zinc/75/59/94/371755994.db2.gz DGUROJSZXRWHJO-UHFFFAOYSA-N 0 3 239.275 1.243 20 5 BDBDHN CCCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965679 371859226 /nfs/dbraw/zinc/85/92/26/371859226.db2.gz LDOJHBNZAKEBRB-LBPRGKRZSA-N 0 3 238.287 1.802 20 5 BDBDHN Cc1ccc(NC(=O)C(C)(C)N)cc1[N+](=O)[O-] ZINC000040920340 373921313 /nfs/dbraw/zinc/92/13/13/373921313.db2.gz NRVQKPYLBAJKOM-UHFFFAOYSA-N 0 3 237.259 1.579 20 5 BDBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000134983236 383965085 /nfs/dbraw/zinc/96/50/85/383965085.db2.gz RWCQPUZGJOLBTP-NXEZZACHSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@@H](O)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000158668106 384083473 /nfs/dbraw/zinc/08/34/73/384083473.db2.gz RCKZUUGITVQSFD-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293913154 384065751 /nfs/dbraw/zinc/06/57/51/384065751.db2.gz OPTFZQXMRIPEHP-NSHDSACASA-N 0 3 238.287 1.798 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCc1cn[nH]c1 ZINC000289794552 384289487 /nfs/dbraw/zinc/28/94/87/384289487.db2.gz KLBLVGAOKOXJLU-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN Cc1c([C@@H](C)NCCO)cccc1[N+](=O)[O-] ZINC000166485521 384391759 /nfs/dbraw/zinc/39/17/59/384391759.db2.gz WFJKQNYQTCDOCF-SECBINFHSA-N 0 3 224.260 1.546 20 5 BDBDHN C[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126728606 384383436 /nfs/dbraw/zinc/38/34/36/384383436.db2.gz FSLPZUSWCGIAST-SECBINFHSA-N 0 3 224.260 1.407 20 5 BDBDHN C[C@H]1OCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000147764739 384857820 /nfs/dbraw/zinc/85/78/20/384857820.db2.gz CQBQEXWLWQKIDL-MWLCHTKSSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCOC2)c1 ZINC000109544279 385175033 /nfs/dbraw/zinc/17/50/33/385175033.db2.gz NUWGXNYIVXUKRM-NSHDSACASA-N 0 3 236.271 1.863 20 5 BDBDHN Cc1c([C@@H](C)N[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000127574977 385260149 /nfs/dbraw/zinc/26/01/49/385260149.db2.gz WEWBULMKKJWJOG-WCBMZHEXSA-N 0 3 238.287 1.935 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000294843156 386605924 /nfs/dbraw/zinc/60/59/24/386605924.db2.gz MSWFYKZOMFLMRD-JGZJWPJOSA-N 0 3 222.244 1.208 20 5 BDBDHN Cc1ccc(CNC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000088195635 386888930 /nfs/dbraw/zinc/88/89/30/386888930.db2.gz JUDLYNMMCJFRCT-VIFPVBQESA-N 0 3 238.287 1.621 20 5 BDBDHN CC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029878 388085427 /nfs/dbraw/zinc/08/54/27/388085427.db2.gz ASTQTRLRIJRREF-QMMMGPOBSA-N 0 3 237.259 1.579 20 5 BDBDHN C[C@@H](NCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037176693 388191315 /nfs/dbraw/zinc/19/13/15/388191315.db2.gz XTYDJTRRXZPPCT-SNVBAGLBSA-N 0 3 237.303 1.807 20 5 BDBDHN C[C@H](NCCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000036746799 388259429 /nfs/dbraw/zinc/25/94/29/388259429.db2.gz CPUWSNLCBZGKCV-QMMMGPOBSA-N 0 3 237.259 1.121 20 5 BDBDHN C[C@@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245748841 388431262 /nfs/dbraw/zinc/43/12/62/388431262.db2.gz GGXSLSVCOICJHY-NXEZZACHSA-N 0 3 238.287 1.968 20 5 BDBDHN Cc1nc(N2CCN[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000118675107 388730833 /nfs/dbraw/zinc/73/08/33/388730833.db2.gz URQTUBYVIIDIRE-MRVPVSSYSA-N 0 3 236.275 1.096 20 5 BDBDHN CC[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000077453797 135067518 /nfs/dbraw/zinc/06/75/18/135067518.db2.gz XGJUSXGPYBDZIQ-NSHDSACASA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@H](O)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000087129380 135107926 /nfs/dbraw/zinc/10/79/26/135107926.db2.gz PROVGHWHUYXLJI-IUCAKERBSA-N 0 3 224.260 1.454 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC[C@H]2C)c1 ZINC000261537514 135174029 /nfs/dbraw/zinc/17/40/29/135174029.db2.gz KDZSBYJJXGBIDR-SNVBAGLBSA-N 0 3 235.287 1.701 20 5 BDBDHN CC(C)[C@@H](F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110438 586593744 /nfs/dbraw/zinc/59/37/44/586593744.db2.gz ARKXHXDVEBKQLZ-RNFRBKRXSA-N 0 3 207.201 1.189 20 5 BDBDHN COCC1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000537323442 324064855 /nfs/dbraw/zinc/06/48/55/324064855.db2.gz LVMMHMJSJIUMLM-UHFFFAOYSA-N 0 3 236.271 1.863 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@@H](C)O ZINC000544610138 325151866 /nfs/dbraw/zinc/15/18/66/325151866.db2.gz VREBDRAIPVXGGU-SNVBAGLBSA-N 0 3 238.287 1.764 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCO ZINC000565216265 325877019 /nfs/dbraw/zinc/87/70/19/325877019.db2.gz JMHATOFCGAMUCJ-SNVBAGLBSA-N 0 3 222.244 1.164 20 5 BDBDHN C[C@@H](O)CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051822059 488049093 /nfs/dbraw/zinc/04/90/93/488049093.db2.gz AQROBZNMFWEHDM-SNVBAGLBSA-N 0 3 238.287 1.450 20 5 BDBDHN Cc1ccc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102197 582580366 /nfs/dbraw/zinc/58/03/66/582580366.db2.gz PDCARQOTGKHUQD-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN CC(COC(=O)[C@@H]1CC12CCC2)[N+](=O)[O-] ZINC000813103542 582580947 /nfs/dbraw/zinc/58/09/47/582580947.db2.gz QDYDKBXGODZSRM-SFYZADRCSA-N 0 3 213.233 1.385 20 5 BDBDHN CC(COC(=O)c1ccoc1C1CC1)[N+](=O)[O-] ZINC000813109737 582586485 /nfs/dbraw/zinc/58/64/85/582586485.db2.gz OJRLZWFWVKPPRU-SSDOTTSWSA-N 0 3 239.227 1.979 20 5 BDBDHN CC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114083 582591415 /nfs/dbraw/zinc/59/14/15/582591415.db2.gz YPXKLDBBMOJZAK-HTQZYQBOSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)c1cccn2nccc12)[N+](=O)[O-] ZINC000893045430 583036891 /nfs/dbraw/zinc/03/68/91/583036891.db2.gz WLYPZBYYUCJJAS-QMMMGPOBSA-N 0 3 249.226 1.156 20 5 BDBDHN CN1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893936441 583252445 /nfs/dbraw/zinc/25/24/45/583252445.db2.gz WYYPIFHNUXAZAM-GXSJLCMTSA-N 0 3 248.286 1.130 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CC=CCC1)[N+](=O)[O-] ZINC000835455189 584926133 /nfs/dbraw/zinc/92/61/33/584926133.db2.gz NCLWCEQRSOGZCY-KOLCDFICSA-N 0 3 227.260 1.941 20 5 BDBDHN C[C@H]1CCCC[C@@H]1N(C)CC[N+](=O)[O-] ZINC000798198023 586140248 /nfs/dbraw/zinc/14/02/48/586140248.db2.gz XYECIZFGEBOKAT-UWVGGRQHSA-N 0 3 200.282 1.774 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)[nH]1 ZINC000813100010 586591783 /nfs/dbraw/zinc/59/17/83/586591783.db2.gz KDVRVTGYCZLSQV-SSDOTTSWSA-N 0 3 226.232 1.454 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCOCC1)[N+](=O)[O-] ZINC000813103746 586592276 /nfs/dbraw/zinc/59/22/76/586592276.db2.gz SFXZSGGZJWJHCE-DTWKUNHWSA-N 0 3 231.248 1.012 20 5 BDBDHN COC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103803 586592342 /nfs/dbraw/zinc/59/23/42/586592342.db2.gz UIAFSCCHZDTSLP-SSDOTTSWSA-N 0 3 219.237 1.010 20 5 BDBDHN CSc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813105040 586592514 /nfs/dbraw/zinc/59/25/14/586592514.db2.gz UIMKFNPBRZYFMD-LURJTMIESA-N 0 3 245.256 1.824 20 5 BDBDHN CC(COC(=O)CCC(F)(F)F)[N+](=O)[O-] ZINC000813103999 586592586 /nfs/dbraw/zinc/59/25/86/586592586.db2.gz VWDCAMQIOXWWBP-YFKPBYRVSA-N 0 3 229.154 1.537 20 5 BDBDHN CC(COC(=O)c1cn2ccccc2n1)[N+](=O)[O-] ZINC000813110185 586593211 /nfs/dbraw/zinc/59/32/11/586593211.db2.gz UMGFQDWQIKHULY-MRVPVSSYSA-N 0 3 249.226 1.156 20 5 BDBDHN CCC/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813109370 586593257 /nfs/dbraw/zinc/59/32/57/586593257.db2.gz JKYWWHAMXZCQBG-SLGIHZDVSA-N 0 3 201.222 1.551 20 5 BDBDHN CCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000816091273 586707555 /nfs/dbraw/zinc/70/75/55/586707555.db2.gz QERHSVWTCRCUEN-LURJTMIESA-N 0 3 242.231 1.367 20 5 BDBDHN CC(COC(=O)[C@]1(C)CC1(F)F)[N+](=O)[O-] ZINC000817738860 586823883 /nfs/dbraw/zinc/82/38/83/586823883.db2.gz DCINCSWEJXVJHZ-FSPLSTOPSA-N 0 3 223.175 1.240 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1C(F)(F)F)[N+](=O)[O-] ZINC000835453337 587802826 /nfs/dbraw/zinc/80/28/26/587802826.db2.gz AQBCMLSUAPEBJG-KVQBGUIXSA-N 0 3 241.165 1.393 20 5 BDBDHN CCO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000860776958 589119628 /nfs/dbraw/zinc/11/96/28/589119628.db2.gz IJUCUPQXULJVLU-IONNQARKSA-N 0 3 231.248 1.010 20 5 BDBDHN C/C=C\CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582646 589301750 /nfs/dbraw/zinc/30/17/50/589301750.db2.gz PXMUOHDSXVPIIL-DLGQBQFBSA-N 0 3 236.271 1.794 20 5 BDBDHN CC(COC(=O)C1(C(F)F)CCC1)[N+](=O)[O-] ZINC000870376262 589660921 /nfs/dbraw/zinc/66/09/21/589660921.db2.gz FJVGULYEUJQRJU-LURJTMIESA-N 0 3 237.202 1.630 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1C(C)(C)C)[N+](=O)[O-] ZINC000870378881 589661537 /nfs/dbraw/zinc/66/15/37/589661537.db2.gz ZEOXTXDAFXKWRK-DJLDLDEBSA-N 0 3 229.276 1.877 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H](C)O[C@@H]1C)[N+](=O)[O-] ZINC000870378329 589661696 /nfs/dbraw/zinc/66/16/96/589661696.db2.gz VPEXUCJAKAFNDC-KDXUFGMBSA-N 0 3 231.248 1.008 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccc(Cl)c1 ZINC000905026658 637575262 /nfs/dbraw/zinc/57/52/62/637575262.db2.gz NNWSMMHHRQJEDM-UHFFFAOYSA-N 0 3 228.679 1.749 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000905174126 637682523 /nfs/dbraw/zinc/68/25/23/637682523.db2.gz DLEKZSZXIPIFNC-FRRDWIJNSA-N 0 3 232.283 1.581 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000905243323 637703866 /nfs/dbraw/zinc/70/38/66/637703866.db2.gz NEUVDIVTQLZACC-WDEREUQCSA-N 0 3 224.235 1.548 20 5 BDBDHN COC1(CNCC[N+](=O)[O-])CCCCCC1 ZINC000905699505 637894881 /nfs/dbraw/zinc/89/48/81/637894881.db2.gz HECLIWZAZZONAN-UHFFFAOYSA-N 0 3 230.308 1.592 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1CCc2ccccc2OC1 ZINC000930347901 639720496 /nfs/dbraw/zinc/72/04/96/639720496.db2.gz MDRXSVMADQVCDL-NSHDSACASA-N 0 3 236.271 1.247 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@]2(CC2(F)F)C1 ZINC000930861759 639954497 /nfs/dbraw/zinc/95/44/97/639954497.db2.gz DPHZDUPTMWBLEH-MRVPVSSYSA-N 0 3 220.219 1.384 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000931026025 640029006 /nfs/dbraw/zinc/02/90/06/640029006.db2.gz OMRBCGVGSIISQX-NEPJUHHUSA-N 0 3 242.319 1.544 20 5 BDBDHN C[C@@H](COCC1CCCCC1)NCC[N+](=O)[O-] ZINC000932422205 640524322 /nfs/dbraw/zinc/52/43/22/640524322.db2.gz IBZNEMATSJQQFV-NSHDSACASA-N 0 3 244.335 1.838 20 5 BDBDHN O=[N+]([O-])CCN1CCCC2(CCOCC2)C1 ZINC000929709669 646263351 /nfs/dbraw/zinc/26/33/51/646263351.db2.gz GMIKAXLLZPNHQI-UHFFFAOYSA-N 0 3 228.292 1.156 20 5 BDBDHN C[C@@H](NCCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000036746778 712489121 /nfs/dbraw/zinc/48/91/21/712489121.db2.gz XTZAOTHISBMZEK-MRVPVSSYSA-N 0 3 237.259 1.121 20 5 BDBDHN C[C@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000719580361 712812654 /nfs/dbraw/zinc/81/26/54/712812654.db2.gz RKNNVJLPBIWBPU-DTWKUNHWSA-N 0 3 236.275 1.494 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012184 969337251 /nfs/dbraw/zinc/33/72/51/969337251.db2.gz OOWUZUBXDQQHMA-VWYCJHECSA-N 0 3 228.292 1.153 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(C(F)F)C2)C1 ZINC001169053552 969372715 /nfs/dbraw/zinc/37/27/15/969372715.db2.gz ILKFFDHXSIYKIT-CBAPKCEASA-N 0 3 234.246 1.629 20 5 BDBDHN Cc1cnc(-n2ccc([C@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001158346206 963852356 /nfs/dbraw/zinc/85/23/56/963852356.db2.gz SUDDTLKQYXIYHP-QMMMGPOBSA-N 0 3 247.258 1.504 20 5 BDBDHN Cc1cnc(-n2ccc([C@@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001158346205 963852781 /nfs/dbraw/zinc/85/27/81/963852781.db2.gz SUDDTLKQYXIYHP-MRVPVSSYSA-N 0 3 247.258 1.504 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1-n1cnc(CN)c1 ZINC001162302459 967797905 /nfs/dbraw/zinc/79/79/05/967797905.db2.gz SPTPZNFJBRIMKE-UHFFFAOYSA-N 0 3 232.243 1.548 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001169007574 969332737 /nfs/dbraw/zinc/33/27/37/969332737.db2.gz OEYIHBVLRYXHHY-KKOKHZNYSA-N 0 3 240.303 1.295 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011959 969339772 /nfs/dbraw/zinc/33/97/72/969339772.db2.gz NWYPINFWVICIAU-LVEVGFFFSA-N 0 3 242.294 1.722 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N(C2CC2)C2COC2)C1 ZINC001169035736 969353028 /nfs/dbraw/zinc/35/30/28/969353028.db2.gz LMMPZQVQSASCHN-KOLCDFICSA-N 0 3 240.303 1.295 20 5 BDBDHN CC(=O)[C@@H]1CCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052509 969369831 /nfs/dbraw/zinc/36/98/31/969369831.db2.gz GMLXMHRDMXJWCO-SRVKXCTJSA-N 0 3 240.303 1.485 20 5 BDBDHN CCN1CC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628642 974603854 /nfs/dbraw/zinc/60/38/54/974603854.db2.gz RDFZNIZIQIIPRS-SECBINFHSA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(O[C@H]2CCN(C)C2)c1 ZINC001225679223 974640651 /nfs/dbraw/zinc/64/06/51/974640651.db2.gz QMFVOCAQPIHMFN-JTQLQIEISA-N 0 3 236.271 1.986 20 5 BDBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710144 975041888 /nfs/dbraw/zinc/04/18/88/975041888.db2.gz MUFDCWLTFZSSRL-SNVBAGLBSA-N 0 3 237.259 1.463 20 5 BDBDHN C[C@@H]1CCN(CC[N+](=O)[O-])CC1(C)C ZINC001332902655 975317149 /nfs/dbraw/zinc/31/71/49/975317149.db2.gz NZAHIOTUJTUUSP-SECBINFHSA-N 0 3 200.282 1.631 20 5 BDBDHN CN1CC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987106 975834180 /nfs/dbraw/zinc/83/41/80/975834180.db2.gz FAKWFCDFTPQOIR-SECBINFHSA-N 0 3 223.232 1.073 20 5 BDBDHN CN1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880408 976547134 /nfs/dbraw/zinc/54/71/34/976547134.db2.gz UORSMDDTGJHXEA-UHFFFAOYSA-N 0 3 237.259 1.463 20 5 BDBDHN COC[C@H](CC(C)(C)C)NCC[N+](=O)[O-] ZINC001335433205 977058635 /nfs/dbraw/zinc/05/86/35/977058635.db2.gz RXQAYBRWZDPDEE-VIFPVBQESA-N 0 3 218.297 1.304 20 5 BDBDHN CN1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233855632 978713066 /nfs/dbraw/zinc/71/30/66/978713066.db2.gz UUSMYCUWILMDAM-VIFPVBQESA-N 0 3 223.232 1.073 20 5 BDBDHN CC(COC(=O)[C@H]1CCC[C@H](F)C1)[N+](=O)[O-] ZINC001263478273 993330663 /nfs/dbraw/zinc/33/06/63/993330663.db2.gz SDDGLVXJQBNYRY-VGMNWLOBSA-N 0 3 233.239 1.723 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CN(C)C ZINC000168977661 178275119 /nfs/dbraw/zinc/27/51/19/178275119.db2.gz KRKLSWBAURFCLF-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN CCN(CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000071515275 343686250 /nfs/dbraw/zinc/68/62/50/343686250.db2.gz PAMCAMVSUMMAMB-UHFFFAOYSA-N 0 3 239.275 1.098 20 5 BDBDHN CC(C)(CO)CNCc1ccccc1[N+](=O)[O-] ZINC000126383971 343896146 /nfs/dbraw/zinc/89/61/46/343896146.db2.gz SEDMRVZWUXPBTR-UHFFFAOYSA-N 0 3 238.287 1.703 20 5 BDBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)C(C)(C)O ZINC000309757668 347156647 /nfs/dbraw/zinc/15/66/47/347156647.db2.gz HXONVINSAIWGQF-SSDOTTSWSA-N 0 3 244.316 1.905 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CCF)cc1 ZINC000593689171 347927487 /nfs/dbraw/zinc/92/74/87/347927487.db2.gz KGMWUBHWJFYITC-SNVBAGLBSA-N 0 3 242.250 1.405 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@H](O)C1 ZINC000595001017 348169185 /nfs/dbraw/zinc/16/91/85/348169185.db2.gz OYVIQMAPVKRQAA-UMSPYCQHSA-N 0 3 236.271 1.516 20 5 BDBDHN C[C@H](NC/C=C/CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073149 348188865 /nfs/dbraw/zinc/18/88/65/348188865.db2.gz SKJZGROZCHVMGL-PBKGFPTLSA-N 0 3 236.271 1.794 20 5 BDBDHN Cc1nc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000123784584 180017998 /nfs/dbraw/zinc/01/79/98/180017998.db2.gz VUWOBIXFFVSUQH-UHFFFAOYSA-N 0 3 224.264 1.272 20 5 BDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCCO ZINC000050508340 350349554 /nfs/dbraw/zinc/34/95/54/350349554.db2.gz XTHSZLXZMGFMKN-SNVBAGLBSA-N 0 3 238.287 1.970 20 5 BDBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386898602 363058840 /nfs/dbraw/zinc/05/88/40/363058840.db2.gz OKQWXDAODNTXJF-CABZTGNLSA-N 0 3 238.287 1.844 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N ZINC000035222878 356418630 /nfs/dbraw/zinc/41/86/30/356418630.db2.gz NVAMXBLGJBHLJR-ZETCQYMHSA-N 0 3 223.232 1.189 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN1 ZINC000384772294 356744437 /nfs/dbraw/zinc/74/44/37/356744437.db2.gz HSGLLQBYVWYYOT-SECBINFHSA-N 0 3 235.243 1.204 20 5 BDBDHN C[C@@H](N[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602259 358002519 /nfs/dbraw/zinc/00/25/19/358002519.db2.gz CALNQSQJIUGOOX-DTWKUNHWSA-N 0 3 224.260 1.626 20 5 BDBDHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000147516484 181329704 /nfs/dbraw/zinc/32/97/04/181329704.db2.gz JOTIGTRMCMGTSK-UHFFFAOYSA-N 0 3 235.243 1.415 20 5 BDBDHN CC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029879 361593529 /nfs/dbraw/zinc/59/35/29/361593529.db2.gz ASTQTRLRIJRREF-MRVPVSSYSA-N 0 3 237.259 1.579 20 5 BDBDHN CCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394538 370869552 /nfs/dbraw/zinc/86/95/52/370869552.db2.gz ULTNALXRIDOELV-VIFPVBQESA-N 0 3 224.264 1.448 20 5 BDBDHN CN1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040672419 373587116 /nfs/dbraw/zinc/58/71/16/373587116.db2.gz BIJPAKULYKZJFC-LBPRGKRZSA-N 0 3 249.314 1.779 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCO ZINC000565216250 384620419 /nfs/dbraw/zinc/62/04/19/384620419.db2.gz JMHATOFCGAMUCJ-JTQLQIEISA-N 0 3 222.244 1.164 20 5 BDBDHN C[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000120156570 385195226 /nfs/dbraw/zinc/19/52/26/385195226.db2.gz ZUODEKJYLCNNTF-GFCCVEGCSA-N 0 3 236.271 1.863 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCOC1 ZINC000110514520 385242748 /nfs/dbraw/zinc/24/27/48/385242748.db2.gz PUFQYBZWGBZALD-NSHDSACASA-N 0 3 236.271 1.863 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCC[C@H]2O)c1 ZINC000052926368 386372281 /nfs/dbraw/zinc/37/22/81/386372281.db2.gz RWPRAYQJJGDINS-VXGBXAGGSA-N 0 3 236.271 1.598 20 5 BDBDHN CCN(C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295632675 387328276 /nfs/dbraw/zinc/32/82/76/387328276.db2.gz XOSPJIYLDAKZAW-UHFFFAOYSA-N 0 3 239.279 1.057 20 5 BDBDHN C[C@@H](O)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000075776782 387345588 /nfs/dbraw/zinc/34/55/88/387345588.db2.gz YQIMERVFKQMCHB-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@@H](O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000227962112 388375030 /nfs/dbraw/zinc/37/50/30/388375030.db2.gz PNFZZZQNWTZZBO-SNVBAGLBSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@@H](CCCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000094942174 388434606 /nfs/dbraw/zinc/43/46/06/388434606.db2.gz SXCIXTCAEXOEHN-JTQLQIEISA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@H](O)C(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000161152087 388666986 /nfs/dbraw/zinc/66/69/86/388666986.db2.gz AXYSXLZEOXONCL-VIFPVBQESA-N 0 3 238.287 1.844 20 5 BDBDHN Cc1c(CN(C)CCCO)cccc1[N+](=O)[O-] ZINC000302464249 388844279 /nfs/dbraw/zinc/84/42/79/388844279.db2.gz PMHRIHGWVNFHBW-UHFFFAOYSA-N 0 3 238.287 1.717 20 5 BDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174817423 134283787 /nfs/dbraw/zinc/28/37/87/134283787.db2.gz BGNYGOWUCSKQOU-UHFFFAOYSA-N 0 3 224.264 1.276 20 5 BDBDHN CC[C@@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000077453209 135392460 /nfs/dbraw/zinc/39/24/60/135392460.db2.gz NHJSNQMFFVATSP-NSHDSACASA-N 0 3 238.287 1.845 20 5 BDBDHN CC(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000092392758 167406861 /nfs/dbraw/zinc/40/68/61/167406861.db2.gz NCVJOLPXJISXPK-GFCCVEGCSA-N 0 3 238.287 1.701 20 5 BDBDHN COc1ccc(CNC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000035604093 175107273 /nfs/dbraw/zinc/10/72/73/175107273.db2.gz YNFYMNUMMIELCL-MRVPVSSYSA-N 0 3 240.259 1.074 20 5 BDBDHN C[C@H](NC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284254547 176828450 /nfs/dbraw/zinc/82/84/50/176828450.db2.gz VWAOGOIYHYAGBO-ZETCQYMHSA-N 0 3 221.260 1.990 20 5 BDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266887639 177162630 /nfs/dbraw/zinc/16/26/30/177162630.db2.gz CLSPIIWSMXTBJJ-VIFPVBQESA-N 0 3 224.264 1.133 20 5 BDBDHN COCCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101584 586592065 /nfs/dbraw/zinc/59/20/65/586592065.db2.gz DPUMKHDXQKQKET-DTWKUNHWSA-N 0 3 233.264 1.258 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2C3CCC2CC3)c1 ZINC000531342250 323087645 /nfs/dbraw/zinc/08/76/45/323087645.db2.gz WEWRVHQKXGLUPL-UHFFFAOYSA-N 0 3 236.275 1.418 20 5 BDBDHN COCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418413 323123842 /nfs/dbraw/zinc/12/38/42/323123842.db2.gz PCHHNDDLSISOII-NSHDSACASA-N 0 3 236.271 1.818 20 5 BDBDHN Cc1coc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000893043806 583036118 /nfs/dbraw/zinc/03/61/18/583036118.db2.gz CXJDTZLFESXOSQ-ZETCQYMHSA-N 0 3 213.189 1.410 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813106602 582581483 /nfs/dbraw/zinc/58/14/83/582581483.db2.gz FUJMCWLRAVYQKS-LURJTMIESA-N 0 3 229.257 1.879 20 5 BDBDHN CC(COC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000813112702 582590088 /nfs/dbraw/zinc/59/00/88/582590088.db2.gz TYDXGHPBFFKQPE-QROSGCPLSA-N 0 3 235.239 1.908 20 5 BDBDHN CC(COC(=O)C(C1CC1)C1CC1)[N+](=O)[O-] ZINC000813113547 582590811 /nfs/dbraw/zinc/59/08/11/582590811.db2.gz FTPFXORZJKXWEM-SSDOTTSWSA-N 0 3 227.260 1.631 20 5 BDBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccco1 ZINC000851036811 582941362 /nfs/dbraw/zinc/94/13/62/582941362.db2.gz MXRLMSZYKXOTJX-ORZBULNSSA-N 0 3 239.227 1.891 20 5 BDBDHN CCS[C@@H]1CCCCN(CC[N+](=O)[O-])C1 ZINC000791051742 583383599 /nfs/dbraw/zinc/38/35/99/583383599.db2.gz ICCKZFWUROVNRX-SNVBAGLBSA-N 0 3 232.349 1.871 20 5 BDBDHN C[C@H](CNCC[N+](=O)[O-])N1CCc2ccccc21 ZINC000899869644 584244679 /nfs/dbraw/zinc/24/46/79/584244679.db2.gz HXDAFGIQQLUTGP-LLVKDONJSA-N 0 3 249.314 1.304 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C2CC2)c1 ZINC000734163649 584959058 /nfs/dbraw/zinc/95/90/58/584959058.db2.gz DTMRTYRVRLATCY-LBPRGKRZSA-N 0 3 236.271 1.455 20 5 BDBDHN C[C@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562070 585926928 /nfs/dbraw/zinc/92/69/28/585926928.db2.gz IPKMLUAXCNABQG-SFYZADRCSA-N 0 3 239.275 1.208 20 5 BDBDHN CC(COC(=O)c1cc(F)cc(F)c1)[N+](=O)[O-] ZINC000813100735 586591626 /nfs/dbraw/zinc/59/16/26/586591626.db2.gz WDVXTXVFMFIUGS-ZCFIWIBFSA-N 0 3 245.181 1.787 20 5 BDBDHN CC(C)n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102739 586592093 /nfs/dbraw/zinc/59/20/93/586592093.db2.gz UKUJPXSWVOMZME-QMMMGPOBSA-N 0 3 241.247 1.286 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813102432 586592119 /nfs/dbraw/zinc/59/21/19/586592119.db2.gz FBVLZQZLANHONV-ZCFIWIBFSA-N 0 3 213.189 1.410 20 5 BDBDHN CS[C@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104601 586592402 /nfs/dbraw/zinc/59/24/02/586592402.db2.gz FJHZNZXIQCDZPK-JGVFFNPUSA-N 0 3 235.305 1.727 20 5 BDBDHN CC(COC(=O)Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813103662 586592516 /nfs/dbraw/zinc/59/25/16/586592516.db2.gz DMXUPRWBEQZDPW-QMMMGPOBSA-N 0 3 241.218 1.577 20 5 BDBDHN CC(COC(=O)/C=C1\CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813105593 586592548 /nfs/dbraw/zinc/59/25/48/586592548.db2.gz PWAMLXSYWVFRGG-FABCMWHDSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(C)[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105823 586592698 /nfs/dbraw/zinc/59/26/98/586592698.db2.gz VDDQIIAYYNYUGA-VGMNWLOBSA-N 0 3 215.249 1.487 20 5 BDBDHN CCS[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813107525 586592816 /nfs/dbraw/zinc/59/28/16/586592816.db2.gz RWFSILCQLBLDJR-RKDXNWHRSA-N 0 3 249.332 1.973 20 5 BDBDHN CC(COC(=O)CCc1ccncc1)[N+](=O)[O-] ZINC000813106950 586592975 /nfs/dbraw/zinc/59/29/75/586592975.db2.gz IPFMHEOLYFCRSX-VIFPVBQESA-N 0 3 238.243 1.223 20 5 BDBDHN CC(C)n1cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108315 586593113 /nfs/dbraw/zinc/59/31/13/586593113.db2.gz XLBQFAAGROGKQT-SECBINFHSA-N 0 3 240.259 1.891 20 5 BDBDHN Cc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108093 586593233 /nfs/dbraw/zinc/59/32/33/586593233.db2.gz VARMVNKFZBZKIT-SSDOTTSWSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)C[C@H]1CCCOC1)[N+](=O)[O-] ZINC000813109746 586593359 /nfs/dbraw/zinc/59/33/59/586593359.db2.gz VXRJCBRVONCOCH-DTWKUNHWSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(C)COCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813111032 586593475 /nfs/dbraw/zinc/59/34/75/586593475.db2.gz ARVNIVBZAPPUCF-SECBINFHSA-N 0 3 233.264 1.258 20 5 BDBDHN Cc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112023 586593740 /nfs/dbraw/zinc/59/37/40/586593740.db2.gz YMINHFHRPZZWHW-ZETCQYMHSA-N 0 3 229.257 1.879 20 5 BDBDHN CC(COC(=O)c1cncc(F)c1)[N+](=O)[O-] ZINC000813110687 586593782 /nfs/dbraw/zinc/59/37/82/586593782.db2.gz HNHGUXTXRXOKAE-ZCFIWIBFSA-N 0 3 228.179 1.043 20 5 BDBDHN C/C=C(\CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112783 586593818 /nfs/dbraw/zinc/59/38/18/586593818.db2.gz LDSSXNSTKMRJSE-VKDKVYATSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)C1CC(C)(C)C1)[N+](=O)[O-] ZINC000813114676 586593930 /nfs/dbraw/zinc/59/39/30/586593930.db2.gz FPQVXIKNJLZALJ-ZETCQYMHSA-N 0 3 215.249 1.631 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000813113335 586593936 /nfs/dbraw/zinc/59/39/36/586593936.db2.gz YOLUMYILLSKXQL-ZCFIWIBFSA-N 0 3 227.216 1.718 20 5 BDBDHN CC(COC(=O)C1C(C)(C)C1(C)C)[N+](=O)[O-] ZINC000813113607 586593975 /nfs/dbraw/zinc/59/39/75/586593975.db2.gz GZSHVUUKMPSWKS-ZETCQYMHSA-N 0 3 229.276 1.877 20 5 BDBDHN CCOCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813112860 586594018 /nfs/dbraw/zinc/59/40/18/586594018.db2.gz UZBRWMQLSUPWPT-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)c1cnn2ccccc12)[N+](=O)[O-] ZINC000813113919 586594030 /nfs/dbraw/zinc/59/40/30/586594030.db2.gz WFXFLNSOKHSYQJ-MRVPVSSYSA-N 0 3 249.226 1.156 20 5 BDBDHN CC[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])O1 ZINC000813114398 586594058 /nfs/dbraw/zinc/59/40/58/586594058.db2.gz ANSOSPVDEQZDJT-IWSPIJDZSA-N 0 3 231.248 1.152 20 5 BDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])ccn1C ZINC000813114251 586594162 /nfs/dbraw/zinc/59/41/62/586594162.db2.gz OJIPPUPAKZUVMZ-QMMMGPOBSA-N 0 3 240.259 1.410 20 5 BDBDHN CC(COC(=O)COCC1CCCC1)[N+](=O)[O-] ZINC000835456220 587803275 /nfs/dbraw/zinc/80/32/75/587803275.db2.gz TXYDUIFPEJTKFR-SECBINFHSA-N 0 3 245.275 1.402 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1OC(C)(C)C)[N+](=O)[O-] ZINC000851037414 588585916 /nfs/dbraw/zinc/58/59/16/588585916.db2.gz VCAVEMQWGJKMHI-IWSPIJDZSA-N 0 3 245.275 1.398 20 5 BDBDHN C/C=C/CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582648 589301758 /nfs/dbraw/zinc/30/17/58/589301758.db2.gz PXMUOHDSXVPIIL-QAVQXKDTSA-N 0 3 236.271 1.794 20 5 BDBDHN CC(COC(=O)[C@@]12C[C@@H]1CCCC2)[N+](=O)[O-] ZINC000870376777 589661034 /nfs/dbraw/zinc/66/10/34/589661034.db2.gz MRMJYJJTDVLZQN-YWVKMMECSA-N 0 3 227.260 1.775 20 5 BDBDHN Cc1cc(F)ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870376281 589661212 /nfs/dbraw/zinc/66/12/12/589661212.db2.gz FRDBRPXYRBBMJV-ZETCQYMHSA-N 0 3 242.206 1.351 20 5 BDBDHN C[C@@H](Cc1cccs1)NCC[N+](=O)[O-] ZINC000905037148 637557315 /nfs/dbraw/zinc/55/73/15/637557315.db2.gz WDZOOCGXZYFBSD-QMMMGPOBSA-N 0 3 214.290 1.545 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1cccc(F)c1 ZINC000905126037 637642529 /nfs/dbraw/zinc/64/25/29/637642529.db2.gz CGTJAFCMEUQVTD-UHFFFAOYSA-N 0 3 240.278 1.970 20 5 BDBDHN O=[N+]([O-])CCNCCc1cc(F)ccc1F ZINC000905143324 637651918 /nfs/dbraw/zinc/65/19/18/637651918.db2.gz ACILLXWPUNCXFH-UHFFFAOYSA-N 0 3 230.214 1.374 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccc([N+](=O)[O-])c1 ZINC000905191037 637670379 /nfs/dbraw/zinc/67/03/79/637670379.db2.gz RLPLDXGQQJQTHM-UHFFFAOYSA-N 0 3 239.231 1.004 20 5 BDBDHN O=[N+]([O-])CCNCC1(c2ccccn2)CCC1 ZINC000905258513 637714519 /nfs/dbraw/zinc/71/45/19/637714519.db2.gz XRCVBLPSZNGZDJ-UHFFFAOYSA-N 0 3 235.287 1.370 20 5 BDBDHN O=[N+]([O-])CCNC1([C@@H]2CCCCO2)CCC1 ZINC000931562188 640275879 /nfs/dbraw/zinc/27/58/79/640275879.db2.gz ARNRRLFIRUVKPN-JTQLQIEISA-N 0 3 228.292 1.345 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H](C2CCOCC2)C1 ZINC000933089782 640667909 /nfs/dbraw/zinc/66/79/09/640667909.db2.gz WKKPOZIVTMFELU-LBPRGKRZSA-N 0 3 242.319 1.402 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1CCOC12CCCCC2 ZINC000933876859 640779731 /nfs/dbraw/zinc/77/97/31/640779731.db2.gz OELDYCJXIYJFAC-SNVBAGLBSA-N 0 3 228.292 1.345 20 5 BDBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000719575548 712811717 /nfs/dbraw/zinc/81/17/17/712811717.db2.gz PSFAYFBVOYILHU-WPRPVWTQSA-N 0 3 236.275 1.494 20 5 BDBDHN COCCN(CC[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC001332980983 975352224 /nfs/dbraw/zinc/35/22/24/975352224.db2.gz OVESKXKKTZVXSH-MNOVXSKESA-N 0 3 230.308 1.400 20 5 BDBDHN Cc1cc(CN)nn1-c1ncc(C)cc1[N+](=O)[O-] ZINC001156038290 963230798 /nfs/dbraw/zinc/23/07/98/963230798.db2.gz JYNNIAWZZQDHDT-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN Cc1cnc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC001162812697 965194244 /nfs/dbraw/zinc/19/42/44/965194244.db2.gz QQGMOXNGPBVKTJ-UHFFFAOYSA-N 0 3 241.316 1.952 20 5 BDBDHN C[C@H](N)c1ccn([C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168978196 969297642 /nfs/dbraw/zinc/29/76/42/969297642.db2.gz PSLCVRQHAXYYLT-GUBZILKMSA-N 0 3 238.291 1.521 20 5 BDBDHN C[C@H](N)c1ccn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168978197 969299109 /nfs/dbraw/zinc/29/91/09/969299109.db2.gz PSLCVRQHAXYYLT-IVZWLZJFSA-N 0 3 238.291 1.521 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cscn2)C1 ZINC001168956221 969303947 /nfs/dbraw/zinc/30/39/47/969303947.db2.gz AJNHZIQIGIDYFJ-BDAKNGLRSA-N 0 3 241.316 1.678 20 5 BDBDHN C[C@H](N)c1nccn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956872 969307915 /nfs/dbraw/zinc/30/79/15/969307915.db2.gz CIMYLZXTYANERM-LPEHRKFASA-N 0 3 238.291 1.521 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001169007575 969334884 /nfs/dbraw/zinc/33/48/84/969334884.db2.gz OEYIHBVLRYXHHY-KXNHARMFSA-N 0 3 240.303 1.295 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N(C2CC2)C2COC2)C1 ZINC001169035740 969351248 /nfs/dbraw/zinc/35/12/48/969351248.db2.gz LMMPZQVQSASCHN-ONGXEEELSA-N 0 3 240.303 1.295 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2Cc3ccncc3C2)C1 ZINC001169036351 969355912 /nfs/dbraw/zinc/35/59/12/969355912.db2.gz NWWWTVBJTFGPGL-GWCFXTLKSA-N 0 3 247.298 1.843 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2Cc3ccncc3C2)C1 ZINC001169036354 969358920 /nfs/dbraw/zinc/35/89/20/969358920.db2.gz NWWWTVBJTFGPGL-GXFFZTMASA-N 0 3 247.298 1.843 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOC3(CC3)C2)C1 ZINC001169047631 969363735 /nfs/dbraw/zinc/36/37/35/969363735.db2.gz RVMDWPRTDRZLQW-MNOVXSKESA-N 0 3 240.303 1.297 20 5 BDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1COC1 ZINC001254533475 969727096 /nfs/dbraw/zinc/72/70/96/969727096.db2.gz LIHWIZJQDUDGPH-VIFPVBQESA-N 0 3 236.271 1.514 20 5 BDBDHN CN1CC[C@@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225382501 974458628 /nfs/dbraw/zinc/45/86/28/974458628.db2.gz OPTFRYYJOWUFGX-SECBINFHSA-N 0 3 240.234 1.817 20 5 BDBDHN Cc1cc(NC(=O)C2(N)CCC2)cc([N+](=O)[O-])c1 ZINC001342896605 979931687 /nfs/dbraw/zinc/93/16/87/979931687.db2.gz GKRRMZSVBYVDAM-UHFFFAOYSA-N 0 3 249.270 1.723 20 5 BDBDHN C[C@H]1COC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000688049047 985531693 /nfs/dbraw/zinc/53/16/93/985531693.db2.gz PFLOLAOFWISSIG-GXSJLCMTSA-N 0 3 236.271 1.719 20 5 BDBDHN Cc1ccc(CNC(C)(C)CO)cc1[N+](=O)[O-] ZINC000037239044 361761903 /nfs/dbraw/zinc/76/19/03/361761903.db2.gz QZPZFSOHGHBHFZ-UHFFFAOYSA-N 0 3 238.287 1.764 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNCCCCO ZINC000193253338 178270718 /nfs/dbraw/zinc/27/07/18/178270718.db2.gz XRHRYSDJZNJPKK-UHFFFAOYSA-N 0 3 238.287 1.765 20 5 BDBDHN CN(C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304391011 342834854 /nfs/dbraw/zinc/83/48/54/342834854.db2.gz SXTNWXHJZSOVIX-UHFFFAOYSA-N 0 3 244.682 1.617 20 5 BDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C(C)(C)CO ZINC000134841824 342898531 /nfs/dbraw/zinc/89/85/31/342898531.db2.gz OACFFFSVVWUESY-UHFFFAOYSA-N 0 3 238.287 1.798 20 5 BDBDHN CC(C)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394587 187224658 /nfs/dbraw/zinc/22/46/58/187224658.db2.gz UPWINEXVZHVIJI-JTQLQIEISA-N 0 3 238.291 1.837 20 5 BDBDHN Cc1ccc(CN[C@H](C)CO)cc1[N+](=O)[O-] ZINC000037258319 343341622 /nfs/dbraw/zinc/34/16/22/343341622.db2.gz CTINPSMKNCXUQL-SECBINFHSA-N 0 3 224.260 1.374 20 5 BDBDHN C[C@H](CNc1ccncc1[N+](=O)[O-])N(C)C ZINC000038089187 343967024 /nfs/dbraw/zinc/96/70/24/343967024.db2.gz OQVLMTWXAUTWRG-MRVPVSSYSA-N 0 3 224.264 1.352 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CCF)cc1 ZINC000593689170 347927691 /nfs/dbraw/zinc/92/76/91/347927691.db2.gz KGMWUBHWJFYITC-JTQLQIEISA-N 0 3 242.250 1.405 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](O)C2)c1 ZINC000594998872 348168611 /nfs/dbraw/zinc/16/86/11/348168611.db2.gz KFPKCIJSRSDMTA-HOMQSWHASA-N 0 3 222.244 1.208 20 5 BDBDHN C[C@@H](NC/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595073204 348188731 /nfs/dbraw/zinc/18/87/31/348188731.db2.gz SZXGTYPUNLCOHV-VMZHVLLKSA-N 0 3 236.271 1.794 20 5 BDBDHN C[C@@H](NC/C=C/CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073151 348188743 /nfs/dbraw/zinc/18/87/43/348188743.db2.gz SKJZGROZCHVMGL-VMZHVLLKSA-N 0 3 236.271 1.794 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC/C=C/CO ZINC000595071628 348188842 /nfs/dbraw/zinc/18/88/42/348188842.db2.gz POZBBLOBZZAZCP-ISUDXETCSA-N 0 3 248.282 1.720 20 5 BDBDHN O=[N+]([O-])c1ccc(CCNCc2ccno2)cc1 ZINC000231896557 351442794 /nfs/dbraw/zinc/44/27/94/351442794.db2.gz QJTMPCYTTRZIBI-UHFFFAOYSA-N 0 3 247.254 1.915 20 5 BDBDHN CC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)O ZINC000386754147 363038744 /nfs/dbraw/zinc/03/87/44/363038744.db2.gz HDDLCANKWWOCQT-IONNQARKSA-N 0 3 244.316 1.905 20 5 BDBDHN CC(C)[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459104 357221581 /nfs/dbraw/zinc/22/15/81/357221581.db2.gz DKSAQEWXKHRIQC-JTQLQIEISA-N 0 3 237.259 1.517 20 5 BDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000583244571 357697150 /nfs/dbraw/zinc/69/71/50/357697150.db2.gz VINJURMMSYTFGG-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000237806802 181329959 /nfs/dbraw/zinc/32/99/59/181329959.db2.gz GTMNFCVEDVVYRA-UHFFFAOYSA-N 0 3 249.270 1.805 20 5 BDBDHN CC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000124744772 371229651 /nfs/dbraw/zinc/22/96/51/371229651.db2.gz LQEFTGCHOPCJQF-LLVKDONJSA-N 0 3 238.287 1.764 20 5 BDBDHN C[C@H](CNc1cccnc1[N+](=O)[O-])N(C)C ZINC000156941397 371509970 /nfs/dbraw/zinc/50/99/70/371509970.db2.gz GEPKDYVEFXELAD-MRVPVSSYSA-N 0 3 224.264 1.352 20 5 BDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1 ZINC000082259296 182372425 /nfs/dbraw/zinc/37/24/25/182372425.db2.gz RUOXBIQIXYSLJM-LLVKDONJSA-N 0 3 249.270 1.675 20 5 BDBDHN CCCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010708 169195603 /nfs/dbraw/zinc/19/56/03/169195603.db2.gz RIVDQNPEFPKMAT-SNVBAGLBSA-N 0 3 238.291 1.838 20 5 BDBDHN CN(C)CCN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000288444505 383894601 /nfs/dbraw/zinc/89/46/01/383894601.db2.gz PAJQKKDXKYKGSQ-UHFFFAOYSA-N 0 3 238.291 1.175 20 5 BDBDHN Cc1ccc(CN[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811559 383943385 /nfs/dbraw/zinc/94/33/85/383943385.db2.gz YFUHABVSRWVJOB-SNVBAGLBSA-N 0 3 238.287 1.764 20 5 BDBDHN CN(CCNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000226772503 384163136 /nfs/dbraw/zinc/16/31/36/384163136.db2.gz QYOBNQXGOGIGEY-UHFFFAOYSA-N 0 3 242.304 1.557 20 5 BDBDHN CN(CCNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000062010246 385025130 /nfs/dbraw/zinc/02/51/30/385025130.db2.gz VRPYLTUKSZVMTJ-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN Cc1cnc(OC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000330871362 385701720 /nfs/dbraw/zinc/70/17/20/385701720.db2.gz GFXZNCNFGYXYHX-VIFPVBQESA-N 0 3 239.275 1.627 20 5 BDBDHN CC[C@H]1CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000292470685 385702177 /nfs/dbraw/zinc/70/21/77/385702177.db2.gz RHFXJHZPYFVPLC-VIFPVBQESA-N 0 3 224.264 1.276 20 5 BDBDHN CN(CCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000058938208 386607450 /nfs/dbraw/zinc/60/74/50/386607450.db2.gz VQKLZYKBHZOBEX-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN CN(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192450207 387368111 /nfs/dbraw/zinc/36/81/11/387368111.db2.gz YHAZVLSKDHADHA-SSDOTTSWSA-N 0 3 242.304 1.192 20 5 BDBDHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295879749 387467124 /nfs/dbraw/zinc/46/71/24/387467124.db2.gz GWWVRBQFNHBBJX-UISBYWKRSA-N 0 3 236.271 1.769 20 5 BDBDHN C[C@H](C[C@H](C)O)NCc1cccc([N+](=O)[O-])c1 ZINC000228085752 387694947 /nfs/dbraw/zinc/69/49/47/387694947.db2.gz QRVHNDFWQMVKSX-ZJUUUORDSA-N 0 3 238.287 1.844 20 5 BDBDHN Cc1cnc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000090692089 388472038 /nfs/dbraw/zinc/47/20/38/388472038.db2.gz QIHZOLGURCDXCN-SECBINFHSA-N 0 3 238.291 1.660 20 5 BDBDHN CN1CC=C(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000271878232 388410308 /nfs/dbraw/zinc/41/03/08/388410308.db2.gz UMEZGZDOIYOQCA-UHFFFAOYSA-N 0 3 248.286 1.664 20 5 BDBDHN C[C@@H](CO)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000123226144 388637656 /nfs/dbraw/zinc/63/76/56/388637656.db2.gz SVCOHLUHENLJET-UWVGGRQHSA-N 0 3 238.287 1.701 20 5 BDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCCF)CC2 ZINC000332715391 388797966 /nfs/dbraw/zinc/79/79/66/388797966.db2.gz QAUBGJJQNZTLIJ-UHFFFAOYSA-N 0 3 239.250 1.708 20 5 BDBDHN CN(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420491 388800220 /nfs/dbraw/zinc/80/02/20/388800220.db2.gz FTEUKPAUMGDKGL-UHFFFAOYSA-N 0 3 227.239 1.707 20 5 BDBDHN C[C@@H](NCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283919650 388825841 /nfs/dbraw/zinc/82/58/41/388825841.db2.gz DPFNZJDANZAEKW-MRVPVSSYSA-N 0 3 239.275 1.210 20 5 BDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000034871771 132268791 /nfs/dbraw/zinc/26/87/91/132268791.db2.gz IBYRCGPBLYCJMO-RKDXNWHRSA-N 0 3 236.275 1.176 20 5 BDBDHN CC[C@@H]1CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000292470683 171022908 /nfs/dbraw/zinc/02/29/08/171022908.db2.gz RHFXJHZPYFVPLC-SECBINFHSA-N 0 3 224.264 1.276 20 5 BDBDHN COCCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000112204769 174330353 /nfs/dbraw/zinc/33/03/53/174330353.db2.gz BWSFVWHOZUJWJN-GQCTYLIASA-N 0 3 236.271 1.844 20 5 BDBDHN COc1cc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000111045489 175002443 /nfs/dbraw/zinc/00/24/43/175002443.db2.gz SPSGAGCTNWXTBY-UHFFFAOYSA-N 0 3 239.275 1.577 20 5 BDBDHN C[C@@H]1CCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330393786 176131678 /nfs/dbraw/zinc/13/16/78/176131678.db2.gz CGMASFOHXMJEDZ-BDAKNGLRSA-N 0 3 238.291 1.607 20 5 BDBDHN C[C@@H](NC[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000035601433 176991737 /nfs/dbraw/zinc/99/17/37/176991737.db2.gz UHDFAXSDAMNOAE-DTWKUNHWSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351783321 177263856 /nfs/dbraw/zinc/26/38/56/177263856.db2.gz RKWHIXOZNFGJPH-JOYOIKCWSA-N 0 3 236.271 1.407 20 5 BDBDHN C[C@@H](O)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000051821453 488048975 /nfs/dbraw/zinc/04/89/75/488048975.db2.gz FLIQYCGFKNAEKV-SECBINFHSA-N 0 3 224.260 1.407 20 5 BDBDHN CC(COC(=O)[C@H]1CCCCS1)[N+](=O)[O-] ZINC000813106707 582582044 /nfs/dbraw/zinc/58/20/44/582582044.db2.gz GBWRAWHCIOHMIM-JGVFFNPUSA-N 0 3 233.289 1.481 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1N(C)CC1CN(C)C1 ZINC000853824485 588764734 /nfs/dbraw/zinc/76/47/34/588764734.db2.gz HSBRDZCYIVFHFW-UHFFFAOYSA-N 0 3 249.314 1.901 20 5 BDBDHN CC(COC(=O)[C@@H]1CC12CCCC2)[N+](=O)[O-] ZINC000813102707 582580724 /nfs/dbraw/zinc/58/07/24/582580724.db2.gz JFVNDFCUWUOPHT-BDAKNGLRSA-N 0 3 227.260 1.775 20 5 BDBDHN CC(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[N+](=O)[O-] ZINC000813108281 582586431 /nfs/dbraw/zinc/58/64/31/582586431.db2.gz XCXUPTORYMPSBW-IMSYWVGJSA-N 0 3 227.260 1.631 20 5 BDBDHN CC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114088 582591436 /nfs/dbraw/zinc/59/14/36/582591436.db2.gz YPXKLDBBMOJZAK-YUMQZZPRSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N+](=O)[O-] ZINC000893046886 583037838 /nfs/dbraw/zinc/03/78/38/583037838.db2.gz GSCIXQFVUURGOW-AATLWQCWSA-N 0 3 243.259 1.010 20 5 BDBDHN O=[N+]([O-])CCNCCCOC1CCCCC1 ZINC000899865531 584245385 /nfs/dbraw/zinc/24/53/85/584245385.db2.gz HHRAICPHNOLFHL-UHFFFAOYSA-N 0 3 230.308 1.592 20 5 BDBDHN Cc1ccc(CCNCC[N+](=O)[O-])cc1C ZINC000899891022 584246056 /nfs/dbraw/zinc/24/60/56/584246056.db2.gz GORNXEVRGMXDRX-UHFFFAOYSA-N 0 3 222.288 1.712 20 5 BDBDHN CC(COC(=O)COc1ccsc1)[N+](=O)[O-] ZINC000813102634 586591861 /nfs/dbraw/zinc/59/18/61/586591861.db2.gz HUGFCVSHLJHEMH-ZETCQYMHSA-N 0 3 245.256 1.335 20 5 BDBDHN CC(COC(=O)CCc1ccco1)[N+](=O)[O-] ZINC000813103029 586591945 /nfs/dbraw/zinc/59/19/45/586591945.db2.gz YMGDAMBXPVPYBX-MRVPVSSYSA-N 0 3 227.216 1.421 20 5 BDBDHN CC(COC(=O)C=C1CCSCC1)[N+](=O)[O-] ZINC000813103000 586592208 /nfs/dbraw/zinc/59/22/08/586592208.db2.gz XTPNFFXGEKWDAQ-MRVPVSSYSA-N 0 3 245.300 1.648 20 5 BDBDHN Cc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813105222 586592354 /nfs/dbraw/zinc/59/23/54/586592354.db2.gz KREGOXKAYSCMBI-RXMQYKEDSA-N 0 3 228.204 1.113 20 5 BDBDHN CC(COC(=O)CCc1ccsc1)[N+](=O)[O-] ZINC000813103818 586592408 /nfs/dbraw/zinc/59/24/08/586592408.db2.gz UNTRJEVVUAINNH-QMMMGPOBSA-N 0 3 243.284 1.889 20 5 BDBDHN CC(COC(=O)[C@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813103867 586592424 /nfs/dbraw/zinc/59/24/24/586592424.db2.gz HNGOLMSGEPBCQO-BQBZGAKWSA-N 0 3 237.202 1.630 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813105577 586592520 /nfs/dbraw/zinc/59/25/20/586592520.db2.gz PKKXBPROOQAHGC-SSDOTTSWSA-N 0 3 227.216 1.339 20 5 BDBDHN CC(COC(=O)[C@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000813104102 586592572 /nfs/dbraw/zinc/59/25/72/586592572.db2.gz JYKCMFFQQIMCHG-CRCLSJGQSA-N 0 3 242.058 1.389 20 5 BDBDHN CCOC1CC(CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813106421 586592866 /nfs/dbraw/zinc/59/28/66/586592866.db2.gz CQXLPUZKFLJGHG-IDKOKCKLSA-N 0 3 245.275 1.400 20 5 BDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813109771 586593121 /nfs/dbraw/zinc/59/31/21/586593121.db2.gz WKPPXLPNJXQBRU-LURJTMIESA-N 0 3 228.204 1.059 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccccc1)[N+](=O)[O-] ZINC000813109265 586593311 /nfs/dbraw/zinc/59/33/11/586593311.db2.gz HNPWLNSLSNXUGF-ZMLRMANQSA-N 0 3 249.266 1.999 20 5 BDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813109772 586593361 /nfs/dbraw/zinc/59/33/61/586593361.db2.gz WKPPXLPNJXQBRU-ZCFIWIBFSA-N 0 3 228.204 1.059 20 5 BDBDHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813110751 586593724 /nfs/dbraw/zinc/59/37/24/586593724.db2.gz IRHYJXJEPRCQEZ-OIBJUYFYSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)/C=C/C1CCOCC1)[N+](=O)[O-] ZINC000813113125 586593834 /nfs/dbraw/zinc/59/38/34/586593834.db2.gz BKBFHXXTRVQCKW-HPOULIHZSA-N 0 3 243.259 1.178 20 5 BDBDHN CC(COC(=O)[C@H]1Cc2ccccc21)[N+](=O)[O-] ZINC000813112638 586593924 /nfs/dbraw/zinc/59/39/24/586593924.db2.gz RZFIAYDLGJSNKM-KWQFWETISA-N 0 3 235.239 1.535 20 5 BDBDHN CC(COC(=O)C=C(C1CC1)C1CC1)[N+](=O)[O-] ZINC000813114299 586593934 /nfs/dbraw/zinc/59/39/34/586593934.db2.gz PDALZLFFKXQTCZ-QMMMGPOBSA-N 0 3 239.271 1.941 20 5 BDBDHN CC[C@@](C)(OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112966 586593952 /nfs/dbraw/zinc/59/39/52/586593952.db2.gz MRBPZRPLKBIIOE-IONNQARKSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)C1CC(C)(C)C1)[N+](=O)[O-] ZINC000813114675 586594034 /nfs/dbraw/zinc/59/40/34/586594034.db2.gz FPQVXIKNJLZALJ-SSDOTTSWSA-N 0 3 215.249 1.631 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H]1C1CC1)[N+](=O)[O-] ZINC000816090852 586707495 /nfs/dbraw/zinc/70/74/95/586707495.db2.gz ALGLPLQYBUNKMO-ZQARSLAVSA-N 0 3 213.233 1.241 20 5 BDBDHN CC(C)C[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454336 587803086 /nfs/dbraw/zinc/80/30/86/587803086.db2.gz IZSWLZZCGXDVDC-OPRDCNLKSA-N 0 3 229.276 1.877 20 5 BDBDHN CC(COC(=O)C[C@@H](C)[C@@H]1CCCO1)[N+](=O)[O-] ZINC000851036113 588584826 /nfs/dbraw/zinc/58/48/26/588584826.db2.gz FJIOQIWXFZRRFS-UTLUCORTSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)[N+](=O)[O-] ZINC000860777790 589119518 /nfs/dbraw/zinc/11/95/18/589119518.db2.gz WEBVNCIKJQKBGO-RXKWGBCNSA-N 0 3 245.275 1.254 20 5 BDBDHN CC(COC(=O)[C@]12CCC[C@H]1OCC2)[N+](=O)[O-] ZINC000870376114 589661055 /nfs/dbraw/zinc/66/10/55/589661055.db2.gz AYVIVERLESYAAQ-NGZCFLSTSA-N 0 3 243.259 1.154 20 5 BDBDHN CC(COC(=O)[C@]12C[C@H]1CCCC2)[N+](=O)[O-] ZINC000870376774 589661105 /nfs/dbraw/zinc/66/11/05/589661105.db2.gz MRMJYJJTDVLZQN-FXPVBKGRSA-N 0 3 227.260 1.775 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H](C)O[C@H]1C)[N+](=O)[O-] ZINC000870378327 589661527 /nfs/dbraw/zinc/66/15/27/589661527.db2.gz VPEXUCJAKAFNDC-HXFLIBJXSA-N 0 3 231.248 1.008 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](CF)C2)c1 ZINC000880293168 590987716 /nfs/dbraw/zinc/98/77/16/590987716.db2.gz FHENJFGMEWLEPZ-SECBINFHSA-N 0 3 242.254 1.083 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccc(F)c1 ZINC000905027566 637573168 /nfs/dbraw/zinc/57/31/68/637573168.db2.gz PKAXTGXQIPXBSL-UHFFFAOYSA-N 0 3 212.224 1.235 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc2[nH]ccc2c1 ZINC000905245470 637705149 /nfs/dbraw/zinc/70/51/49/637705149.db2.gz FAHGMTCDZQUNEN-UHFFFAOYSA-N 0 3 233.271 1.577 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CSc2ccccc21 ZINC000905276110 637733178 /nfs/dbraw/zinc/73/31/78/637733178.db2.gz WKTZJNKNPWEOCH-VIFPVBQESA-N 0 3 238.312 1.742 20 5 BDBDHN Cc1ccc(F)c(CCNCC[N+](=O)[O-])c1 ZINC000905280017 637734633 /nfs/dbraw/zinc/73/46/33/637734633.db2.gz NTZZRQYPZZBPSY-UHFFFAOYSA-N 0 3 226.251 1.543 20 5 BDBDHN CC1(C)[C@H](CNCC[N+](=O)[O-])C1(F)F ZINC000905375142 637793387 /nfs/dbraw/zinc/79/33/87/637793387.db2.gz XGIVZAFLXFKRKB-LURJTMIESA-N 0 3 208.208 1.144 20 5 BDBDHN O=[N+]([O-])CCNCCc1cnc2ccccc2c1 ZINC000905564797 637849408 /nfs/dbraw/zinc/84/94/08/637849408.db2.gz NQTBIZYWWXEUMS-UHFFFAOYSA-N 0 3 245.282 1.644 20 5 BDBDHN CCC(=CC(=O)OCC(C)[N+](=O)[O-])CC ZINC000813115579 643414704 /nfs/dbraw/zinc/41/47/04/643414704.db2.gz VWZGJKIBWQDHHU-MRVPVSSYSA-N 0 3 215.249 1.941 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](CO)C1 ZINC000923007651 644226574 /nfs/dbraw/zinc/22/65/74/644226574.db2.gz KUNIYMLDBBPRCT-HOMQSWHASA-N 0 3 236.271 1.455 20 5 BDBDHN CCS[C@@H]1CC[C@H](N(C)CC[N+](=O)[O-])C1 ZINC000929749390 646279753 /nfs/dbraw/zinc/27/97/53/646279753.db2.gz KNQFJTJPOICINE-VHSXEESVSA-N 0 3 232.349 1.869 20 5 BDBDHN O=[N+]([O-])CCN1CC[C@H](C2CCOCC2)C1 ZINC000930096732 646433635 /nfs/dbraw/zinc/43/36/35/646433635.db2.gz JWHAVWIFNPHIHN-NSHDSACASA-N 0 3 228.292 1.012 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2nccs2)C1 ZINC001168958807 969309146 /nfs/dbraw/zinc/30/91/46/969309146.db2.gz PVWSRYORPRJXJR-DTWKUNHWSA-N 0 3 241.316 1.678 20 5 BDBDHN CC1(C)COCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037701 969356188 /nfs/dbraw/zinc/35/61/88/969356188.db2.gz SXMMAXQIQCWPLK-MNOVXSKESA-N 0 3 242.319 1.543 20 5 BDBDHN O=C1CCCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169021008 969360276 /nfs/dbraw/zinc/36/02/76/969360276.db2.gz NECWRFHFADIJHN-QWRGUYRKSA-N 0 3 240.303 1.487 20 5 BDBDHN CN1CC[C@H](Nc2cccc([N+](=O)[O-])n2)C1 ZINC001156580890 963394612 /nfs/dbraw/zinc/39/46/12/963394612.db2.gz ZGROEPIJFREITJ-QMMMGPOBSA-N 0 3 222.248 1.106 20 5 BDBDHN C[C@@H](N)c1ccn(-c2cccc([N+](=O)[O-])n2)n1 ZINC001158349963 963852456 /nfs/dbraw/zinc/85/24/56/963852456.db2.gz XCHYZASNDDNGGM-SSDOTTSWSA-N 0 3 233.231 1.195 20 5 BDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CN3CCC2CC3)cn1 ZINC000054613342 964058316 /nfs/dbraw/zinc/05/83/16/964058316.db2.gz FYVVBALHVSYXRZ-LLVKDONJSA-N 0 3 248.286 1.496 20 5 BDBDHN Cc1cc(CN)nn1-c1cc(C)c([N+](=O)[O-])cn1 ZINC001163981750 965675880 /nfs/dbraw/zinc/67/58/80/965675880.db2.gz QBAYTUKUQFKBFU-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cscn2)C1 ZINC001168956223 969305059 /nfs/dbraw/zinc/30/50/59/969305059.db2.gz AJNHZIQIGIDYFJ-DTWKUNHWSA-N 0 3 241.316 1.678 20 5 BDBDHN Cc1cc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168963607 969315782 /nfs/dbraw/zinc/31/57/82/969315782.db2.gz PAFBGVOFEMWTIQ-UWVGGRQHSA-N 0 3 239.275 1.518 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2Cc3cccnc3C2)C1 ZINC001169007723 969335289 /nfs/dbraw/zinc/33/52/89/969335289.db2.gz PUSXYNLPTYRKHN-CMPLNLGQSA-N 0 3 247.298 1.843 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012183 969336836 /nfs/dbraw/zinc/33/68/36/969336836.db2.gz OOWUZUBXDQQHMA-OUAUKWLOSA-N 0 3 228.292 1.153 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCOC3(CC3)C2)C1 ZINC001169047632 969364913 /nfs/dbraw/zinc/36/49/13/969364913.db2.gz RVMDWPRTDRZLQW-QWRGUYRKSA-N 0 3 240.303 1.297 20 5 BDBDHN CN(Cc1ccno1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046894 969366129 /nfs/dbraw/zinc/36/61/29/969366129.db2.gz OFOZNKKQHSOUPC-ZJUUUORDSA-N 0 3 239.275 1.552 20 5 BDBDHN CCC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581094 969744903 /nfs/dbraw/zinc/74/49/03/969744903.db2.gz KCEQVSVHYQTEOV-NSHDSACASA-N 0 3 248.282 1.631 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1C[C@H]1Cc1ccccc1 ZINC001335989109 977408631 /nfs/dbraw/zinc/40/86/31/977408631.db2.gz ZUYSEIWZRXVRLE-VXGBXAGGSA-N 0 3 220.272 1.484 20 5 BDBDHN C[C@@H](NCC[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC001336819746 977984427 /nfs/dbraw/zinc/98/44/27/977984427.db2.gz GOTOLRUAISXZNZ-PWSUYJOCSA-N 0 3 238.287 1.149 20 5 BDBDHN CO[C@@H]1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001123041443 990494887 /nfs/dbraw/zinc/49/48/87/990494887.db2.gz DCWQHRZDJHONDQ-IWSPIJDZSA-N 0 3 231.248 1.010 20 5 BDBDHN CO[C@@H]1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001123041441 990494998 /nfs/dbraw/zinc/49/49/98/990494998.db2.gz DCWQHRZDJHONDQ-DJLDLDEBSA-N 0 3 231.248 1.010 20 5 BDBDHN Cc1cc(N[C@@H](C)CN(C)C)ncc1[N+](=O)[O-] ZINC000168933328 178178843 /nfs/dbraw/zinc/17/88/43/178178843.db2.gz JKDFHZWEBRPDNA-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN Cc1cc([N+](=O)[O-])cn(C[C@@H](C)N(C)C)c1=O ZINC000331070229 178273505 /nfs/dbraw/zinc/27/35/05/178273505.db2.gz CJJCTGGPFLITMI-SECBINFHSA-N 0 3 239.275 1.015 20 5 BDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000033555470 398310463 /nfs/dbraw/zinc/31/04/63/398310463.db2.gz RQVGDKNVMVATFC-IUCAKERBSA-N 0 3 236.275 1.176 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H]2O)cc1 ZINC000382300342 349873188 /nfs/dbraw/zinc/87/31/88/349873188.db2.gz NGBQLFJCHDLGQO-GHMZBOCLSA-N 0 3 222.244 1.208 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1N(C)CCN(C)C ZINC000080685227 345431079 /nfs/dbraw/zinc/43/10/79/345431079.db2.gz QXMPWKGWTHYENT-UHFFFAOYSA-N 0 3 237.303 1.901 20 5 BDBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000083662429 537918676 /nfs/dbraw/zinc/91/86/76/537918676.db2.gz DEVSGOWTZGBNKU-SECBINFHSA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCOC1 ZINC000591641886 347682261 /nfs/dbraw/zinc/68/22/61/347682261.db2.gz OAFSPGMYHYVJKP-KTLBGCOUSA-N 0 3 248.282 1.987 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCOC1 ZINC000594502484 348063897 /nfs/dbraw/zinc/06/38/97/348063897.db2.gz OLHBYKXRMFYIQE-SKDRFNHKSA-N 0 3 248.282 1.961 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C[C@H](O)C1 ZINC000595102882 348195790 /nfs/dbraw/zinc/19/57/90/348195790.db2.gz KEMQYOVFKJGXOM-AUTRQRHGSA-N 0 3 248.282 1.695 20 5 BDBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000386898606 363059251 /nfs/dbraw/zinc/05/92/51/363059251.db2.gz OKQWXDAODNTXJF-SKDRFNHKSA-N 0 3 238.287 1.844 20 5 BDBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386911865 363060770 /nfs/dbraw/zinc/06/07/70/363060770.db2.gz QCDSLFCLSMTTCH-SKDRFNHKSA-N 0 3 238.287 1.844 20 5 BDBDHN CN(C)CCSc1ncc([N+](=O)[O-])cc1F ZINC000413183225 191360837 /nfs/dbraw/zinc/36/08/37/191360837.db2.gz HZHYFLWDSQUPJW-UHFFFAOYSA-N 0 3 245.279 1.783 20 5 BDBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352186354 134099739 /nfs/dbraw/zinc/09/97/39/134099739.db2.gz LITYYYRCHRIXNA-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN Cc1c(NC(=O)[C@H](C)N)cccc1[N+](=O)[O-] ZINC000035222882 356418369 /nfs/dbraw/zinc/41/83/69/356418369.db2.gz MKJHIDMYRHXNNI-ZETCQYMHSA-N 0 3 223.232 1.189 20 5 BDBDHN C[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582251916 356681381 /nfs/dbraw/zinc/68/13/81/356681381.db2.gz NLWMUUUMRWQSPO-KCJUWKMLSA-N 0 3 236.271 1.553 20 5 BDBDHN Cc1c(CNC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000035648939 358015940 /nfs/dbraw/zinc/01/59/40/358015940.db2.gz UPUONFRXMHAZOU-QMMMGPOBSA-N 0 3 224.260 1.374 20 5 BDBDHN CN(C)CCSc1cccnc1[N+](=O)[O-] ZINC000601127507 371728525 /nfs/dbraw/zinc/72/85/25/371728525.db2.gz HZLNWSMZCCZJDB-UHFFFAOYSA-N 0 3 227.289 1.644 20 5 BDBDHN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602871900 371850497 /nfs/dbraw/zinc/85/04/97/371850497.db2.gz TWABBEBJXUPSJO-MRVPVSSYSA-N 0 3 240.307 1.853 20 5 BDBDHN CCCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965678 371859689 /nfs/dbraw/zinc/85/96/89/371859689.db2.gz LDOJHBNZAKEBRB-GFCCVEGCSA-N 0 3 238.287 1.802 20 5 BDBDHN C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000134180993 372174276 /nfs/dbraw/zinc/17/42/76/372174276.db2.gz YJBHGOXMACEMHL-JOYOIKCWSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccc(CCNCc2cc[nH]n2)cc1 ZINC000040675974 373586551 /nfs/dbraw/zinc/58/65/51/373586551.db2.gz OWLZMWLBIJMGLC-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H](C)N1 ZINC000226766602 384127730 /nfs/dbraw/zinc/12/77/30/384127730.db2.gz AQVNXUFIIWRTKQ-KNVOCYPGSA-N 0 3 242.304 1.238 20 5 BDBDHN C[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000178021742 384194237 /nfs/dbraw/zinc/19/42/37/384194237.db2.gz WIMAJICTUPDPNT-GFCCVEGCSA-N 0 3 236.271 1.552 20 5 BDBDHN C[C@H](CO)CNCc1ccccc1[N+](=O)[O-] ZINC000082367485 384210803 /nfs/dbraw/zinc/21/08/03/384210803.db2.gz VQNIVVMOCASEBC-VIFPVBQESA-N 0 3 224.260 1.313 20 5 BDBDHN Cc1cn[nH]c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000289795371 384282528 /nfs/dbraw/zinc/28/25/28/384282528.db2.gz HYUJVUNTJXBWLG-UHFFFAOYSA-N 0 3 246.270 1.916 20 5 BDBDHN COC[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000045657046 384402295 /nfs/dbraw/zinc/40/22/95/384402295.db2.gz ZPRLWVARKPHXMR-JTQLQIEISA-N 0 3 238.287 1.967 20 5 BDBDHN C[C@@H](O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000127246246 384411362 /nfs/dbraw/zinc/41/13/62/384411362.db2.gz WYILWNIMOGCPJO-SECBINFHSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@H](NC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261863356 384891611 /nfs/dbraw/zinc/89/16/11/384891611.db2.gz RMNZJHAHUOKKLR-QMMMGPOBSA-N 0 3 249.270 1.674 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCC[C@H]2O)c1 ZINC000052926369 386371159 /nfs/dbraw/zinc/37/11/59/386371159.db2.gz RWPRAYQJJGDINS-NWDGAFQWSA-N 0 3 236.271 1.598 20 5 BDBDHN C[C@@H](NCCN1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000358344706 386934053 /nfs/dbraw/zinc/93/40/53/386934053.db2.gz XNKBIWRMDVWJGZ-LLVKDONJSA-N 0 3 249.314 1.951 20 5 BDBDHN Cc1ccc([C@@H](C)N[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000035602291 387374198 /nfs/dbraw/zinc/37/41/98/387374198.db2.gz OSFXOTKADJIUEH-VHSXEESVSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](C)CN(C)C)n1 ZINC000169032562 387379224 /nfs/dbraw/zinc/37/92/24/387379224.db2.gz AISSXSZRAYWTKP-SECBINFHSA-N 0 3 238.291 1.660 20 5 BDBDHN CCOCCNCc1ccc([N+](=O)[O-])cc1 ZINC000036228362 387883112 /nfs/dbraw/zinc/88/31/12/387883112.db2.gz XQSNFOHPIJZIMU-UHFFFAOYSA-N 0 3 224.260 1.721 20 5 BDBDHN CN(C)C/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000491647927 388351368 /nfs/dbraw/zinc/35/13/68/388351368.db2.gz XJZVITIABMIMRQ-DAXSKMNVSA-N 0 3 249.270 1.651 20 5 BDBDHN CC(C)[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227214759 388359498 /nfs/dbraw/zinc/35/94/98/388359498.db2.gz WUXBAEDCLOHXNK-LBPRGKRZSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](C)O ZINC000245748846 388430461 /nfs/dbraw/zinc/43/04/61/388430461.db2.gz GGXSLSVCOICJHY-VHSXEESVSA-N 0 3 238.287 1.968 20 5 BDBDHN C[C@H](CCCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000094942175 388437117 /nfs/dbraw/zinc/43/71/17/388437117.db2.gz SXCIXTCAEXOEHN-SNVBAGLBSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826770 388610380 /nfs/dbraw/zinc/61/03/80/388610380.db2.gz BPIYOBACCNWVEX-KOLCDFICSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@H](N[C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424314126 388696487 /nfs/dbraw/zinc/69/64/87/388696487.db2.gz KKZKYQSQCNLTMN-XXILOJSOSA-N 0 3 236.271 1.769 20 5 BDBDHN CC[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000096478703 388820681 /nfs/dbraw/zinc/82/06/81/388820681.db2.gz NGOVTGGLYJNXFC-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN CN(C)CCSc1ncccc1[N+](=O)[O-] ZINC000299333433 388837847 /nfs/dbraw/zinc/83/78/47/388837847.db2.gz JBBCDDKIOFANHR-UHFFFAOYSA-N 0 3 227.289 1.644 20 5 BDBDHN Cc1c([C@@H](C)NCCCO)cccc1[N+](=O)[O-] ZINC000268705182 177629582 /nfs/dbraw/zinc/62/95/82/177629582.db2.gz HSPBVEGJGLXWGW-SNVBAGLBSA-N 0 3 238.287 1.936 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN[C@@H](C)C2)c1 ZINC000094659268 132238987 /nfs/dbraw/zinc/23/89/87/132238987.db2.gz LAVDCKCLOMYXKM-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN CN1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000218041830 134251476 /nfs/dbraw/zinc/25/14/76/134251476.db2.gz UXUWPCGBEKORFK-VIFPVBQESA-N 0 3 236.275 1.496 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCc2cn[nH]c2)cc1 ZINC000289826281 410462735 /nfs/dbraw/zinc/46/27/35/410462735.db2.gz MKEKUOZWIUCPFR-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021798912 170127368 /nfs/dbraw/zinc/12/73/68/170127368.db2.gz LJAQTXKOTLFMDO-UHFFFAOYSA-N 0 3 210.233 1.713 20 5 BDBDHN CC[C@H](O)CCNCc1csc([N+](=O)[O-])c1 ZINC000131702870 171560747 /nfs/dbraw/zinc/56/07/47/171560747.db2.gz DDPKAQPEUDDWBQ-VIFPVBQESA-N 0 3 244.316 1.907 20 5 BDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)C ZINC000091557097 172248977 /nfs/dbraw/zinc/24/89/77/172248977.db2.gz XRMOBYXWBNGBOF-UHFFFAOYSA-N 0 3 241.295 1.093 20 5 BDBDHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000042375253 173154390 /nfs/dbraw/zinc/15/43/90/173154390.db2.gz POPCBFCPJNTHLR-QMMMGPOBSA-N 0 3 222.248 1.106 20 5 BDBDHN C[C@@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000159464497 176019361 /nfs/dbraw/zinc/01/93/61/176019361.db2.gz GGXSLSVCOICJHY-ZJUUUORDSA-N 0 3 238.287 1.968 20 5 BDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266887638 176171127 /nfs/dbraw/zinc/17/11/27/176171127.db2.gz CLSPIIWSMXTBJJ-SECBINFHSA-N 0 3 224.264 1.133 20 5 BDBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267092388 177162089 /nfs/dbraw/zinc/16/20/89/177162089.db2.gz QDMVIOYXSCPUSV-VIFPVBQESA-N 0 3 224.264 1.133 20 5 BDBDHN C[C@H]1C[C@@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929678 177337009 /nfs/dbraw/zinc/33/70/09/177337009.db2.gz RTSMGQDBGYCPJR-JOYOIKCWSA-N 0 3 236.271 1.550 20 5 BDBDHN CC(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[N+](=O)[O-] ZINC000813108278 582586352 /nfs/dbraw/zinc/58/63/52/582586352.db2.gz XCXUPTORYMPSBW-AXTSPUMRSA-N 0 3 227.260 1.631 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC[C@H]2C[C@H]21)[N+](=O)[O-] ZINC000851035932 582941439 /nfs/dbraw/zinc/94/14/39/582941439.db2.gz AAZBYDRWNREBOY-UTINFBMNSA-N 0 3 227.260 1.631 20 5 BDBDHN CC(COC(=O)c1ccoc1C1CC1)[N+](=O)[O-] ZINC000813109762 582586413 /nfs/dbraw/zinc/58/64/13/582586413.db2.gz OJRLZWFWVKPPRU-ZETCQYMHSA-N 0 3 239.227 1.979 20 5 BDBDHN CC(COC(=O)c1cnc2cc[nH]c2c1)[N+](=O)[O-] ZINC000893045452 583036990 /nfs/dbraw/zinc/03/69/90/583036990.db2.gz XNFSDBGNGRJVJD-SSDOTTSWSA-N 0 3 249.226 1.385 20 5 BDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000893934580 583252432 /nfs/dbraw/zinc/25/24/32/583252432.db2.gz IDNMCALKBJNFIO-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893936445 583252850 /nfs/dbraw/zinc/25/28/50/583252850.db2.gz WYYPIFHNUXAZAM-MWLCHTKSSA-N 0 3 248.286 1.130 20 5 BDBDHN O=[N+]([O-])c1cccc(CCNCc2c[nH]cn2)c1 ZINC000894368046 583439619 /nfs/dbraw/zinc/43/96/19/583439619.db2.gz XJVQNYWNGBWABG-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN O=[N+]([O-])c1cccc(CCNCc2cnc[nH]2)c1 ZINC000894368046 583439621 /nfs/dbraw/zinc/43/96/21/583439621.db2.gz XJVQNYWNGBWABG-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1COc2ccccc2C1 ZINC000899868264 584243560 /nfs/dbraw/zinc/24/35/60/584243560.db2.gz XEKKNDDJKQLEDG-SNVBAGLBSA-N 0 3 236.271 1.104 20 5 BDBDHN O=[N+]([O-])CCNC1CCN(c2ccccc2)CC1 ZINC000899874021 584245413 /nfs/dbraw/zinc/24/54/13/584245413.db2.gz XNPWQXCONINOQV-UHFFFAOYSA-N 0 3 249.314 1.522 20 5 BDBDHN CC(COC(=O)[C@]1(C)CC=CCC1)[N+](=O)[O-] ZINC000835455170 584926284 /nfs/dbraw/zinc/92/62/84/584926284.db2.gz NCLWCEQRSOGZCY-GXSJLCMTSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)/C=C\C1CCCC1)[N+](=O)[O-] ZINC000842801543 585046238 /nfs/dbraw/zinc/04/62/38/585046238.db2.gz KLZJAGLMEPKRND-ATJFRQLMSA-N 0 3 227.260 1.941 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H]1Cc1ccccc1 ZINC000791054804 585972987 /nfs/dbraw/zinc/97/29/87/585972987.db2.gz YHLDIROACVUDDD-CYBMUJFWSA-N 0 3 234.299 1.970 20 5 BDBDHN Cc1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103155 586591879 /nfs/dbraw/zinc/59/18/79/586591879.db2.gz AKKRDRILBBPHBB-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813101514 586591981 /nfs/dbraw/zinc/59/19/81/586591981.db2.gz CKQHNTAGIIUXMD-MRVPVSSYSA-N 0 3 241.243 1.729 20 5 BDBDHN CC(COC(=O)CC1CCOCC1)[N+](=O)[O-] ZINC000813102351 586592028 /nfs/dbraw/zinc/59/20/28/586592028.db2.gz DYVHISMPQMBJTR-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN CCCSCC(=O)OCC(C)[N+](=O)[O-] ZINC000813101768 586592081 /nfs/dbraw/zinc/59/20/81/586592081.db2.gz IKJUXMRKCDLJLA-SSDOTTSWSA-N 0 3 221.278 1.338 20 5 BDBDHN CC(COC(=O)C1=CCCCC1)[N+](=O)[O-] ZINC000813101816 586592153 /nfs/dbraw/zinc/59/21/53/586592153.db2.gz JIUHDDNXZXJFSF-MRVPVSSYSA-N 0 3 213.233 1.695 20 5 BDBDHN CC(COC(=O)[C@H]1CCC(=O)C[C@H]1C)[N+](=O)[O-] ZINC000813103239 586592194 /nfs/dbraw/zinc/59/21/94/586592194.db2.gz ZFZGDOQYBSCYTH-MRTMQBJTSA-N 0 3 243.259 1.200 20 5 BDBDHN CC(COC(=O)[C@H]1O[C@H](C)C[C@@H]1C)[N+](=O)[O-] ZINC000813105487 586592265 /nfs/dbraw/zinc/59/22/65/586592265.db2.gz ZUKFQWCZJOQHDN-KDXUFGMBSA-N 0 3 231.248 1.008 20 5 BDBDHN CC(COC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)[N+](=O)[O-] ZINC000813105490 586592286 /nfs/dbraw/zinc/59/22/86/586592286.db2.gz ZUKFQWCZJOQHDN-RBXMUDONSA-N 0 3 231.248 1.008 20 5 BDBDHN CC(COC(=O)C1(CCF)CC1)[N+](=O)[O-] ZINC000813104799 586592410 /nfs/dbraw/zinc/59/24/10/586592410.db2.gz HPPACZIRFFWNNS-ZETCQYMHSA-N 0 3 219.212 1.335 20 5 BDBDHN CC(COC(=O)Cc1cccs1)[N+](=O)[O-] ZINC000813109163 586592492 /nfs/dbraw/zinc/59/24/92/586592492.db2.gz ORUSBZCTNDHRHA-SSDOTTSWSA-N 0 3 229.257 1.499 20 5 BDBDHN CC(COC(=O)CCc1ccccn1)[N+](=O)[O-] ZINC000813105248 586592506 /nfs/dbraw/zinc/59/25/06/586592506.db2.gz LBAXYDZNCFWZQB-VIFPVBQESA-N 0 3 238.243 1.223 20 5 BDBDHN CCCc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813108357 586592649 /nfs/dbraw/zinc/59/26/49/586592649.db2.gz DTSUUZBRBUPTJM-ZETCQYMHSA-N 0 3 242.231 1.449 20 5 BDBDHN CC(COC(=O)c1cccc2c[nH]nc21)[N+](=O)[O-] ZINC000813107478 586592727 /nfs/dbraw/zinc/59/27/27/586592727.db2.gz OKVZYTDCBUDKLT-SSDOTTSWSA-N 0 3 249.226 1.385 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])n1C ZINC000813106420 586592844 /nfs/dbraw/zinc/59/28/44/586592844.db2.gz BYDTZYWMBMJXJH-MRVPVSSYSA-N 0 3 226.232 1.156 20 5 BDBDHN CC(COC(=O)[C@H](F)c1ccccc1)[N+](=O)[O-] ZINC000813105976 586592973 /nfs/dbraw/zinc/59/29/73/586592973.db2.gz WWRZMKSASYRTCB-PSASIEDQSA-N 0 3 241.218 1.906 20 5 BDBDHN CC(COC(=O)[C@@H](C)C1CCOCC1)[N+](=O)[O-] ZINC000813109703 586593013 /nfs/dbraw/zinc/59/30/13/586593013.db2.gz NZWHXQBXPHQQQP-IUCAKERBSA-N 0 3 245.275 1.258 20 5 BDBDHN CCc1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108363 586593115 /nfs/dbraw/zinc/59/31/15/586593115.db2.gz DXRFWBNIRUUVAT-ZCFIWIBFSA-N 0 3 244.272 1.528 20 5 BDBDHN CCn1nc(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110138 586593277 /nfs/dbraw/zinc/59/32/77/586593277.db2.gz SWAKTOHOCZJAFM-QMMMGPOBSA-N 0 3 241.247 1.033 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110300 586593539 /nfs/dbraw/zinc/59/35/39/586593539.db2.gz WVEZDYBTOSCFSS-JTQLQIEISA-N 0 3 237.255 1.746 20 5 BDBDHN CC(COC(=O)Cc1ccsc1)[N+](=O)[O-] ZINC000813112009 586593798 /nfs/dbraw/zinc/59/37/98/586593798.db2.gz YIOUZTQCELYUCU-ZETCQYMHSA-N 0 3 229.257 1.499 20 5 BDBDHN CC[C@](C)(OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112964 586593993 /nfs/dbraw/zinc/59/39/93/586593993.db2.gz MRBPZRPLKBIIOE-APPZFPTMSA-N 0 3 219.237 1.010 20 5 BDBDHN CCc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813113038 586594073 /nfs/dbraw/zinc/59/40/73/586594073.db2.gz WSCJUOURPVEDEF-MRVPVSSYSA-N 0 3 241.243 1.972 20 5 BDBDHN CC(COC(=O)CC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813113861 586594143 /nfs/dbraw/zinc/59/41/43/586594143.db2.gz JYFNGOLPEVFMLX-RKDXNWHRSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)C=C1CCCC1)[N+](=O)[O-] ZINC000813114830 586594273 /nfs/dbraw/zinc/59/42/73/586594273.db2.gz WTTHRTYQBZQILE-QMMMGPOBSA-N 0 3 213.233 1.695 20 5 BDBDHN COCCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115696 586594418 /nfs/dbraw/zinc/59/44/18/586594418.db2.gz YBGXUBJPAQPOAR-MRVPVSSYSA-N 0 3 233.264 1.258 20 5 BDBDHN Cc1c(F)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000817739820 586823534 /nfs/dbraw/zinc/82/35/34/586823534.db2.gz PBHAGYCMVBDSRM-ZETCQYMHSA-N 0 3 241.218 1.956 20 5 BDBDHN COCC1(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801787 588064897 /nfs/dbraw/zinc/06/48/97/588064897.db2.gz LXVJSSRIQKRFGT-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN CCCn1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000851035777 588585576 /nfs/dbraw/zinc/58/55/76/588585576.db2.gz ASDVYHMTVIYXOI-QMMMGPOBSA-N 0 3 241.247 1.115 20 5 BDBDHN CO[C@@H]1CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000851037137 588586073 /nfs/dbraw/zinc/58/60/73/588586073.db2.gz QGUMRAMEGZXHTF-IWSPIJDZSA-N 0 3 231.248 1.010 20 5 BDBDHN CCO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000860776394 589119366 /nfs/dbraw/zinc/11/93/66/589119366.db2.gz DXOXROXWHIFXDP-DTWKUNHWSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)[C@H]1CCCC12CC2)[N+](=O)[O-] ZINC000860777830 589119542 /nfs/dbraw/zinc/11/95/42/589119542.db2.gz WZHSVEMYUSSQLQ-RKDXNWHRSA-N 0 3 227.260 1.775 20 5 BDBDHN Cc1ccc(CNC(=O)C2(N)CC2)cc1[N+](=O)[O-] ZINC000867996225 589543061 /nfs/dbraw/zinc/54/30/61/589543061.db2.gz USEBKTLUTBTOCY-UHFFFAOYSA-N 0 3 249.270 1.011 20 5 BDBDHN CCOC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000870378814 589661422 /nfs/dbraw/zinc/66/14/22/589661422.db2.gz XTWXXTJUYDTXHC-SSDOTTSWSA-N 0 3 219.237 1.010 20 5 BDBDHN CON(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000883172515 591562259 /nfs/dbraw/zinc/56/22/59/591562259.db2.gz JNYZBRQZNONKEH-UHFFFAOYSA-N 0 3 239.275 1.178 20 5 BDBDHN C[C@H](Cc1cccs1)NCC[N+](=O)[O-] ZINC000905037147 637555826 /nfs/dbraw/zinc/55/58/26/637555826.db2.gz WDZOOCGXZYFBSD-MRVPVSSYSA-N 0 3 214.290 1.545 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCOc2ccccc21 ZINC000905101310 637611817 /nfs/dbraw/zinc/61/18/17/637611817.db2.gz JHWPFNOBRNHSKL-SNVBAGLBSA-N 0 3 236.271 1.419 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1CCCC(F)(F)C1 ZINC000905176454 637685009 /nfs/dbraw/zinc/68/50/09/637685009.db2.gz RVOKIYPNVDPWDY-ZETCQYMHSA-N 0 3 208.208 1.431 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCC2(CCCCC2)O1 ZINC000905229865 637689813 /nfs/dbraw/zinc/68/98/13/637689813.db2.gz KRWIISKHJGMUTM-NSHDSACASA-N 0 3 242.319 1.735 20 5 BDBDHN Cc1csc([C@@H](C)CNCC[N+](=O)[O-])n1 ZINC000905209680 637698068 /nfs/dbraw/zinc/69/80/68/637698068.db2.gz RUVQSBBYRQGKRW-ZETCQYMHSA-N 0 3 229.305 1.421 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(F)c(F)c1F ZINC000905207761 637698480 /nfs/dbraw/zinc/69/84/80/637698480.db2.gz INOGQNBZQFIJHB-UHFFFAOYSA-N 0 3 248.204 1.513 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1COc2ccccc21 ZINC000905262286 637716297 /nfs/dbraw/zinc/71/62/97/637716297.db2.gz ULEANTXLXVNJGL-SECBINFHSA-N 0 3 222.244 1.029 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1cccnc1 ZINC000905291555 637725684 /nfs/dbraw/zinc/72/56/84/637725684.db2.gz NCNMZVUJCSGNQV-UHFFFAOYSA-N 0 3 223.276 1.226 20 5 BDBDHN COc1cccc([C@@H]2C[C@H]2NCC[N+](=O)[O-])c1 ZINC000905279772 637735380 /nfs/dbraw/zinc/73/53/80/637735380.db2.gz MBTCLPRRVKXICZ-NWDGAFQWSA-N 0 3 236.271 1.417 20 5 BDBDHN C[C@@H](c1ccccc1)[C@H](O)CNCC[N+](=O)[O-] ZINC000905380509 637782302 /nfs/dbraw/zinc/78/23/02/637782302.db2.gz GMLQADIXUSRELZ-CMPLNLGQSA-N 0 3 238.287 1.017 20 5 BDBDHN CC1(C2CC2)CCN(CC[N+](=O)[O-])CC1 ZINC000930517648 639794977 /nfs/dbraw/zinc/79/49/77/639794977.db2.gz PUTBPECXTJKEQN-UHFFFAOYSA-N 0 3 212.293 1.775 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCN1C ZINC000916773052 641977629 /nfs/dbraw/zinc/97/76/29/641977629.db2.gz ODFYTDMOEZNHAY-VIFPVBQESA-N 0 3 224.264 1.194 20 5 BDBDHN C[C@@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185298276 643285436 /nfs/dbraw/zinc/28/54/36/643285436.db2.gz ZAOSWTQFBZNEOT-ZETCQYMHSA-N 0 3 244.678 1.719 20 5 BDBDHN N[C@H](CC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000306089914 643296948 /nfs/dbraw/zinc/29/69/48/643296948.db2.gz IUKJDUAQEJYQBP-LLVKDONJSA-N 0 3 249.270 1.661 20 5 BDBDHN N[C@@H](CC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000306089915 643298415 /nfs/dbraw/zinc/29/84/15/643298415.db2.gz IUKJDUAQEJYQBP-NSHDSACASA-N 0 3 249.270 1.661 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1C[C@@H]1Cc1ccccc1 ZINC001335989107 977409225 /nfs/dbraw/zinc/40/92/25/977409225.db2.gz ZUYSEIWZRXVRLE-NWDGAFQWSA-N 0 3 220.272 1.484 20 5 BDBDHN CC(=O)N1CCc2cc(NC=N)cc([N+](=O)[O-])c21 ZINC001167866756 961351784 /nfs/dbraw/zinc/35/17/84/961351784.db2.gz DKLSCLLMRJDBRZ-UHFFFAOYSA-N 0 3 248.242 1.523 20 5 BDBDHN Cc1cccc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001162592388 965064918 /nfs/dbraw/zinc/06/49/18/965064918.db2.gz BVQKLQXLRXEIPE-UHFFFAOYSA-N 0 3 232.243 1.548 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)C1 ZINC001169011962 969338830 /nfs/dbraw/zinc/33/88/30/969338830.db2.gz NWYPINFWVICIAU-WTPMCQDGSA-N 0 3 242.294 1.722 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCCC23COC3)C1 ZINC001169034548 969352679 /nfs/dbraw/zinc/35/26/79/969352679.db2.gz HOPHASQEZLGERC-WDEREUQCSA-N 0 3 240.303 1.297 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035864 969355244 /nfs/dbraw/zinc/35/52/44/969355244.db2.gz DOSKTSLADQMSIV-KKOKHZNYSA-N 0 3 242.319 1.541 20 5 BDBDHN C[C@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169038218 969355760 /nfs/dbraw/zinc/35/57/60/969355760.db2.gz XCIULFPSKWZYKC-YFKTTZPYSA-N 0 3 242.319 1.541 20 5 BDBDHN O=C1CCCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169021006 969360491 /nfs/dbraw/zinc/36/04/91/969360491.db2.gz NECWRFHFADIJHN-GHMZBOCLSA-N 0 3 240.303 1.487 20 5 BDBDHN CC1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254581740 969743921 /nfs/dbraw/zinc/74/39/21/969743921.db2.gz LWLWRVPOPHYIIS-NSHDSACASA-N 0 3 248.282 1.441 20 5 BDBDHN O=[N+]([O-])CCNCCc1c(F)cccc1Cl ZINC001334789759 976662490 /nfs/dbraw/zinc/66/24/90/976662490.db2.gz VSKVGPHNXFOYII-UHFFFAOYSA-N 0 3 246.669 1.888 20 5 BDBDHN C[C@H]1CN(CC[N+](=O)[O-])CC(C)(C)C1 ZINC001354590517 983326205 /nfs/dbraw/zinc/32/62/05/983326205.db2.gz HLPAYYQXPNLXAW-SECBINFHSA-N 0 3 200.282 1.631 20 5 BDBDHN CC(COC(=O)[C@H]1CCC[C@@H](F)C1)[N+](=O)[O-] ZINC001263478271 993330084 /nfs/dbraw/zinc/33/00/84/993330084.db2.gz SDDGLVXJQBNYRY-HRDYMLBCSA-N 0 3 233.239 1.723 20 5 BDBDHN CC[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000020195886 398316154 /nfs/dbraw/zinc/31/61/54/398316154.db2.gz ZDOLXRIAUNTRCY-SNVBAGLBSA-N 0 3 224.260 1.455 20 5 BDBDHN CC[C@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000123852311 398312716 /nfs/dbraw/zinc/31/27/16/398312716.db2.gz WNZKCPXAKABCRZ-LLVKDONJSA-N 0 3 238.287 1.845 20 5 BDBDHN COc1cccc(NCCN(C)C)c1[N+](=O)[O-] ZINC000134900683 342920608 /nfs/dbraw/zinc/92/06/08/342920608.db2.gz YSTIYQUSRZZPCH-UHFFFAOYSA-N 0 3 239.275 1.577 20 5 BDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC1CC1)CC2 ZINC000612469101 344899503 /nfs/dbraw/zinc/89/95/03/344899503.db2.gz OQQWDKYHKSFGAL-UHFFFAOYSA-N 0 3 233.271 1.758 20 5 BDBDHN CC(C)(CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000135226912 187298714 /nfs/dbraw/zinc/29/87/14/187298714.db2.gz VMSVNUSNDQJTRK-UHFFFAOYSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@@H](CCO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000593110314 347861136 /nfs/dbraw/zinc/86/11/36/347861136.db2.gz UMDAXIZNDJVCPB-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNC/C=C\CO ZINC000594974965 348162387 /nfs/dbraw/zinc/16/23/87/348162387.db2.gz PBCCGRZXPOFYRX-IHWYPQMZSA-N 0 3 236.271 1.541 20 5 BDBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596077296 348439068 /nfs/dbraw/zinc/43/90/68/348439068.db2.gz UOIJOIUHUPDVPT-ZETCQYMHSA-N 0 3 240.263 1.057 20 5 BDBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1CN(C)C1 ZINC000597202483 348676290 /nfs/dbraw/zinc/67/62/90/348676290.db2.gz CKOXOBVEVGMCRB-UHFFFAOYSA-N 0 3 249.314 1.588 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1C[C@H]1CCN(C)C1 ZINC000352933292 180176605 /nfs/dbraw/zinc/17/66/05/180176605.db2.gz XLJGSVJGWKNAFI-VIFPVBQESA-N 0 3 224.264 1.051 20 5 BDBDHN CN1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609493299 350428925 /nfs/dbraw/zinc/42/89/25/350428925.db2.gz FPEKPLTVXWHVIF-SECBINFHSA-N 0 3 249.270 1.485 20 5 BDBDHN Cc1nn(C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000331331609 180390655 /nfs/dbraw/zinc/39/06/55/180390655.db2.gz OUUHCGKSGFWFCX-SSDOTTSWSA-N 0 3 212.253 1.050 20 5 BDBDHN CC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386835047 363049019 /nfs/dbraw/zinc/04/90/19/363049019.db2.gz ILXGVVSMAKFICH-MWLCHTKSSA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC3CC3)nc2c1 ZINC000278774562 188030605 /nfs/dbraw/zinc/03/06/05/188030605.db2.gz UWXLWQWAWWOCJS-UHFFFAOYSA-N 0 3 246.270 1.971 20 5 BDBDHN C[C@H](CNc1ncccc1[N+](=O)[O-])N(C)C ZINC000037985893 356457826 /nfs/dbraw/zinc/45/78/26/356457826.db2.gz ZXMQZXIYETXCMU-MRVPVSSYSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@@H](N[C@@H](C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000035602131 358002369 /nfs/dbraw/zinc/00/23/69/358002369.db2.gz UNUYPZPPVKSWTB-DTWKUNHWSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035602130 358002540 /nfs/dbraw/zinc/00/25/40/358002540.db2.gz UNUYPZPPVKSWTB-BDAKNGLRSA-N 0 3 224.260 1.626 20 5 BDBDHN CC1(CNCc2ccc([N+](=O)[O-])cc2)COC1 ZINC000070987664 359068955 /nfs/dbraw/zinc/06/89/55/359068955.db2.gz PDAOHARNZMKGFK-UHFFFAOYSA-N 0 3 236.271 1.721 20 5 BDBDHN C[C@@H](NC(=O)[C@H](C)N)c1cccc([N+](=O)[O-])c1 ZINC000037766520 364599788 /nfs/dbraw/zinc/59/97/88/364599788.db2.gz XWEQJADSMKZYHX-JGVFFNPUSA-N 0 3 237.259 1.119 20 5 BDBDHN COC1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000230689022 371948972 /nfs/dbraw/zinc/94/89/72/371948972.db2.gz VJIIWCWIYQWZLO-UHFFFAOYSA-N 0 3 236.271 1.862 20 5 BDBDHN CC(C)(CO)CNCc1csc([N+](=O)[O-])c1 ZINC000133529097 372069146 /nfs/dbraw/zinc/06/91/46/372069146.db2.gz MXKSHKWDIODADR-UHFFFAOYSA-N 0 3 244.316 1.764 20 5 BDBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000339562923 383994215 /nfs/dbraw/zinc/99/42/15/383994215.db2.gz OWZZQFCLJUXDLB-BDAKNGLRSA-N 0 3 224.264 1.132 20 5 BDBDHN Cc1ccn(C[C@@H](C)N(C)C)c(=O)c1[N+](=O)[O-] ZINC000358848356 384343570 /nfs/dbraw/zinc/34/35/70/384343570.db2.gz BFIYLNKICQEXLW-SECBINFHSA-N 0 3 239.275 1.015 20 5 BDBDHN CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044386086 384657668 /nfs/dbraw/zinc/65/76/68/384657668.db2.gz CTSZGVNWDGPCJK-NSHDSACASA-N 0 3 235.287 1.389 20 5 BDBDHN C[C@@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929680 384715360 /nfs/dbraw/zinc/71/53/60/384715360.db2.gz RTSMGQDBGYCPJR-SKDRFNHKSA-N 0 3 236.271 1.550 20 5 BDBDHN C[C@@H](NC[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000086622718 385029868 /nfs/dbraw/zinc/02/98/68/385029868.db2.gz YDLDIBHORHVSKL-VHSXEESVSA-N 0 3 238.287 1.874 20 5 BDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C2CC2)CC1 ZINC000516894127 385168539 /nfs/dbraw/zinc/16/85/39/385168539.db2.gz QAOHUPLWRYFJQI-UHFFFAOYSA-N 0 3 236.275 1.361 20 5 BDBDHN CN(C)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000397976550 385732060 /nfs/dbraw/zinc/73/20/60/385732060.db2.gz PDFTXCSYMKLAFW-UHFFFAOYSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796025 385903050 /nfs/dbraw/zinc/90/30/50/385903050.db2.gz NLWMUUUMRWQSPO-KWQFWETISA-N 0 3 236.271 1.553 20 5 BDBDHN CC[C@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000294078504 386352679 /nfs/dbraw/zinc/35/26/79/386352679.db2.gz LHYMOLJTGUALEM-LLVKDONJSA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@H](CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000088195133 386891326 /nfs/dbraw/zinc/89/13/26/386891326.db2.gz AONVLPVFUXAFEW-VIFPVBQESA-N 0 3 224.260 1.313 20 5 BDBDHN Cc1ccc([C@H](C)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000035601518 387373633 /nfs/dbraw/zinc/37/36/33/387373633.db2.gz MVGJGGWDRYAATG-UWVGGRQHSA-N 0 3 238.287 1.935 20 5 BDBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])s1 ZINC000192474830 387377763 /nfs/dbraw/zinc/37/77/63/387377763.db2.gz DLTRIYCVULNUHU-UHFFFAOYSA-N 0 3 230.293 1.049 20 5 BDBDHN C[C@H](C[C@H](C)O)NCc1ccccc1[N+](=O)[O-] ZINC000228067773 388377875 /nfs/dbraw/zinc/37/78/75/388377875.db2.gz JKGOCBMPQIOHMM-ZJUUUORDSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@H](CO)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000077422253 388674907 /nfs/dbraw/zinc/67/49/07/388674907.db2.gz NYNGESMSLLGVFA-ZJUUUORDSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@@H](O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000078780462 388685244 /nfs/dbraw/zinc/68/52/44/388685244.db2.gz HXXRBWBOPGADOL-SECBINFHSA-N 0 3 224.260 1.455 20 5 BDBDHN Cc1ccc(CN[C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424202622 388695136 /nfs/dbraw/zinc/69/51/36/388695136.db2.gz QGXQUKDOXGFADO-ZYHUDNBSSA-N 0 3 236.271 1.516 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN[C@@H](C)C1 ZINC000052812141 132229391 /nfs/dbraw/zinc/22/93/91/132229391.db2.gz UGLZZTYOKPHCPH-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000034871772 132268651 /nfs/dbraw/zinc/26/86/51/132268651.db2.gz IBYRCGPBLYCJMO-BDAKNGLRSA-N 0 3 236.275 1.176 20 5 BDBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352186188 134099882 /nfs/dbraw/zinc/09/98/82/134099882.db2.gz JSPDMANRXCKFKQ-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@@H](O)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000164604054 135427075 /nfs/dbraw/zinc/42/70/75/135427075.db2.gz YBJJJBUQSIQQGF-JGVFFNPUSA-N 0 3 244.316 1.905 20 5 BDBDHN CC[C@H](C)[C@@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000330802739 171365355 /nfs/dbraw/zinc/36/53/55/171365355.db2.gz BADYGGMKWRONSH-DTWKUNHWSA-N 0 3 240.307 1.853 20 5 BDBDHN CN1CCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000227440448 173055713 /nfs/dbraw/zinc/05/57/13/173055713.db2.gz BDSQFZCIEGXIGX-LBPRGKRZSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@H]1CN(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014217 177238658 /nfs/dbraw/zinc/23/86/58/177238658.db2.gz KFIQJDUNZNBFRE-GXFFZTMASA-N 0 3 249.314 1.635 20 5 BDBDHN CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107012 586592876 /nfs/dbraw/zinc/59/28/76/586592876.db2.gz KCMVRMZGZZJVIH-ZETCQYMHSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)/C=C/C(C)(C)C)[N+](=O)[O-] ZINC000813106633 586592959 /nfs/dbraw/zinc/59/29/59/586592959.db2.gz FLMCLRQTHULAOB-GJIOHYHPSA-N 0 3 215.249 1.797 20 5 BDBDHN Cc1cccc(N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000235677514 487840317 /nfs/dbraw/zinc/84/03/17/487840317.db2.gz LBFUYPNEMXYITE-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)O ZINC000131172984 325123036 /nfs/dbraw/zinc/12/30/36/325123036.db2.gz DMXKFJXSNALMOW-NXEZZACHSA-N 0 3 238.287 1.935 20 5 BDBDHN CN[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000565844222 325965020 /nfs/dbraw/zinc/96/50/20/325965020.db2.gz UQELTFAIGZCOTL-QMMMGPOBSA-N 0 3 249.270 1.092 20 5 BDBDHN CC(COC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[N+](=O)[O-] ZINC000893046887 583038013 /nfs/dbraw/zinc/03/80/13/583038013.db2.gz GSCIXQFVUURGOW-XFWSIPNHSA-N 0 3 243.259 1.010 20 5 BDBDHN CC(C)CCSCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110038 582586798 /nfs/dbraw/zinc/58/67/98/582586798.db2.gz RCXYDCYZMYVWIB-SECBINFHSA-N 0 3 249.332 1.974 20 5 BDBDHN CC(C)CCSCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110042 582587218 /nfs/dbraw/zinc/58/72/18/582587218.db2.gz RCXYDCYZMYVWIB-VIFPVBQESA-N 0 3 249.332 1.974 20 5 BDBDHN Cc1cnc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893046927 583037543 /nfs/dbraw/zinc/03/75/43/583037543.db2.gz HTQQIRZACROVDA-ZETCQYMHSA-N 0 3 242.206 1.351 20 5 BDBDHN CC(COC(=O)/C=C/C1CCCC1)[N+](=O)[O-] ZINC000842801546 585046260 /nfs/dbraw/zinc/04/62/60/585046260.db2.gz KLZJAGLMEPKRND-XCODYQFDSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)c1ncccc1Cl)[N+](=O)[O-] ZINC000797279089 586124843 /nfs/dbraw/zinc/12/48/43/586124843.db2.gz IJBUVSGFWIGBDE-ZCFIWIBFSA-N 0 3 244.634 1.557 20 5 BDBDHN CC(COC(=O)/C=C\c1ccco1)[N+](=O)[O-] ZINC000813103168 586591961 /nfs/dbraw/zinc/59/19/61/586591961.db2.gz APFBKCDYOPNFPX-PULIVWKDSA-N 0 3 225.200 1.501 20 5 BDBDHN CC(COC(=O)COc1ccsc1)[N+](=O)[O-] ZINC000813102630 586592045 /nfs/dbraw/zinc/59/20/45/586592045.db2.gz HUGFCVSHLJHEMH-SSDOTTSWSA-N 0 3 245.256 1.335 20 5 BDBDHN CC(COC(=O)[C@@H](C)C(C)(C)C)[N+](=O)[O-] ZINC000813103111 586592115 /nfs/dbraw/zinc/59/21/15/586592115.db2.gz OBSSBTPPYOSMOV-HTQZYQBOSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)C12CCC(CC1)C2)[N+](=O)[O-] ZINC000813103743 586592322 /nfs/dbraw/zinc/59/23/22/586592322.db2.gz SEKQTHBQTHLQAC-FKTRJACZSA-N 0 3 227.260 1.775 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C ZINC000813103921 586592398 /nfs/dbraw/zinc/59/23/98/586592398.db2.gz IKAXHOVIKQVYEV-MRVPVSSYSA-N 0 3 240.259 1.464 20 5 BDBDHN CC(COC(=O)[C@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000813104103 586592436 /nfs/dbraw/zinc/59/24/36/586592436.db2.gz JYKCMFFQQIMCHG-RFZPGFLSSA-N 0 3 242.058 1.389 20 5 BDBDHN CS[C@@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104602 586592611 /nfs/dbraw/zinc/59/26/11/586592611.db2.gz FJHZNZXIQCDZPK-SFYZADRCSA-N 0 3 235.305 1.727 20 5 BDBDHN CC1=C(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813106323 586592653 /nfs/dbraw/zinc/59/26/53/586592653.db2.gz ATMYTMGNBOFLGN-QMMMGPOBSA-N 0 3 213.233 1.695 20 5 BDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106548 586592661 /nfs/dbraw/zinc/59/26/61/586592661.db2.gz DHFPUDQDJMWIET-VIFPVBQESA-N 0 3 223.228 1.817 20 5 BDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106547 586592675 /nfs/dbraw/zinc/59/26/75/586592675.db2.gz DHFPUDQDJMWIET-SECBINFHSA-N 0 3 223.228 1.817 20 5 BDBDHN CCOC1CC(CC(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813106422 586592987 /nfs/dbraw/zinc/59/29/87/586592987.db2.gz CQXLPUZKFLJGHG-XNWIYYODSA-N 0 3 245.275 1.400 20 5 BDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813109810 586593091 /nfs/dbraw/zinc/59/30/91/586593091.db2.gz PFEJMNPBXIMCFD-QMMMGPOBSA-N 0 3 239.227 1.517 20 5 BDBDHN CC(COC(=O)[C@H]1CCC(=O)[C@H](C)C1)[N+](=O)[O-] ZINC000813109877 586593381 /nfs/dbraw/zinc/59/33/81/586593381.db2.gz PVMVBGSMSGAQJT-HLTSFMKQSA-N 0 3 243.259 1.200 20 5 BDBDHN CC(COC(=O)/C=C\c1ccc[nH]1)[N+](=O)[O-] ZINC000813108878 586593393 /nfs/dbraw/zinc/59/33/93/586593393.db2.gz BMDQNSKHGKPSEJ-PULIVWKDSA-N 0 3 224.216 1.236 20 5 BDBDHN CS[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111081 586593455 /nfs/dbraw/zinc/59/34/55/586593455.db2.gz CATMOXGSDLEWGB-RNFRBKRXSA-N 0 3 221.278 1.336 20 5 BDBDHN COCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113016 586593804 /nfs/dbraw/zinc/59/38/04/586593804.db2.gz NWPNPKFFXMWOJV-MRVPVSSYSA-N 0 3 219.237 1.012 20 5 BDBDHN CC(C)c1ocnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113896 586593948 /nfs/dbraw/zinc/59/39/48/586593948.db2.gz VXVDAUIHHANOEG-SSDOTTSWSA-N 0 3 242.231 1.620 20 5 BDBDHN Cc1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112553 586593971 /nfs/dbraw/zinc/59/39/71/586593971.db2.gz IEGIPVHSYJOGQV-RXMQYKEDSA-N 0 3 230.245 1.274 20 5 BDBDHN CC[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])O1 ZINC000813114396 586594063 /nfs/dbraw/zinc/59/40/63/586594063.db2.gz ANSOSPVDEQZDJT-DJLDLDEBSA-N 0 3 231.248 1.152 20 5 BDBDHN Cc1ccc([C@H](C)C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813114670 586594151 /nfs/dbraw/zinc/59/41/51/586594151.db2.gz FOCNVAFJOSIEHX-CBAPKCEASA-N 0 3 241.243 1.900 20 5 BDBDHN Cc1noc(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114287 586594181 /nfs/dbraw/zinc/59/41/81/586594181.db2.gz OSYYNVMKNKWLDS-LURJTMIESA-N 0 3 242.231 1.042 20 5 BDBDHN CC(COC(=O)[C@@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114940 586594201 /nfs/dbraw/zinc/59/42/01/586594201.db2.gz YDLJRTVRFRRNHL-IWSPIJDZSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)[C@@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114938 586594287 /nfs/dbraw/zinc/59/42/87/586594287.db2.gz YDLJRTVRFRRNHL-DJLDLDEBSA-N 0 3 231.248 1.010 20 5 BDBDHN CCC[C@@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453311 587802828 /nfs/dbraw/zinc/80/28/28/587802828.db2.gz ADWDKJUWNISSCZ-JGVFFNPUSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC1(C)C)[N+](=O)[O-] ZINC000851037551 588582502 /nfs/dbraw/zinc/58/25/02/588582502.db2.gz WKXRRUOGTYOXPT-SFYZADRCSA-N 0 3 215.249 1.631 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC1(C)C)[N+](=O)[O-] ZINC000851037552 588582654 /nfs/dbraw/zinc/58/26/54/588582654.db2.gz WKXRRUOGTYOXPT-YUMQZZPRSA-N 0 3 215.249 1.631 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)cc1 ZINC000865937240 589469388 /nfs/dbraw/zinc/46/93/88/589469388.db2.gz MZVSFPTXTVGEFP-UHFFFAOYSA-N 0 3 247.298 1.879 20 5 BDBDHN CC(COC(=O)c1ncc2ccccn21)[N+](=O)[O-] ZINC000870376206 589661077 /nfs/dbraw/zinc/66/10/77/589661077.db2.gz CZSQOTDBPSISFE-MRVPVSSYSA-N 0 3 249.226 1.156 20 5 BDBDHN COCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006945 589979308 /nfs/dbraw/zinc/97/93/08/589979308.db2.gz DBBIZXOYCREGCY-UHFFFAOYSA-N 0 3 238.287 1.948 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882367507 591339111 /nfs/dbraw/zinc/33/91/11/591339111.db2.gz OKYIIYVHTTYKRW-ZETCQYMHSA-N 0 3 242.254 1.491 20 5 BDBDHN CC1(C)C[C@@H](NCC[N+](=O)[O-])C(C)(C)O1 ZINC000309118786 631890941 /nfs/dbraw/zinc/89/09/41/631890941.db2.gz MRTYWSDYAHZPPT-MRVPVSSYSA-N 0 3 216.281 1.199 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1Cc2ccccc21 ZINC000905053175 637569808 /nfs/dbraw/zinc/56/98/08/637569808.db2.gz YVNLBBJTMTWHHC-JTQLQIEISA-N 0 3 206.245 1.193 20 5 BDBDHN O=[N+]([O-])CCNCC1(c2ccccc2)CCC1 ZINC000905031830 637576054 /nfs/dbraw/zinc/57/60/54/637576054.db2.gz XNZUEQUHCRVJLH-UHFFFAOYSA-N 0 3 234.299 1.975 20 5 BDBDHN O=[N+]([O-])CCNCC1(c2cccc(F)c2)CC1 ZINC000905134754 637643350 /nfs/dbraw/zinc/64/33/50/637643350.db2.gz OLDDTNIRHGLWAR-UHFFFAOYSA-N 0 3 238.262 1.724 20 5 BDBDHN O=[N+]([O-])CCNCCCc1cccs1 ZINC000905193959 637671417 /nfs/dbraw/zinc/67/14/17/637671417.db2.gz HPGUWEZOQFZPJL-UHFFFAOYSA-N 0 3 214.290 1.547 20 5 BDBDHN COC1(CNCC[N+](=O)[O-])CCCCC1 ZINC000905219175 637701657 /nfs/dbraw/zinc/70/16/57/637701657.db2.gz KBNXPROGLFKNER-UHFFFAOYSA-N 0 3 216.281 1.202 20 5 BDBDHN Cc1ccccc1[C@@H]1C[C@H]1NCC[N+](=O)[O-] ZINC000905394723 637806849 /nfs/dbraw/zinc/80/68/49/637806849.db2.gz IORRFJJARZYRDG-NWDGAFQWSA-N 0 3 220.272 1.717 20 5 BDBDHN C/C=C\C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931339156 640164979 /nfs/dbraw/zinc/16/49/79/640164979.db2.gz VXLGDTCQLAPIHV-QUCGXOGASA-N 0 3 212.293 1.941 20 5 BDBDHN C[C@@H](O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443411 641147785 /nfs/dbraw/zinc/14/77/85/641147785.db2.gz MGXXWMOZBOGLRV-SSDOTTSWSA-N 0 3 244.678 1.719 20 5 BDBDHN Cc1nn(C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000917730785 642114692 /nfs/dbraw/zinc/11/46/92/642114692.db2.gz BEWRAVFRPGFWCQ-SECBINFHSA-N 0 3 224.264 1.194 20 5 BDBDHN C[C@@H]1CCN(CC[N+](=O)[O-])CC12CCC2 ZINC000930170966 646472525 /nfs/dbraw/zinc/47/25/25/646472525.db2.gz KFFRRYMMWHBBGM-SNVBAGLBSA-N 0 3 212.293 1.775 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009669 969334844 /nfs/dbraw/zinc/33/48/44/969334844.db2.gz XCIULFPSKWZYKC-KXNHARMFSA-N 0 3 242.319 1.541 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(C(F)F)C2)C1 ZINC001169053551 969372237 /nfs/dbraw/zinc/37/22/37/969372237.db2.gz ILKFFDHXSIYKIT-APPZFPTMSA-N 0 3 234.246 1.629 20 5 BDBDHN CC(C)C[C@@H]1OCCC[C@H]1NCC[N+](=O)[O-] ZINC001334722963 976603894 /nfs/dbraw/zinc/60/38/94/976603894.db2.gz GHJFZVFHRORWCU-MNOVXSKESA-N 0 3 230.308 1.446 20 5 BDBDHN CC(=O)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167630233 959138055 /nfs/dbraw/zinc/13/80/55/959138055.db2.gz GWJHLUWSZVLMBK-UHFFFAOYSA-N 0 3 235.243 1.199 20 5 BDBDHN N=CNc1cccc2ncc([N+](=O)[O-])n21 ZINC001167871897 961384524 /nfs/dbraw/zinc/38/45/24/961384524.db2.gz YCSQIFJLDITJAZ-UHFFFAOYSA-N 0 3 205.177 1.261 20 5 BDBDHN CN1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709232 963310846 /nfs/dbraw/zinc/31/08/46/963310846.db2.gz GOSGQUHOBRUBRR-VIFPVBQESA-N 0 3 223.232 1.073 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)N)n1 ZINC001158345418 963850349 /nfs/dbraw/zinc/85/03/49/963850349.db2.gz MPQZISJHAQOWPR-MRVPVSSYSA-N 0 3 247.258 1.504 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@H](F)C2)C1 ZINC001169027416 969345750 /nfs/dbraw/zinc/34/57/50/969345750.db2.gz PKHSMTMEKVCVOP-OUAUKWLOSA-N 0 3 230.283 1.866 20 5 BDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1COC1 ZINC001254533474 969734298 /nfs/dbraw/zinc/73/42/98/969734298.db2.gz LIHWIZJQDUDGPH-SECBINFHSA-N 0 3 236.271 1.514 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC1)C2 ZINC001254597839 969744925 /nfs/dbraw/zinc/74/49/25/969744925.db2.gz IAGXLSNCFVXRJK-GFCCVEGCSA-N 0 3 218.256 1.768 20 5 BDBDHN CC(COC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[N+](=O)[O-] ZINC001346123894 980761072 /nfs/dbraw/zinc/76/10/72/980761072.db2.gz PQUSCYVHPNFVBR-OVFHJWECSA-N 0 3 239.271 1.487 20 5 BDBDHN CC(COC(=O)C[C@@H]1CC=CCC1)[N+](=O)[O-] ZINC001123042967 990496680 /nfs/dbraw/zinc/49/66/80/990496680.db2.gz UVTQREKDKCVIRT-VHSXEESVSA-N 0 3 227.260 1.941 20 5 BDBDHN Cc1cc(NC(=O)C2(N)CC2)cc([N+](=O)[O-])c1 ZINC001263329506 993233472 /nfs/dbraw/zinc/23/34/72/993233472.db2.gz HRHHVXDCUFYKOS-UHFFFAOYSA-N 0 3 235.243 1.333 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)CO ZINC000289562147 178271052 /nfs/dbraw/zinc/27/10/52/178271052.db2.gz YSOKSONKGSUJEP-SNVBAGLBSA-N 0 3 238.287 1.716 20 5 BDBDHN C[C@@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054232 398242491 /nfs/dbraw/zinc/24/24/91/398242491.db2.gz IPKMLUAXCNABQG-YUMQZZPRSA-N 0 3 239.275 1.208 20 5 BDBDHN CC[C@@H](N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926578 342855652 /nfs/dbraw/zinc/85/56/52/342855652.db2.gz FLLLOSOMGXDDFU-SNVBAGLBSA-N 0 3 247.258 1.585 20 5 BDBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C1CC1 ZINC000602760758 349733588 /nfs/dbraw/zinc/73/35/88/349733588.db2.gz BDVFPYHHOWGPNN-UHFFFAOYSA-N 0 3 238.291 1.584 20 5 BDBDHN C[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000096811431 343903914 /nfs/dbraw/zinc/90/39/14/343903914.db2.gz YSAAKFAWSIHZRR-SECBINFHSA-N 0 3 224.260 1.455 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCC[C@@H]32)c1 ZINC000610762459 344151297 /nfs/dbraw/zinc/15/12/97/344151297.db2.gz GLKRWAYKZXWIPK-KOLCDFICSA-N 0 3 236.275 1.276 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](CO)C2)cc1 ZINC000601140061 346344343 /nfs/dbraw/zinc/34/43/43/346344343.db2.gz QJAFRSGDONIISO-PHIMTYICSA-N 0 3 236.271 1.455 20 5 BDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000593103789 347858749 /nfs/dbraw/zinc/85/87/49/347858749.db2.gz PFBGJJWIZRUHME-MRVPVSSYSA-N 0 3 240.307 1.853 20 5 BDBDHN O=[N+]([O-])c1ccc(CN2CCC3(COC3)C2)cc1 ZINC000595836105 348370156 /nfs/dbraw/zinc/37/01/56/348370156.db2.gz ZSCPKOZHTXRHIX-UHFFFAOYSA-N 0 3 248.282 1.817 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCC2COC2)cc1 ZINC000599012812 349076493 /nfs/dbraw/zinc/07/64/93/349076493.db2.gz WHTFFBRIYDGBRO-UHFFFAOYSA-N 0 3 222.244 1.331 20 5 BDBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386911857 363061560 /nfs/dbraw/zinc/06/15/60/363061560.db2.gz QCDSLFCLSMTTCH-BXKDBHETSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035602257 358002431 /nfs/dbraw/zinc/00/24/31/358002431.db2.gz CALNQSQJIUGOOX-IUCAKERBSA-N 0 3 224.260 1.626 20 5 BDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CC3)C2)nc1 ZINC000044725699 358553011 /nfs/dbraw/zinc/55/30/11/358553011.db2.gz XGNZUXYPUDEJKG-QMMMGPOBSA-N 0 3 249.274 1.033 20 5 BDBDHN CC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926305 358801987 /nfs/dbraw/zinc/80/19/87/358801987.db2.gz UYCMSXHNORCJJE-LLVKDONJSA-N 0 3 224.260 1.455 20 5 BDBDHN C[C@@H]1C[C@@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000548424527 325455781 /nfs/dbraw/zinc/45/57/81/325455781.db2.gz QRRCGLYSPTUMNG-RKDXNWHRSA-N 0 3 224.264 1.274 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCCO ZINC000573386153 364821994 /nfs/dbraw/zinc/82/19/94/364821994.db2.gz UNGQXYOBEWDSJE-NSHDSACASA-N 0 3 236.271 1.554 20 5 BDBDHN CC[C@@H](O)CCNCc1csc([N+](=O)[O-])c1 ZINC000131703071 371654335 /nfs/dbraw/zinc/65/43/35/371654335.db2.gz DDPKAQPEUDDWBQ-SECBINFHSA-N 0 3 244.316 1.907 20 5 BDBDHN CCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603743641 371925250 /nfs/dbraw/zinc/92/52/50/371925250.db2.gz MXTLSCIHURHVRV-MRVPVSSYSA-N 0 3 237.259 1.531 20 5 BDBDHN CCCN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010707 169197811 /nfs/dbraw/zinc/19/78/11/169197811.db2.gz RIVDQNPEFPKMAT-JTQLQIEISA-N 0 3 238.291 1.838 20 5 BDBDHN C[C@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000096811755 383942846 /nfs/dbraw/zinc/94/28/46/383942846.db2.gz DICYFSJERUWRQZ-SECBINFHSA-N 0 3 224.260 1.455 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCCCO)c(F)c1 ZINC000336718814 384256898 /nfs/dbraw/zinc/25/68/98/384256898.db2.gz REOMKULKEQKMNE-UHFFFAOYSA-N 0 3 242.250 1.596 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCn2ccnc2)cc1 ZINC000044290004 384573003 /nfs/dbraw/zinc/57/30/03/384573003.db2.gz GWRRMZDCNBVNFE-UHFFFAOYSA-N 0 3 246.270 1.581 20 5 BDBDHN CCN(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000049937513 384578052 /nfs/dbraw/zinc/57/80/52/384578052.db2.gz WTCSGQWCAHQBCF-UHFFFAOYSA-N 0 3 224.264 1.353 20 5 BDBDHN Cc1ccc(CNCCN2CCC2)cc1[N+](=O)[O-] ZINC000344833205 386195160 /nfs/dbraw/zinc/19/51/60/386195160.db2.gz DKZFFDWMYKXSOA-UHFFFAOYSA-N 0 3 249.314 1.699 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C)c1 ZINC000087150665 386697383 /nfs/dbraw/zinc/69/73/83/386697383.db2.gz FGYJAOLVZHKNMY-UHFFFAOYSA-N 0 3 223.276 1.877 20 5 BDBDHN C[C@@H](NC(=O)C1(N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000088130258 386839579 /nfs/dbraw/zinc/83/95/79/386839579.db2.gz LLIDKPGAMPFXSS-MRVPVSSYSA-N 0 3 249.270 1.263 20 5 BDBDHN Cc1ccc([C@H](C)NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000035601516 387373619 /nfs/dbraw/zinc/37/36/19/387373619.db2.gz MVGJGGWDRYAATG-ZJUUUORDSA-N 0 3 238.287 1.935 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ccccc1[N+](=O)[O-] ZINC000130603842 388404870 /nfs/dbraw/zinc/40/48/70/388404870.db2.gz PTZIZFNTHOKHMQ-VIFPVBQESA-N 0 3 223.276 1.957 20 5 BDBDHN C[C@@H]1C[C@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000548424525 388536714 /nfs/dbraw/zinc/53/67/14/388536714.db2.gz QRRCGLYSPTUMNG-DTORHVGOSA-N 0 3 224.264 1.274 20 5 BDBDHN CC[C@H](O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000124354541 388746719 /nfs/dbraw/zinc/74/67/19/388746719.db2.gz IBPRRRRZRXXNHY-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN2C3CCC2CC3)n1 ZINC000530665506 388715287 /nfs/dbraw/zinc/71/52/87/388715287.db2.gz ZQRZWLCAKUFNNI-UHFFFAOYSA-N 0 3 236.275 1.418 20 5 BDBDHN CC[C@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000070710448 388731454 /nfs/dbraw/zinc/73/14/54/388731454.db2.gz NKWOAZRJUZJDKN-SNVBAGLBSA-N 0 3 244.316 1.907 20 5 BDBDHN C[C@H]1CNCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000054374954 132233689 /nfs/dbraw/zinc/23/36/89/132233689.db2.gz PFQRJZSXRTZUIU-QMMMGPOBSA-N 0 3 239.250 1.532 20 5 BDBDHN CN1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000042544920 173122993 /nfs/dbraw/zinc/12/29/93/173122993.db2.gz UNRRJIPOJXDNMZ-LLVKDONJSA-N 0 3 235.287 1.389 20 5 BDBDHN C[C@@H]1[C@@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000293520258 177255448 /nfs/dbraw/zinc/25/54/48/177255448.db2.gz VZJITJKRYKSLIC-DTWKUNHWSA-N 0 3 224.264 1.132 20 5 BDBDHN CS[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111079 586593601 /nfs/dbraw/zinc/59/36/01/586593601.db2.gz CATMOXGSDLEWGB-BQBZGAKWSA-N 0 3 221.278 1.336 20 5 BDBDHN CC(COC(=O)C1CCSCC1)[N+](=O)[O-] ZINC000813110611 586593687 /nfs/dbraw/zinc/59/36/87/586593687.db2.gz FPVGFNFYIOZVIZ-ZETCQYMHSA-N 0 3 233.289 1.338 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CO ZINC000129338884 324938523 /nfs/dbraw/zinc/93/85/23/324938523.db2.gz DTOFQDJCRMCDLW-NXEZZACHSA-N 0 3 238.287 1.935 20 5 BDBDHN CC(COC(=O)c1cccc(Cl)n1)[N+](=O)[O-] ZINC000813107908 582584897 /nfs/dbraw/zinc/58/48/97/582584897.db2.gz RNQKANXYUSRVEV-LURJTMIESA-N 0 3 244.634 1.557 20 5 BDBDHN CCOC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813113949 582590567 /nfs/dbraw/zinc/59/05/67/582590567.db2.gz WWIWOPQGEQUPQT-SECBINFHSA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)c1cncc2[nH]ccc21)[N+](=O)[O-] ZINC000893045069 583036357 /nfs/dbraw/zinc/03/63/57/583036357.db2.gz PDQASQNCUMOJMH-SSDOTTSWSA-N 0 3 249.226 1.385 20 5 BDBDHN Cn1cc(CN[C@H]2CCC2(C)C)c([N+](=O)[O-])n1 ZINC000877521647 583322878 /nfs/dbraw/zinc/32/28/78/583322878.db2.gz GBNGILONLGUSJP-VIFPVBQESA-N 0 3 238.291 1.607 20 5 BDBDHN CCCc1[nH]ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000817738832 584989750 /nfs/dbraw/zinc/98/97/50/584989750.db2.gz CLCCQXLFBLGDLK-QMMMGPOBSA-N 0 3 240.259 1.789 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])oc1C ZINC000813102878 586592006 /nfs/dbraw/zinc/59/20/06/586592006.db2.gz KVORSSXGZNRXBV-SSDOTTSWSA-N 0 3 227.216 1.718 20 5 BDBDHN CC(COC(=O)/C=C/c1ccco1)[N+](=O)[O-] ZINC000813103170 586592030 /nfs/dbraw/zinc/59/20/30/586592030.db2.gz APFBKCDYOPNFPX-WTSVBCDHSA-N 0 3 225.200 1.501 20 5 BDBDHN CC(COC(=O)C[C@@H]1C=CCC1)[N+](=O)[O-] ZINC000813101511 586592138 /nfs/dbraw/zinc/59/21/38/586592138.db2.gz CEILSLILODCVRL-DTWKUNHWSA-N 0 3 213.233 1.551 20 5 BDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102684 586592190 /nfs/dbraw/zinc/59/21/90/586592190.db2.gz ITSDWNZXLCBBGZ-MRVPVSSYSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)[C@@H]1CC1(C)C)[N+](=O)[O-] ZINC000813105287 586592442 /nfs/dbraw/zinc/59/24/42/586592442.db2.gz XMHJKAYONHPQRD-BQBZGAKWSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(COC(=O)CCC(F)(F)F)[N+](=O)[O-] ZINC000813103998 586592500 /nfs/dbraw/zinc/59/25/00/586592500.db2.gz VWDCAMQIOXWWBP-RXMQYKEDSA-N 0 3 229.154 1.537 20 5 BDBDHN CC(C)SCC(=O)OCC(C)[N+](=O)[O-] ZINC000813105024 586592538 /nfs/dbraw/zinc/59/25/38/586592538.db2.gz UBLSDKXPLXMBBT-ZETCQYMHSA-N 0 3 221.278 1.336 20 5 BDBDHN COCCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108007 586592908 /nfs/dbraw/zinc/59/29/08/586592908.db2.gz SWYVCLOEKXADOW-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)c1cccc2c1CCC2)[N+](=O)[O-] ZINC000813108031 586592943 /nfs/dbraw/zinc/59/29/43/586592943.db2.gz UEZKJQKARPGZEP-SECBINFHSA-N 0 3 249.266 1.997 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109622 586593031 /nfs/dbraw/zinc/59/30/31/586593031.db2.gz NHHJWLNCGCUHGO-MRVPVSSYSA-N 0 3 224.216 1.212 20 5 BDBDHN COC1(CC(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813108150 586593287 /nfs/dbraw/zinc/59/32/87/586593287.db2.gz BHFYWHMZVZUTGF-QMMMGPOBSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)CC1CCC1)[N+](=O)[O-] ZINC000813110077 586593387 /nfs/dbraw/zinc/59/33/87/586593387.db2.gz RWAMDZOUIFQOIJ-SSDOTTSWSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)/C=C/c1cccs1)[N+](=O)[O-] ZINC000813110904 586593549 /nfs/dbraw/zinc/59/35/49/586593549.db2.gz LRBMCLLGAXHYGM-ZJELKQJVSA-N 0 3 241.268 1.970 20 5 BDBDHN CC(COC(=O)COC1CCCC1)[N+](=O)[O-] ZINC000813111552 586593627 /nfs/dbraw/zinc/59/36/27/586593627.db2.gz UPOUWOPDJWDLNL-QMMMGPOBSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)CCc1cscn1)[N+](=O)[O-] ZINC000813112305 586593712 /nfs/dbraw/zinc/59/37/12/586593712.db2.gz PEFDENZGLVIBKR-ZETCQYMHSA-N 0 3 244.272 1.284 20 5 BDBDHN CC(COC(=O)[C@]1(C)CCCOC1)[N+](=O)[O-] ZINC000813113825 586593846 /nfs/dbraw/zinc/59/38/46/586593846.db2.gz JRVBNXQEXZBAGN-PSASIEDQSA-N 0 3 231.248 1.012 20 5 BDBDHN Cc1sccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813113303 586593986 /nfs/dbraw/zinc/59/39/86/586593986.db2.gz PHMZQGQMZCQSRI-SSDOTTSWSA-N 0 3 243.284 1.807 20 5 BDBDHN CC(COC(=O)C[C@H]1CCC(=O)[C@H]1C)[N+](=O)[O-] ZINC000813112795 586593995 /nfs/dbraw/zinc/59/39/95/586593995.db2.gz LIMCTUKOGPSZHO-XHNCKOQMSA-N 0 3 243.259 1.200 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813112602 586594187 /nfs/dbraw/zinc/59/41/87/586594187.db2.gz JIHBBCYZSORJSF-ZETCQYMHSA-N 0 3 243.284 1.807 20 5 BDBDHN CC/C=C(\C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115719 586594364 /nfs/dbraw/zinc/59/43/64/586594364.db2.gz YPZRZODHEMGADK-WVXIBAHESA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)CCc1cncs1)[N+](=O)[O-] ZINC000816091454 586707528 /nfs/dbraw/zinc/70/75/28/586707528.db2.gz XRUIYQQQQFKPHP-ZETCQYMHSA-N 0 3 244.272 1.284 20 5 BDBDHN CO[C@@H]1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000816090989 586707578 /nfs/dbraw/zinc/70/75/78/586707578.db2.gz GVRQWZVIQWIRPC-IVZWLZJFSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C(F)=C1CCC1)[N+](=O)[O-] ZINC000821166655 587100041 /nfs/dbraw/zinc/10/00/41/587100041.db2.gz FVGLLAZITFESGO-LURJTMIESA-N 0 3 217.196 1.602 20 5 BDBDHN CC(COC(=O)C1SCCS1)[N+](=O)[O-] ZINC000842363424 588021543 /nfs/dbraw/zinc/02/15/43/588021543.db2.gz IOMBLMNYBNXBPZ-RXMQYKEDSA-N 0 3 237.302 1.001 20 5 BDBDHN CC(COC(=O)C[C@@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577249 588233948 /nfs/dbraw/zinc/23/39/48/588233948.db2.gz QZSWKPBNJDMWII-RKDXNWHRSA-N 0 3 241.247 1.043 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCCO ZINC000873007681 589978801 /nfs/dbraw/zinc/97/88/01/589978801.db2.gz ZQOXWVVHGXCITA-UHFFFAOYSA-N 0 3 238.287 1.684 20 5 BDBDHN CC(COC(=O)C1(C)CC(F)(F)C1)[N+](=O)[O-] ZINC000873533473 590054553 /nfs/dbraw/zinc/05/45/53/590054553.db2.gz ZZLDYTASGBPFSB-ZCFIWIBFSA-N 0 3 237.202 1.630 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2C[C@H]21 ZINC000878318459 590544148 /nfs/dbraw/zinc/54/41/48/590544148.db2.gz ZIIVLZGXBLZJAZ-VHSXEESVSA-N 0 3 236.275 1.194 20 5 BDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]2C[C@H]2C1 ZINC000886284363 592200322 /nfs/dbraw/zinc/20/03/22/592200322.db2.gz UYROSZOWKIKOGD-ONGXEEELSA-N 0 3 233.271 1.832 20 5 BDBDHN C[C@H](O)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443410 631914359 /nfs/dbraw/zinc/91/43/59/631914359.db2.gz MGXXWMOZBOGLRV-ZETCQYMHSA-N 0 3 244.678 1.719 20 5 BDBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CC2)cs1 ZINC000309484179 632419378 /nfs/dbraw/zinc/41/93/78/632419378.db2.gz FPGIHFMACGQRBC-VIFPVBQESA-N 0 3 242.300 1.517 20 5 BDBDHN O=[N+]([O-])CCNCCc1cc(F)cc(F)c1 ZINC000905078715 637580533 /nfs/dbraw/zinc/58/05/33/637580533.db2.gz BJVQRDRQGXEVTC-UHFFFAOYSA-N 0 3 230.214 1.374 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc2c(c1)CCO2 ZINC000905116321 637622035 /nfs/dbraw/zinc/62/20/35/637622035.db2.gz BEVGXJXISGPECT-UHFFFAOYSA-N 0 3 236.271 1.030 20 5 BDBDHN Cc1noc(C)c1[C@H](C)CNCC[N+](=O)[O-] ZINC000905180393 637663817 /nfs/dbraw/zinc/66/38/17/637663817.db2.gz PSZMGKMJLPUQKX-SSDOTTSWSA-N 0 3 227.264 1.261 20 5 BDBDHN CC(C)OC1(CNCC[N+](=O)[O-])CCC1 ZINC000905408606 637799455 /nfs/dbraw/zinc/79/94/55/637799455.db2.gz QNMJDPCYAVCJDA-UHFFFAOYSA-N 0 3 216.281 1.200 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc2ncccc2c1 ZINC000905519328 637844228 /nfs/dbraw/zinc/84/42/28/637844228.db2.gz AMYAVRYBBOSRDI-UHFFFAOYSA-N 0 3 245.282 1.644 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H](OC2CCC2)CC1 ZINC000931536367 640262185 /nfs/dbraw/zinc/26/21/85/640262185.db2.gz JUGNMTOGDWBPON-GFCCVEGCSA-N 0 3 242.319 1.687 20 5 BDBDHN C[C@@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185309694 643289481 /nfs/dbraw/zinc/28/94/81/643289481.db2.gz OSTRXZRFQLKOQT-SSDOTTSWSA-N 0 3 244.678 1.719 20 5 BDBDHN CC(C)CCN(CC[N+](=O)[O-])C1CC1 ZINC000929274752 646055236 /nfs/dbraw/zinc/05/52/36/646055236.db2.gz KVTVDUCLJOJXMK-UHFFFAOYSA-N 0 3 200.282 1.774 20 5 BDBDHN CN(CC[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000929646333 646218911 /nfs/dbraw/zinc/21/89/11/646218911.db2.gz OAGIMLJFNZAWAN-CYBMUJFWSA-N 0 3 234.299 1.752 20 5 BDBDHN CC[C@@]1(C)CCCN(CC[N+](=O)[O-])C1 ZINC000929747472 646281080 /nfs/dbraw/zinc/28/10/80/646281080.db2.gz DCDMZQFWPXPEMT-JTQLQIEISA-N 0 3 200.282 1.775 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000930180843 646481623 /nfs/dbraw/zinc/48/16/23/646481623.db2.gz XWQDZKAAZSFACC-NWDGAFQWSA-N 0 3 242.319 1.402 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000930180846 646482794 /nfs/dbraw/zinc/48/27/94/646482794.db2.gz XWQDZKAAZSFACC-VXGBXAGGSA-N 0 3 242.319 1.402 20 5 BDBDHN CN1CC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000712561994 712445790 /nfs/dbraw/zinc/44/57/90/712445790.db2.gz GOHNCICHDNVAKE-VIFPVBQESA-N 0 3 241.316 1.450 20 5 BDBDHN C[C@@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000719575848 712812036 /nfs/dbraw/zinc/81/20/36/712812036.db2.gz QOUOXKRUYOKRTI-RKDXNWHRSA-N 0 3 236.275 1.494 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009670 969334578 /nfs/dbraw/zinc/33/45/78/969334578.db2.gz XCIULFPSKWZYKC-USZNOCQGSA-N 0 3 242.319 1.541 20 5 BDBDHN C=Cc1c[n-]c(=O)nc1O[C@@H](C)C[N+](C)(C)C ZINC001227718129 975646836 /nfs/dbraw/zinc/64/68/36/975646836.db2.gz PBTMUEYGPBUUEV-VIFPVBQESA-O 0 3 238.311 1.299 20 5 BDBDHN C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983920 975829787 /nfs/dbraw/zinc/82/97/87/975829787.db2.gz WKVUJNMZJBEQTF-MRVPVSSYSA-O 0 3 245.730 1.914 20 5 BDBDHN COC[C@@H](CC(C)(C)C)NCC[N+](=O)[O-] ZINC001335433204 977055345 /nfs/dbraw/zinc/05/53/45/977055345.db2.gz RXQAYBRWZDPDEE-SECBINFHSA-N 0 3 218.297 1.304 20 5 BDBDHN O=[N+]([O-])c1cccc([O-])c1O[C@H]1CC[NH2+]C1 ZINC001218175848 971609157 /nfs/dbraw/zinc/60/91/57/971609157.db2.gz CLBOZXUJXUPYSZ-ZETCQYMHSA-N 0 3 224.216 1.041 20 5 BDBDHN Cc1cc(CN)nn1-c1nccc(C)c1[N+](=O)[O-] ZINC001156038345 963233100 /nfs/dbraw/zinc/23/31/00/963233100.db2.gz NANCDHQHJPDFEH-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011956 969336798 /nfs/dbraw/zinc/33/67/98/969336798.db2.gz NWYPINFWVICIAU-DGORSVRFSA-N 0 3 242.294 1.722 20 5 BDBDHN CC[C@@H]1COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039135 969358603 /nfs/dbraw/zinc/35/86/03/969358603.db2.gz NMWRUSJMLYYSNN-QJPTWQEYSA-N 0 3 242.319 1.543 20 5 BDBDHN Nc1cc(O[C@@H](C[N+](=O)[O-])C2CC2)ccn1 ZINC001226657458 975005897 /nfs/dbraw/zinc/00/58/97/975005897.db2.gz QBICTOXPNYPTMC-VIFPVBQESA-N 0 3 223.232 1.098 20 5 BDBDHN Cc1cc(NC[C@H](C)N(C)C)ncc1[N+](=O)[O-] ZINC000092026847 178169230 /nfs/dbraw/zinc/16/92/30/178169230.db2.gz WRTVOLWAJQJCNE-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN Cc1ccc(NC(=O)C2(N)CCC2)cc1[N+](=O)[O-] ZINC000147501607 398344893 /nfs/dbraw/zinc/34/48/93/398344893.db2.gz FFMTWXRUZYGVTP-UHFFFAOYSA-N 0 3 249.270 1.723 20 5 BDBDHN C[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000096811430 343903969 /nfs/dbraw/zinc/90/39/69/343903969.db2.gz YSAAKFAWSIHZRR-VIFPVBQESA-N 0 3 224.260 1.455 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCN(C)C ZINC000080684664 344132731 /nfs/dbraw/zinc/13/27/31/344132731.db2.gz HRXFCRURXDOEMV-UHFFFAOYSA-N 0 3 238.291 1.296 20 5 BDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000080685026 345431051 /nfs/dbraw/zinc/43/10/51/345431051.db2.gz UIRKDWWOOZQLJT-UHFFFAOYSA-N 0 3 241.266 1.732 20 5 BDBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000083662422 537918863 /nfs/dbraw/zinc/91/88/63/537918863.db2.gz LTEFNGVSHYTJNX-VIFPVBQESA-N 0 3 238.287 1.844 20 5 BDBDHN CN(C)CCNc1ccccc1[N+](=O)[O-] ZINC000005389662 346205692 /nfs/dbraw/zinc/20/56/92/346205692.db2.gz JSNWIWQOIKRWAK-UHFFFAOYSA-N 0 3 209.249 1.568 20 5 BDBDHN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)cn1 ZINC000591434642 347660098 /nfs/dbraw/zinc/66/00/98/347660098.db2.gz HNQTWNBKMGQGRY-AOOOYVTPSA-N 0 3 248.286 1.321 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CC[C@H]1O ZINC000594514737 348062037 /nfs/dbraw/zinc/06/20/37/348062037.db2.gz ANUQFKAGNCYCAR-NQBHXWOUSA-N 0 3 248.282 1.695 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC/C=C\CO ZINC000595071630 348188915 /nfs/dbraw/zinc/18/89/15/348188915.db2.gz POZBBLOBZZAZCP-UDSFMNFJSA-N 0 3 248.282 1.720 20 5 BDBDHN CCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603743643 350020905 /nfs/dbraw/zinc/02/09/05/350020905.db2.gz MXTLSCIHURHVRV-QMMMGPOBSA-N 0 3 237.259 1.531 20 5 BDBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000413185636 191362666 /nfs/dbraw/zinc/36/26/66/191362666.db2.gz QUXPRZLMVHCBIH-UHFFFAOYSA-N 0 3 242.254 1.127 20 5 BDBDHN C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000035602415 358002535 /nfs/dbraw/zinc/00/25/35/358002535.db2.gz HOJXSEBLAMHWCO-QMMMGPOBSA-N 0 3 210.233 1.065 20 5 BDBDHN C[C@H](CN(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000130256242 358985322 /nfs/dbraw/zinc/98/53/22/358985322.db2.gz FSGFOQIWTKSXQP-MRVPVSSYSA-N 0 3 243.332 1.696 20 5 BDBDHN Cc1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000224485147 359759772 /nfs/dbraw/zinc/75/97/72/359759772.db2.gz UWBKJMYXWTURBH-UHFFFAOYSA-N 0 3 237.303 1.901 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1CC1 ZINC000037386745 363830588 /nfs/dbraw/zinc/83/05/88/363830588.db2.gz YGWUPQDPOYAQEK-UHFFFAOYSA-N 0 3 249.270 1.594 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H]2O)cc1 ZINC000037690266 364525957 /nfs/dbraw/zinc/52/59/57/364525957.db2.gz WWIDOUAELGFRGW-RYUDHWBXSA-N 0 3 236.271 1.598 20 5 BDBDHN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000602474814 371809937 /nfs/dbraw/zinc/80/99/37/371809937.db2.gz SIBAHBXRVVPUEU-IUCAKERBSA-N 0 3 238.291 1.416 20 5 BDBDHN C[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1C ZINC000602474813 371810504 /nfs/dbraw/zinc/81/05/04/371810504.db2.gz SIBAHBXRVVPUEU-DTORHVGOSA-N 0 3 238.291 1.416 20 5 BDBDHN CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965728 371859250 /nfs/dbraw/zinc/85/92/50/371859250.db2.gz MSFARAVMJBBIGF-LLVKDONJSA-N 0 3 224.260 1.412 20 5 BDBDHN C[C@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000134181192 372173928 /nfs/dbraw/zinc/17/39/28/372173928.db2.gz YJBHGOXMACEMHL-SKDRFNHKSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCCCO)cc1 ZINC000040537881 373460574 /nfs/dbraw/zinc/46/05/74/373460574.db2.gz ZQRGLXOKEPWAQV-UHFFFAOYSA-N 0 3 224.260 1.457 20 5 BDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176205180 384467184 /nfs/dbraw/zinc/46/71/84/384467184.db2.gz VLPUTTWGTANTMG-UHFFFAOYSA-N 0 3 224.264 1.276 20 5 BDBDHN CN(CCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000264012678 384514956 /nfs/dbraw/zinc/51/49/56/384514956.db2.gz SURLTPGUFAPQKB-UHFFFAOYSA-N 0 3 238.287 1.799 20 5 BDBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000342789613 385904638 /nfs/dbraw/zinc/90/46/38/385904638.db2.gz RFHJULKUIQVYIP-UHFFFAOYSA-N 0 3 248.286 1.086 20 5 BDBDHN C[C@@H](NC[C@H](C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000086624248 386094271 /nfs/dbraw/zinc/09/42/71/386094271.db2.gz IQVDQVZOUDOEIE-VHSXEESVSA-N 0 3 238.287 1.874 20 5 BDBDHN C[C@@H](NC[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608925 386820839 /nfs/dbraw/zinc/82/08/39/386820839.db2.gz DQFUQXMCIMVINP-JGVFFNPUSA-N 0 3 239.275 1.208 20 5 BDBDHN C[C@@H](CN(C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000168602643 387540831 /nfs/dbraw/zinc/54/08/31/387540831.db2.gz DRJOPYDOZDSAOL-JTQLQIEISA-N 0 3 237.303 1.635 20 5 BDBDHN O=[N+]([O-])c1ccccc1N1CCN2CCC1CC2 ZINC000302778048 388345332 /nfs/dbraw/zinc/34/53/32/388345332.db2.gz PQYZLIIYRCDJJB-UHFFFAOYSA-N 0 3 247.298 1.879 20 5 BDBDHN C[C@@H](NCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358341510 388398712 /nfs/dbraw/zinc/39/87/12/388398712.db2.gz OGKHQDNVVDUYSJ-LLVKDONJSA-N 0 3 249.314 1.951 20 5 BDBDHN CCN(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692313 388472007 /nfs/dbraw/zinc/47/20/07/388472007.db2.gz SSQJZNKKKJOZKX-UHFFFAOYSA-N 0 3 238.291 1.662 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1N ZINC000424083432 388694443 /nfs/dbraw/zinc/69/44/43/388694443.db2.gz XKNHGHYZCJEFJN-BDAKNGLRSA-N 0 3 235.243 1.189 20 5 BDBDHN Cc1ccc(CN(C)CCCO)cc1[N+](=O)[O-] ZINC000281636551 388806275 /nfs/dbraw/zinc/80/62/75/388806275.db2.gz ADUCPMWSQDJRNN-UHFFFAOYSA-N 0 3 238.287 1.717 20 5 BDBDHN CC[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000125386685 388783451 /nfs/dbraw/zinc/78/34/51/388783451.db2.gz WGAMDUGPCJIJKR-JTQLQIEISA-N 0 3 238.291 1.523 20 5 BDBDHN Cc1cc(N2CCN[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026668 132237953 /nfs/dbraw/zinc/23/79/53/132237953.db2.gz YHZMFWHTRUUUHE-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN Cc1cc(N2CCNC[C@H]2C)ccc1[N+](=O)[O-] ZINC000054374908 132364424 /nfs/dbraw/zinc/36/44/24/132364424.db2.gz NOIPOSNAVACITB-SNVBAGLBSA-N 0 3 235.287 1.701 20 5 BDBDHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000227526388 134383020 /nfs/dbraw/zinc/38/30/20/134383020.db2.gz YLLWKTPLRDWJFV-JTQLQIEISA-N 0 3 236.275 1.496 20 5 BDBDHN CC[C@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000077453212 135392103 /nfs/dbraw/zinc/39/21/03/135392103.db2.gz NHJSNQMFFVATSP-LLVKDONJSA-N 0 3 238.287 1.845 20 5 BDBDHN CC[C@@H](NCCO)c1cccc([N+](=O)[O-])c1 ZINC000036721158 170895262 /nfs/dbraw/zinc/89/52/62/170895262.db2.gz JAEHXEKUQWZVQO-LLVKDONJSA-N 0 3 224.260 1.628 20 5 BDBDHN COCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282477737 174278513 /nfs/dbraw/zinc/27/85/13/174278513.db2.gz OKLKILIXHCECCH-UHFFFAOYSA-N 0 3 238.287 1.716 20 5 BDBDHN C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189292 177100524 /nfs/dbraw/zinc/10/05/24/177100524.db2.gz UQKMZKCCQUJFPL-JTQLQIEISA-N 0 3 238.291 1.523 20 5 BDBDHN C[C@H]1CN(C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994427 177238820 /nfs/dbraw/zinc/23/88/20/177238820.db2.gz MXAOSDZOTDJREW-CMPLNLGQSA-N 0 3 249.314 1.635 20 5 BDBDHN CC(C)COCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813111033 586593685 /nfs/dbraw/zinc/59/36/85/586593685.db2.gz ARVNIVBZAPPUCF-VIFPVBQESA-N 0 3 233.264 1.258 20 5 BDBDHN C[C@H](O)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000051821452 488049173 /nfs/dbraw/zinc/04/91/73/488049173.db2.gz FLIQYCGFKNAEKV-VIFPVBQESA-N 0 3 224.260 1.407 20 5 BDBDHN CC(COC(=O)[C@@H]1CC12CCCC2)[N+](=O)[O-] ZINC000813102709 582581046 /nfs/dbraw/zinc/58/10/46/582581046.db2.gz JFVNDFCUWUOPHT-IUCAKERBSA-N 0 3 227.260 1.775 20 5 BDBDHN CSCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107145 582582341 /nfs/dbraw/zinc/58/23/41/582582341.db2.gz KQOQZYSOHUXQRW-QMMMGPOBSA-N 0 3 235.305 1.728 20 5 BDBDHN CC(COC(=O)CC[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813108580 582585979 /nfs/dbraw/zinc/58/59/79/582585979.db2.gz ZYPSAMARKPHJJN-NXEZZACHSA-N 0 3 245.275 1.544 20 5 BDBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(CC)CC ZINC000813115120 582591917 /nfs/dbraw/zinc/59/19/17/582591917.db2.gz KURSRBWXOFGJMP-ZJUUUORDSA-N 0 3 246.307 1.315 20 5 BDBDHN CC(COC(=O)C[C@@H](C)n1cccc1)[N+](=O)[O-] ZINC000813114491 582591937 /nfs/dbraw/zinc/59/19/37/582591937.db2.gz CKGZQGJHQDAOLG-ZJUUUORDSA-N 0 3 240.259 1.648 20 5 BDBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112364 582589744 /nfs/dbraw/zinc/58/97/44/582589744.db2.gz GBQBOJUGQKNQMQ-MRVPVSSYSA-N 0 3 239.227 1.517 20 5 BDBDHN CC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114087 582591383 /nfs/dbraw/zinc/59/13/83/582591383.db2.gz YPXKLDBBMOJZAK-SFYZADRCSA-N 0 3 203.238 1.631 20 5 BDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000893936443 583252835 /nfs/dbraw/zinc/25/28/35/583252835.db2.gz WYYPIFHNUXAZAM-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN COc1cccc(CCNCC[N+](=O)[O-])c1 ZINC000899870269 584244490 /nfs/dbraw/zinc/24/44/90/584244490.db2.gz HIYXMDJSWNIBEG-UHFFFAOYSA-N 0 3 224.260 1.104 20 5 BDBDHN O=[N+]([O-])CCNCCC1CCCCC1 ZINC000899869619 584244502 /nfs/dbraw/zinc/24/45/02/584244502.db2.gz HPJOQBRZJGCIOO-UHFFFAOYSA-N 0 3 200.282 1.823 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCCc2ccccc21 ZINC000899865429 584245466 /nfs/dbraw/zinc/24/54/66/584245466.db2.gz HVAMLTUPDONHMW-LBPRGKRZSA-N 0 3 234.299 1.973 20 5 BDBDHN CC(C)[C@@H]1N(CC[N+](=O)[O-])CC12CCOCC2 ZINC000899887740 584247111 /nfs/dbraw/zinc/24/71/11/584247111.db2.gz FVLJMBJYAMCWHP-NSHDSACASA-N 0 3 242.319 1.400 20 5 BDBDHN Cn1cc(CCNCC[N+](=O)[O-])c2ccccc21 ZINC000899894071 584248821 /nfs/dbraw/zinc/24/88/21/584248821.db2.gz ZQAIKIHLNSLEFC-UHFFFAOYSA-N 0 3 247.298 1.587 20 5 BDBDHN COc1cc([C@H](C)NCCO)cc([N+](=O)[O-])c1 ZINC000903058989 584723025 /nfs/dbraw/zinc/72/30/25/584723025.db2.gz LPLYXYWWQTUBES-QMMMGPOBSA-N 0 3 240.259 1.246 20 5 BDBDHN CC(COC(=O)[C@H](C)C1CCC1)[N+](=O)[O-] ZINC000838965553 585082568 /nfs/dbraw/zinc/08/25/68/585082568.db2.gz SUWKARDQYVMTAD-HTQZYQBOSA-N 0 3 215.249 1.631 20 5 BDBDHN CC(COC(=O)c1cc[nH]c1C1CC1)[N+](=O)[O-] ZINC000813102304 586591923 /nfs/dbraw/zinc/59/19/23/586591923.db2.gz DQYYBVHEBWTKGU-ZETCQYMHSA-N 0 3 238.243 1.714 20 5 BDBDHN CC(COC(=O)C[C@H]1C=CCC1)[N+](=O)[O-] ZINC000813101512 586592014 /nfs/dbraw/zinc/59/20/14/586592014.db2.gz CEILSLILODCVRL-IUCAKERBSA-N 0 3 213.233 1.551 20 5 BDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102685 586592087 /nfs/dbraw/zinc/59/20/87/586592087.db2.gz ITSDWNZXLCBBGZ-QMMMGPOBSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCSC1)[N+](=O)[O-] ZINC000813102059 586592144 /nfs/dbraw/zinc/59/21/44/586592144.db2.gz AKDBUAULSWZIIS-JGVFFNPUSA-N 0 3 233.289 1.338 20 5 BDBDHN CC(C)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103815 586592267 /nfs/dbraw/zinc/59/22/67/586592267.db2.gz UNAZEOPMSSCRAF-IUCAKERBSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)/C=C1/CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813105594 586592269 /nfs/dbraw/zinc/59/22/69/586592269.db2.gz PWAMLXSYWVFRGG-MNTZLAJPSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCOCC1)[N+](=O)[O-] ZINC000813103748 586592271 /nfs/dbraw/zinc/59/22/71/586592271.db2.gz SFXZSGGZJWJHCE-RKDXNWHRSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(C)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103816 586592352 /nfs/dbraw/zinc/59/23/52/586592352.db2.gz UNAZEOPMSSCRAF-RKDXNWHRSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)/C=C\c1cccnc1)[N+](=O)[O-] ZINC000813105173 586592356 /nfs/dbraw/zinc/59/23/56/586592356.db2.gz KCRRLXSAFVSEKS-WBSSQXGSSA-N 0 3 236.227 1.303 20 5 BDBDHN CC(C)[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105824 586592752 /nfs/dbraw/zinc/59/27/52/586592752.db2.gz VDDQIIAYYNYUGA-XHNCKOQMSA-N 0 3 215.249 1.487 20 5 BDBDHN CC(COC(=O)CCc1ccncc1)[N+](=O)[O-] ZINC000813106949 586592868 /nfs/dbraw/zinc/59/28/68/586592868.db2.gz IPFMHEOLYFCRSX-SECBINFHSA-N 0 3 238.243 1.223 20 5 BDBDHN CC(=O)CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108050 586592884 /nfs/dbraw/zinc/59/28/84/586592884.db2.gz UOCLPEFMPPXWQB-QMMMGPOBSA-N 0 3 245.275 1.590 20 5 BDBDHN CC(COC(=O)C[C@H]1CCCOC1)[N+](=O)[O-] ZINC000813109748 586593133 /nfs/dbraw/zinc/59/31/33/586593133.db2.gz VXRJCBRVONCOCH-RKDXNWHRSA-N 0 3 231.248 1.012 20 5 BDBDHN CCCc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813108356 586593339 /nfs/dbraw/zinc/59/33/39/586593339.db2.gz DTSUUZBRBUPTJM-SSDOTTSWSA-N 0 3 242.231 1.449 20 5 BDBDHN Cc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112022 586593413 /nfs/dbraw/zinc/59/34/13/586593413.db2.gz YMINHFHRPZZWHW-SSDOTTSWSA-N 0 3 229.257 1.879 20 5 BDBDHN CC(COC(=O)COC1CCCC1)[N+](=O)[O-] ZINC000813111551 586593443 /nfs/dbraw/zinc/59/34/43/586593443.db2.gz UPOUWOPDJWDLNL-MRVPVSSYSA-N 0 3 231.248 1.154 20 5 BDBDHN Cc1ccncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110504 586593665 /nfs/dbraw/zinc/59/36/65/586593665.db2.gz CADPIYMWBFBZJZ-QMMMGPOBSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)[C@@H](C)C1CC1)[N+](=O)[O-] ZINC000813111201 586593748 /nfs/dbraw/zinc/59/37/48/586593748.db2.gz QITKZVSJLXETFD-BQBZGAKWSA-N 0 3 201.222 1.241 20 5 BDBDHN CC[C@@H]1CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])O1 ZINC000813114397 586593802 /nfs/dbraw/zinc/59/38/02/586593802.db2.gz ANSOSPVDEQZDJT-HLTSFMKQSA-N 0 3 231.248 1.152 20 5 BDBDHN CC(COC(=O)c1cccs1)[N+](=O)[O-] ZINC000813112459 586593806 /nfs/dbraw/zinc/59/38/06/586593806.db2.gz QEEIAKWERHFZAH-LURJTMIESA-N 0 3 215.230 1.570 20 5 BDBDHN CC(COC(=O)C[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813112755 586593820 /nfs/dbraw/zinc/59/38/20/586593820.db2.gz KLGOYAZXLFHIFV-RKDXNWHRSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)CC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813113858 586594097 /nfs/dbraw/zinc/59/40/97/586594097.db2.gz JYFNGOLPEVFMLX-DTWKUNHWSA-N 0 3 231.248 1.154 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ns1 ZINC000813113433 586594103 /nfs/dbraw/zinc/59/41/03/586594103.db2.gz PUSBXFAUESUEDS-YFKPBYRVSA-N 0 3 230.245 1.274 20 5 BDBDHN CC(C)c1ocnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113897 586594131 /nfs/dbraw/zinc/59/41/31/586594131.db2.gz VXVDAUIHHANOEG-ZETCQYMHSA-N 0 3 242.231 1.620 20 5 BDBDHN CC(C)OCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112910 586594164 /nfs/dbraw/zinc/59/41/64/586594164.db2.gz WFPGRJBKURJLFA-VIFPVBQESA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)C(C)(C)C(C)(F)F)[N+](=O)[O-] ZINC000835455030 587802997 /nfs/dbraw/zinc/80/29/97/587802997.db2.gz MATUGEMZZHTRCZ-LURJTMIESA-N 0 3 239.218 1.876 20 5 BDBDHN CC(COC(=O)c1ccc(F)s1)[N+](=O)[O-] ZINC000851037546 588585875 /nfs/dbraw/zinc/58/58/75/588585875.db2.gz WGZWATMUAPMUEL-YFKPBYRVSA-N 0 3 233.220 1.709 20 5 BDBDHN C/C=C/CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582647 589301689 /nfs/dbraw/zinc/30/16/89/589301689.db2.gz PXMUOHDSXVPIIL-JDGPPOGSSA-N 0 3 236.271 1.794 20 5 BDBDHN CC(COC(=O)c1ncc2ccccn21)[N+](=O)[O-] ZINC000870376207 589660988 /nfs/dbraw/zinc/66/09/88/589660988.db2.gz CZSQOTDBPSISFE-QMMMGPOBSA-N 0 3 249.226 1.156 20 5 BDBDHN CCOC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000870378815 589661401 /nfs/dbraw/zinc/66/14/01/589661401.db2.gz XTWXXTJUYDTXHC-ZETCQYMHSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@H]1[C@H]1C[C@H]1C)[N+](=O)[O-] ZINC000870378842 589661403 /nfs/dbraw/zinc/66/14/03/589661403.db2.gz YCGLGAQRGXEGFC-ZJDVBMNYSA-N 0 3 227.260 1.487 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccccc1Cl ZINC000905066443 637600155 /nfs/dbraw/zinc/60/01/55/637600155.db2.gz QXRJSHCBGYCYSF-UHFFFAOYSA-N 0 3 228.679 1.749 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCOc2ccccc21 ZINC000905101309 637611984 /nfs/dbraw/zinc/61/19/84/637611984.db2.gz JHWPFNOBRNHSKL-JTQLQIEISA-N 0 3 236.271 1.419 20 5 BDBDHN O=[N+]([O-])CCNC1Cc2ccccc2C1 ZINC000905214803 637699672 /nfs/dbraw/zinc/69/96/72/637699672.db2.gz XITUSBWXEWRIRY-UHFFFAOYSA-N 0 3 206.245 1.020 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCN1Cc1ccccc1 ZINC000905383067 637783881 /nfs/dbraw/zinc/78/38/81/637783881.db2.gz RGQFXWFFQZRAAS-ZDUSSCGKSA-N 0 3 249.314 1.127 20 5 BDBDHN CO[C@H](CNCC[N+](=O)[O-])C1CCCC1 ZINC000905382834 637784915 /nfs/dbraw/zinc/78/49/15/637784915.db2.gz RMKQICQQAKELTL-SNVBAGLBSA-N 0 3 216.281 1.058 20 5 BDBDHN CCC[C@H](CNCC[N+](=O)[O-])OCC ZINC000905391498 637787004 /nfs/dbraw/zinc/78/70/04/637787004.db2.gz VCNAGPUBFPGYBC-SECBINFHSA-N 0 3 204.270 1.058 20 5 BDBDHN CC(C)[C@]1(C)C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107053 643395171 /nfs/dbraw/zinc/39/51/71/643395171.db2.gz LEPAXVLXRCKJCY-YWVKMMECSA-N 0 3 229.276 1.877 20 5 BDBDHN Cc1ccn(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115578 643414094 /nfs/dbraw/zinc/41/40/94/643414094.db2.gz VUTARCPMNWIKQM-QMMMGPOBSA-N 0 3 226.232 1.156 20 5 BDBDHN CC[C@@H](CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000083370118 643440874 /nfs/dbraw/zinc/44/08/74/643440874.db2.gz YWCNZVDYTBQJBG-JTQLQIEISA-N 0 3 242.250 1.594 20 5 BDBDHN CCS[C@@H]1CC[C@@H](N(C)CC[N+](=O)[O-])C1 ZINC000929749388 646280696 /nfs/dbraw/zinc/28/06/96/646280696.db2.gz KNQFJTJPOICINE-NXEZZACHSA-N 0 3 232.349 1.869 20 5 BDBDHN C[C@@H](c1ccccc1)[C@H](CO)NCC[N+](=O)[O-] ZINC001335222812 976889076 /nfs/dbraw/zinc/88/90/76/976889076.db2.gz SCWMLWKWMZLFDG-JQWIXIFHSA-N 0 3 238.287 1.017 20 5 BDBDHN O=C1CC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001167340942 957796738 /nfs/dbraw/zinc/79/67/38/957796738.db2.gz MQFKLGMKDKOICV-UHFFFAOYSA-N 0 3 247.254 1.341 20 5 BDBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154910256 962896336 /nfs/dbraw/zinc/89/63/36/962896336.db2.gz ZGIABGFCPDACSY-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H](C)O1 ZINC001169009672 969334364 /nfs/dbraw/zinc/33/43/64/969334364.db2.gz XCIULFPSKWZYKC-WISYIIOYSA-N 0 3 242.319 1.541 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2Cc3cccnc3C2)C1 ZINC001169007724 969336069 /nfs/dbraw/zinc/33/60/69/969336069.db2.gz PUSXYNLPTYRKHN-JQWIXIFHSA-N 0 3 247.298 1.843 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@H](F)C2)C1 ZINC001169027417 969345069 /nfs/dbraw/zinc/34/50/69/969345069.db2.gz PKHSMTMEKVCVOP-VWYCJHECSA-N 0 3 230.283 1.866 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042459 969361615 /nfs/dbraw/zinc/36/16/15/969361615.db2.gz DOSKTSLADQMSIV-WHOHXGKFSA-N 0 3 242.319 1.541 20 5 BDBDHN CN(Cc1ccno1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046892 969363887 /nfs/dbraw/zinc/36/38/87/969363887.db2.gz OFOZNKKQHSOUPC-UWVGGRQHSA-N 0 3 239.275 1.552 20 5 BDBDHN C[C@@H](N)c1ccn(-c2cccnc2[N+](=O)[O-])n1 ZINC001169231277 969511155 /nfs/dbraw/zinc/51/11/55/969511155.db2.gz HDAIBAABNZKCFW-SSDOTTSWSA-N 0 3 233.231 1.195 20 5 BDBDHN C/C(=C/c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714163 982868873 /nfs/dbraw/zinc/86/88/73/982868873.db2.gz LSYFBIUEIFOTMR-JGAIRUGNSA-N 0 3 239.227 1.891 20 5 BDBDHN O=[N+]([O-])CCN1CCCC[C@@]12CCCOC2 ZINC001460980641 985979385 /nfs/dbraw/zinc/97/93/85/985979385.db2.gz SQZLSUVRQHSADB-NSHDSACASA-N 0 3 228.292 1.298 20 5 BDBDHN C[C@@H](NC(=O)C1(N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122166051 990274345 /nfs/dbraw/zinc/27/43/45/990274345.db2.gz GLGYPDZEUZYMDR-MRVPVSSYSA-N 0 3 249.270 1.263 20 5 BDBDHN Cc1cc(NC[C@@H](C)N(C)C)ncc1[N+](=O)[O-] ZINC000092026846 178164513 /nfs/dbraw/zinc/16/45/13/178164513.db2.gz WRTVOLWAJQJCNE-SECBINFHSA-N 0 3 238.291 1.660 20 5 BDBDHN CN1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000037267616 361801529 /nfs/dbraw/zinc/80/15/29/361801529.db2.gz FVLGCBPSDWFMRZ-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C1 ZINC000183271788 178271292 /nfs/dbraw/zinc/27/12/92/178271292.db2.gz KWCXPWJJFVVADO-LBPRGKRZSA-N 0 3 236.271 1.470 20 5 BDBDHN Cc1ccc(CN(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000130830197 398283167 /nfs/dbraw/zinc/28/31/67/398283167.db2.gz IFXHZLBLIOEGBD-SNVBAGLBSA-N 0 3 238.287 1.716 20 5 BDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)nc1 ZINC000044411770 345058864 /nfs/dbraw/zinc/05/88/64/345058864.db2.gz DSHXXWCDRQAAOL-VIFPVBQESA-N 0 3 248.286 1.638 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)cc1 ZINC000147490369 345710945 /nfs/dbraw/zinc/71/09/45/345710945.db2.gz YOOPBQGBDWNRRJ-UHFFFAOYSA-N 0 3 247.298 1.879 20 5 BDBDHN Cc1cccc(NCCN(C)C)c1[N+](=O)[O-] ZINC000218823048 179144838 /nfs/dbraw/zinc/14/48/38/179144838.db2.gz VVSIJHPETPVRDP-UHFFFAOYSA-N 0 3 223.276 1.877 20 5 BDBDHN CN1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000590719032 347501008 /nfs/dbraw/zinc/50/10/08/347501008.db2.gz BYRKYKIFJWAQHO-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN C[C@H](NC/C=C/CO)c1cccc([N+](=O)[O-])c1 ZINC000595073203 348188819 /nfs/dbraw/zinc/18/88/19/348188819.db2.gz SZXGTYPUNLCOHV-PBKGFPTLSA-N 0 3 236.271 1.794 20 5 BDBDHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595101328 348195151 /nfs/dbraw/zinc/19/51/51/348195151.db2.gz DJWIBYWHJNJKNF-HLUHBDAQSA-N 0 3 236.271 1.769 20 5 BDBDHN C[NH+](C)CCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596157018 348453466 /nfs/dbraw/zinc/45/34/66/348453466.db2.gz WPFIBLSBIVHQSZ-UHFFFAOYSA-N 0 3 243.288 1.349 20 5 BDBDHN Cc1cc(N(C)CC2CN(C)C2)ccc1[N+](=O)[O-] ZINC000596452791 348551969 /nfs/dbraw/zinc/55/19/69/348551969.db2.gz GLQXSWSXMRRCBF-UHFFFAOYSA-N 0 3 249.314 1.901 20 5 BDBDHN CN[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000052395597 350994873 /nfs/dbraw/zinc/99/48/73/350994873.db2.gz STVKLMYSDKDCGC-QMMMGPOBSA-N 0 3 237.259 1.450 20 5 BDBDHN CN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052395572 350995007 /nfs/dbraw/zinc/99/50/07/350995007.db2.gz YEIKBYSGLWAZQG-QMMMGPOBSA-N 0 3 237.259 1.450 20 5 BDBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000386898600 363059011 /nfs/dbraw/zinc/05/90/11/363059011.db2.gz OKQWXDAODNTXJF-BXKDBHETSA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC2)c1 ZINC000062351289 188128839 /nfs/dbraw/zinc/12/88/39/188128839.db2.gz SBBQLVKQWHPQGY-LBPRGKRZSA-N 0 3 236.271 1.724 20 5 BDBDHN CCN(C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413077366 191354189 /nfs/dbraw/zinc/35/41/89/191354189.db2.gz AORFRIMTQUJUSM-UHFFFAOYSA-N 0 3 242.254 1.493 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@H]1O ZINC000050015795 358710429 /nfs/dbraw/zinc/71/04/29/358710429.db2.gz KIJRJZWBTILLGU-CMPLNLGQSA-N 0 3 236.271 1.598 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCCO ZINC000020188468 371242009 /nfs/dbraw/zinc/24/20/09/371242009.db2.gz NYJMJEYOVYKXCO-UHFFFAOYSA-N 0 3 210.233 1.067 20 5 BDBDHN CC(C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000050015705 383888118 /nfs/dbraw/zinc/88/81/18/383888118.db2.gz NOGPSFCWNNCUJE-UHFFFAOYSA-N 0 3 224.260 1.455 20 5 BDBDHN C[C@@H](CO)CNCc1ccccc1[N+](=O)[O-] ZINC000082367486 384212731 /nfs/dbraw/zinc/21/27/31/384212731.db2.gz VQNIVVMOCASEBC-SECBINFHSA-N 0 3 224.260 1.313 20 5 BDBDHN CC[C@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000125774895 385012302 /nfs/dbraw/zinc/01/23/02/385012302.db2.gz XFTOYDHOYRLBLT-SECBINFHSA-N 0 3 244.316 1.907 20 5 BDBDHN C[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727298 385148015 /nfs/dbraw/zinc/14/80/15/385148015.db2.gz JMAZAGNDJFBCLQ-SNVBAGLBSA-N 0 3 238.287 1.450 20 5 BDBDHN CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000052395576 385732318 /nfs/dbraw/zinc/73/23/18/385732318.db2.gz JWWCGLFWIADHEU-QMMMGPOBSA-N 0 3 237.259 1.450 20 5 BDBDHN Cc1ccc([C@@H](C)NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000035601515 387374225 /nfs/dbraw/zinc/37/42/25/387374225.db2.gz MVGJGGWDRYAATG-NXEZZACHSA-N 0 3 238.287 1.935 20 5 BDBDHN CN(C)C1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000270930944 388369163 /nfs/dbraw/zinc/36/91/63/388369163.db2.gz YAYCMVCOOZYWAJ-UHFFFAOYSA-N 0 3 239.250 1.484 20 5 BDBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000123226024 388637758 /nfs/dbraw/zinc/63/77/58/388637758.db2.gz SVCOHLUHENLJET-NXEZZACHSA-N 0 3 238.287 1.701 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CO ZINC000127574506 388726733 /nfs/dbraw/zinc/72/67/33/388726733.db2.gz DTOFQDJCRMCDLW-VHSXEESVSA-N 0 3 238.287 1.935 20 5 BDBDHN O=[N+]([O-])c1cc(CNCCCCO)cs1 ZINC000193282140 388843156 /nfs/dbraw/zinc/84/31/56/388843156.db2.gz IMALPIDHJBVYND-UHFFFAOYSA-N 0 3 230.289 1.518 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1N1CCNCC1 ZINC000125533335 132229161 /nfs/dbraw/zinc/22/91/61/132229161.db2.gz YJRBUOUZNXKSOY-UHFFFAOYSA-N 0 3 221.260 1.313 20 5 BDBDHN Cc1cnc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691883 132237034 /nfs/dbraw/zinc/23/70/34/132237034.db2.gz XSOATDUXRMOTIE-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN C[C@@H]1CN[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000034871773 132268658 /nfs/dbraw/zinc/26/86/58/132268658.db2.gz IBYRCGPBLYCJMO-DTWKUNHWSA-N 0 3 236.275 1.176 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCNCC2)c1 ZINC000087149390 132311330 /nfs/dbraw/zinc/31/13/30/132311330.db2.gz ZOAMWVVRMZMLRR-UHFFFAOYSA-N 0 3 221.260 1.313 20 5 BDBDHN C[C@H](O)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000087128196 135501979 /nfs/dbraw/zinc/50/19/79/135501979.db2.gz BGPZNFGADQKDAO-IUCAKERBSA-N 0 3 224.260 1.454 20 5 BDBDHN Cc1cnc(OCCN(C)C)c([N+](=O)[O-])c1 ZINC000176708217 398005636 /nfs/dbraw/zinc/00/56/36/398005636.db2.gz SNBQBPYHJFCDHM-UHFFFAOYSA-N 0 3 225.248 1.239 20 5 BDBDHN CC1=CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000280814091 168099251 /nfs/dbraw/zinc/09/92/51/168099251.db2.gz MOUXESFTBFGSCM-UHFFFAOYSA-N 0 3 236.275 1.443 20 5 BDBDHN COCCCNCc1csc([N+](=O)[O-])c1 ZINC000037472330 174248466 /nfs/dbraw/zinc/24/84/66/174248466.db2.gz WIJMPZUXMQYYPH-UHFFFAOYSA-N 0 3 230.289 1.782 20 5 BDBDHN C[C@H](NCCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000036746777 176840202 /nfs/dbraw/zinc/84/02/02/176840202.db2.gz XTZAOTHISBMZEK-QMMMGPOBSA-N 0 3 237.259 1.121 20 5 BDBDHN CCOCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102109 586592061 /nfs/dbraw/zinc/59/20/61/586592061.db2.gz BFMYZPRBLIIWJE-MRVPVSSYSA-N 0 3 219.237 1.012 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)O ZINC000131173416 323012663 /nfs/dbraw/zinc/01/26/63/323012663.db2.gz DMXKFJXSNALMOW-VHSXEESVSA-N 0 3 238.287 1.935 20 5 BDBDHN CC(COC(=O)c1ccc2cncn2c1)[N+](=O)[O-] ZINC000813104585 582580858 /nfs/dbraw/zinc/58/08/58/582580858.db2.gz FAKFLFRNYKURCZ-MRVPVSSYSA-N 0 3 249.226 1.156 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813110754 582588310 /nfs/dbraw/zinc/58/83/10/582588310.db2.gz ITCVMQALGIIMLX-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN COC[C@H](C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112987 582590164 /nfs/dbraw/zinc/59/01/64/582590164.db2.gz NCSNUWSUXFGSDE-XHNCKOQMSA-N 0 3 233.264 1.113 20 5 BDBDHN CCCCSCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113345 582590192 /nfs/dbraw/zinc/59/01/92/582590192.db2.gz ZBOZQMWQASROJZ-QMMMGPOBSA-N 0 3 235.305 1.728 20 5 BDBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813113514 582590815 /nfs/dbraw/zinc/59/08/15/582590815.db2.gz FDGFWKZGFPPJHN-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(CC)CC ZINC000813115118 582592047 /nfs/dbraw/zinc/59/20/47/582592047.db2.gz KURSRBWXOFGJMP-UWVGGRQHSA-N 0 3 246.307 1.315 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COCO2)cc1 ZINC000894872080 583540127 /nfs/dbraw/zinc/54/01/27/583540127.db2.gz XODNGRQBQGXAKX-LLVKDONJSA-N 0 3 238.243 1.057 20 5 BDBDHN COc1cc([C@@H](C)NCCO)cc([N+](=O)[O-])c1 ZINC000903058988 584722851 /nfs/dbraw/zinc/72/28/51/584722851.db2.gz LPLYXYWWQTUBES-MRVPVSSYSA-N 0 3 240.259 1.246 20 5 BDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3C[C@@H]32)c1 ZINC000761098939 585409249 /nfs/dbraw/zinc/40/92/49/585409249.db2.gz XEANUIGTBHDPDN-JIMOISOXSA-N 0 3 248.282 1.722 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H]1Cc1ccccc1 ZINC000791054805 585972973 /nfs/dbraw/zinc/97/29/73/585972973.db2.gz YHLDIROACVUDDD-ZDUSSCGKSA-N 0 3 234.299 1.970 20 5 BDBDHN CC(COC(=O)c1cc(C2CC2)[nH]n1)[N+](=O)[O-] ZINC000813103094 586591883 /nfs/dbraw/zinc/59/18/83/586591883.db2.gz NNKAUSHLEOBWAG-ZCFIWIBFSA-N 0 3 239.231 1.109 20 5 BDBDHN CC[C@H](C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102640 586592032 /nfs/dbraw/zinc/59/20/32/586592032.db2.gz HVYUGQLNSPBRCO-DJLDLDEBSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(=O)CC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102074 586592216 /nfs/dbraw/zinc/59/22/16/586592216.db2.gz ANJQPIVPMZWHEX-MRVPVSSYSA-N 0 3 245.275 1.590 20 5 BDBDHN CC(C)CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102464 586592222 /nfs/dbraw/zinc/59/22/22/586592222.db2.gz FUEZXMPAAUCRMY-RKDXNWHRSA-N 0 3 233.264 1.256 20 5 BDBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813105524 586592255 /nfs/dbraw/zinc/59/22/55/586592255.db2.gz NXSKIVVPZWBRJD-ZETCQYMHSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)/C=C\c1cccnc1)[N+](=O)[O-] ZINC000813105177 586592284 /nfs/dbraw/zinc/59/22/84/586592284.db2.gz KCRRLXSAFVSEKS-XRVBUDJMSA-N 0 3 236.227 1.303 20 5 BDBDHN Cc1coc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105221 586592422 /nfs/dbraw/zinc/59/24/22/586592422.db2.gz WWLFLFYWYLPIAJ-SSDOTTSWSA-N 0 3 227.216 1.718 20 5 BDBDHN COc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107865 586592810 /nfs/dbraw/zinc/59/28/10/586592810.db2.gz YBLNKRCVQLLWLQ-LURJTMIESA-N 0 3 245.256 1.579 20 5 BDBDHN CC(COC(=O)[C@@H](C)C1CCOCC1)[N+](=O)[O-] ZINC000813109701 586593129 /nfs/dbraw/zinc/59/31/29/586593129.db2.gz NZWHXQBXPHQQQP-BDAKNGLRSA-N 0 3 245.275 1.258 20 5 BDBDHN Cc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813109612 586593307 /nfs/dbraw/zinc/59/33/07/586593307.db2.gz NFBKGRVTQJESQJ-RXMQYKEDSA-N 0 3 230.245 1.274 20 5 BDBDHN CC(C)[C@H](F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110439 586593447 /nfs/dbraw/zinc/59/34/47/586593447.db2.gz ARKXHXDVEBKQLZ-RQJHMYQMSA-N 0 3 207.201 1.189 20 5 BDBDHN CCc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112062 586593589 /nfs/dbraw/zinc/59/35/89/586593589.db2.gz ZBBAZDBYHPHRBV-QMMMGPOBSA-N 0 3 238.243 1.466 20 5 BDBDHN CC(COC(=O)C1(F)CCCC1)[N+](=O)[O-] ZINC000813110356 586593701 /nfs/dbraw/zinc/59/37/01/586593701.db2.gz YNAPVYWBHJGLJE-SSDOTTSWSA-N 0 3 219.212 1.477 20 5 BDBDHN Cc1cscc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111098 586593718 /nfs/dbraw/zinc/59/37/18/586593718.db2.gz CKPLVQLTGWEVEJ-ZETCQYMHSA-N 0 3 229.257 1.879 20 5 BDBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])ccn1C ZINC000813114250 586593828 /nfs/dbraw/zinc/59/38/28/586593828.db2.gz OJIPPUPAKZUVMZ-MRVPVSSYSA-N 0 3 240.259 1.410 20 5 BDBDHN CC(COC(=O)CCCOC(C)(C)C)[N+](=O)[O-] ZINC000813113597 586593950 /nfs/dbraw/zinc/59/39/50/586593950.db2.gz GTSGEYHBAPNJRL-SECBINFHSA-N 0 3 247.291 1.790 20 5 BDBDHN CC(COC(=O)CCC1CCC1)[N+](=O)[O-] ZINC000813114307 586593984 /nfs/dbraw/zinc/59/39/84/586593984.db2.gz PIHFPJGGJVFKRI-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(C)c1[nH]ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000845577009 588233892 /nfs/dbraw/zinc/23/38/92/588233892.db2.gz QBNABBBCUWYAEA-QMMMGPOBSA-N 0 3 240.259 1.960 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccco1)[N+](=O)[O-] ZINC000860777598 589119471 /nfs/dbraw/zinc/11/94/71/589119471.db2.gz QXTBKJHOUDKMLH-IWSPIJDZSA-N 0 3 239.227 1.592 20 5 BDBDHN CCn1ccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000873533179 590054513 /nfs/dbraw/zinc/05/45/13/590054513.db2.gz UBBNFUGJLIFIHY-MRVPVSSYSA-N 0 3 240.259 1.638 20 5 BDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2C[C@@H]2C1 ZINC000886332463 592211114 /nfs/dbraw/zinc/21/11/14/592211114.db2.gz UQCHAZNSBUKCTK-PHIMTYICSA-N 0 3 248.282 1.925 20 5 BDBDHN C[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000124215316 592717109 /nfs/dbraw/zinc/71/71/09/592717109.db2.gz XWMYBZZAXJVECF-QMMMGPOBSA-N 0 3 247.258 1.254 20 5 BDBDHN O=[N+]([O-])CCNCCSC(F)(F)F ZINC000905051823 637569543 /nfs/dbraw/zinc/56/95/43/637569543.db2.gz XDVSFBHNLLYDNY-UHFFFAOYSA-N 0 3 218.200 1.106 20 5 BDBDHN O=[N+]([O-])CCNC1CC(c2ccccc2)C1 ZINC000905097112 637634537 /nfs/dbraw/zinc/63/45/37/637634537.db2.gz LEFDLBXPLWBBNN-UHFFFAOYSA-N 0 3 220.272 1.799 20 5 BDBDHN Cc1cc(F)ccc1CCNCC[N+](=O)[O-] ZINC000905157754 637639538 /nfs/dbraw/zinc/63/95/38/637639538.db2.gz AYLUPRPQDFWHOA-UHFFFAOYSA-N 0 3 226.251 1.543 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])OCC1CC1 ZINC000905286897 637740234 /nfs/dbraw/zinc/74/02/34/637740234.db2.gz TVFYLUUPOPLPNU-UHFFFAOYSA-N 0 3 216.281 1.058 20 5 BDBDHN C[C@H](c1ccccc1)[C@@H](O)CNCC[N+](=O)[O-] ZINC000905380512 637782901 /nfs/dbraw/zinc/78/29/01/637782901.db2.gz GMLQADIXUSRELZ-PWSUYJOCSA-N 0 3 238.287 1.017 20 5 BDBDHN CC1(C)[C@@H](CNCC[N+](=O)[O-])C1(F)F ZINC000905375143 637794195 /nfs/dbraw/zinc/79/41/95/637794195.db2.gz XGIVZAFLXFKRKB-ZCFIWIBFSA-N 0 3 208.208 1.144 20 5 BDBDHN CC[C@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905415906 637802598 /nfs/dbraw/zinc/80/25/98/637802598.db2.gz TZJOMKUQJRSVHB-NWDGAFQWSA-N 0 3 238.287 1.365 20 5 BDBDHN CCO[C@@H]1CCCC[C@H]1NCC[N+](=O)[O-] ZINC000930664291 639853219 /nfs/dbraw/zinc/85/32/19/639853219.db2.gz HAZXDNJCHOCGGF-NXEZZACHSA-N 0 3 216.281 1.200 20 5 BDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCCO ZINC000050443417 641149444 /nfs/dbraw/zinc/14/94/44/641149444.db2.gz HMBXBGJMMWZTDT-UHFFFAOYSA-N 0 3 244.678 1.720 20 5 BDBDHN CCc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813115399 643414461 /nfs/dbraw/zinc/41/44/61/643414461.db2.gz QWKYRFGTWIVVEA-LURJTMIESA-N 0 3 244.272 1.528 20 5 BDBDHN CC1(C)CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008013 969333479 /nfs/dbraw/zinc/33/34/79/969333479.db2.gz QOWIVCVPTMKNEY-QWRGUYRKSA-N 0 3 242.319 1.543 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)C1 ZINC001169011955 969337870 /nfs/dbraw/zinc/33/78/70/969337870.db2.gz NWYPINFWVICIAU-CSYMLDBXSA-N 0 3 242.294 1.722 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N(C2CC2)C2COC2)C1 ZINC001169035734 969351836 /nfs/dbraw/zinc/35/18/36/969351836.db2.gz LMMPZQVQSASCHN-GXSJLCMTSA-N 0 3 240.303 1.295 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035866 969358877 /nfs/dbraw/zinc/35/88/77/969358877.db2.gz DOSKTSLADQMSIV-WYUUTHIRSA-N 0 3 242.319 1.541 20 5 BDBDHN CC(=O)[C@@H]1CCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052511 969368944 /nfs/dbraw/zinc/36/89/44/969368944.db2.gz GMLXMHRDMXJWCO-UTUOFQBUSA-N 0 3 240.303 1.485 20 5 BDBDHN CC(=O)[C@@H]1CCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169052510 969369697 /nfs/dbraw/zinc/36/96/97/969369697.db2.gz GMLXMHRDMXJWCO-TUAOUCFPSA-N 0 3 240.303 1.485 20 5 BDBDHN Cc1cnc(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169232397 969509040 /nfs/dbraw/zinc/50/90/40/969509040.db2.gz DZKWITONDXIXFB-MRVPVSSYSA-N 0 3 247.258 1.504 20 5 BDBDHN CN1CC[C@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225911799 974725263 /nfs/dbraw/zinc/72/52/63/974725263.db2.gz BWOOZHJTVPZYLR-VIFPVBQESA-N 0 3 240.234 1.817 20 5 BDBDHN Nc1cc(O[C@H](C[N+](=O)[O-])C2CC2)ccn1 ZINC001226657457 975005439 /nfs/dbraw/zinc/00/54/39/975005439.db2.gz QBICTOXPNYPTMC-SECBINFHSA-N 0 3 223.232 1.098 20 5 BDBDHN C[C@H](NCC[N+](=O)[O-])[C@](C)(O)c1ccccc1 ZINC001336819745 977983424 /nfs/dbraw/zinc/98/34/24/977983424.db2.gz GOTOLRUAISXZNZ-JQWIXIFHSA-N 0 3 238.287 1.149 20 5 BDBDHN C[C@@H]1COC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000688052076 985539605 /nfs/dbraw/zinc/53/96/05/985539605.db2.gz ZOHURNPAEGWJJF-BXKDBHETSA-N 0 3 236.271 1.719 20 5 BDBDHN C[C@@H](CNCC[N+](=O)[O-])c1ccccn1 ZINC001120576089 989745693 /nfs/dbraw/zinc/74/56/93/989745693.db2.gz CAGPDUIWRAEBOY-VIFPVBQESA-N 0 3 209.249 1.051 20 5 BDBDHN CCc1ncoc1C(=O)OCC(C)[N+](=O)[O-] ZINC001525760144 990066263 /nfs/dbraw/zinc/06/62/63/990066263.db2.gz VSANZIHIKUODOH-LURJTMIESA-N 0 3 228.204 1.059 20 5 BDBDHN CCC1(CC(=O)OCC(C)[N+](=O)[O-])COC1 ZINC001263502248 993344590 /nfs/dbraw/zinc/34/45/90/993344590.db2.gz NPVLOLICZISTKS-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN C[C@@H](N[C@@H](C)CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285054230 398242456 /nfs/dbraw/zinc/24/24/56/398242456.db2.gz IPKMLUAXCNABQG-JGVFFNPUSA-N 0 3 239.275 1.208 20 5 BDBDHN O=[N+]([O-])c1cccc(CNC2(CO)CCC2)c1 ZINC000133150244 398322674 /nfs/dbraw/zinc/32/26/74/398322674.db2.gz JKTNOOKSNQDYJE-UHFFFAOYSA-N 0 3 236.271 1.599 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCOC2)c1 ZINC000070969277 343579198 /nfs/dbraw/zinc/57/91/98/343579198.db2.gz DMSPAMGLMXXEPH-JTQLQIEISA-N 0 3 222.244 1.473 20 5 BDBDHN C[C@H](CNCc1ccccc1[N+](=O)[O-])N(C)C ZINC000038088056 343942205 /nfs/dbraw/zinc/94/22/05/343942205.db2.gz NRQNILHDCKPZOL-SNVBAGLBSA-N 0 3 237.303 1.635 20 5 BDBDHN CC[C@@H](O)CCNCc1ccccc1[N+](=O)[O-] ZINC000127381269 344250470 /nfs/dbraw/zinc/25/04/70/344250470.db2.gz RNVNOWGPKKCYFX-LLVKDONJSA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1cccc(CCNCc2cn[nH]c2)c1 ZINC000611146434 344265385 /nfs/dbraw/zinc/26/53/85/344265385.db2.gz QGFUSMRSHYIPDS-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN CN(C)CCSCc1cn(C)nc1[N+](=O)[O-] ZINC000603326277 349924109 /nfs/dbraw/zinc/92/41/09/349924109.db2.gz AIYNNFMKMWJJGA-UHFFFAOYSA-N 0 3 244.320 1.123 20 5 BDBDHN C[C@H](O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000136363754 346201170 /nfs/dbraw/zinc/20/11/70/346201170.db2.gz HLDZEFHESYKEKD-UWVGGRQHSA-N 0 3 238.287 1.844 20 5 BDBDHN CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365839616 347195271 /nfs/dbraw/zinc/19/52/71/347195271.db2.gz RZICSKJATPNEAL-UHFFFAOYSA-N 0 3 224.264 1.448 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCOC1 ZINC000594502476 348063903 /nfs/dbraw/zinc/06/39/03/348063903.db2.gz OLHBYKXRMFYIQE-BXKDBHETSA-N 0 3 248.282 1.961 20 5 BDBDHN Cc1nc(NC[C@@H](C)N(C)C)ncc1[N+](=O)[O-] ZINC000296215055 180019051 /nfs/dbraw/zinc/01/90/51/180019051.db2.gz CUPNMCZOWINRGL-SSDOTTSWSA-N 0 3 239.279 1.055 20 5 BDBDHN Cc1nc(N[C@@H](C)CN(C)C)ncc1[N+](=O)[O-] ZINC000295670663 180022978 /nfs/dbraw/zinc/02/29/78/180022978.db2.gz JWOHYKUIXJXJAU-ZETCQYMHSA-N 0 3 239.279 1.055 20 5 BDBDHN Cc1nn(C[C@H](C)N(C)C)c(C)c1[N+](=O)[O-] ZINC000330870396 180390192 /nfs/dbraw/zinc/39/01/92/180390192.db2.gz FRUJFFBSZZWJQI-ZETCQYMHSA-N 0 3 226.280 1.358 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N ZINC000035222877 356418568 /nfs/dbraw/zinc/41/85/68/356418568.db2.gz NVAMXBLGJBHLJR-SSDOTTSWSA-N 0 3 223.232 1.189 20 5 BDBDHN Cc1c(NC(=O)C2(N)CC2)cccc1[N+](=O)[O-] ZINC000088130043 356530111 /nfs/dbraw/zinc/53/01/11/356530111.db2.gz IFBNUTGZXUQYHC-UHFFFAOYSA-N 0 3 235.243 1.333 20 5 BDBDHN O=[N+]([O-])c1cccc(-c2cnn3c2CNCC3)c1 ZINC000675078889 538515793 /nfs/dbraw/zinc/51/57/93/538515793.db2.gz AZWCFCDBCKVXKI-UHFFFAOYSA-N 0 3 244.254 1.562 20 5 BDBDHN C[C@@H](CN(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000168762430 357226055 /nfs/dbraw/zinc/22/60/55/357226055.db2.gz XCWPNUNYIOECPO-JTQLQIEISA-N 0 3 237.303 1.635 20 5 BDBDHN CC[C@@H](O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000124308272 371182154 /nfs/dbraw/zinc/18/21/54/371182154.db2.gz VQDASYJCXFNECX-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1ccc(CCNCc2cn[nH]n2)cc1 ZINC000602717207 371832320 /nfs/dbraw/zinc/83/23/20/371832320.db2.gz YEXKJAKYCGPMBH-UHFFFAOYSA-N 0 3 247.258 1.045 20 5 BDBDHN C[C@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824219 371844650 /nfs/dbraw/zinc/84/46/50/371844650.db2.gz YGSNHVIZDSKLLU-WPRPVWTQSA-N 0 3 238.291 1.607 20 5 BDBDHN CCN(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048346901 384487203 /nfs/dbraw/zinc/48/72/03/384487203.db2.gz KMVXENXSELZDOE-UHFFFAOYSA-N 0 3 238.287 1.452 20 5 BDBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CO)C2)cc1 ZINC000051886750 384699307 /nfs/dbraw/zinc/69/93/07/384699307.db2.gz QVLIVSXSRFNBPM-NSHDSACASA-N 0 3 236.271 1.409 20 5 BDBDHN Cc1cnc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000168979881 385397089 /nfs/dbraw/zinc/39/70/89/385397089.db2.gz LKUPQNCGHIMELQ-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN Cc1ccc(CNC2(CO)CC2)cc1[N+](=O)[O-] ZINC000120391989 385904304 /nfs/dbraw/zinc/90/43/04/385904304.db2.gz JTTQIHLSWKGXQK-UHFFFAOYSA-N 0 3 236.271 1.518 20 5 BDBDHN C[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035115413 387045125 /nfs/dbraw/zinc/04/51/25/387045125.db2.gz NHQNKNHXBZGXPA-BDAKNGLRSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](O)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000228067793 388377715 /nfs/dbraw/zinc/37/77/15/388377715.db2.gz JKGOCBMPQIOHMM-UWVGGRQHSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@H](NCCN1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358341512 388398232 /nfs/dbraw/zinc/39/82/32/388398232.db2.gz OGKHQDNVVDUYSJ-NSHDSACASA-N 0 3 249.314 1.951 20 5 BDBDHN C[C@@]1(O)C[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000418106256 388674977 /nfs/dbraw/zinc/67/49/77/388674977.db2.gz BUXYRSVRYHENJK-KLPPZKSPSA-N 0 3 236.271 1.598 20 5 BDBDHN CC[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000077453800 388675892 /nfs/dbraw/zinc/67/58/92/388675892.db2.gz XGJUSXGPYBDZIQ-LLVKDONJSA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1[C@H]2COC[C@H]21 ZINC000375811548 388720884 /nfs/dbraw/zinc/72/08/84/388720884.db2.gz WNFXZJRWUQNLEY-CNDDSTCGSA-N 0 3 248.282 1.577 20 5 BDBDHN C[C@@H](NCCO)c1ccccc1[N+](=O)[O-] ZINC000020596831 388778676 /nfs/dbraw/zinc/77/86/76/388778676.db2.gz BFDQDPZQUCQCJM-MRVPVSSYSA-N 0 3 210.233 1.238 20 5 BDBDHN C[C@@H](O)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000087129378 135107889 /nfs/dbraw/zinc/10/78/89/135107889.db2.gz PROVGHWHUYXLJI-RKDXNWHRSA-N 0 3 224.260 1.454 20 5 BDBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000339562929 176296657 /nfs/dbraw/zinc/29/66/57/176296657.db2.gz OWZZQFCLJUXDLB-RKDXNWHRSA-N 0 3 224.264 1.132 20 5 BDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157321558 177100584 /nfs/dbraw/zinc/10/05/84/177100584.db2.gz CPSWHYPAHBIAAQ-JTQLQIEISA-N 0 3 238.291 1.523 20 5 BDBDHN C[C@H]1CCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330393788 177126469 /nfs/dbraw/zinc/12/64/69/177126469.db2.gz CGMASFOHXMJEDZ-IUCAKERBSA-N 0 3 238.291 1.607 20 5 BDBDHN CC[C@@H](C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115309 586594432 /nfs/dbraw/zinc/59/44/32/586594432.db2.gz OUDMHIGTULUVPP-JGVFFNPUSA-N 0 3 219.237 1.010 20 5 BDBDHN CO[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000842363421 588021349 /nfs/dbraw/zinc/02/13/49/588021349.db2.gz ILGMWLYVGKJKSH-IUCAKERBSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)CC[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813108582 582585617 /nfs/dbraw/zinc/58/56/17/582585617.db2.gz ZYPSAMARKPHJJN-VHSXEESVSA-N 0 3 245.275 1.544 20 5 BDBDHN CCO[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112216 582589586 /nfs/dbraw/zinc/58/95/86/582589586.db2.gz DIWKLUHVICGWOJ-YUMQZZPRSA-N 0 3 219.237 1.010 20 5 BDBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115602 582592408 /nfs/dbraw/zinc/59/24/08/582592408.db2.gz WCXZLYDOIIKQMW-WVXIBAHESA-N 0 3 213.233 1.551 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCC2(CCCC2)O1 ZINC000899891261 584246237 /nfs/dbraw/zinc/24/62/37/584246237.db2.gz NLIBKROCMUMYAM-SNVBAGLBSA-N 0 3 228.292 1.345 20 5 BDBDHN CC(COC(=O)[C@]1(C)CC=CCC1)[N+](=O)[O-] ZINC000835455201 584926255 /nfs/dbraw/zinc/92/62/55/584926255.db2.gz NCLWCEQRSOGZCY-MWLCHTKSSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)COCC1CCCC1)[N+](=O)[O-] ZINC000835456222 584926438 /nfs/dbraw/zinc/92/64/38/584926438.db2.gz TXYDUIFPEJTKFR-VIFPVBQESA-N 0 3 245.275 1.402 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])oc1C ZINC000813102879 586591847 /nfs/dbraw/zinc/59/18/47/586591847.db2.gz KVORSSXGZNRXBV-ZETCQYMHSA-N 0 3 227.216 1.718 20 5 BDBDHN CC(COC(=O)[C@@H](C)C(C)(C)C)[N+](=O)[O-] ZINC000813103112 586591939 /nfs/dbraw/zinc/59/19/39/586591939.db2.gz OBSSBTPPYOSMOV-JGVFFNPUSA-N 0 3 217.265 1.877 20 5 BDBDHN COCCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101583 586592204 /nfs/dbraw/zinc/59/22/04/586592204.db2.gz DPUMKHDXQKQKET-BDAKNGLRSA-N 0 3 233.264 1.258 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H]1C1CC1)[N+](=O)[O-] ZINC000813102064 586592218 /nfs/dbraw/zinc/59/22/18/586592218.db2.gz ALGLPLQYBUNKMO-VDAHYXPESA-N 0 3 213.233 1.241 20 5 BDBDHN CC(COC(=O)CCc1ccsc1)[N+](=O)[O-] ZINC000813103817 586592300 /nfs/dbraw/zinc/59/23/00/586592300.db2.gz UNTRJEVVUAINNH-MRVPVSSYSA-N 0 3 243.284 1.889 20 5 BDBDHN CC(COC(=O)c1cc(F)ccc1F)[N+](=O)[O-] ZINC000813103736 586592302 /nfs/dbraw/zinc/59/23/02/586592302.db2.gz SABKXVAXCKAJTL-ZCFIWIBFSA-N 0 3 245.181 1.787 20 5 BDBDHN CC(COC(=O)C(C)(C)C(F)F)[N+](=O)[O-] ZINC000813104339 586592316 /nfs/dbraw/zinc/59/23/16/586592316.db2.gz YSSKWJRRPITJFW-YFKPBYRVSA-N 0 3 225.191 1.486 20 5 BDBDHN CC(COC(=O)C1(CCF)CC1)[N+](=O)[O-] ZINC000813104798 586592332 /nfs/dbraw/zinc/59/23/32/586592332.db2.gz HPPACZIRFFWNNS-SSDOTTSWSA-N 0 3 219.212 1.335 20 5 BDBDHN CC(=O)CCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813108049 586592922 /nfs/dbraw/zinc/59/29/22/586592922.db2.gz UOCLPEFMPPXWQB-MRVPVSSYSA-N 0 3 245.275 1.590 20 5 BDBDHN CC(COC(=O)C1(C)CCC1)[N+](=O)[O-] ZINC000813109236 586593039 /nfs/dbraw/zinc/59/30/39/586593039.db2.gz QBYMAGXAKOMKPM-SSDOTTSWSA-N 0 3 201.222 1.385 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000813108744 586593087 /nfs/dbraw/zinc/59/30/87/586593087.db2.gz AFHDQCHAVZVDFQ-MRVPVSSYSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(C)n1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813109552 586593219 /nfs/dbraw/zinc/59/32/19/586593219.db2.gz LKZZOCQTKMLHKL-MRVPVSSYSA-N 0 3 241.247 1.286 20 5 BDBDHN CCC/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813109367 586593269 /nfs/dbraw/zinc/59/32/69/586593269.db2.gz JKYWWHAMXZCQBG-GJIOHYHPSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)Cc1ccsc1)[N+](=O)[O-] ZINC000813112007 586593479 /nfs/dbraw/zinc/59/34/79/586593479.db2.gz YIOUZTQCELYUCU-SSDOTTSWSA-N 0 3 229.257 1.499 20 5 BDBDHN CC(COC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813111795 586593643 /nfs/dbraw/zinc/59/36/43/586593643.db2.gz XLVQPRVLUYHPJU-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])ccn1C ZINC000813110742 586593695 /nfs/dbraw/zinc/59/36/95/586593695.db2.gz IMLDIRUUQDOEKY-ZETCQYMHSA-N 0 3 226.232 1.156 20 5 BDBDHN CC(COC(=O)c1cccc(F)c1F)[N+](=O)[O-] ZINC000813111020 586593790 /nfs/dbraw/zinc/59/37/90/586593790.db2.gz AMCOYBAYDFYLAE-LURJTMIESA-N 0 3 245.181 1.787 20 5 BDBDHN CC(COC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813113778 586593878 /nfs/dbraw/zinc/59/38/78/586593878.db2.gz IONQCDPRXBHYLI-ZETCQYMHSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)CCC1CCC1)[N+](=O)[O-] ZINC000813114306 586593979 /nfs/dbraw/zinc/59/39/79/586593979.db2.gz PIHFPJGGJVFKRI-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)C1(c2ccccc2)CC1)[N+](=O)[O-] ZINC000813113608 586594052 /nfs/dbraw/zinc/59/40/52/586594052.db2.gz HAHBWPKJSLRXLY-JTQLQIEISA-N 0 3 249.266 1.927 20 5 BDBDHN CC(COC(=O)c1conc1C1CC1)[N+](=O)[O-] ZINC000813113311 586594091 /nfs/dbraw/zinc/59/40/91/586594091.db2.gz PNJKGERSBJVKTP-LURJTMIESA-N 0 3 240.215 1.374 20 5 BDBDHN CC(COC(=O)CCC1CC1)[N+](=O)[O-] ZINC000813112895 586594155 /nfs/dbraw/zinc/59/41/55/586594155.db2.gz VZANRMNHKPJCCA-ZETCQYMHSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)[C@H](C)C(C)(F)F)[N+](=O)[O-] ZINC000816091179 586707617 /nfs/dbraw/zinc/70/76/17/586707617.db2.gz NLVMKBGTKFDRNV-WDSKDSINSA-N 0 3 225.191 1.486 20 5 BDBDHN CC(COC(=O)C[C@@H](C)n1cccn1)[N+](=O)[O-] ZINC000821166445 587099364 /nfs/dbraw/zinc/09/93/64/587099364.db2.gz BXHUSTARUPBRFT-RKDXNWHRSA-N 0 3 241.247 1.043 20 5 BDBDHN CC(COC(=O)C[C@@H](C)n1cccn1)[N+](=O)[O-] ZINC000821166440 587099571 /nfs/dbraw/zinc/09/95/71/587099571.db2.gz BXHUSTARUPBRFT-BDAKNGLRSA-N 0 3 241.247 1.043 20 5 BDBDHN COCC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000842363274 588021575 /nfs/dbraw/zinc/02/15/75/588021575.db2.gz DUFYCVWJPGROOJ-QMMMGPOBSA-N 0 3 233.264 1.258 20 5 BDBDHN CC(COC(=O)C1CC2(CCC2)C1)[N+](=O)[O-] ZINC000842801785 588063811 /nfs/dbraw/zinc/06/38/11/588063811.db2.gz LTTKIYFNRFFRMI-QMMMGPOBSA-N 0 3 227.260 1.775 20 5 BDBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CCC1 ZINC000851035918 588585430 /nfs/dbraw/zinc/58/54/30/588585430.db2.gz CJLXIMBHJXCIHD-CBAPKCEASA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)[C@@H](C)Cc1ccco1)[N+](=O)[O-] ZINC000851037004 588585850 /nfs/dbraw/zinc/58/58/50/588585850.db2.gz PLJDMRBVCOIOIB-IUCAKERBSA-N 0 3 241.243 1.667 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1C(C)(C)C)[N+](=O)[O-] ZINC000870378882 589661382 /nfs/dbraw/zinc/66/13/82/589661382.db2.gz ZEOXTXDAFXKWRK-IWSPIJDZSA-N 0 3 229.276 1.877 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](C)O ZINC000873006643 589978936 /nfs/dbraw/zinc/97/89/36/589978936.db2.gz NNYXMQKWDOTBNR-VIFPVBQESA-N 0 3 238.287 1.682 20 5 BDBDHN CN(C)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881736894 591268311 /nfs/dbraw/zinc/26/83/11/591268311.db2.gz KKSMXRDFDBCKRL-UHFFFAOYSA-N 0 3 228.227 1.102 20 5 BDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346479 592213471 /nfs/dbraw/zinc/21/34/71/592213471.db2.gz JNUDNBKZKHXBNL-NTZNESFSSA-N 0 3 248.282 1.580 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1Cc2ccccc21 ZINC000905053176 637569421 /nfs/dbraw/zinc/56/94/21/637569421.db2.gz YVNLBBJTMTWHHC-SNVBAGLBSA-N 0 3 206.245 1.193 20 5 BDBDHN O=[N+]([O-])CCNCCCOc1ccccc1 ZINC000905025537 637573464 /nfs/dbraw/zinc/57/34/64/637573464.db2.gz LJJZHXBYKZXGSI-UHFFFAOYSA-N 0 3 224.260 1.322 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccc(F)c1F ZINC000905108159 637615764 /nfs/dbraw/zinc/61/57/64/637615764.db2.gz DVRNEPGBTGDJEA-UHFFFAOYSA-N 0 3 230.214 1.374 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccccc1[N+](=O)[O-] ZINC000905140610 637647976 /nfs/dbraw/zinc/64/79/76/637647976.db2.gz XGWQLUWPQXZFCS-UHFFFAOYSA-N 0 3 239.231 1.004 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000905174129 637683386 /nfs/dbraw/zinc/68/33/86/637683386.db2.gz DLEKZSZXIPIFNC-YNEHKIRRSA-N 0 3 232.283 1.581 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1CCCC(F)(F)C1 ZINC000905176453 637685362 /nfs/dbraw/zinc/68/53/62/637685362.db2.gz RVOKIYPNVDPWDY-SSDOTTSWSA-N 0 3 208.208 1.431 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000905384236 637783811 /nfs/dbraw/zinc/78/38/11/637783811.db2.gz VEMSFONXZLDDNZ-GRYCIOLGSA-N 0 3 236.246 1.330 20 5 BDBDHN CCO[C@@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930627427 639830175 /nfs/dbraw/zinc/83/01/75/639830175.db2.gz HLLKBGCSGGZCPF-NXEZZACHSA-N 0 3 228.292 1.200 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000931026027 640028118 /nfs/dbraw/zinc/02/81/18/640028118.db2.gz OMRBCGVGSIISQX-RYUDHWBXSA-N 0 3 242.319 1.544 20 5 BDBDHN Cc1nn(C[C@@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000915323216 641820308 /nfs/dbraw/zinc/82/03/08/641820308.db2.gz YDKADPFXJBTFBC-JTQLQIEISA-N 0 3 238.291 1.502 20 5 BDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000847714029 712609218 /nfs/dbraw/zinc/60/92/18/712609218.db2.gz IMCHUOPOBJRDFY-ZCFIWIBFSA-N 0 3 229.188 1.110 20 5 BDBDHN Cc1c(CN[C@]23C[C@H]2COC3)cccc1[N+](=O)[O-] ZINC000718018820 712736827 /nfs/dbraw/zinc/73/68/27/712736827.db2.gz XDVWCLDGUQPMQR-AAEUAGOBSA-N 0 3 248.282 1.782 20 5 BDBDHN CC1(C)COCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037703 969357967 /nfs/dbraw/zinc/35/79/67/969357967.db2.gz SXMMAXQIQCWPLK-WDEREUQCSA-N 0 3 242.319 1.543 20 5 BDBDHN COCCN(CC[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC001332980982 975354322 /nfs/dbraw/zinc/35/43/22/975354322.db2.gz OVESKXKKTZVXSH-GHMZBOCLSA-N 0 3 230.308 1.400 20 5 BDBDHN CS[C@H]1CC[C@@H](N(C)CC[N+](=O)[O-])C1 ZINC001333832380 976113484 /nfs/dbraw/zinc/11/34/84/976113484.db2.gz GIXFVQASLRNLMC-BDAKNGLRSA-N 0 3 218.322 1.479 20 5 BDBDHN Cc1ccc([C@@H]2C[C@H]2NCC[N+](=O)[O-])cc1 ZINC001338549276 978701988 /nfs/dbraw/zinc/70/19/88/978701988.db2.gz GDTXBQNYXFWFPZ-NWDGAFQWSA-N 0 3 220.272 1.717 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)N)n1 ZINC001158345421 963848783 /nfs/dbraw/zinc/84/87/83/963848783.db2.gz MPQZISJHAQOWPR-QMMMGPOBSA-N 0 3 247.258 1.504 20 5 BDBDHN COc1cccc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001162593909 965067208 /nfs/dbraw/zinc/06/72/08/965067208.db2.gz VHJBQDUIIVAHES-UHFFFAOYSA-N 0 3 248.242 1.248 20 5 BDBDHN CN(C)C1(C)CN(c2cccc([N+](=O)[O-])n2)C1 ZINC001165117126 965965866 /nfs/dbraw/zinc/96/58/66/965965866.db2.gz QBBQOMYLWINANI-UHFFFAOYSA-N 0 3 236.275 1.130 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035865 969358098 /nfs/dbraw/zinc/35/80/98/969358098.db2.gz DOSKTSLADQMSIV-WISYIIOYSA-N 0 3 242.319 1.541 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2Cc3ccncc3C2)C1 ZINC001169036361 969358182 /nfs/dbraw/zinc/35/81/82/969358182.db2.gz NWWWTVBJTFGPGL-ZWNOBZJWSA-N 0 3 247.298 1.843 20 5 BDBDHN C[C@H](N)c1ccn(-c2ncccc2[N+](=O)[O-])n1 ZINC001169230777 969501894 /nfs/dbraw/zinc/50/18/94/969501894.db2.gz CFSAOLOLUHPIMT-ZETCQYMHSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCN(C)C1 ZINC001228915641 976576764 /nfs/dbraw/zinc/57/67/64/976576764.db2.gz IIMKJWHRCZZKEX-NSHDSACASA-N 0 3 236.271 1.986 20 5 BDBDHN C[C@](O)(CCNCC[N+](=O)[O-])c1ccccc1 ZINC001335985230 977406951 /nfs/dbraw/zinc/40/69/51/977406951.db2.gz BHYZEMGGLWSLRT-LBPRGKRZSA-N 0 3 238.287 1.151 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@H]2C[C@H]2C[C@H]1C)[N+](=O)[O-] ZINC001344808831 980472219 /nfs/dbraw/zinc/47/22/19/980472219.db2.gz UTXCAEJSGQKNPA-ILAIQSSSSA-N 0 3 241.287 1.877 20 5 BDBDHN C[C@H]1COC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000688052078 985538811 /nfs/dbraw/zinc/53/88/11/985538811.db2.gz ZOHURNPAEGWJJF-CABZTGNLSA-N 0 3 236.271 1.719 20 5 BDBDHN CC(COC(=O)[C@@H]1[C@@H](C)C1(F)F)[N+](=O)[O-] ZINC001518857255 989349441 /nfs/dbraw/zinc/34/94/41/989349441.db2.gz XWFSDADAXLLXIG-PBXRRBTRSA-N 0 3 223.175 1.096 20 5 BDBDHN C[C@@H](NC(=O)[C@H](C)N)c1ccc([N+](=O)[O-])cc1 ZINC001122166606 990274706 /nfs/dbraw/zinc/27/47/06/990274706.db2.gz MOTDCNXDLOAQHI-JGVFFNPUSA-N 0 3 237.259 1.119 20 5 BDBDHN CO[C@@H]1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001123041442 990495311 /nfs/dbraw/zinc/49/53/11/990495311.db2.gz DCWQHRZDJHONDQ-HRDYMLBCSA-N 0 3 231.248 1.010 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)cn1 ZINC000118597162 343050180 /nfs/dbraw/zinc/05/01/80/343050180.db2.gz LYVPWDUVRNOERF-LLVKDONJSA-N 0 3 248.286 1.274 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCC[C@H]32)c1 ZINC000610762460 344151848 /nfs/dbraw/zinc/15/18/48/344151848.db2.gz GLKRWAYKZXWIPK-MWLCHTKSSA-N 0 3 236.275 1.276 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401142188 346312056 /nfs/dbraw/zinc/31/20/56/346312056.db2.gz ZHOVPKLPVGPYSI-ZETCQYMHSA-N 0 3 242.254 1.491 20 5 BDBDHN CN(C)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401180635 346397439 /nfs/dbraw/zinc/39/74/39/346397439.db2.gz FIEFGJRFIIVNHN-UHFFFAOYSA-N 0 3 228.227 1.102 20 5 BDBDHN O=[N+]([O-])c1cccnc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000591435837 347659775 /nfs/dbraw/zinc/65/97/75/347659775.db2.gz UIUHORJZVBLIMV-AOOOYVTPSA-N 0 3 248.286 1.321 20 5 BDBDHN Cc1ccc(CNC/C=C/CO)cc1[N+](=O)[O-] ZINC000594973511 348162121 /nfs/dbraw/zinc/16/21/21/348162121.db2.gz DRFBBAHRQHFSGW-NSCUHMNNSA-N 0 3 236.271 1.541 20 5 BDBDHN CC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000124474694 187394845 /nfs/dbraw/zinc/39/48/45/187394845.db2.gz ULZHGPLQWWGKEV-LLVKDONJSA-N 0 3 238.287 1.764 20 5 BDBDHN Cc1cc(N(C)CCN(C)C)c([N+](=O)[O-])s1 ZINC000596152728 348453497 /nfs/dbraw/zinc/45/34/97/348453497.db2.gz OCVHZBADNWPNFF-UHFFFAOYSA-N 0 3 243.332 1.963 20 5 BDBDHN CO[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000599016877 349082171 /nfs/dbraw/zinc/08/21/71/349082171.db2.gz VWNHMZZMJKJANB-UMSPYCQHSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC1CCOCC1 ZINC000036308528 358461667 /nfs/dbraw/zinc/46/16/67/358461667.db2.gz VUYIIRLPNMNHJS-UHFFFAOYSA-N 0 3 236.271 1.863 20 5 BDBDHN CC[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)O ZINC000386754146 363038490 /nfs/dbraw/zinc/03/84/90/363038490.db2.gz HDDLCANKWWOCQT-CBAPKCEASA-N 0 3 244.316 1.905 20 5 BDBDHN C[C@H](CO)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000086622729 352428191 /nfs/dbraw/zinc/42/81/91/352428191.db2.gz UGQXHMAUIUYENZ-UWVGGRQHSA-N 0 3 238.287 1.874 20 5 BDBDHN Cc1ccc(CNCC(C)(C)O)cc1[N+](=O)[O-] ZINC000096480828 188147460 /nfs/dbraw/zinc/14/74/60/188147460.db2.gz KNTXJFMRNATECR-UHFFFAOYSA-N 0 3 238.287 1.764 20 5 BDBDHN C[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000035602419 358002341 /nfs/dbraw/zinc/00/23/41/358002341.db2.gz REHUTAKJIPIJNW-MRVPVSSYSA-N 0 3 210.233 1.065 20 5 BDBDHN C[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000035602417 358002464 /nfs/dbraw/zinc/00/24/64/358002464.db2.gz REHUTAKJIPIJNW-QMMMGPOBSA-N 0 3 210.233 1.065 20 5 BDBDHN CC(C)NCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000037386057 363624327 /nfs/dbraw/zinc/62/43/27/363624327.db2.gz DPCPZQVVASZPMT-UHFFFAOYSA-N 0 3 237.259 1.531 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2O)cc1 ZINC000037690268 364525210 /nfs/dbraw/zinc/52/52/10/364525210.db2.gz WWIDOUAELGFRGW-NWDGAFQWSA-N 0 3 236.271 1.598 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2CCC23CCC3)c1 ZINC000081515643 370886431 /nfs/dbraw/zinc/88/64/31/370886431.db2.gz MMGXYSWAKQBDNJ-UHFFFAOYSA-N 0 3 236.275 1.420 20 5 BDBDHN CC(C)[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000092394119 371097160 /nfs/dbraw/zinc/09/71/60/371097160.db2.gz IHEHWEMIUQQHJX-LBPRGKRZSA-N 0 3 238.287 1.701 20 5 BDBDHN Cc1c(CN[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000131449653 371606089 /nfs/dbraw/zinc/60/60/89/371606089.db2.gz LFYIPVHRUVLVCN-NSHDSACASA-N 0 3 236.271 1.782 20 5 BDBDHN CN(C)CCSCCn1cc([N+](=O)[O-])cn1 ZINC000339687074 384008415 /nfs/dbraw/zinc/00/84/15/384008415.db2.gz GIAHSKWZLDLRCY-UHFFFAOYSA-N 0 3 244.320 1.086 20 5 BDBDHN O=[N+]([O-])c1cc(CNC[C@H](O)C2CC2)cs1 ZINC000070882351 384367437 /nfs/dbraw/zinc/36/74/37/384367437.db2.gz AJIFMOZETGNJKP-VIFPVBQESA-N 0 3 242.300 1.517 20 5 BDBDHN C[C@@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000158874911 384560002 /nfs/dbraw/zinc/56/00/02/384560002.db2.gz DLFLMWZCJBCZRY-VIFPVBQESA-N 0 3 224.260 1.407 20 5 BDBDHN CO[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000167063293 385023838 /nfs/dbraw/zinc/02/38/38/385023838.db2.gz OHJIJGKGIYEUMH-VIFPVBQESA-N 0 3 224.260 1.719 20 5 BDBDHN C[C@H](CCO)CNCc1csc([N+](=O)[O-])c1 ZINC000085126703 385027641 /nfs/dbraw/zinc/02/76/41/385027641.db2.gz GBMYRMPLSPTYES-MRVPVSSYSA-N 0 3 244.316 1.764 20 5 BDBDHN C[C@]1(NCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000120156451 385195082 /nfs/dbraw/zinc/19/50/82/385195082.db2.gz ZUODEKJYLCNNTF-LBPRGKRZSA-N 0 3 236.271 1.863 20 5 BDBDHN O=[N+]([O-])c1cccc(CNC2(CO)CC2)c1 ZINC000120339665 385688014 /nfs/dbraw/zinc/68/80/14/385688014.db2.gz BLIKCIZBJYPFJK-UHFFFAOYSA-N 0 3 222.244 1.209 20 5 BDBDHN CN(C)C1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000397879908 385727067 /nfs/dbraw/zinc/72/70/67/385727067.db2.gz XWPZSMRRZVKGTR-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN CN(C)CCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000267057356 386751051 /nfs/dbraw/zinc/75/10/51/386751051.db2.gz LFLWXTMQTWCJEU-UHFFFAOYSA-N 0 3 243.332 1.650 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCN2CCC2)c1 ZINC000344835743 386756338 /nfs/dbraw/zinc/75/63/38/386756338.db2.gz JEMFAMCYDAGJLV-UHFFFAOYSA-N 0 3 235.287 1.390 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)C)n1 ZINC000162603129 388354096 /nfs/dbraw/zinc/35/40/96/388354096.db2.gz RZTQCWZDGKXBRT-SECBINFHSA-N 0 3 238.291 1.660 20 5 BDBDHN CN(C)C1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000270892047 388369377 /nfs/dbraw/zinc/36/93/77/388369377.db2.gz QMBPBQLNFVVNBH-UHFFFAOYSA-N 0 3 221.260 1.345 20 5 BDBDHN CC[C@@H](C)[C@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000330802737 388762200 /nfs/dbraw/zinc/76/22/00/388762200.db2.gz BADYGGMKWRONSH-BDAKNGLRSA-N 0 3 240.307 1.853 20 5 BDBDHN C[C@@H]1CN[C@@H](C)CN1c1ncc([N+](=O)[O-])s1 ZINC000261535235 135169015 /nfs/dbraw/zinc/16/90/15/135169015.db2.gz XBOCZKLNVBYKRR-NKWVEPMBSA-N 0 3 242.304 1.238 20 5 BDBDHN CC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000080108514 171170590 /nfs/dbraw/zinc/17/05/90/171170590.db2.gz BHCWYAMFVBSRDR-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770080 173117273 /nfs/dbraw/zinc/11/72/73/173117273.db2.gz LMAPMKRZGWCECL-ZETCQYMHSA-N 0 3 242.304 1.415 20 5 BDBDHN COCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285396879 174278709 /nfs/dbraw/zinc/27/87/09/174278709.db2.gz SXBJGJMUCDFWJE-UHFFFAOYSA-N 0 3 238.287 1.716 20 5 BDBDHN COCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525908 174337704 /nfs/dbraw/zinc/33/77/04/174337704.db2.gz YQZDLGJZNCNSBS-VIFPVBQESA-N 0 3 224.260 1.892 20 5 BDBDHN COCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085623 174339788 /nfs/dbraw/zinc/33/97/88/174339788.db2.gz FGSUVKKVNSWIDR-SECBINFHSA-N 0 3 224.260 1.892 20 5 BDBDHN C[C@H]1CN(C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994428 177236623 /nfs/dbraw/zinc/23/66/23/177236623.db2.gz MXAOSDZOTDJREW-JQWIXIFHSA-N 0 3 249.314 1.635 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCO ZINC000159696297 323044183 /nfs/dbraw/zinc/04/41/83/323044183.db2.gz KEHREIPOZWFOKC-SECBINFHSA-N 0 3 224.260 1.546 20 5 BDBDHN N[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399233848 323200972 /nfs/dbraw/zinc/20/09/72/323200972.db2.gz QBRQMLBAIIAKGD-LLVKDONJSA-N 0 3 249.270 1.661 20 5 BDBDHN CC(COC(=O)[C@H]1CC12CCCC2)[N+](=O)[O-] ZINC000813102710 582580649 /nfs/dbraw/zinc/58/06/49/582580649.db2.gz JFVNDFCUWUOPHT-RKDXNWHRSA-N 0 3 227.260 1.775 20 5 BDBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccco1 ZINC000851036813 582941341 /nfs/dbraw/zinc/94/13/41/582941341.db2.gz MXRLMSZYKXOTJX-XZLDQRQTSA-N 0 3 239.227 1.891 20 5 BDBDHN Cc1coc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000893043805 583036455 /nfs/dbraw/zinc/03/64/55/583036455.db2.gz CXJDTZLFESXOSQ-SSDOTTSWSA-N 0 3 213.189 1.410 20 5 BDBDHN CC(COC(=O)c1cnc(C2CC2)o1)[N+](=O)[O-] ZINC000893046903 583037637 /nfs/dbraw/zinc/03/76/37/583037637.db2.gz HDWAIJFELHBINK-ZCFIWIBFSA-N 0 3 240.215 1.374 20 5 BDBDHN CC(COC(=O)C1(C2CC2)CC1)[N+](=O)[O-] ZINC000893048769 583037822 /nfs/dbraw/zinc/03/78/22/583037822.db2.gz YFIJOPUEYTXUHT-SSDOTTSWSA-N 0 3 213.233 1.385 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(F)cc1 ZINC000899859995 584242387 /nfs/dbraw/zinc/24/23/87/584242387.db2.gz OTQRGYBRULGXKF-UHFFFAOYSA-N 0 3 212.224 1.235 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccccc1F ZINC000899859289 584242727 /nfs/dbraw/zinc/24/27/27/584242727.db2.gz IQXZIFNPDXVSEZ-UHFFFAOYSA-N 0 3 212.224 1.235 20 5 BDBDHN CC[C@@H](CC(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000838965163 585082544 /nfs/dbraw/zinc/08/25/44/585082544.db2.gz OEKDVKTYWUFJDT-BQBZGAKWSA-N 0 3 239.218 1.876 20 5 BDBDHN CC(COC(=O)[C@]1(C)CCCCO1)[N+](=O)[O-] ZINC000838965386 585082546 /nfs/dbraw/zinc/08/25/46/585082546.db2.gz RXIKDMXRKWMTBE-SCZZXKLOSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)[C@@H](C)CC(F)(F)F)[N+](=O)[O-] ZINC000838965692 585082634 /nfs/dbraw/zinc/08/26/34/585082634.db2.gz WQXHKBFJTKNZPC-NTSWFWBYSA-N 0 3 243.181 1.783 20 5 BDBDHN CC(COC(=O)[C@H](C)C1CCC1)[N+](=O)[O-] ZINC000838965554 585082665 /nfs/dbraw/zinc/08/26/65/585082665.db2.gz SUWKARDQYVMTAD-JGVFFNPUSA-N 0 3 215.249 1.631 20 5 BDBDHN CS[C@@H]1CCCCN(CC[N+](=O)[O-])C1 ZINC000791055133 585973014 /nfs/dbraw/zinc/97/30/14/585973014.db2.gz PLLIZVIFXHBRGM-SECBINFHSA-N 0 3 218.322 1.481 20 5 BDBDHN CC(C)n1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813102738 586591907 /nfs/dbraw/zinc/59/19/07/586591907.db2.gz UKUJPXSWVOMZME-MRVPVSSYSA-N 0 3 241.247 1.286 20 5 BDBDHN CC(COC(=O)CC1CCOCC1)[N+](=O)[O-] ZINC000813102353 586592020 /nfs/dbraw/zinc/59/20/20/586592020.db2.gz DYVHISMPQMBJTR-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)[C@H]1CCC(=O)C[C@H]1C)[N+](=O)[O-] ZINC000813103241 586592099 /nfs/dbraw/zinc/59/20/99/586592099.db2.gz ZFZGDOQYBSCYTH-WEDXCCLWSA-N 0 3 243.259 1.200 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813102937 586592149 /nfs/dbraw/zinc/59/21/49/586592149.db2.gz WOVCVFISBCSGHG-LURJTMIESA-N 0 3 213.189 1.410 20 5 BDBDHN CC(COC(=O)C1(C(F)(F)F)CC1)[N+](=O)[O-] ZINC000813105060 586592246 /nfs/dbraw/zinc/59/22/46/586592246.db2.gz UZBMDWFBFPZNLS-RXMQYKEDSA-N 0 3 241.165 1.537 20 5 BDBDHN CC(COC(=O)/C=C1/CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813105595 586592250 /nfs/dbraw/zinc/59/22/50/586592250.db2.gz PWAMLXSYWVFRGG-QJXKICHHSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)c1ccnc(Cl)c1)[N+](=O)[O-] ZINC000813103511 586592450 /nfs/dbraw/zinc/59/24/50/586592450.db2.gz CIUJZQRZGZLMKK-ZCFIWIBFSA-N 0 3 244.634 1.557 20 5 BDBDHN CC(COC(=O)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107653 586592814 /nfs/dbraw/zinc/59/28/14/586592814.db2.gz PUYWDDBBTHILQS-MRVPVSSYSA-N 0 3 241.218 1.577 20 5 BDBDHN CC(COC(=O)c1cccc2cc[nH]c21)[N+](=O)[O-] ZINC000813106268 586592902 /nfs/dbraw/zinc/59/29/02/586592902.db2.gz BUIRXLAGDQDPQT-MRVPVSSYSA-N 0 3 248.238 1.990 20 5 BDBDHN Cc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108094 586593045 /nfs/dbraw/zinc/59/30/45/586593045.db2.gz VARMVNKFZBZKIT-ZETCQYMHSA-N 0 3 224.216 1.212 20 5 BDBDHN CCC/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813109368 586593189 /nfs/dbraw/zinc/59/31/89/586593189.db2.gz JKYWWHAMXZCQBG-HQZHTGGTSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)CCc1cscn1)[N+](=O)[O-] ZINC000813112304 586593439 /nfs/dbraw/zinc/59/34/39/586593439.db2.gz PEFDENZGLVIBKR-SSDOTTSWSA-N 0 3 244.272 1.284 20 5 BDBDHN CC(COC(=O)[C@@H](C)C1CC1)[N+](=O)[O-] ZINC000813111204 586593473 /nfs/dbraw/zinc/59/34/73/586593473.db2.gz QITKZVSJLXETFD-RQJHMYQMSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(C)[C@H](F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110436 586593519 /nfs/dbraw/zinc/59/35/19/586593519.db2.gz ARKXHXDVEBKQLZ-BQBZGAKWSA-N 0 3 207.201 1.189 20 5 BDBDHN CC(COC(=O)CCCC1CC1)[N+](=O)[O-] ZINC000813111611 586593521 /nfs/dbraw/zinc/59/35/21/586593521.db2.gz IURCSTBIFJMUAE-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)[C@H](C)C1CC1)[N+](=O)[O-] ZINC000813111202 586593663 /nfs/dbraw/zinc/59/36/63/586593663.db2.gz QITKZVSJLXETFD-NKWVEPMBSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(COC(=O)C[C@@H](C)n1cccc1)[N+](=O)[O-] ZINC000813114488 586593862 /nfs/dbraw/zinc/59/38/62/586593862.db2.gz CKGZQGJHQDAOLG-NXEZZACHSA-N 0 3 240.259 1.648 20 5 BDBDHN C/C=C(/CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112780 586594079 /nfs/dbraw/zinc/59/40/79/586594079.db2.gz LDSSXNSTKMRJSE-OJKBXMANSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)C[C@H]1CCC(=O)[C@H]1C)[N+](=O)[O-] ZINC000813112793 586594099 /nfs/dbraw/zinc/59/40/99/586594099.db2.gz LIMCTUKOGPSZHO-HRDYMLBCSA-N 0 3 243.259 1.200 20 5 BDBDHN Cc1nscc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113976 586594157 /nfs/dbraw/zinc/59/41/57/586594157.db2.gz XIRNOPRNRWHEHW-RXMQYKEDSA-N 0 3 230.245 1.274 20 5 BDBDHN CC(C)C(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115660 586594330 /nfs/dbraw/zinc/59/43/30/586594330.db2.gz XGADTZHKCSKSRU-QMMMGPOBSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)[C@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114939 586594353 /nfs/dbraw/zinc/59/43/53/586594353.db2.gz YDLJRTVRFRRNHL-HLTSFMKQSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)c1sccc1F)[N+](=O)[O-] ZINC000816090869 586707545 /nfs/dbraw/zinc/70/75/45/586707545.db2.gz ARNJHBCIOFGCCC-RXMQYKEDSA-N 0 3 233.220 1.709 20 5 BDBDHN CC(COC(=O)C(F)=C1CCC1)[N+](=O)[O-] ZINC000821166656 587099976 /nfs/dbraw/zinc/09/99/76/587099976.db2.gz FVGLLAZITFESGO-ZCFIWIBFSA-N 0 3 217.196 1.602 20 5 BDBDHN Cc1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835455812 587803315 /nfs/dbraw/zinc/80/33/15/587803315.db2.gz PFXMJLFFMAJXRK-SSDOTTSWSA-N 0 3 229.257 1.879 20 5 BDBDHN CC/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000835457691 587803322 /nfs/dbraw/zinc/80/33/22/587803322.db2.gz YYUWZCYXYABCBS-TVSKSKRASA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)C[C@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577046 588233826 /nfs/dbraw/zinc/23/38/26/588233826.db2.gz QZSWKPBNJDMWII-IUCAKERBSA-N 0 3 241.247 1.043 20 5 BDBDHN CC(COC(=O)c1ccnn1C(F)F)[N+](=O)[O-] ZINC000851036281 588585628 /nfs/dbraw/zinc/58/56/28/588585628.db2.gz GKGKXIQOTUDGKO-YFKPBYRVSA-N 0 3 249.173 1.100 20 5 BDBDHN CC(COC(=O)C[C@@H](C)[C@@H]1CCCO1)[N+](=O)[O-] ZINC000851036077 588585702 /nfs/dbraw/zinc/58/57/02/588585702.db2.gz FJIOQIWXFZRRFS-BBBLOLIVSA-N 0 3 245.275 1.400 20 5 BDBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000851037578 588586095 /nfs/dbraw/zinc/58/60/95/588586095.db2.gz WZZVPTNCSVZMPI-WCBMZHEXSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccco1)[N+](=O)[O-] ZINC000860777597 589119429 /nfs/dbraw/zinc/11/94/29/589119429.db2.gz QXTBKJHOUDKMLH-DJLDLDEBSA-N 0 3 239.227 1.592 20 5 BDBDHN CCC[C@@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642837 589387457 /nfs/dbraw/zinc/38/74/57/589387457.db2.gz XFEWGTWMFKOCBF-MRVPVSSYSA-N 0 3 241.295 1.133 20 5 BDBDHN CC(COC(=O)C1(C)CC(F)(F)C1)[N+](=O)[O-] ZINC000873533472 590054449 /nfs/dbraw/zinc/05/44/49/590054449.db2.gz ZZLDYTASGBPFSB-LURJTMIESA-N 0 3 237.202 1.630 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CF)C2)c1 ZINC000880293170 590987330 /nfs/dbraw/zinc/98/73/30/590987330.db2.gz FHENJFGMEWLEPZ-VIFPVBQESA-N 0 3 242.254 1.083 20 5 BDBDHN CSC[C@H]1CCCN1CC[N+](=O)[O-] ZINC000308299564 631273625 /nfs/dbraw/zinc/27/36/25/631273625.db2.gz JPQWTRBMNASNPK-MRVPVSSYSA-N 0 3 204.295 1.091 20 5 BDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178857031 635747622 /nfs/dbraw/zinc/74/76/22/635747622.db2.gz FUEAXNVRWZHIBU-GFCCVEGCSA-N 0 3 236.271 1.722 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccs1 ZINC000905024932 637574045 /nfs/dbraw/zinc/57/40/45/637574045.db2.gz KOMPICHCFLTFEI-UHFFFAOYSA-N 0 3 200.263 1.157 20 5 BDBDHN CCc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905129291 637641200 /nfs/dbraw/zinc/64/12/00/637641200.db2.gz ZLMNPUULKYXTMV-UHFFFAOYSA-N 0 3 222.288 1.658 20 5 BDBDHN Cc1cnc([C@@H](C)CNCC[N+](=O)[O-])s1 ZINC000905214743 637699845 /nfs/dbraw/zinc/69/98/45/637699845.db2.gz VTIJXEYAVDQQOA-ZETCQYMHSA-N 0 3 229.305 1.421 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000905243648 637704026 /nfs/dbraw/zinc/70/40/26/637704026.db2.gz LHYXPWOIIANOLM-UMSPYCQHSA-N 0 3 238.262 1.938 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000905269855 637729261 /nfs/dbraw/zinc/72/92/61/637729261.db2.gz YONNOTFLEGSUPT-UMSPYCQHSA-N 0 3 238.262 1.938 20 5 BDBDHN CN1Cc2ccccc2[C@@H]1CNCC[N+](=O)[O-] ZINC000905407513 637798810 /nfs/dbraw/zinc/79/88/10/637798810.db2.gz BRIZTVXECJJOGH-LBPRGKRZSA-N 0 3 235.287 1.039 20 5 BDBDHN C/C=C/C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931339159 640165484 /nfs/dbraw/zinc/16/54/84/640165484.db2.gz VXLGDTCQLAPIHV-VUDBWIFFSA-N 0 3 212.293 1.941 20 5 BDBDHN CC(C)(NCC[N+](=O)[O-])[C@H]1CCCCO1 ZINC000931505669 640239718 /nfs/dbraw/zinc/23/97/18/640239718.db2.gz WIWKUYPPJXCSCO-SECBINFHSA-N 0 3 216.281 1.200 20 5 BDBDHN CCc1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813115400 643415215 /nfs/dbraw/zinc/41/52/15/643415215.db2.gz QWKYRFGTWIVVEA-ZCFIWIBFSA-N 0 3 244.272 1.528 20 5 BDBDHN Cc1ccn(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115577 643415383 /nfs/dbraw/zinc/41/53/83/643415383.db2.gz VUTARCPMNWIKQM-MRVPVSSYSA-N 0 3 226.232 1.156 20 5 BDBDHN CCN1CC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000712532368 712441657 /nfs/dbraw/zinc/44/16/57/712441657.db2.gz ATSUMXLOQMSMSU-LBPRGKRZSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042457 969362456 /nfs/dbraw/zinc/36/24/56/969362456.db2.gz DOSKTSLADQMSIV-QCNOEVLYSA-N 0 3 242.319 1.541 20 5 BDBDHN CCOc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC001356548379 983626695 /nfs/dbraw/zinc/62/66/95/983626695.db2.gz MHRPFCCWRIIUIZ-UHFFFAOYSA-N 0 3 238.287 1.494 20 5 BDBDHN O=[N+]([O-])c1cccc([O-])c1O[C@H]1CCC[NH2+]C1 ZINC001218279399 959939057 /nfs/dbraw/zinc/93/90/57/959939057.db2.gz POUHSJOFMWVEFG-QMMMGPOBSA-N 0 3 238.243 1.431 20 5 BDBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634368 962463568 /nfs/dbraw/zinc/46/35/68/962463568.db2.gz VZNUHKLDSKOOSV-SNVBAGLBSA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)C1 ZINC000052812602 963547855 /nfs/dbraw/zinc/54/78/55/963547855.db2.gz HCPWZGACMFGCQA-VIFPVBQESA-N 0 3 236.275 1.414 20 5 BDBDHN Cc1cc(O[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001228832847 963896853 /nfs/dbraw/zinc/89/68/53/963896853.db2.gz FDZHQMOJOKFEGP-LLVKDONJSA-N 0 3 236.271 1.986 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3ccncc3C2)C1 ZINC001169036358 969356880 /nfs/dbraw/zinc/35/68/80/969356880.db2.gz NWWWTVBJTFGPGL-MFKMUULPSA-N 0 3 247.298 1.843 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(C(F)F)C2)C1 ZINC001169053554 969371398 /nfs/dbraw/zinc/37/13/98/969371398.db2.gz ILKFFDHXSIYKIT-VXNVDRBHSA-N 0 3 234.246 1.629 20 5 BDBDHN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711111 975042549 /nfs/dbraw/zinc/04/25/49/975042549.db2.gz ZTWVIBXFZBVEKL-JTQLQIEISA-N 0 3 237.259 1.463 20 5 BDBDHN C[C@H]1CCN(CC[N+](=O)[O-])CC1(C)C ZINC001332902658 975316640 /nfs/dbraw/zinc/31/66/40/975316640.db2.gz NZAHIOTUJTUUSP-VIFPVBQESA-N 0 3 200.282 1.631 20 5 BDBDHN Cc1ccc(O[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001230143633 977119931 /nfs/dbraw/zinc/11/99/31/977119931.db2.gz NCWGBVJLWIGKCR-JTQLQIEISA-N 0 3 236.271 1.986 20 5 BDBDHN CC(C)CC[C@@](C)(O)CNCC[N+](=O)[O-] ZINC001336778975 977952427 /nfs/dbraw/zinc/95/24/27/977952427.db2.gz FRXSSWJXEHTHBY-SNVBAGLBSA-N 0 3 218.297 1.040 20 5 BDBDHN CC(COC(=O)[C@]12C[C@H]1CCC2)[N+](=O)[O-] ZINC001343663079 980182321 /nfs/dbraw/zinc/18/23/21/980182321.db2.gz BKDBXGUEPMMVJE-QXFUBDJGSA-N 0 3 213.233 1.385 20 5 BDBDHN CC(COC(=O)C1(C(C)(F)F)CC1)[N+](=O)[O-] ZINC001348255081 981319531 /nfs/dbraw/zinc/31/95/31/981319531.db2.gz ATDYBNIYOTYAAF-LURJTMIESA-N 0 3 237.202 1.630 20 5 BDBDHN Cc1cc(NC(=O)C(C)(C)N)cc([N+](=O)[O-])c1 ZINC001122598976 990421395 /nfs/dbraw/zinc/42/13/95/990421395.db2.gz FQJUQODBIVOUIW-UHFFFAOYSA-N 0 3 237.259 1.579 20 5 BDBDHN O=[N+]([O-])c1cnccc1N1CCN2CCC[C@@H]2C1 ZINC000608973085 342856412 /nfs/dbraw/zinc/85/64/12/342856412.db2.gz XZWYJGCLCREDFS-SNVBAGLBSA-N 0 3 248.286 1.274 20 5 BDBDHN CC[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386835046 343123209 /nfs/dbraw/zinc/12/32/09/343123209.db2.gz ILXGVVSMAKFICH-KOLCDFICSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035602129 343299223 /nfs/dbraw/zinc/29/92/23/343299223.db2.gz UNUYPZPPVKSWTB-IUCAKERBSA-N 0 3 224.260 1.626 20 5 BDBDHN Cc1nc(N2CCN3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC000599082732 537862646 /nfs/dbraw/zinc/86/26/46/537862646.db2.gz GNYSUWUIFORAIG-JTQLQIEISA-N 0 3 248.286 1.193 20 5 BDBDHN CN(CC1CN(C)C1)c1ccccc1[N+](=O)[O-] ZINC000596455010 348551985 /nfs/dbraw/zinc/55/19/85/348551985.db2.gz ZLAUTWIHMMMHCX-UHFFFAOYSA-N 0 3 235.287 1.593 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCC2COC2)c1 ZINC000599010798 349075567 /nfs/dbraw/zinc/07/55/67/349075567.db2.gz DYPMHXXWGXZXCB-UHFFFAOYSA-N 0 3 222.244 1.331 20 5 BDBDHN CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292196143 350890500 /nfs/dbraw/zinc/89/05/00/350890500.db2.gz NODQBXKNRHIBBF-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN Cc1c(CNC(=O)C2(N)CC2)cccc1[N+](=O)[O-] ZINC000231856346 351411781 /nfs/dbraw/zinc/41/17/81/351411781.db2.gz BTWJBLHBMOYKJH-UHFFFAOYSA-N 0 3 249.270 1.011 20 5 BDBDHN C[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000035112428 355825009 /nfs/dbraw/zinc/82/50/09/355825009.db2.gz XJYJOXIBDHCEMH-QMMMGPOBSA-N 0 3 210.233 1.065 20 5 BDBDHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352186189 134099371 /nfs/dbraw/zinc/09/93/71/134099371.db2.gz JSPDMANRXCKFKQ-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@H](CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000088195092 356590649 /nfs/dbraw/zinc/59/06/49/356590649.db2.gz WXHLBYKRVOOHOA-VIFPVBQESA-N 0 3 224.260 1.313 20 5 BDBDHN CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CCN1 ZINC000212795685 359290365 /nfs/dbraw/zinc/29/03/65/359290365.db2.gz IVIHCPRYXYISRN-UHFFFAOYSA-N 0 3 236.275 1.178 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNCCN1CCC1 ZINC000350102448 371554422 /nfs/dbraw/zinc/55/44/22/371554422.db2.gz PQGCBGGBGCXXAC-UHFFFAOYSA-N 0 3 249.314 1.699 20 5 BDBDHN CC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602894537 371853911 /nfs/dbraw/zinc/85/39/11/371853911.db2.gz IIWASOHPTOKDCM-SNVBAGLBSA-N 0 3 238.291 1.607 20 5 BDBDHN C[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000134181397 372174740 /nfs/dbraw/zinc/17/47/40/372174740.db2.gz YJBHGOXMACEMHL-CABZTGNLSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCn1ccnc1 ZINC000041063671 374102482 /nfs/dbraw/zinc/10/24/82/374102482.db2.gz ONOOYPZHYWKMSJ-UHFFFAOYSA-N 0 3 246.270 1.581 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C)n1 ZINC000088036084 383873642 /nfs/dbraw/zinc/87/36/42/383873642.db2.gz CTAPXKNXJFJNDC-UHFFFAOYSA-N 0 3 224.264 1.272 20 5 BDBDHN CCN(CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000048346905 384487678 /nfs/dbraw/zinc/48/76/78/384487678.db2.gz XAWLYEKCIZYHBJ-UHFFFAOYSA-N 0 3 238.287 1.717 20 5 BDBDHN C[C@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000158875041 384560921 /nfs/dbraw/zinc/56/09/21/384560921.db2.gz DLFLMWZCJBCZRY-SECBINFHSA-N 0 3 224.260 1.407 20 5 BDBDHN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000044386088 384655031 /nfs/dbraw/zinc/65/50/31/384655031.db2.gz CTSZGVNWDGPCJK-LLVKDONJSA-N 0 3 235.287 1.389 20 5 BDBDHN CN1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000044386090 384656564 /nfs/dbraw/zinc/65/65/64/384656564.db2.gz PTGBDXQGAXATQP-NSHDSACASA-N 0 3 235.287 1.389 20 5 BDBDHN CN1CC[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000450798962 384927880 /nfs/dbraw/zinc/92/78/80/384927880.db2.gz WERYGSYXJGIJPK-MFKMUULPSA-N 0 3 247.298 1.735 20 5 BDBDHN Cc1c(CN(C)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000135506120 385032318 /nfs/dbraw/zinc/03/23/18/385032318.db2.gz FCTIFWBQSIXTAM-SECBINFHSA-N 0 3 238.287 1.716 20 5 BDBDHN CN(C)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000263987445 385190785 /nfs/dbraw/zinc/19/07/85/385190785.db2.gz FAEPGWLPYZFBNR-VIFPVBQESA-N 0 3 236.275 1.130 20 5 BDBDHN Cc1ccc([C@H](C)NC(=O)CN)cc1[N+](=O)[O-] ZINC000237622892 386397803 /nfs/dbraw/zinc/39/78/03/386397803.db2.gz IUUZIRACGZWOMJ-QMMMGPOBSA-N 0 3 237.259 1.039 20 5 BDBDHN C[C@@H]1[C@H](O)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000590661482 388128124 /nfs/dbraw/zinc/12/81/24/388128124.db2.gz WZSSFWKIOPVJNN-BXKDBHETSA-N 0 3 236.271 1.550 20 5 BDBDHN CCN(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162620753 388354506 /nfs/dbraw/zinc/35/45/06/388354506.db2.gz NDSPTMNHSIDUPW-UHFFFAOYSA-N 0 3 238.291 1.662 20 5 BDBDHN C[C@@H](O)C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000164604174 388395165 /nfs/dbraw/zinc/39/51/65/388395165.db2.gz YBJJJBUQSIQQGF-HTQZYQBOSA-N 0 3 244.316 1.905 20 5 BDBDHN CN(C)CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000090998141 388589912 /nfs/dbraw/zinc/58/99/12/388589912.db2.gz XJUAYALAABJFCI-UHFFFAOYSA-N 0 3 244.682 1.617 20 5 BDBDHN Cc1cnc(OC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000330871361 388762069 /nfs/dbraw/zinc/76/20/69/388762069.db2.gz GFXZNCNFGYXYHX-SECBINFHSA-N 0 3 239.275 1.627 20 5 BDBDHN Cc1ccc([C@@H](C)NCCO)cc1[N+](=O)[O-] ZINC000020596871 388779144 /nfs/dbraw/zinc/77/91/44/388779144.db2.gz WFVDPJUNDCOECE-SECBINFHSA-N 0 3 224.260 1.546 20 5 BDBDHN Cc1nc(N2CCN[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000118675088 132438867 /nfs/dbraw/zinc/43/88/67/132438867.db2.gz URQTUBYVIIDIRE-QMMMGPOBSA-N 0 3 236.275 1.096 20 5 BDBDHN CC(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352097287 134063965 /nfs/dbraw/zinc/06/39/65/134063965.db2.gz QOVDTSQNWCJPNE-UHFFFAOYSA-N 0 3 234.259 1.969 20 5 BDBDHN O=[N+]([O-])c1cnccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044725863 411140129 /nfs/dbraw/zinc/14/01/29/411140129.db2.gz ZSLSZGYQTOVZIP-SECBINFHSA-N 0 3 248.286 1.638 20 5 BDBDHN CC1=CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000270320876 168115494 /nfs/dbraw/zinc/11/54/94/168115494.db2.gz KGQASMCIYWWXAG-UHFFFAOYSA-N 0 3 236.275 1.443 20 5 BDBDHN C[C@@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000096811702 175681675 /nfs/dbraw/zinc/68/16/75/175681675.db2.gz UOHUBEPHPMXLRN-VIFPVBQESA-N 0 3 224.260 1.455 20 5 BDBDHN C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176190490 177076648 /nfs/dbraw/zinc/07/66/48/177076648.db2.gz XQNWJXUHRGGQFA-JTQLQIEISA-N 0 3 238.291 1.666 20 5 BDBDHN CC(COC(=O)CC1CCC1)[N+](=O)[O-] ZINC000813110078 586593061 /nfs/dbraw/zinc/59/30/61/586593061.db2.gz RWAMDZOUIFQOIJ-ZETCQYMHSA-N 0 3 201.222 1.385 20 5 BDBDHN CC[C@@H](C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115308 586594375 /nfs/dbraw/zinc/59/43/75/586594375.db2.gz OUDMHIGTULUVPP-HTQZYQBOSA-N 0 3 219.237 1.010 20 5 BDBDHN CCC[C@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453312 587802766 /nfs/dbraw/zinc/80/27/66/587802766.db2.gz ADWDKJUWNISSCZ-SFYZADRCSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)CSC(F)F)[N+](=O)[O-] ZINC000835455328 587802976 /nfs/dbraw/zinc/80/29/76/587802976.db2.gz OHYDQZZHMMRXGG-BYPYZUCNSA-N 0 3 229.204 1.151 20 5 BDBDHN C[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570410176 323058698 /nfs/dbraw/zinc/05/86/98/323058698.db2.gz FWUIJOMYHXGDFZ-KWQFWETISA-N 0 3 236.271 1.553 20 5 BDBDHN C[C@@H](O)CCNCc1csc([N+](=O)[O-])c1 ZINC000078781826 325431459 /nfs/dbraw/zinc/43/14/59/325431459.db2.gz COWMWPATCHFTPW-SSDOTTSWSA-N 0 3 230.289 1.517 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCCS1)[N+](=O)[O-] ZINC000813106708 582582093 /nfs/dbraw/zinc/58/20/93/582582093.db2.gz GBWRAWHCIOHMIM-SFYZADRCSA-N 0 3 233.289 1.481 20 5 BDBDHN Cc1noc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111055 582587370 /nfs/dbraw/zinc/58/73/70/582587370.db2.gz BGTQKRGPOYDEOS-YFKPBYRVSA-N 0 3 228.204 1.113 20 5 BDBDHN CC(COC(=O)c1conc1C1CC1)[N+](=O)[O-] ZINC000813113312 582589630 /nfs/dbraw/zinc/58/96/30/582589630.db2.gz PNJKGERSBJVKTP-ZCFIWIBFSA-N 0 3 240.215 1.374 20 5 BDBDHN CCO[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112205 582589772 /nfs/dbraw/zinc/58/97/72/582589772.db2.gz DIWKLUHVICGWOJ-JGVFFNPUSA-N 0 3 219.237 1.010 20 5 BDBDHN CN1C[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000893940408 583255184 /nfs/dbraw/zinc/25/51/84/583255184.db2.gz OHWMBLKFPAERRD-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN CN(C)[C@H](CNCC[N+](=O)[O-])c1cccs1 ZINC000899859671 584242510 /nfs/dbraw/zinc/24/25/10/584242510.db2.gz MBGWLCJGNWBWCJ-SECBINFHSA-N 0 3 243.332 1.217 20 5 BDBDHN C[C@@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000899874068 584245652 /nfs/dbraw/zinc/24/56/52/584245652.db2.gz YMXRSXUKHWJETK-VIFPVBQESA-N 0 3 226.251 1.796 20 5 BDBDHN C[C@H](Cc1ccccc1F)NCC[N+](=O)[O-] ZINC000899873787 584245665 /nfs/dbraw/zinc/24/56/65/584245665.db2.gz UNEHSQSUUIRQOS-SECBINFHSA-N 0 3 226.251 1.623 20 5 BDBDHN O=[N+]([O-])CCN1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000899888041 584247417 /nfs/dbraw/zinc/24/74/17/584247417.db2.gz XYEJUVSQXCEDGP-MNOVXSKESA-N 0 3 210.277 1.384 20 5 BDBDHN CCC(C)(C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000838965501 585082489 /nfs/dbraw/zinc/08/24/89/585082489.db2.gz SCZUHJPZBBCSNW-MRVPVSSYSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)[C@@H](C)CC(F)(F)F)[N+](=O)[O-] ZINC000838965695 585082615 /nfs/dbraw/zinc/08/26/15/585082615.db2.gz WQXHKBFJTKNZPC-WDSKDSINSA-N 0 3 243.181 1.783 20 5 BDBDHN CCC(C)(C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000838965502 585082617 /nfs/dbraw/zinc/08/26/17/585082617.db2.gz SCZUHJPZBBCSNW-QMMMGPOBSA-N 0 3 233.264 1.400 20 5 BDBDHN CCSCC[C@@H](C)N(C)CC[N+](=O)[O-] ZINC000798197243 586140214 /nfs/dbraw/zinc/14/02/14/586140214.db2.gz PWWUGCQOFFRKNZ-SECBINFHSA-N 0 3 220.338 1.727 20 5 BDBDHN Cc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102176 586592157 /nfs/dbraw/zinc/59/21/57/586592157.db2.gz CDWWWSGAVLPEAV-JTQLQIEISA-N 0 3 237.255 1.746 20 5 BDBDHN CC(COC(=O)[C@H]1CCCSC1)[N+](=O)[O-] ZINC000813102061 586592170 /nfs/dbraw/zinc/59/21/70/586592170.db2.gz AKDBUAULSWZIIS-YUMQZZPRSA-N 0 3 233.289 1.338 20 5 BDBDHN CC(C)CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102461 586592184 /nfs/dbraw/zinc/59/21/84/586592184.db2.gz FUEZXMPAAUCRMY-BDAKNGLRSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)C1(C)CCCC1)[N+](=O)[O-] ZINC000813106408 586592715 /nfs/dbraw/zinc/59/27/15/586592715.db2.gz CODJIUXJVNBXLG-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)CCCC(F)(F)F)[N+](=O)[O-] ZINC000813106233 586592741 /nfs/dbraw/zinc/59/27/41/586592741.db2.gz BBAPEJQRFWULHD-ZCFIWIBFSA-N 0 3 243.181 1.927 20 5 BDBDHN CC(COC(=O)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107654 586592860 /nfs/dbraw/zinc/59/28/60/586592860.db2.gz PUYWDDBBTHILQS-QMMMGPOBSA-N 0 3 241.218 1.577 20 5 BDBDHN CC(COC(=O)C1(C)CCOCC1)[N+](=O)[O-] ZINC000813107685 586592916 /nfs/dbraw/zinc/59/29/16/586592916.db2.gz UEKCYIAAMCWDOK-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)c1ccn(C(F)F)n1)[N+](=O)[O-] ZINC000813108654 586593145 /nfs/dbraw/zinc/59/31/45/586593145.db2.gz JIHSDYDODUZPAV-RXMQYKEDSA-N 0 3 249.173 1.100 20 5 BDBDHN CC(COC(=O)c1cn2ccccc2n1)[N+](=O)[O-] ZINC000813110186 586593341 /nfs/dbraw/zinc/59/33/41/586593341.db2.gz UMGFQDWQIKHULY-QMMMGPOBSA-N 0 3 249.226 1.156 20 5 BDBDHN CCc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112060 586593427 /nfs/dbraw/zinc/59/34/27/586593427.db2.gz ZBBAZDBYHPHRBV-MRVPVSSYSA-N 0 3 238.243 1.466 20 5 BDBDHN Cc1noc(C)c1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114288 586593822 /nfs/dbraw/zinc/59/38/22/586593822.db2.gz OSYYNVMKNKWLDS-ZCFIWIBFSA-N 0 3 242.231 1.042 20 5 BDBDHN CC(COC(=O)/C=C/c1ccsc1)[N+](=O)[O-] ZINC000813112946 586593844 /nfs/dbraw/zinc/59/38/44/586593844.db2.gz MLZRIVONEYGFQW-UFUPEUMYSA-N 0 3 241.268 1.970 20 5 BDBDHN CC(COC(=O)C[C@@H]1CCC(=O)[C@H]1C)[N+](=O)[O-] ZINC000813112792 586593850 /nfs/dbraw/zinc/59/38/50/586593850.db2.gz LIMCTUKOGPSZHO-CIUDSAMLSA-N 0 3 243.259 1.200 20 5 BDBDHN CC(COC(=O)c1sccc1F)[N+](=O)[O-] ZINC000816090870 586707358 /nfs/dbraw/zinc/70/73/58/586707358.db2.gz ARNJHBCIOFGCCC-YFKPBYRVSA-N 0 3 233.220 1.709 20 5 BDBDHN CC(COC(=O)c1ncoc1C1CC1)[N+](=O)[O-] ZINC000816091390 586707537 /nfs/dbraw/zinc/70/75/37/586707537.db2.gz VIDMMJYUWFCNDW-ZCFIWIBFSA-N 0 3 240.215 1.374 20 5 BDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000828987813 587477760 /nfs/dbraw/zinc/47/77/60/587477760.db2.gz LWGBFULVJHWFDZ-MFKMUULPSA-N 0 3 247.298 1.735 20 5 BDBDHN CC(COC(=O)CSC1CC1)[N+](=O)[O-] ZINC000835453644 587802810 /nfs/dbraw/zinc/80/28/10/587802810.db2.gz FFNWNUUCUGVCLK-LURJTMIESA-N 0 3 219.262 1.090 20 5 BDBDHN CC(COC(=O)C1=CC[C@H](C)CC1)[N+](=O)[O-] ZINC000835454623 587802983 /nfs/dbraw/zinc/80/29/83/587802983.db2.gz LENSILJWXIWAKF-IUCAKERBSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)C[C@@H](C)[C@H]1CCCO1)[N+](=O)[O-] ZINC000851036080 588584919 /nfs/dbraw/zinc/58/49/19/588584919.db2.gz FJIOQIWXFZRRFS-OPRDCNLKSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C[C@@H](C)C(F)(F)F)[N+](=O)[O-] ZINC000860777066 589119257 /nfs/dbraw/zinc/11/92/57/589119257.db2.gz KBAMDDKCMOTZIQ-PHDIDXHHSA-N 0 3 243.181 1.783 20 5 BDBDHN CC(COC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[N+](=O)[O-] ZINC000860777792 589119331 /nfs/dbraw/zinc/11/93/31/589119331.db2.gz WEBVNCIKJQKBGO-SQXHDICFSA-N 0 3 245.275 1.254 20 5 BDBDHN CC(COC(=O)[C@]12CCC[C@H]1OCC2)[N+](=O)[O-] ZINC000870376113 589661265 /nfs/dbraw/zinc/66/12/65/589661265.db2.gz AYVIVERLESYAAQ-KKZNHRDASA-N 0 3 243.259 1.154 20 5 BDBDHN CC(COC(=O)c1cnn(C(F)F)c1)[N+](=O)[O-] ZINC000870378043 589661346 /nfs/dbraw/zinc/66/13/46/589661346.db2.gz UNWZKZUNKQUXET-RXMQYKEDSA-N 0 3 249.173 1.100 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1[C@H]1C[C@H]1C)[N+](=O)[O-] ZINC000870378841 589661385 /nfs/dbraw/zinc/66/13/85/589661385.db2.gz YCGLGAQRGXEGFC-SQQIUAQRSA-N 0 3 227.260 1.487 20 5 BDBDHN Cc1c(CN[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000873140194 589986122 /nfs/dbraw/zinc/98/61/22/589986122.db2.gz LGAJRPRYEUMTDG-XYPYZODXSA-N 0 3 236.271 1.516 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886348782 592214430 /nfs/dbraw/zinc/21/44/30/592214430.db2.gz SSUOSBFKRWCWLC-AOOOYVTPSA-N 0 3 236.275 1.051 20 5 BDBDHN COCCNCc1cccc([N+](=O)[O-])c1C ZINC000035648606 633857096 /nfs/dbraw/zinc/85/70/96/633857096.db2.gz VPVAWAALNUQVPS-UHFFFAOYSA-N 0 3 224.260 1.639 20 5 BDBDHN Cc1c(CNC2(CO)CC2)cccc1[N+](=O)[O-] ZINC000143040133 636234704 /nfs/dbraw/zinc/23/47/04/636234704.db2.gz CEPVSUSNELKZKU-UHFFFAOYSA-N 0 3 236.271 1.518 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccc2cccnc21 ZINC000905031119 637577833 /nfs/dbraw/zinc/57/78/33/637577833.db2.gz LPBBVGRVJJLCBG-UHFFFAOYSA-N 0 3 245.282 1.644 20 5 BDBDHN COc1ccc([C@@H]2C[C@H]2NCC[N+](=O)[O-])cc1 ZINC000905247237 637707076 /nfs/dbraw/zinc/70/70/76/637707076.db2.gz IRWRGGQONZIQIX-NWDGAFQWSA-N 0 3 236.271 1.417 20 5 BDBDHN C[C@H](C[C@H](O)c1cccs1)NCC[N+](=O)[O-] ZINC000905368036 637789787 /nfs/dbraw/zinc/78/97/87/637789787.db2.gz XWMXGWFMNZZFMQ-BDAKNGLRSA-N 0 3 244.316 1.426 20 5 BDBDHN CC[C@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905415907 637803697 /nfs/dbraw/zinc/80/36/97/637803697.db2.gz TZJOMKUQJRSVHB-RYUDHWBXSA-N 0 3 238.287 1.365 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@]2(CC2(F)F)C1 ZINC000930861761 639954589 /nfs/dbraw/zinc/95/45/89/639954589.db2.gz DPHZDUPTMWBLEH-QMMMGPOBSA-N 0 3 220.219 1.384 20 5 BDBDHN CN1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000042546038 641553185 /nfs/dbraw/zinc/55/31/85/641553185.db2.gz BZBBMCWKPFASHM-SECBINFHSA-N 0 3 241.316 1.450 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000930180841 646483018 /nfs/dbraw/zinc/48/30/18/646483018.db2.gz XWQDZKAAZSFACC-NEPJUHHUSA-N 0 3 242.319 1.402 20 5 BDBDHN Cc1cc(O[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001228832848 963896102 /nfs/dbraw/zinc/89/61/02/963896102.db2.gz FDZHQMOJOKFEGP-NSHDSACASA-N 0 3 236.271 1.986 20 5 BDBDHN Cc1cnc(N2CCNC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001158933009 963960534 /nfs/dbraw/zinc/96/05/34/963960534.db2.gz HTMQPDOYBIXQNJ-UHFFFAOYSA-N 0 3 248.286 1.240 20 5 BDBDHN Cc1cc(CN)nn1-c1c(C)cccc1[N+](=O)[O-] ZINC001163985023 968151252 /nfs/dbraw/zinc/15/12/52/968151252.db2.gz GSKNJFWFDLPZGW-UHFFFAOYSA-N 0 3 246.270 1.856 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2Cc3cccnc3C2)C1 ZINC001169007726 969332561 /nfs/dbraw/zinc/33/25/61/969332561.db2.gz PUSXYNLPTYRKHN-ZYHUDNBSSA-N 0 3 247.298 1.843 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCN(C)C1 ZINC001226996414 975211636 /nfs/dbraw/zinc/21/16/36/975211636.db2.gz RIGAXKQVJUGDON-NSHDSACASA-N 0 3 236.271 1.986 20 5 BDBDHN CC1(C)CCN(CC[N+](=O)[O-])CCS1 ZINC001333044340 975386153 /nfs/dbraw/zinc/38/61/53/975386153.db2.gz HQYOTYIBNPXPLL-UHFFFAOYSA-N 0 3 218.322 1.481 20 5 BDBDHN CCN1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988088 975834935 /nfs/dbraw/zinc/83/49/35/975834935.db2.gz NQEAPIKQZPVFJN-JTQLQIEISA-N 0 3 237.259 1.463 20 5 BDBDHN O=[N+]([O-])CCN1CC[C@H](Cc2ccccc2)C1 ZINC001334604945 976566633 /nfs/dbraw/zinc/56/66/33/976566633.db2.gz WBRUHXNWCWMOAK-CYBMUJFWSA-N 0 3 234.299 1.828 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C)C1 ZINC001228915639 976581637 /nfs/dbraw/zinc/58/16/37/976581637.db2.gz IIMKJWHRCZZKEX-LLVKDONJSA-N 0 3 236.271 1.986 20 5 BDBDHN C[C@H](NC(=O)C1(N)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001341107563 979235859 /nfs/dbraw/zinc/23/58/59/979235859.db2.gz GLGYPDZEUZYMDR-QMMMGPOBSA-N 0 3 249.270 1.263 20 5 BDBDHN CCCCO[C@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930441656 984955319 /nfs/dbraw/zinc/95/53/19/984955319.db2.gz NWJRSVNCBAUSFY-MNOVXSKESA-N 0 3 244.335 1.837 20 5 BDBDHN CC(COC(=O)c1cc2cccn2cn1)[N+](=O)[O-] ZINC001515231516 989003681 /nfs/dbraw/zinc/00/36/81/989003681.db2.gz ZKMUEDZAEHDHSG-MRVPVSSYSA-N 0 3 249.226 1.156 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCC2)cc1 ZINC000134519227 342860862 /nfs/dbraw/zinc/86/08/62/342860862.db2.gz MGXODKZJVXVITF-UHFFFAOYSA-N 0 3 236.271 1.599 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCC1(CO)CC1 ZINC000118906780 343539356 /nfs/dbraw/zinc/53/93/56/343539356.db2.gz SBSCLODLFLCRPY-UHFFFAOYSA-N 0 3 236.271 1.457 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(SCCN(C)C)n1 ZINC000178256313 346950402 /nfs/dbraw/zinc/95/04/02/346950402.db2.gz FTEYUOUIYCPFGQ-UHFFFAOYSA-N 0 3 241.316 1.952 20 5 BDBDHN Cc1ccc(CNC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000088195634 178609741 /nfs/dbraw/zinc/60/97/41/178609741.db2.gz JUDLYNMMCJFRCT-SECBINFHSA-N 0 3 238.287 1.621 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCC[C@@H]32)c1 ZINC000610762461 344151622 /nfs/dbraw/zinc/15/16/22/344151622.db2.gz GLKRWAYKZXWIPK-ONGXEEELSA-N 0 3 236.275 1.276 20 5 BDBDHN CN1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000221254900 344711910 /nfs/dbraw/zinc/71/19/10/344711910.db2.gz DPWMMDGQVPCLOY-VIFPVBQESA-N 0 3 236.275 1.496 20 5 BDBDHN CC1(C)CN(c2ncc([N+](=O)[O-])s2)CCN1 ZINC000226766655 345241638 /nfs/dbraw/zinc/24/16/38/345241638.db2.gz MHQFWZGTYDDAPC-UHFFFAOYSA-N 0 3 242.304 1.240 20 5 BDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000116950998 345677382 /nfs/dbraw/zinc/67/73/82/345677382.db2.gz PGIMSBPAYDNSHJ-UHFFFAOYSA-N 0 3 223.276 1.593 20 5 BDBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000083662428 537918987 /nfs/dbraw/zinc/91/89/87/537918987.db2.gz DEVSGOWTZGBNKU-VIFPVBQESA-N 0 3 238.287 1.844 20 5 BDBDHN CC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000574917385 346410734 /nfs/dbraw/zinc/41/07/34/346410734.db2.gz UZTKXJPCDNHRRC-SECBINFHSA-N 0 3 249.270 1.221 20 5 BDBDHN C[C@H](CCO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000593109110 347860704 /nfs/dbraw/zinc/86/07/04/347860704.db2.gz IEIJSDMQVABVEZ-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1C[C@H](O)C1 ZINC000595000340 348168522 /nfs/dbraw/zinc/16/85/22/348168522.db2.gz FMBCUOSSPFMXOZ-GNBMTSKZSA-N 0 3 248.282 1.721 20 5 BDBDHN C[C@@H](NC/C=C\CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073146 348188892 /nfs/dbraw/zinc/18/88/92/348188892.db2.gz SKJZGROZCHVMGL-MXQLGCADSA-N 0 3 236.271 1.794 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCC2COC2)c(F)c1 ZINC000599010698 349075627 /nfs/dbraw/zinc/07/56/27/349075627.db2.gz VQOVOVJCMKAWLI-UHFFFAOYSA-N 0 3 240.234 1.470 20 5 BDBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000386911859 363060951 /nfs/dbraw/zinc/06/09/51/363060951.db2.gz QCDSLFCLSMTTCH-CABZTGNLSA-N 0 3 238.287 1.844 20 5 BDBDHN CN(C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413026438 191343852 /nfs/dbraw/zinc/34/38/52/191343852.db2.gz VBHZRYNBZLMTSU-UHFFFAOYSA-N 0 3 228.227 1.102 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCOC1 ZINC000037738378 364558958 /nfs/dbraw/zinc/55/89/58/364558958.db2.gz AYIZDKZABOCNKF-JTQLQIEISA-N 0 3 236.271 1.721 20 5 BDBDHN Cc1ccc(NC(=O)[C@@H](C)N)cc1[N+](=O)[O-] ZINC000019435486 371145914 /nfs/dbraw/zinc/14/59/14/371145914.db2.gz ZYZYDVUJNMDGDN-SSDOTTSWSA-N 0 3 223.232 1.189 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCCO)c1 ZINC000020188464 371242062 /nfs/dbraw/zinc/24/20/62/371242062.db2.gz VPVBVIMTAIOJMV-UHFFFAOYSA-N 0 3 210.233 1.067 20 5 BDBDHN CN(C)CCSc1ncc(F)cc1[N+](=O)[O-] ZINC000601127631 371728550 /nfs/dbraw/zinc/72/85/50/371728550.db2.gz LRJWVJXOORDDGA-UHFFFAOYSA-N 0 3 245.279 1.783 20 5 BDBDHN CC[C@H](C)[C@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602806100 371843134 /nfs/dbraw/zinc/84/31/34/371843134.db2.gz OXROWNZDOJGVRJ-IUCAKERBSA-N 0 3 240.307 1.853 20 5 BDBDHN Cn1cc(CNC2(C3CC3)CC2)c([N+](=O)[O-])n1 ZINC000602808000 371842635 /nfs/dbraw/zinc/84/26/35/371842635.db2.gz XVXPJECQHPJHAK-UHFFFAOYSA-N 0 3 236.275 1.361 20 5 BDBDHN C[C@@H](CO)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000123225839 384452967 /nfs/dbraw/zinc/45/29/67/384452967.db2.gz SVCOHLUHENLJET-VHSXEESVSA-N 0 3 238.287 1.701 20 5 BDBDHN CC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000096478385 384462375 /nfs/dbraw/zinc/46/23/75/384462375.db2.gz QEQQWDXFHPQGKF-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1c([C@H](C)NCCCO)cccc1[N+](=O)[O-] ZINC000268705181 387299157 /nfs/dbraw/zinc/29/91/57/387299157.db2.gz HSPBVEGJGLXWGW-JTQLQIEISA-N 0 3 238.287 1.936 20 5 BDBDHN C[C@H](NCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177139 388191365 /nfs/dbraw/zinc/19/13/65/388191365.db2.gz RBWDUWKAGHFJAN-VIFPVBQESA-N 0 3 224.260 1.628 20 5 BDBDHN C[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766517 388642201 /nfs/dbraw/zinc/64/22/01/388642201.db2.gz XWEQJADSMKZYHX-SFYZADRCSA-N 0 3 237.259 1.119 20 5 BDBDHN CC(C)[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000092392203 388733971 /nfs/dbraw/zinc/73/39/71/388733971.db2.gz BCBSQVUZXYESPG-LLVKDONJSA-N 0 3 238.287 1.701 20 5 BDBDHN CCN(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496305 388730487 /nfs/dbraw/zinc/73/04/87/388730487.db2.gz DSBKQHZBXJURQJ-UHFFFAOYSA-N 0 3 238.291 1.662 20 5 BDBDHN CN(C)CCN(C)c1sccc1[N+](=O)[O-] ZINC000302043524 388837939 /nfs/dbraw/zinc/83/79/39/388837939.db2.gz XFJHMYLBSCUDIM-UHFFFAOYSA-N 0 3 229.305 1.654 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN[C@@H](C)C1 ZINC000122804351 132227831 /nfs/dbraw/zinc/22/78/31/132227831.db2.gz FULVWBBIIAOWKT-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN Cc1ccnc(N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000070495721 132231198 /nfs/dbraw/zinc/23/11/98/132231198.db2.gz MYWYWSWIRZJEMK-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CCNCC1 ZINC000036226497 132318675 /nfs/dbraw/zinc/31/86/75/132318675.db2.gz IUMIFSPGRIWQRC-UHFFFAOYSA-N 0 3 242.666 1.053 20 5 BDBDHN Cc1cc(N2CCNC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000261538177 135175363 /nfs/dbraw/zinc/17/53/63/135175363.db2.gz NOJXRTUWDPWANP-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN CC[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000096478705 171184711 /nfs/dbraw/zinc/18/47/11/171184711.db2.gz NGOVTGGLYJNXFC-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN CN1CC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000037647725 173116695 /nfs/dbraw/zinc/11/66/95/173116695.db2.gz ROGIRVSPWKTEPS-VIFPVBQESA-N 0 3 236.275 1.353 20 5 BDBDHN COCCCNCc1ccccc1[N+](=O)[O-] ZINC000020142835 174248470 /nfs/dbraw/zinc/24/84/70/174248470.db2.gz VQZPYOLGOJZGSN-UHFFFAOYSA-N 0 3 224.260 1.721 20 5 BDBDHN C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176189277 176099085 /nfs/dbraw/zinc/09/90/85/176099085.db2.gz UQKMZKCCQUJFPL-SNVBAGLBSA-N 0 3 238.291 1.523 20 5 BDBDHN C[C@H]1CN(C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014213 177236106 /nfs/dbraw/zinc/23/61/06/177236106.db2.gz KFIQJDUNZNBFRE-GWCFXTLKSA-N 0 3 249.314 1.635 20 5 BDBDHN CC(COC(=O)[C@H](C)CC(F)(F)F)[N+](=O)[O-] ZINC000838965693 585082501 /nfs/dbraw/zinc/08/25/01/585082501.db2.gz WQXHKBFJTKNZPC-PHDIDXHHSA-N 0 3 243.181 1.783 20 5 BDBDHN CC(COC(=O)c1cccs1)[N+](=O)[O-] ZINC000813112460 586593826 /nfs/dbraw/zinc/59/38/26/586593826.db2.gz QEEIAKWERHFZAH-ZCFIWIBFSA-N 0 3 215.230 1.570 20 5 BDBDHN C[C@@H]1C[C@@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000548097562 325429463 /nfs/dbraw/zinc/42/94/63/325429463.db2.gz PWDQDCHGIKWRTG-RKDXNWHRSA-N 0 3 224.264 1.274 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCCS1)[N+](=O)[O-] ZINC000813106709 582582081 /nfs/dbraw/zinc/58/20/81/582582081.db2.gz GBWRAWHCIOHMIM-YUMQZZPRSA-N 0 3 233.289 1.481 20 5 BDBDHN Cc1cc(F)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103519 582580942 /nfs/dbraw/zinc/58/09/42/582580942.db2.gz CQHHDYBUDVGECK-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN CC(COC(=O)CCOCC1CC1)[N+](=O)[O-] ZINC000813106845 582582675 /nfs/dbraw/zinc/58/26/75/582582675.db2.gz IQXSQIVZUIEPBF-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)c1cnc(C2CC2)o1)[N+](=O)[O-] ZINC000893046902 583037979 /nfs/dbraw/zinc/03/79/79/583037979.db2.gz HDWAIJFELHBINK-LURJTMIESA-N 0 3 240.215 1.374 20 5 BDBDHN CC(COC(=O)C1=CCCCC1)[N+](=O)[O-] ZINC000813101817 582580006 /nfs/dbraw/zinc/58/00/06/582580006.db2.gz JIUHDDNXZXJFSF-QMMMGPOBSA-N 0 3 213.233 1.695 20 5 BDBDHN CN1C[C@H]2[C@@H](CCN2c2ccccc2[N+](=O)[O-])C1 ZINC000893941706 583254700 /nfs/dbraw/zinc/25/47/00/583254700.db2.gz VORIBYADGCBUAV-GWCFXTLKSA-N 0 3 247.298 1.735 20 5 BDBDHN CN(C)[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899859471 584242498 /nfs/dbraw/zinc/24/24/98/584242498.db2.gz KFSQKCWOWRUYMC-LBPRGKRZSA-N 0 3 237.303 1.156 20 5 BDBDHN C[C@H](CCc1ccccc1)NCC[N+](=O)[O-] ZINC000899856883 584244053 /nfs/dbraw/zinc/24/40/53/584244053.db2.gz XFWJIEOMMBNNFQ-LLVKDONJSA-N 0 3 222.288 1.874 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CC2)cc1 ZINC000734163234 584959236 /nfs/dbraw/zinc/95/92/36/584959236.db2.gz DAYPCAIONPXRHH-GFCCVEGCSA-N 0 3 236.271 1.455 20 5 BDBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000838965526 585082463 /nfs/dbraw/zinc/08/24/63/585082463.db2.gz SMBLZMMJYFBODQ-VIFPVBQESA-N 0 3 245.275 1.402 20 5 BDBDHN CC(C)(C)CCN1CCN(CC[N+](=O)[O-])CC1 ZINC000791054209 585973023 /nfs/dbraw/zinc/97/30/23/585973023.db2.gz YRBZIIBENRWHDF-UHFFFAOYSA-N 0 3 243.351 1.317 20 5 BDBDHN CCOC1CC(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813102405 586591915 /nfs/dbraw/zinc/59/19/15/586591915.db2.gz RBLFFOGIGRLNTC-AFPNSQJFSA-N 0 3 231.248 1.010 20 5 BDBDHN COCc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813101771 586591971 /nfs/dbraw/zinc/59/19/71/586591971.db2.gz IKYKMILXKJJWPQ-ZETCQYMHSA-N 0 3 243.215 1.248 20 5 BDBDHN CC(COC(=O)Cc1cccs1)[N+](=O)[O-] ZINC000813109164 586592253 /nfs/dbraw/zinc/59/22/53/586592253.db2.gz ORUSBZCTNDHRHA-ZETCQYMHSA-N 0 3 229.257 1.499 20 5 BDBDHN CC(COC(=O)CCc1cccnc1)[N+](=O)[O-] ZINC000813105525 586592440 /nfs/dbraw/zinc/59/24/40/586592440.db2.gz NYEZANUIVVMDFJ-SECBINFHSA-N 0 3 238.243 1.223 20 5 BDBDHN CC(COC(=O)[C@H]1CCCOCC1)[N+](=O)[O-] ZINC000813103745 586592466 /nfs/dbraw/zinc/59/24/66/586592466.db2.gz SFXZSGGZJWJHCE-BDAKNGLRSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)C[C@@H]1C=CCCC1)[N+](=O)[O-] ZINC000813104759 586592496 /nfs/dbraw/zinc/59/24/96/586592496.db2.gz GVEXDJBUETUHTP-VHSXEESVSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)CCc1cccnc1)[N+](=O)[O-] ZINC000813105526 586592518 /nfs/dbraw/zinc/59/25/18/586592518.db2.gz NYEZANUIVVMDFJ-VIFPVBQESA-N 0 3 238.243 1.223 20 5 BDBDHN CC(COC(=O)c1ocnc1C1CC1)[N+](=O)[O-] ZINC000813109938 586593019 /nfs/dbraw/zinc/59/30/19/586593019.db2.gz XQCHYXFXSREJGN-ZCFIWIBFSA-N 0 3 240.215 1.374 20 5 BDBDHN CC(COC(=O)c1ccn(C(F)F)n1)[N+](=O)[O-] ZINC000813108655 586593157 /nfs/dbraw/zinc/59/31/57/586593157.db2.gz JIHSDYDODUZPAV-YFKPBYRVSA-N 0 3 249.173 1.100 20 5 BDBDHN CCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813110638 586593425 /nfs/dbraw/zinc/59/34/25/586593425.db2.gz GEHWXYDLWFTFJZ-QMMMGPOBSA-N 0 3 241.247 1.115 20 5 BDBDHN Cc1ccc([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813114672 586593886 /nfs/dbraw/zinc/59/38/86/586593886.db2.gz FOCNVAFJOSIEHX-VXNVDRBHSA-N 0 3 241.243 1.900 20 5 BDBDHN COc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112784 586593946 /nfs/dbraw/zinc/59/39/46/586593946.db2.gz LFDGZTNPFZMMJT-MRVPVSSYSA-N 0 3 239.227 1.517 20 5 BDBDHN CC(COC(=O)CCCOC(C)(C)C)[N+](=O)[O-] ZINC000813113598 586593959 /nfs/dbraw/zinc/59/39/59/586593959.db2.gz GTSGEYHBAPNJRL-VIFPVBQESA-N 0 3 247.291 1.790 20 5 BDBDHN CC(COC(=O)/C=C/c1ccsc1)[N+](=O)[O-] ZINC000813112945 586594012 /nfs/dbraw/zinc/59/40/12/586594012.db2.gz MLZRIVONEYGFQW-SGJFDWMWSA-N 0 3 241.268 1.970 20 5 BDBDHN CC(COC(=O)CCc1cncs1)[N+](=O)[O-] ZINC000816091453 586707299 /nfs/dbraw/zinc/70/72/99/586707299.db2.gz XRUIYQQQQFKPHP-SSDOTTSWSA-N 0 3 244.272 1.284 20 5 BDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000816091235 586707450 /nfs/dbraw/zinc/70/74/50/586707450.db2.gz OXIZTFKIOLZREJ-YFKPBYRVSA-N 0 3 228.204 1.113 20 5 BDBDHN CC(COC(=O)C(F)=C1CCCC1)[N+](=O)[O-] ZINC000816091494 586707516 /nfs/dbraw/zinc/70/75/16/586707516.db2.gz YYXISWKMQQTWPP-ZETCQYMHSA-N 0 3 231.223 1.992 20 5 BDBDHN CC(COC(=O)C[C@H](C)n1cccn1)[N+](=O)[O-] ZINC000821166443 587099706 /nfs/dbraw/zinc/09/97/06/587099706.db2.gz BXHUSTARUPBRFT-IUCAKERBSA-N 0 3 241.247 1.043 20 5 BDBDHN CCC[C@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453313 587802797 /nfs/dbraw/zinc/80/27/97/587802797.db2.gz ADWDKJUWNISSCZ-YUMQZZPRSA-N 0 3 219.237 1.010 20 5 BDBDHN Cc1ccoc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000851035975 588585526 /nfs/dbraw/zinc/58/55/26/588585526.db2.gz CUURXBNKOFPMJB-MRVPVSSYSA-N 0 3 227.216 1.339 20 5 BDBDHN CC(COC(=O)c1cnn(C2CC2)c1)[N+](=O)[O-] ZINC000860777091 589119390 /nfs/dbraw/zinc/11/93/90/589119390.db2.gz KKJUMKMVZQLORR-SSDOTTSWSA-N 0 3 239.231 1.040 20 5 BDBDHN CC(COC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[N+](=O)[O-] ZINC000860777789 589119406 /nfs/dbraw/zinc/11/94/06/589119406.db2.gz WEBVNCIKJQKBGO-HOTMZDKISA-N 0 3 245.275 1.254 20 5 BDBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000870377067 589661453 /nfs/dbraw/zinc/66/14/53/589661453.db2.gz OMTOYJDZLCDQAC-LURJTMIESA-N 0 3 245.256 1.824 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H](C)O[C@H]1C)[N+](=O)[O-] ZINC000870378331 589661591 /nfs/dbraw/zinc/66/15/91/589661591.db2.gz VPEXUCJAKAFNDC-KZVJFYERSA-N 0 3 231.248 1.008 20 5 BDBDHN C[S@](=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000124188457 589959436 /nfs/dbraw/zinc/95/94/36/589959436.db2.gz OFYXVROCBQFHOC-MRXNPFEDSA-N 0 3 242.300 1.063 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](C)CO ZINC000873020282 589979849 /nfs/dbraw/zinc/97/98/49/589979849.db2.gz MMEVFDVDQTWPJS-SECBINFHSA-N 0 3 238.287 1.682 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(Cl)s1 ZINC000905048323 637567777 /nfs/dbraw/zinc/56/77/77/637567777.db2.gz DSWNNGBNGVXSTC-UHFFFAOYSA-N 0 3 234.708 1.810 20 5 BDBDHN Cc1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905084165 637582167 /nfs/dbraw/zinc/58/21/67/637582167.db2.gz XNCOLNOTGCMJIL-UHFFFAOYSA-N 0 3 208.261 1.404 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905095764 637634488 /nfs/dbraw/zinc/63/44/88/637634488.db2.gz FWTYOOCROYHGGA-UHFFFAOYSA-N 0 3 240.278 1.970 20 5 BDBDHN Cc1ccsc1CCNCC[N+](=O)[O-] ZINC000905196691 637674427 /nfs/dbraw/zinc/67/44/27/637674427.db2.gz RTKCTLXKFSACHP-UHFFFAOYSA-N 0 3 214.290 1.465 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCC2(CCCCC2)O1 ZINC000905229863 637690417 /nfs/dbraw/zinc/69/04/17/637690417.db2.gz KRWIISKHJGMUTM-LLVKDONJSA-N 0 3 242.319 1.735 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(F)c(F)c1 ZINC000905230343 637690584 /nfs/dbraw/zinc/69/05/84/637690584.db2.gz PKVYLXXAPPRQQQ-UHFFFAOYSA-N 0 3 230.214 1.374 20 5 BDBDHN COC1(CNCC[N+](=O)[O-])CCC(C)CC1 ZINC000905248180 637706904 /nfs/dbraw/zinc/70/69/04/637706904.db2.gz NSCWYUHYFFYZBL-UHFFFAOYSA-N 0 3 230.308 1.448 20 5 BDBDHN C[C@@H](C[C@H](O)c1cccs1)NCC[N+](=O)[O-] ZINC000905368038 637789931 /nfs/dbraw/zinc/78/99/31/637789931.db2.gz XWMXGWFMNZZFMQ-IUCAKERBSA-N 0 3 244.316 1.426 20 5 BDBDHN CC[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905415905 637803012 /nfs/dbraw/zinc/80/30/12/637803012.db2.gz TZJOMKUQJRSVHB-NEPJUHHUSA-N 0 3 238.287 1.365 20 5 BDBDHN CC1(C)CCC[C@H](CNCC[N+](=O)[O-])O1 ZINC000905683709 637889530 /nfs/dbraw/zinc/88/95/30/637889530.db2.gz QYLAKKLSGRFMCD-SECBINFHSA-N 0 3 216.281 1.200 20 5 BDBDHN CC(C)[C@H](CC(F)(F)F)NCC[N+](=O)[O-] ZINC000930248351 639655621 /nfs/dbraw/zinc/65/56/21/639655621.db2.gz IMHNZIGRIUYBOK-ZETCQYMHSA-N 0 3 228.214 1.830 20 5 BDBDHN CC(C)O[C@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930629200 639830634 /nfs/dbraw/zinc/83/06/34/639830634.db2.gz SMCOWQZEUFJSQS-UWVGGRQHSA-N 0 3 230.308 1.445 20 5 BDBDHN C/C=C/C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931339152 640164356 /nfs/dbraw/zinc/16/43/56/640164356.db2.gz VXLGDTCQLAPIHV-KXMPLOMGSA-N 0 3 212.293 1.941 20 5 BDBDHN CCS[C@H]1CC[C@@H](N(C)CC[N+](=O)[O-])C1 ZINC000929749391 646280833 /nfs/dbraw/zinc/28/08/33/646280833.db2.gz KNQFJTJPOICINE-ZJUUUORDSA-N 0 3 232.349 1.869 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000930180844 646482023 /nfs/dbraw/zinc/48/20/23/646482023.db2.gz XWQDZKAAZSFACC-RYUDHWBXSA-N 0 3 242.319 1.402 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC23CC(O)C3)cc1 ZINC000724931365 711630457 /nfs/dbraw/zinc/63/04/57/711630457.db2.gz NGJKQUBZSNLMFC-CPCZMJQVSA-N 0 3 248.282 1.598 20 5 BDBDHN Cc1c(CN[C@@H]2CC[C@H]2O)cccc1[N+](=O)[O-] ZINC000704036425 712099250 /nfs/dbraw/zinc/09/92/50/712099250.db2.gz CLMPSYXDFHDRLQ-ZYHUDNBSSA-N 0 3 236.271 1.516 20 5 BDBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000719575545 712811723 /nfs/dbraw/zinc/81/17/23/712811723.db2.gz PSFAYFBVOYILHU-WCBMZHEXSA-N 0 3 236.275 1.494 20 5 BDBDHN CC(COC(=O)[C@H]1CCOC(C)(C)C1)[N+](=O)[O-] ZINC001343663808 980171603 /nfs/dbraw/zinc/17/16/03/980171603.db2.gz KVBBFXZZOXGNCD-IUCAKERBSA-N 0 3 245.275 1.400 20 5 BDBDHN O=[N+]([O-])c1cccc(N[C@H]2CN3CCC2CC3)n1 ZINC001155663182 963149123 /nfs/dbraw/zinc/14/91/23/963149123.db2.gz ZFTIKHUYLYDZCB-JTQLQIEISA-N 0 3 248.286 1.496 20 5 BDBDHN Cc1cc(CN)nn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968228 969321387 /nfs/dbraw/zinc/32/13/87/969321387.db2.gz XOMBVGYOPXKZAW-ONGXEEELSA-N 0 3 238.291 1.268 20 5 BDBDHN C[C@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169038215 969355440 /nfs/dbraw/zinc/35/54/40/969355440.db2.gz XCIULFPSKWZYKC-FIQHERPVSA-N 0 3 242.319 1.541 20 5 BDBDHN CC1(C)COCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037700 969358731 /nfs/dbraw/zinc/35/87/31/969358731.db2.gz SXMMAXQIQCWPLK-GHMZBOCLSA-N 0 3 242.319 1.543 20 5 BDBDHN Cc1nc(O[C@H](C)C[N+](C)(C)C)c(C)c(=O)[n-]1 ZINC001229690539 976947285 /nfs/dbraw/zinc/94/72/85/976947285.db2.gz PJGOTEQJIQEUOE-MRVPVSSYSA-O 0 3 240.327 1.273 20 5 BDBDHN CN1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857998 978715731 /nfs/dbraw/zinc/71/57/31/978715731.db2.gz QPEKAZWJMCTYDP-JTQLQIEISA-N 0 3 237.259 1.463 20 5 BDBDHN CC(COC(=O)[C@]12C[C@H]1CCC2)[N+](=O)[O-] ZINC001343663078 980181336 /nfs/dbraw/zinc/18/13/36/980181336.db2.gz BKDBXGUEPMMVJE-NQMVMOMDSA-N 0 3 213.233 1.385 20 5 BDBDHN CNCC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001343681688 980188774 /nfs/dbraw/zinc/18/87/74/980188774.db2.gz QINRXARRFHKLJI-UHFFFAOYSA-N 0 3 223.232 1.061 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]2C[C@H]2C[C@H]1C)[N+](=O)[O-] ZINC001344808836 980471768 /nfs/dbraw/zinc/47/17/68/980471768.db2.gz UTXCAEJSGQKNPA-RCZSTQMZSA-N 0 3 241.287 1.877 20 5 BDBDHN CC(COC(=O)[C@@H]1[C@@H](C)C1(F)F)[N+](=O)[O-] ZINC001518857254 989347855 /nfs/dbraw/zinc/34/78/55/989347855.db2.gz XWFSDADAXLLXIG-JKUQZMGJSA-N 0 3 223.175 1.096 20 5 BDBDHN C[C@@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252198 990306789 /nfs/dbraw/zinc/30/67/89/990306789.db2.gz MOTDCNXDLOAQHI-HTQZYQBOSA-N 0 3 237.259 1.119 20 5 BDBDHN Cc1cc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000035277276 178159420 /nfs/dbraw/zinc/15/94/20/178159420.db2.gz HDJROJYDYHDIJJ-UHFFFAOYSA-N 0 3 223.276 1.877 20 5 BDBDHN C[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000035602413 343299178 /nfs/dbraw/zinc/29/91/78/343299178.db2.gz VOYYWLSQGMWMKN-QMMMGPOBSA-N 0 3 210.233 1.065 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCO ZINC000159696424 323044158 /nfs/dbraw/zinc/04/41/58/323044158.db2.gz KEHREIPOZWFOKC-VIFPVBQESA-N 0 3 224.260 1.546 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCCCO)c1 ZINC000040744111 343408976 /nfs/dbraw/zinc/40/89/76/343408976.db2.gz SUSYWCWHMMPNFC-UHFFFAOYSA-N 0 3 224.260 1.457 20 5 BDBDHN Cc1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000271718460 178713011 /nfs/dbraw/zinc/71/30/11/178713011.db2.gz JAAYMZQXLQRXJW-UHFFFAOYSA-N 0 3 235.287 1.653 20 5 BDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCO ZINC000078634888 344892870 /nfs/dbraw/zinc/89/28/70/344892870.db2.gz WAHOMOKYHDKGNB-SECBINFHSA-N 0 3 224.260 1.580 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)CCF)c1 ZINC000593688293 347927652 /nfs/dbraw/zinc/92/76/52/347927652.db2.gz FMYUREGXFDDCEV-JTQLQIEISA-N 0 3 242.250 1.405 20 5 BDBDHN Cc1ccc(CNC/C=C\CO)cc1[N+](=O)[O-] ZINC000594973510 348161888 /nfs/dbraw/zinc/16/18/88/348161888.db2.gz DRFBBAHRQHFSGW-IHWYPQMZSA-N 0 3 236.271 1.541 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC/C=C\CO ZINC000595071627 348188772 /nfs/dbraw/zinc/18/87/72/348188772.db2.gz POZBBLOBZZAZCP-BIOMNHJASA-N 0 3 248.282 1.720 20 5 BDBDHN C[C@@H](O)C1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000597233955 348700543 /nfs/dbraw/zinc/70/05/43/348700543.db2.gz DMUPRKZZGJHTOI-SECBINFHSA-N 0 3 236.271 1.598 20 5 BDBDHN Cc1nc(NC[C@H](C)N(C)C)ncc1[N+](=O)[O-] ZINC000296215064 180019268 /nfs/dbraw/zinc/01/92/68/180019268.db2.gz CUPNMCZOWINRGL-ZETCQYMHSA-N 0 3 239.279 1.055 20 5 BDBDHN CC(C)[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000134697536 191108692 /nfs/dbraw/zinc/10/86/92/191108692.db2.gz VCERSWLJCNVUSN-GFCCVEGCSA-N 0 3 238.287 1.701 20 5 BDBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000386911862 363060900 /nfs/dbraw/zinc/06/09/00/363060900.db2.gz QCDSLFCLSMTTCH-JOYOIKCWSA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H](O)C2)c1 ZINC000449747791 202019792 /nfs/dbraw/zinc/01/97/92/202019792.db2.gz KFPKCIJSRSDMTA-JGZJWPJOSA-N 0 3 222.244 1.208 20 5 BDBDHN C[C@@H](CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000088195093 356586184 /nfs/dbraw/zinc/58/61/84/356586184.db2.gz WXHLBYKRVOOHOA-SECBINFHSA-N 0 3 224.260 1.313 20 5 BDBDHN CSCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000152533163 359477173 /nfs/dbraw/zinc/47/71/73/359477173.db2.gz IMMFUFGFFRDINR-UHFFFAOYSA-N 0 3 244.320 1.086 20 5 BDBDHN Cc1c(NC(=O)CNC2CC2)cccc1[N+](=O)[O-] ZINC000037386765 363845167 /nfs/dbraw/zinc/84/51/67/363845167.db2.gz DCMUAVOPGSDHDU-UHFFFAOYSA-N 0 3 249.270 1.594 20 5 BDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCOC2)cs1 ZINC000037739034 364559906 /nfs/dbraw/zinc/55/99/06/364559906.db2.gz RLXRCLCAVBTWTN-QMMMGPOBSA-N 0 3 242.300 1.782 20 5 BDBDHN C[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766518 364599482 /nfs/dbraw/zinc/59/94/82/364599482.db2.gz XWEQJADSMKZYHX-HTQZYQBOSA-N 0 3 237.259 1.119 20 5 BDBDHN CCN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394528 370869525 /nfs/dbraw/zinc/86/95/25/370869525.db2.gz ULTNALXRIDOELV-SECBINFHSA-N 0 3 224.264 1.448 20 5 BDBDHN C[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953449 369375667 /nfs/dbraw/zinc/37/56/67/369375667.db2.gz WENJHRWEMBZNBP-KOLCDFICSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@H](O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000078780265 370600910 /nfs/dbraw/zinc/60/09/10/370600910.db2.gz BDBUTAJYUUQBSD-VIFPVBQESA-N 0 3 224.260 1.455 20 5 BDBDHN CN1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000040672422 373586942 /nfs/dbraw/zinc/58/69/42/373586942.db2.gz CKJFGTKBCNWNOP-GFCCVEGCSA-N 0 3 249.314 1.779 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[C@H]1O ZINC000424202561 206036390 /nfs/dbraw/zinc/03/63/90/206036390.db2.gz PYIZGZQSCMZNPY-VXGBXAGGSA-N 0 3 236.271 1.516 20 5 BDBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)C2CC2)cs1 ZINC000070882353 384366846 /nfs/dbraw/zinc/36/68/46/384366846.db2.gz AJIFMOZETGNJKP-SECBINFHSA-N 0 3 242.300 1.517 20 5 BDBDHN CCN(CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351332 385135011 /nfs/dbraw/zinc/13/50/11/385135011.db2.gz GKJWRRQSWUCMDO-GFCCVEGCSA-N 0 3 238.287 1.970 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000130625448 385267088 /nfs/dbraw/zinc/26/70/88/385267088.db2.gz GHSPWHGXTRDBMA-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@@H](CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086624245 386079919 /nfs/dbraw/zinc/07/99/19/386079919.db2.gz IQVDQVZOUDOEIE-ZJUUUORDSA-N 0 3 238.287 1.874 20 5 BDBDHN CCOCCNCc1cccc([N+](=O)[O-])c1 ZINC000036228360 387883781 /nfs/dbraw/zinc/88/37/81/387883781.db2.gz VRADVJRXRDAPIO-UHFFFAOYSA-N 0 3 224.260 1.721 20 5 BDBDHN C[C@@H](CN(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000130256015 388002662 /nfs/dbraw/zinc/00/26/62/388002662.db2.gz FSGFOQIWTKSXQP-QMMMGPOBSA-N 0 3 243.332 1.696 20 5 BDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)CN1 ZINC000086471326 388102421 /nfs/dbraw/zinc/10/24/21/388102421.db2.gz RQVGDKNVMVATFC-RKDXNWHRSA-N 0 3 236.275 1.176 20 5 BDBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000354558858 388381032 /nfs/dbraw/zinc/38/10/32/388381032.db2.gz BNLPWQQNQGPILR-UHFFFAOYSA-N 0 3 248.286 1.664 20 5 BDBDHN C[C@@H](CO)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000077422249 388674894 /nfs/dbraw/zinc/67/48/94/388674894.db2.gz NYNGESMSLLGVFA-UWVGGRQHSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@@H](CO)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000077422238 388674985 /nfs/dbraw/zinc/67/49/85/388674985.db2.gz NYNGESMSLLGVFA-VHSXEESVSA-N 0 3 238.287 1.701 20 5 BDBDHN O=[N+]([O-])c1cc(CNCC2(O)CCC2)cs1 ZINC000123172341 388631227 /nfs/dbraw/zinc/63/12/27/388631227.db2.gz QZDBYYXCCSOTGZ-UHFFFAOYSA-N 0 3 242.300 1.661 20 5 BDBDHN C[C@@H](O)CCNCc1ccccc1[N+](=O)[O-] ZINC000078781238 388685701 /nfs/dbraw/zinc/68/57/01/388685701.db2.gz NDYDYBHPCDYOKF-SECBINFHSA-N 0 3 224.260 1.455 20 5 BDBDHN CC[C@](C)(CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000080108516 388706226 /nfs/dbraw/zinc/70/62/26/388706226.db2.gz BHCWYAMFVBSRDR-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@@H](CO)CNCc1csc([N+](=O)[O-])c1 ZINC000082285478 388724481 /nfs/dbraw/zinc/72/44/81/388724481.db2.gz XWDOCDKASSAUAD-SSDOTTSWSA-N 0 3 230.289 1.374 20 5 BDBDHN Cc1ccnc(NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000070495981 388729910 /nfs/dbraw/zinc/72/99/10/388729910.db2.gz WZWMRZSVNAFGHP-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN CN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022798833 173019381 /nfs/dbraw/zinc/01/93/81/173019381.db2.gz PRGFHJTXOUUKAQ-UHFFFAOYSA-N 0 3 236.275 1.132 20 5 BDBDHN CN1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000122040282 173034815 /nfs/dbraw/zinc/03/48/15/173034815.db2.gz CRSYGYDBRGVXBZ-CYBMUJFWSA-N 0 3 249.314 1.779 20 5 BDBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000226770085 173146791 /nfs/dbraw/zinc/14/67/91/173146791.db2.gz LMAPMKRZGWCECL-SSDOTTSWSA-N 0 3 242.304 1.415 20 5 BDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157321412 176099631 /nfs/dbraw/zinc/09/96/31/176099631.db2.gz CPSWHYPAHBIAAQ-SNVBAGLBSA-N 0 3 238.291 1.523 20 5 BDBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000293520261 177256712 /nfs/dbraw/zinc/25/67/12/177256712.db2.gz VZJITJKRYKSLIC-IUCAKERBSA-N 0 3 224.264 1.132 20 5 BDBDHN CC(COC(=O)CC1(C)CC1)[N+](=O)[O-] ZINC000813110365 586592961 /nfs/dbraw/zinc/59/29/61/586592961.db2.gz YWTMUCPBGAYYME-SSDOTTSWSA-N 0 3 201.222 1.385 20 5 BDBDHN CS[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111082 586593573 /nfs/dbraw/zinc/59/35/73/586593573.db2.gz CATMOXGSDLEWGB-RQJHMYQMSA-N 0 3 221.278 1.336 20 5 BDBDHN COc1cccc([N+](=O)[O-])c1NCCN(C)C ZINC000567486844 326202765 /nfs/dbraw/zinc/20/27/65/326202765.db2.gz WKWNYHGCCQURNO-UHFFFAOYSA-N 0 3 239.275 1.577 20 5 BDBDHN CC[C@H](C)[C@@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106983 582583388 /nfs/dbraw/zinc/58/33/88/582583388.db2.gz JJXZWSXMBPCKTJ-XHNCKOQMSA-N 0 3 233.264 1.256 20 5 BDBDHN COC[C@H](C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112986 582589964 /nfs/dbraw/zinc/58/99/64/582589964.db2.gz NCSNUWSUXFGSDE-DJLDLDEBSA-N 0 3 233.264 1.113 20 5 BDBDHN CC(COC(=O)C[C@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893046416 583036841 /nfs/dbraw/zinc/03/68/41/583036841.db2.gz AYEMNVAYUSTPHC-IUCAKERBSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C1Cc2ccccc2C1)[N+](=O)[O-] ZINC000813104785 582580745 /nfs/dbraw/zinc/58/07/45/582580745.db2.gz HHPZPTJXTVDJNH-VIFPVBQESA-N 0 3 249.266 1.610 20 5 BDBDHN CC(COC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813103772 582581023 /nfs/dbraw/zinc/58/10/23/582581023.db2.gz SYADGLMKRPIZAR-SSDOTTSWSA-N 0 3 227.191 1.648 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813110755 582588343 /nfs/dbraw/zinc/58/83/43/582588343.db2.gz ITCVMQALGIIMLX-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN CCc1cnccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113279 582589427 /nfs/dbraw/zinc/58/94/27/582589427.db2.gz CRFZZGCMZUVONF-QMMMGPOBSA-N 0 3 238.243 1.466 20 5 BDBDHN CC(COC(=O)/C=C\c1ccccc1)[N+](=O)[O-] ZINC000813112700 582590114 /nfs/dbraw/zinc/59/01/14/582590114.db2.gz TYDXGHPBFFKQPE-GQYWMQPJSA-N 0 3 235.239 1.908 20 5 BDBDHN CC(COC(=O)C[C@H](C)n1cccc1)[N+](=O)[O-] ZINC000813114489 582592031 /nfs/dbraw/zinc/59/20/31/582592031.db2.gz CKGZQGJHQDAOLG-UWVGGRQHSA-N 0 3 240.259 1.648 20 5 BDBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])N(CC)CC ZINC000813115117 582592079 /nfs/dbraw/zinc/59/20/79/582592079.db2.gz KURSRBWXOFGJMP-NXEZZACHSA-N 0 3 246.307 1.315 20 5 BDBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115599 582592503 /nfs/dbraw/zinc/59/25/03/582592503.db2.gz WCXZLYDOIIKQMW-GRKOMRHMSA-N 0 3 213.233 1.551 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@@H]1c1ccccc1 ZINC000899874113 584245360 /nfs/dbraw/zinc/24/53/60/584245360.db2.gz ZAZAMGJBEKSPOQ-MNOVXSKESA-N 0 3 206.245 1.409 20 5 BDBDHN CC(C)OC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000873532383 584650340 /nfs/dbraw/zinc/65/03/40/584650340.db2.gz HDLMTFYBKSZYAE-VIFPVBQESA-N 0 3 245.275 1.543 20 5 BDBDHN CC1CCC(N(C)CC[N+](=O)[O-])CC1 ZINC000791054838 585973351 /nfs/dbraw/zinc/97/33/51/585973351.db2.gz ZDBUXVJAMNHPTP-UHFFFAOYSA-N 0 3 200.282 1.774 20 5 BDBDHN CC[C@H](C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102639 586591867 /nfs/dbraw/zinc/59/18/67/586591867.db2.gz HVYUGQLNSPBRCO-CIUDSAMLSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813101623 586592049 /nfs/dbraw/zinc/59/20/49/586592049.db2.gz FSNUXBOUQFELEQ-MRVPVSSYSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(C)CO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102462 586592051 /nfs/dbraw/zinc/59/20/51/586592051.db2.gz FUEZXMPAAUCRMY-DTWKUNHWSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)CC1CCSCC1)[N+](=O)[O-] ZINC000813105052 586592310 /nfs/dbraw/zinc/59/23/10/586592310.db2.gz UPTBFONBVAHEQO-QMMMGPOBSA-N 0 3 247.316 1.728 20 5 BDBDHN CC(COC(=O)/C=C/C(C)(C)C)[N+](=O)[O-] ZINC000813106634 586592336 /nfs/dbraw/zinc/59/23/36/586592336.db2.gz FLMCLRQTHULAOB-HQZHTGGTSA-N 0 3 215.249 1.797 20 5 BDBDHN CCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105558 586592478 /nfs/dbraw/zinc/59/24/78/586592478.db2.gz OLXAOUICHWWNFA-YUMQZZPRSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)[C@@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000813104104 586592484 /nfs/dbraw/zinc/59/24/84/586592484.db2.gz JYKCMFFQQIMCHG-UHNVWZDZSA-N 0 3 242.058 1.389 20 5 BDBDHN CCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105557 586592536 /nfs/dbraw/zinc/59/25/36/586592536.db2.gz OLXAOUICHWWNFA-SFYZADRCSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813104686 586592574 /nfs/dbraw/zinc/59/25/74/586592574.db2.gz PXNRKJLYCWDCOH-UWVGGRQHSA-N 0 3 237.255 1.999 20 5 BDBDHN CC(COC(=O)[C@H]1CCCOCC1)[N+](=O)[O-] ZINC000813103747 586592592 /nfs/dbraw/zinc/59/25/92/586592592.db2.gz SFXZSGGZJWJHCE-IUCAKERBSA-N 0 3 231.248 1.012 20 5 BDBDHN Cc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105178 586592602 /nfs/dbraw/zinc/59/26/02/586592602.db2.gz KDDVQASATLRYHC-MRVPVSSYSA-N 0 3 224.216 1.212 20 5 BDBDHN CCS[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813107522 586592768 /nfs/dbraw/zinc/59/27/68/586592768.db2.gz RWFSILCQLBLDJR-BDAKNGLRSA-N 0 3 249.332 1.973 20 5 BDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813107169 586592983 /nfs/dbraw/zinc/59/29/83/586592983.db2.gz LJAPFAZOIIXMEQ-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])sc1C ZINC000813109015 586593175 /nfs/dbraw/zinc/59/31/75/586593175.db2.gz NMQIXBUPOLNOLF-YFKPBYRVSA-N 0 3 244.272 1.582 20 5 BDBDHN Cc1c[nH]cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109250 586593235 /nfs/dbraw/zinc/59/32/35/586593235.db2.gz QGQVSQVZANFJHA-SSDOTTSWSA-N 0 3 212.205 1.145 20 5 BDBDHN Cc1ccncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110503 586593515 /nfs/dbraw/zinc/59/35/15/586593515.db2.gz CADPIYMWBFBZJZ-MRVPVSSYSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813111794 586593691 /nfs/dbraw/zinc/59/36/91/586593691.db2.gz XLVQPRVLUYHPJU-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CCCOC1)[N+](=O)[O-] ZINC000813113828 586593896 /nfs/dbraw/zinc/59/38/96/586593896.db2.gz JRVBNXQEXZBAGN-WPRPVWTQSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)/C=C/C1CCOCC1)[N+](=O)[O-] ZINC000813113124 586594107 /nfs/dbraw/zinc/59/41/07/586594107.db2.gz BKBFHXXTRVQCKW-GKQMSVHHSA-N 0 3 243.259 1.178 20 5 BDBDHN CCO[C@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813115678 586594247 /nfs/dbraw/zinc/59/42/47/586594247.db2.gz XNOYVQUKPVWJNM-VHSXEESVSA-N 0 3 247.291 1.646 20 5 BDBDHN CC/C=C(/C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115716 586594291 /nfs/dbraw/zinc/59/42/91/586594291.db2.gz YPZRZODHEMGADK-GRKOMRHMSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)C[C@@H]1CC[C@H]2C[C@H]21)[N+](=O)[O-] ZINC000835455968 587803259 /nfs/dbraw/zinc/80/32/59/587803259.db2.gz RGFSIMLFSUQQOW-XFWSIPNHSA-N 0 3 227.260 1.631 20 5 BDBDHN CC(COC(=O)c1ccc(CF)cc1)[N+](=O)[O-] ZINC000851036024 588585669 /nfs/dbraw/zinc/58/56/69/588585669.db2.gz BRZNWSRJORNLES-MRVPVSSYSA-N 0 3 241.218 1.978 20 5 BDBDHN CCC[C@@H](OCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777897 589119606 /nfs/dbraw/zinc/11/96/06/589119606.db2.gz YQWFGPAHPLZCMR-DTWKUNHWSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)C[C@H](C)C(F)(F)F)[N+](=O)[O-] ZINC000860777068 589119639 /nfs/dbraw/zinc/11/96/39/589119639.db2.gz KBAMDDKCMOTZIQ-WDSKDSINSA-N 0 3 243.181 1.783 20 5 BDBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000860776258 589119644 /nfs/dbraw/zinc/11/96/44/589119644.db2.gz DAPUVDVAXBJAHN-ZETCQYMHSA-N 0 3 241.247 1.033 20 5 BDBDHN Cc1cc(F)ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870376280 589661012 /nfs/dbraw/zinc/66/10/12/589661012.db2.gz FRDBRPXYRBBMJV-SSDOTTSWSA-N 0 3 242.206 1.351 20 5 BDBDHN NOCCCNCc1csc([N+](=O)[O-])c1 ZINC000904456612 637415997 /nfs/dbraw/zinc/41/59/97/637415997.db2.gz JJSQKCXBHXWAKQ-UHFFFAOYSA-N 0 3 231.277 1.026 20 5 BDBDHN Cc1ccccc1C1(CNCC[N+](=O)[O-])CC1 ZINC000905082377 637583298 /nfs/dbraw/zinc/58/32/98/637583298.db2.gz MTUXUQOZFTXSHY-UHFFFAOYSA-N 0 3 234.299 1.893 20 5 BDBDHN CCc1cnc(CCNCC[N+](=O)[O-])s1 ZINC000905135340 637646760 /nfs/dbraw/zinc/64/67/60/637646760.db2.gz NGVUSCJBMGAZOS-UHFFFAOYSA-N 0 3 229.305 1.114 20 5 BDBDHN CCOc1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905174150 637683328 /nfs/dbraw/zinc/68/33/28/637683328.db2.gz DVXVOSWUHYELKH-UHFFFAOYSA-N 0 3 238.287 1.494 20 5 BDBDHN C=Cc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905262481 637715935 /nfs/dbraw/zinc/71/59/35/637715935.db2.gz HIRKEOWJFXFTEO-UHFFFAOYSA-N 0 3 220.272 1.738 20 5 BDBDHN CCOC1(CNCC[N+](=O)[O-])CCCC1 ZINC000905266680 637719098 /nfs/dbraw/zinc/71/90/98/637719098.db2.gz FXQAVZXZKTZELL-UHFFFAOYSA-N 0 3 216.281 1.202 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCCCC1(F)F ZINC000905273426 637732298 /nfs/dbraw/zinc/73/22/98/637732298.db2.gz MWLKKMVTWQPCAT-QMMMGPOBSA-N 0 3 222.235 1.678 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccccn1 ZINC000905275912 637733876 /nfs/dbraw/zinc/73/38/76/637733876.db2.gz ZHTMQFNVEYEZGA-UHFFFAOYSA-N 0 3 223.276 1.226 20 5 BDBDHN C[C@H](C[C@@H](O)c1cccs1)NCC[N+](=O)[O-] ZINC000905368039 637789610 /nfs/dbraw/zinc/78/96/10/637789610.db2.gz XWMXGWFMNZZFMQ-RKDXNWHRSA-N 0 3 244.316 1.426 20 5 BDBDHN CO[C@@H](CNCC[N+](=O)[O-])C1CCCCC1 ZINC000905379262 637793068 /nfs/dbraw/zinc/79/30/68/637793068.db2.gz BRUHFRFZCJSOIM-NSHDSACASA-N 0 3 230.308 1.448 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000930331827 639713389 /nfs/dbraw/zinc/71/33/89/639713389.db2.gz ALWRETODTBUXOP-NSHDSACASA-N 0 3 240.690 1.674 20 5 BDBDHN COC[C@@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000930675246 639857600 /nfs/dbraw/zinc/85/76/00/639857600.db2.gz GULRWFCGPOCADY-SNVBAGLBSA-N 0 3 216.281 1.012 20 5 BDBDHN Cc1cc(N[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000092026903 958523680 /nfs/dbraw/zinc/52/36/80/958523680.db2.gz PHARRWKRDLIDBF-VIFPVBQESA-N 0 3 236.275 1.414 20 5 BDBDHN CC(=O)[C@@H]1CCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169052512 969368248 /nfs/dbraw/zinc/36/82/48/969368248.db2.gz GMLXMHRDMXJWCO-WOPDTQHZSA-N 0 3 240.303 1.485 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001169230732 969501995 /nfs/dbraw/zinc/50/19/95/969501995.db2.gz BDVVZBLAZUWOGP-MRVPVSSYSA-N 0 3 247.258 1.504 20 5 BDBDHN C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])cn2)n1 ZINC001169229812 969503436 /nfs/dbraw/zinc/50/34/36/969503436.db2.gz ZIEFQIOHACXBAD-ZETCQYMHSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1cc(O[C@@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC001225657889 974628946 /nfs/dbraw/zinc/62/89/46/974628946.db2.gz SRHZTGQTCWODDL-SECBINFHSA-N 0 3 237.259 1.381 20 5 BDBDHN CN1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225911798 974725985 /nfs/dbraw/zinc/72/59/85/974725985.db2.gz BWOOZHJTVPZYLR-SECBINFHSA-N 0 3 240.234 1.817 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCN(C)C1 ZINC001226996408 975213847 /nfs/dbraw/zinc/21/38/47/975213847.db2.gz RIGAXKQVJUGDON-LLVKDONJSA-N 0 3 236.271 1.986 20 5 BDBDHN CC(C)C[C@H]1OCCC[C@@H]1NCC[N+](=O)[O-] ZINC001334722966 976601337 /nfs/dbraw/zinc/60/13/37/976601337.db2.gz GHJFZVFHRORWCU-WDEREUQCSA-N 0 3 230.308 1.446 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC[C@H](F)C1)[N+](=O)[O-] ZINC001263478270 993331115 /nfs/dbraw/zinc/33/11/15/993331115.db2.gz SDDGLVXJQBNYRY-HLTSFMKQSA-N 0 3 233.239 1.723 20 5 BDBDHN CCC1(CC(=O)OCC(C)[N+](=O)[O-])COC1 ZINC001263502249 993345190 /nfs/dbraw/zinc/34/51/90/993345190.db2.gz NPVLOLICZISTKS-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC(N(C)C)C1 ZINC000302027357 178274605 /nfs/dbraw/zinc/27/46/05/178274605.db2.gz QTJPRYOVTSTGMG-UHFFFAOYSA-N 0 3 236.275 1.048 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCCO ZINC000281754220 178271525 /nfs/dbraw/zinc/27/15/25/178271525.db2.gz KWAGVUMIPCEDOU-UHFFFAOYSA-N 0 3 238.287 1.717 20 5 BDBDHN CN1CC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134584972 342871155 /nfs/dbraw/zinc/87/11/55/342871155.db2.gz NPNCKEKAGPRCAY-SECBINFHSA-N 0 3 236.275 1.353 20 5 BDBDHN CC[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000020195884 398316020 /nfs/dbraw/zinc/31/60/20/398316020.db2.gz ZDOLXRIAUNTRCY-JTQLQIEISA-N 0 3 224.260 1.455 20 5 BDBDHN C[C@H](NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188636 398316074 /nfs/dbraw/zinc/31/60/74/398316074.db2.gz XZHFRVODOVMDOU-VIFPVBQESA-N 0 3 224.260 1.628 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCC2)cc1 ZINC000133144783 398322724 /nfs/dbraw/zinc/32/27/24/398322724.db2.gz JYPUADKJFZNFCQ-UHFFFAOYSA-N 0 3 236.271 1.599 20 5 BDBDHN CN(C)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000221037974 344663463 /nfs/dbraw/zinc/66/34/63/344663463.db2.gz JYFHOEULTGGASW-UHFFFAOYSA-N 0 3 237.303 1.588 20 5 BDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)nc1 ZINC000044411768 345058903 /nfs/dbraw/zinc/05/89/03/345058903.db2.gz DSHXXWCDRQAAOL-SECBINFHSA-N 0 3 248.286 1.638 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H](CO)C2)c1 ZINC000601140337 346344803 /nfs/dbraw/zinc/34/48/03/346344803.db2.gz UJJHJPMIPRXTTC-PHIMTYICSA-N 0 3 236.271 1.455 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNC/C=C/CO ZINC000594974966 348162396 /nfs/dbraw/zinc/16/23/96/348162396.db2.gz PBCCGRZXPOFYRX-NSCUHMNNSA-N 0 3 236.271 1.541 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000594998957 348168680 /nfs/dbraw/zinc/16/86/80/348168680.db2.gz MSWFYKZOMFLMRD-HOMQSWHASA-N 0 3 222.244 1.208 20 5 BDBDHN C[C@H](NC/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595073206 348188570 /nfs/dbraw/zinc/18/85/70/348188570.db2.gz SZXGTYPUNLCOHV-ZMWSMAPVSA-N 0 3 236.271 1.794 20 5 BDBDHN Cc1cccc(N(C)CC2CN(C)C2)c1[N+](=O)[O-] ZINC000596454292 348551775 /nfs/dbraw/zinc/55/17/75/348551775.db2.gz SIZOCCFCFBMZJA-UHFFFAOYSA-N 0 3 249.314 1.901 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCC1COC1 ZINC000599011826 349075970 /nfs/dbraw/zinc/07/59/70/349075970.db2.gz MRUDOCWOIMTTIQ-UHFFFAOYSA-N 0 3 222.244 1.331 20 5 BDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)cn1 ZINC000053297688 356230160 /nfs/dbraw/zinc/23/01/60/356230160.db2.gz JZNFDLAPZMWWBF-JTQLQIEISA-N 0 3 248.286 1.638 20 5 BDBDHN CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000079552107 359448808 /nfs/dbraw/zinc/44/88/08/359448808.db2.gz JCMWBXGARZPDML-UHFFFAOYSA-N 0 3 207.233 1.368 20 5 BDBDHN NC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000148207480 181327138 /nfs/dbraw/zinc/32/71/38/181327138.db2.gz FDAZJXSNZWZKOO-UHFFFAOYSA-N 0 3 249.270 1.092 20 5 BDBDHN C[C@H](O)CCNCc1csc([N+](=O)[O-])c1 ZINC000078781820 370600764 /nfs/dbraw/zinc/60/07/64/370600764.db2.gz COWMWPATCHFTPW-ZETCQYMHSA-N 0 3 230.289 1.517 20 5 BDBDHN CC[C@@H](O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000124354770 371186173 /nfs/dbraw/zinc/18/61/73/371186173.db2.gz IBPRRRRZRXXNHY-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN Cn1cc(CN2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602714778 371832651 /nfs/dbraw/zinc/83/26/51/371832651.db2.gz WGEOBCWCKLQEOT-IUCAKERBSA-N 0 3 236.275 1.170 20 5 BDBDHN CC1(NCCc2ccc([N+](=O)[O-])cc2)COC1 ZINC000602738275 371836963 /nfs/dbraw/zinc/83/69/63/371836963.db2.gz DJIGULPPQCVYBW-UHFFFAOYSA-N 0 3 236.271 1.516 20 5 BDBDHN CC[C@H](C)[C@@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602806099 371842893 /nfs/dbraw/zinc/84/28/93/371842893.db2.gz OXROWNZDOJGVRJ-DTWKUNHWSA-N 0 3 240.307 1.853 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCCCCO ZINC000036387818 182949392 /nfs/dbraw/zinc/94/93/92/182949392.db2.gz ZJZIDMMKFLWMMW-UHFFFAOYSA-N 0 3 238.287 1.847 20 5 BDBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000112675106 383936891 /nfs/dbraw/zinc/93/68/91/383936891.db2.gz FQLVURAILBRTAH-UHFFFAOYSA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@H](O)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000158668000 384275649 /nfs/dbraw/zinc/27/56/49/384275649.db2.gz RCKZUUGITVQSFD-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCOC2)cc1 ZINC000070967473 384487253 /nfs/dbraw/zinc/48/72/53/384487253.db2.gz LBRPWUZIYWZXOE-JTQLQIEISA-N 0 3 222.244 1.473 20 5 BDBDHN CN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000044386092 384655559 /nfs/dbraw/zinc/65/55/59/384655559.db2.gz PTGBDXQGAXATQP-LLVKDONJSA-N 0 3 235.287 1.389 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2CC2)cc1 ZINC000071300355 384802543 /nfs/dbraw/zinc/80/25/43/384802543.db2.gz BKTOTBMRVRXDLF-GFCCVEGCSA-N 0 3 236.271 1.455 20 5 BDBDHN CN(C)CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148452047 384890812 /nfs/dbraw/zinc/89/08/12/384890812.db2.gz BBXRXTYYZJTBFC-UHFFFAOYSA-N 0 3 244.682 1.617 20 5 BDBDHN CN(CCNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000060374631 385051594 /nfs/dbraw/zinc/05/15/94/385051594.db2.gz HOWQFLFGUOLJST-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN Cc1c([C@H](C)N[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000127575219 385260351 /nfs/dbraw/zinc/26/03/51/385260351.db2.gz WEWBULMKKJWJOG-WPRPVWTQSA-N 0 3 238.287 1.935 20 5 BDBDHN CCN(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189686047 385271324 /nfs/dbraw/zinc/27/13/24/385271324.db2.gz UJMKOXFMUSENSP-UHFFFAOYSA-N 0 3 230.293 1.415 20 5 BDBDHN O=C(CCN1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000265041323 385897146 /nfs/dbraw/zinc/89/71/46/385897146.db2.gz NFXPHFRMIGXGSA-UHFFFAOYSA-N 0 3 249.270 1.629 20 5 BDBDHN C[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796024 385903204 /nfs/dbraw/zinc/90/32/04/385903204.db2.gz NLWMUUUMRWQSPO-GZMMTYOYSA-N 0 3 236.271 1.553 20 5 BDBDHN CN(C)C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000397954786 386088908 /nfs/dbraw/zinc/08/89/08/386088908.db2.gz DNVUTTBZOUBZKX-UHFFFAOYSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@@H](CCCO)NCc1csc([N+](=O)[O-])c1 ZINC000087358927 386196770 /nfs/dbraw/zinc/19/67/70/386196770.db2.gz PJPPSEPJZXCQJE-QMMMGPOBSA-N 0 3 244.316 1.907 20 5 BDBDHN CC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926304 386371523 /nfs/dbraw/zinc/37/15/23/386371523.db2.gz UYCMSXHNORCJJE-NSHDSACASA-N 0 3 224.260 1.455 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCO)CCC2 ZINC000192613774 387226759 /nfs/dbraw/zinc/22/67/59/387226759.db2.gz YTCFCNCHLUEPKY-LBPRGKRZSA-N 0 3 236.271 1.554 20 5 BDBDHN C[C@H](CCCO)NCc1cccc([N+](=O)[O-])c1 ZINC000088503487 387289181 /nfs/dbraw/zinc/28/91/81/387289181.db2.gz CFQVZCVINIDZMJ-SNVBAGLBSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@@H](CCCO)NCc1cccc([N+](=O)[O-])c1 ZINC000088503486 387292391 /nfs/dbraw/zinc/29/23/91/387292391.db2.gz CFQVZCVINIDZMJ-JTQLQIEISA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295879746 387467110 /nfs/dbraw/zinc/46/71/10/387467110.db2.gz GWWVRBQFNHBBJX-PTOFAABTSA-N 0 3 236.271 1.769 20 5 BDBDHN C[C@@H](O)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000228085742 387666466 /nfs/dbraw/zinc/66/64/66/387666466.db2.gz QRVHNDFWQMVKSX-NXEZZACHSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@@]1(O)C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000418108429 388674549 /nfs/dbraw/zinc/67/45/49/388674549.db2.gz GMCUHGVWSMIFNA-KLPPZKSPSA-N 0 3 236.271 1.598 20 5 BDBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000077422242 388675497 /nfs/dbraw/zinc/67/54/97/388675497.db2.gz NYNGESMSLLGVFA-NXEZZACHSA-N 0 3 238.287 1.701 20 5 BDBDHN Cc1ccc(CNCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000078780288 388685062 /nfs/dbraw/zinc/68/50/62/388685062.db2.gz UXWPZTIQSRZPPH-JTQLQIEISA-N 0 3 238.287 1.764 20 5 BDBDHN CC[C@@H](C)[C@@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000330802742 388761310 /nfs/dbraw/zinc/76/13/10/388761310.db2.gz BADYGGMKWRONSH-RKDXNWHRSA-N 0 3 240.307 1.853 20 5 BDBDHN CN(CCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282526659 388817206 /nfs/dbraw/zinc/81/72/06/388817206.db2.gz UOKZEOAOKPVGGS-UHFFFAOYSA-N 0 3 238.287 1.452 20 5 BDBDHN C[C@H](NCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283919654 388825986 /nfs/dbraw/zinc/82/59/86/388825986.db2.gz DPFNZJDANZAEKW-QMMMGPOBSA-N 0 3 239.275 1.210 20 5 BDBDHN Cc1cnc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691884 132236789 /nfs/dbraw/zinc/23/67/89/132236789.db2.gz XSOATDUXRMOTIE-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN Cc1cccc(N2CCNCC2)c1[N+](=O)[O-] ZINC000204500471 132333173 /nfs/dbraw/zinc/33/31/73/132333173.db2.gz RJJSUNBXZUYGOJ-UHFFFAOYSA-N 0 3 221.260 1.313 20 5 BDBDHN C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000226775322 134369008 /nfs/dbraw/zinc/36/90/08/134369008.db2.gz KJXGPXVVUHQAKN-ZCFIWIBFSA-N 0 3 230.293 1.413 20 5 BDBDHN CC1=CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000280708146 168099363 /nfs/dbraw/zinc/09/93/63/168099363.db2.gz DEBFVRVGMIVOLI-UHFFFAOYSA-N 0 3 236.275 1.443 20 5 BDBDHN CC[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000096478387 171183875 /nfs/dbraw/zinc/18/38/75/171183875.db2.gz QEQQWDXFHPQGKF-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN COCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000021013976 174336173 /nfs/dbraw/zinc/33/61/73/174336173.db2.gz NVTDDFQMPGUPDV-UHFFFAOYSA-N 0 3 240.259 1.339 20 5 BDBDHN COCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525909 174339987 /nfs/dbraw/zinc/33/99/87/174339987.db2.gz YQZDLGJZNCNSBS-SECBINFHSA-N 0 3 224.260 1.892 20 5 BDBDHN C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176190475 176071405 /nfs/dbraw/zinc/07/14/05/176071405.db2.gz XQNWJXUHRGGQFA-SNVBAGLBSA-N 0 3 238.291 1.666 20 5 BDBDHN CC[C@H](SC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110269 586593001 /nfs/dbraw/zinc/59/30/01/586593001.db2.gz WDERPOVNJLQQAG-RQJHMYQMSA-N 0 3 221.278 1.336 20 5 BDBDHN CC(COC(=O)C1(C)CCC1)[N+](=O)[O-] ZINC000813109238 586593329 /nfs/dbraw/zinc/59/33/29/586593329.db2.gz QBYMAGXAKOMKPM-ZETCQYMHSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)[C@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813115314 586594459 /nfs/dbraw/zinc/59/44/59/586594459.db2.gz OVQKIELFAPFMJY-HLTSFMKQSA-N 0 3 215.249 1.631 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)O ZINC000131173645 325123182 /nfs/dbraw/zinc/12/31/82/325123182.db2.gz DMXKFJXSNALMOW-UWVGGRQHSA-N 0 3 238.287 1.935 20 5 BDBDHN C[C@@H](O)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000051821905 488049144 /nfs/dbraw/zinc/04/91/44/488049144.db2.gz NQFGRJWEOIODJT-SECBINFHSA-N 0 3 224.260 1.407 20 5 BDBDHN CC(COC(=O)CCOCC1CC1)[N+](=O)[O-] ZINC000813106846 582582642 /nfs/dbraw/zinc/58/26/42/582582642.db2.gz IQXSQIVZUIEPBF-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)c1occ2c1CCC2)[N+](=O)[O-] ZINC000813111690 582588991 /nfs/dbraw/zinc/58/89/91/582588991.db2.gz WCTQCUSQXUXDOM-ZETCQYMHSA-N 0 3 239.227 1.590 20 5 BDBDHN CCCCSCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113344 582589987 /nfs/dbraw/zinc/58/99/87/582589987.db2.gz ZBOZQMWQASROJZ-MRVPVSSYSA-N 0 3 235.305 1.728 20 5 BDBDHN CC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114085 582591224 /nfs/dbraw/zinc/59/12/24/582591224.db2.gz YPXKLDBBMOJZAK-JGVFFNPUSA-N 0 3 203.238 1.631 20 5 BDBDHN CN1C[C@@H]2CCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941707 583255001 /nfs/dbraw/zinc/25/50/01/583255001.db2.gz VORIBYADGCBUAV-GXFFZTMASA-N 0 3 247.298 1.735 20 5 BDBDHN CC(COC(=O)[C@@H](C)C1CCC1)[N+](=O)[O-] ZINC000838965555 585082652 /nfs/dbraw/zinc/08/26/52/585082652.db2.gz SUWKARDQYVMTAD-SFYZADRCSA-N 0 3 215.249 1.631 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)C1CC1 ZINC000763068909 585442874 /nfs/dbraw/zinc/44/28/74/585442874.db2.gz NRURIOKHSWARAS-NSHDSACASA-N 0 3 236.271 1.455 20 5 BDBDHN COC1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813101643 586591994 /nfs/dbraw/zinc/59/19/94/586591994.db2.gz GDBXCMTVASJPHR-IDKOKCKLSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813101624 586592103 /nfs/dbraw/zinc/59/21/03/586592103.db2.gz FSNUXBOUQFELEQ-QMMMGPOBSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)/C=C/c1ccco1)[N+](=O)[O-] ZINC000813103172 586592117 /nfs/dbraw/zinc/59/21/17/586592117.db2.gz APFBKCDYOPNFPX-ZJELKQJVSA-N 0 3 225.200 1.501 20 5 BDBDHN CC(C)CCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105153 586592236 /nfs/dbraw/zinc/59/22/36/586592236.db2.gz WGHGMABTROWFRL-ZJUUUORDSA-N 0 3 247.291 1.646 20 5 BDBDHN COc1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105012 586592412 /nfs/dbraw/zinc/59/24/12/586592412.db2.gz JCQHOEKZCTYSMW-ZCFIWIBFSA-N 0 3 245.256 1.579 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H]1C(F)F)[N+](=O)[O-] ZINC000813104736 586592486 /nfs/dbraw/zinc/59/24/86/586592486.db2.gz GLCHUMOQCMSDTK-SRQIZXRXSA-N 0 3 223.175 1.096 20 5 BDBDHN CC(C)[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105821 586592729 /nfs/dbraw/zinc/59/27/29/586592729.db2.gz VDDQIIAYYNYUGA-CIUDSAMLSA-N 0 3 215.249 1.487 20 5 BDBDHN COCCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108006 586592794 /nfs/dbraw/zinc/59/27/94/586592794.db2.gz SWYVCLOEKXADOW-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(C)[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105822 586592981 /nfs/dbraw/zinc/59/29/81/586592981.db2.gz VDDQIIAYYNYUGA-HRDYMLBCSA-N 0 3 215.249 1.487 20 5 BDBDHN CC(C)n1cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108317 586593275 /nfs/dbraw/zinc/59/32/75/586593275.db2.gz XLBQFAAGROGKQT-VIFPVBQESA-N 0 3 240.259 1.891 20 5 BDBDHN CC(COC(=O)C1(F)CCCC1)[N+](=O)[O-] ZINC000813110357 586593597 /nfs/dbraw/zinc/59/35/97/586593597.db2.gz YNAPVYWBHJGLJE-ZETCQYMHSA-N 0 3 219.212 1.477 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CC[C@@H](C)O1)[N+](=O)[O-] ZINC000813111437 586593633 /nfs/dbraw/zinc/59/36/33/586593633.db2.gz HFMUPOKUEJONEC-BBBLOLIVSA-N 0 3 245.275 1.543 20 5 BDBDHN CC(COC(=O)CCc1cccs1)[N+](=O)[O-] ZINC000813111331 586593746 /nfs/dbraw/zinc/59/37/46/586593746.db2.gz RGWHSSHWFZSUEF-MRVPVSSYSA-N 0 3 243.284 1.889 20 5 BDBDHN CC(COC(=O)[C@H](C)c1ccco1)[N+](=O)[O-] ZINC000813113178 586593868 /nfs/dbraw/zinc/59/38/68/586593868.db2.gz BTUIDDNUTRLVEK-HTQZYQBOSA-N 0 3 227.216 1.592 20 5 BDBDHN Cc1nscc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113977 586593898 /nfs/dbraw/zinc/59/38/98/586593898.db2.gz XIRNOPRNRWHEHW-YFKPBYRVSA-N 0 3 230.245 1.274 20 5 BDBDHN Cc1cc(F)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114999 586594196 /nfs/dbraw/zinc/59/41/96/586594196.db2.gz ZNWLRDSZNMYMII-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN CC/C=C(\C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115717 586594307 /nfs/dbraw/zinc/59/43/07/586594307.db2.gz YPZRZODHEMGADK-IVGLGHLBSA-N 0 3 201.222 1.551 20 5 BDBDHN CO[C@@H]1CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000851037135 588585910 /nfs/dbraw/zinc/58/59/10/588585910.db2.gz QGUMRAMEGZXHTF-DJLDLDEBSA-N 0 3 231.248 1.010 20 5 BDBDHN CCO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000860776959 589119404 /nfs/dbraw/zinc/11/94/04/589119404.db2.gz IJUCUPQXULJVLU-VXNVDRBHSA-N 0 3 231.248 1.010 20 5 BDBDHN CCC[C@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642838 589386789 /nfs/dbraw/zinc/38/67/89/589386789.db2.gz XFEWGTWMFKOCBF-QMMMGPOBSA-N 0 3 241.295 1.133 20 5 BDBDHN CC(COC(=O)C1(C(F)F)CCC1)[N+](=O)[O-] ZINC000870376263 589661245 /nfs/dbraw/zinc/66/12/45/589661245.db2.gz FJVGULYEUJQRJU-ZCFIWIBFSA-N 0 3 237.202 1.630 20 5 BDBDHN CCn1ccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000873533180 590054766 /nfs/dbraw/zinc/05/47/66/590054766.db2.gz UBBNFUGJLIFIHY-QMMMGPOBSA-N 0 3 240.259 1.638 20 5 BDBDHN CC(C)[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886121171 592157972 /nfs/dbraw/zinc/15/79/72/592157972.db2.gz XARNZTANZGBYME-SNVBAGLBSA-N 0 3 239.275 1.096 20 5 BDBDHN Cc1ccccc1OCCCNCC[N+](=O)[O-] ZINC000905092410 637630971 /nfs/dbraw/zinc/63/09/71/637630971.db2.gz DKVSJTYMGMBHJD-UHFFFAOYSA-N 0 3 238.287 1.630 20 5 BDBDHN Cc1csc([C@H](C)CNCC[N+](=O)[O-])n1 ZINC000905209679 637698246 /nfs/dbraw/zinc/69/82/46/637698246.db2.gz RUVQSBBYRQGKRW-SSDOTTSWSA-N 0 3 229.305 1.421 20 5 BDBDHN C[C@]12CCN(CC[N+](=O)[O-])C[C@H]1C2(F)F ZINC000930539209 639805423 /nfs/dbraw/zinc/80/54/23/639805423.db2.gz HRVQFUDHFORVSK-SFYZADRCSA-N 0 3 220.219 1.240 20 5 BDBDHN CCN(CC[N+](=O)[O-])C1CC(C)(C)C1 ZINC000930731246 639882128 /nfs/dbraw/zinc/88/21/28/639882128.db2.gz VLYVERFHUFHOIB-UHFFFAOYSA-N 0 3 200.282 1.774 20 5 BDBDHN O=[N+]([O-])CCN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000931077154 640058540 /nfs/dbraw/zinc/05/85/40/640058540.db2.gz PWEHEVKEMQTPDL-TXEJJXNPSA-N 0 3 240.303 1.156 20 5 BDBDHN NC1=CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984751 969301033 /nfs/dbraw/zinc/30/10/33/969301033.db2.gz AENHBQFHIVLGTN-ONGXEEELSA-N 0 3 223.276 1.104 20 5 BDBDHN N#CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168631040 967142898 /nfs/dbraw/zinc/14/28/98/967142898.db2.gz JOICSHLIMLTMMY-UHFFFAOYSA-N 0 3 204.189 1.091 20 5 BDBDHN Cc1cc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)no1 ZINC001168963608 969315216 /nfs/dbraw/zinc/31/52/16/969315216.db2.gz PAFBGVOFEMWTIQ-VHSXEESVSA-N 0 3 239.275 1.518 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N(C2CC2)C2COC2)C1 ZINC001169035738 969353995 /nfs/dbraw/zinc/35/39/95/969353995.db2.gz LMMPZQVQSASCHN-MWLCHTKSSA-N 0 3 240.303 1.295 20 5 BDBDHN C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])cn2)n1 ZINC001169229811 969504840 /nfs/dbraw/zinc/50/48/40/969504840.db2.gz ZIEFQIOHACXBAD-SSDOTTSWSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001169230733 969505451 /nfs/dbraw/zinc/50/54/51/969505451.db2.gz BDVVZBLAZUWOGP-QMMMGPOBSA-N 0 3 247.258 1.504 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC1)C2 ZINC001254597842 969742940 /nfs/dbraw/zinc/74/29/40/969742940.db2.gz IAGXLSNCFVXRJK-LBPRGKRZSA-N 0 3 218.256 1.768 20 5 BDBDHN CN1CC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226762213 975063752 /nfs/dbraw/zinc/06/37/52/975063752.db2.gz AKIDHFYFHGJBEM-NSHDSACASA-N 0 3 222.244 1.678 20 5 BDBDHN Cc1nc(O[C@@H](C)C[N+](C)(C)C)c(C)c(=O)[n-]1 ZINC001229690540 976948470 /nfs/dbraw/zinc/94/84/70/976948470.db2.gz PJGOTEQJIQEUOE-QMMMGPOBSA-O 0 3 240.327 1.273 20 5 BDBDHN CCC(O)(CC)C(C)(C)CNCC[N+](=O)[O-] ZINC001336048967 977458572 /nfs/dbraw/zinc/45/85/72/977458572.db2.gz NKWVZJITORXKKU-UHFFFAOYSA-N 0 3 232.324 1.430 20 5 BDBDHN CCN1CC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856740 978714929 /nfs/dbraw/zinc/71/49/29/978714929.db2.gz FNWGHCQCJDBTKP-JTQLQIEISA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C)n1 ZINC001343663071 980181033 /nfs/dbraw/zinc/18/10/33/980181033.db2.gz BGXDFJVZNWEXPB-VIFPVBQESA-N 0 3 238.243 1.520 20 5 BDBDHN CC(COC(=O)C(C)(C)C(F)(F)F)[N+](=O)[O-] ZINC001344808739 980471969 /nfs/dbraw/zinc/47/19/69/980471969.db2.gz SFDROYRVDZGLPO-RXMQYKEDSA-N 0 3 243.181 1.783 20 5 BDBDHN CC(COC(=O)C1(C(C)(F)F)CC1)[N+](=O)[O-] ZINC001348255083 981319189 /nfs/dbraw/zinc/31/91/89/981319189.db2.gz ATDYBNIYOTYAAF-ZCFIWIBFSA-N 0 3 237.202 1.630 20 5 BDBDHN CCCCO[C@@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930441655 984956325 /nfs/dbraw/zinc/95/63/25/984956325.db2.gz NWJRSVNCBAUSFY-GHMZBOCLSA-N 0 3 244.335 1.837 20 5 BDBDHN Cc1cc([N+](=O)[O-])cn(C[C@H](C)N(C)C)c1=O ZINC000331070230 178274461 /nfs/dbraw/zinc/27/44/61/178274461.db2.gz CJJCTGGPFLITMI-VIFPVBQESA-N 0 3 239.275 1.015 20 5 BDBDHN CN(CCNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000134403054 342826162 /nfs/dbraw/zinc/82/61/62/342826162.db2.gz ISFKYGDUCJTOHU-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN CC[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925855 342855571 /nfs/dbraw/zinc/85/55/71/342855571.db2.gz ZFGUUFOJIVWLEU-JTQLQIEISA-N 0 3 247.258 1.585 20 5 BDBDHN Cc1ccc([C@@H](C)NCCCO)cc1[N+](=O)[O-] ZINC000020188589 398316164 /nfs/dbraw/zinc/31/61/64/398316164.db2.gz YMVCSOOSRBZFFJ-SNVBAGLBSA-N 0 3 238.287 1.936 20 5 BDBDHN CN(C)CCNc1sccc1[N+](=O)[O-] ZINC000301975843 398311835 /nfs/dbraw/zinc/31/18/35/398311835.db2.gz CAJZMQKYFFIIPY-UHFFFAOYSA-N 0 3 215.278 1.630 20 5 BDBDHN CC[C@H](NCCO)c1cccc([N+](=O)[O-])c1 ZINC000036721157 343323096 /nfs/dbraw/zinc/32/30/96/343323096.db2.gz JAEHXEKUQWZVQO-NSHDSACASA-N 0 3 224.260 1.628 20 5 BDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCO ZINC000078634883 344100542 /nfs/dbraw/zinc/10/05/42/344100542.db2.gz WAHOMOKYHDKGNB-VIFPVBQESA-N 0 3 224.260 1.580 20 5 BDBDHN C[C@@H](O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000136363725 346201038 /nfs/dbraw/zinc/20/10/38/346201038.db2.gz HLDZEFHESYKEKD-NXEZZACHSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@H](CNc1ncc(F)cc1[N+](=O)[O-])N(C)C ZINC000401123363 346237429 /nfs/dbraw/zinc/23/74/29/346237429.db2.gz KKTWOWAZGDWTMM-SSDOTTSWSA-N 0 3 242.254 1.491 20 5 BDBDHN Cc1cccc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000188386322 179115348 /nfs/dbraw/zinc/11/53/48/179115348.db2.gz JWIQDRFSPIQDMN-UHFFFAOYSA-N 0 3 237.303 1.901 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)CCF)c1 ZINC000593688294 347927749 /nfs/dbraw/zinc/92/77/49/347927749.db2.gz FMYUREGXFDDCEV-SNVBAGLBSA-N 0 3 242.250 1.405 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCOC1 ZINC000594502480 348064209 /nfs/dbraw/zinc/06/42/09/348064209.db2.gz OLHBYKXRMFYIQE-CABZTGNLSA-N 0 3 248.282 1.961 20 5 BDBDHN CO[C@@]1(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000594994515 348167962 /nfs/dbraw/zinc/16/79/62/348167962.db2.gz HKZSSPZLSJLLSZ-NEPJUHHUSA-N 0 3 236.271 1.862 20 5 BDBDHN CN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000159302861 350001020 /nfs/dbraw/zinc/00/10/20/350001020.db2.gz XBTUJKCIVILWGL-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601978404 349413197 /nfs/dbraw/zinc/41/31/97/349413197.db2.gz YQDBWNMZSKQWLZ-TXEJJXNPSA-N 0 3 248.282 1.673 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCN2CCCC2)cc1 ZINC000020127023 363026510 /nfs/dbraw/zinc/02/65/10/363026510.db2.gz ZOFTXZFTJKHWDU-UHFFFAOYSA-N 0 3 249.314 1.780 20 5 BDBDHN Cc1c(CN[C@@H](C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000231885601 351434367 /nfs/dbraw/zinc/43/43/67/351434367.db2.gz VEGBMRYUPRUHCW-VHSXEESVSA-N 0 3 238.287 1.762 20 5 BDBDHN CN(C)CCSc1ccc([N+](=O)[O-])nc1 ZINC000450376992 202146696 /nfs/dbraw/zinc/14/66/96/202146696.db2.gz HUGCMYPXQRSVAO-UHFFFAOYSA-N 0 3 227.289 1.644 20 5 BDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCOC2)cs1 ZINC000037739035 364559222 /nfs/dbraw/zinc/55/92/22/364559222.db2.gz RLXRCLCAVBTWTN-MRVPVSSYSA-N 0 3 242.300 1.782 20 5 BDBDHN C[C@@H]1CCC[C@@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824217 371844120 /nfs/dbraw/zinc/84/41/20/371844120.db2.gz YGSNHVIZDSKLLU-SCZZXKLOSA-N 0 3 238.291 1.607 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[C@@H]1C ZINC000602832748 371846255 /nfs/dbraw/zinc/84/62/55/371846255.db2.gz QVGZMLDWWLPOEQ-IUCAKERBSA-N 0 3 238.291 1.440 20 5 BDBDHN CCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653020 169078196 /nfs/dbraw/zinc/07/81/96/169078196.db2.gz NAOJTJIUUZQDIB-LBPRGKRZSA-N 0 3 238.287 1.970 20 5 BDBDHN O=[N+]([O-])c1ccnn1CCN1CCCCC1 ZINC000127986696 384977393 /nfs/dbraw/zinc/97/73/93/384977393.db2.gz PORSLFIZMCUWCM-UHFFFAOYSA-N 0 3 224.264 1.277 20 5 BDBDHN CCN(CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351331 385133710 /nfs/dbraw/zinc/13/37/10/385133710.db2.gz GKJWRRQSWUCMDO-LBPRGKRZSA-N 0 3 238.287 1.970 20 5 BDBDHN CCN(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000396 385590907 /nfs/dbraw/zinc/59/09/07/385590907.db2.gz VEOAUZZJLZAGBC-UHFFFAOYSA-N 0 3 238.291 1.662 20 5 BDBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000397882386 385726127 /nfs/dbraw/zinc/72/61/27/385726127.db2.gz LFAJBWCXYKCNOL-UHFFFAOYSA-N 0 3 242.304 1.557 20 5 BDBDHN O=[N+]([O-])c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000366441880 386385229 /nfs/dbraw/zinc/38/52/29/386385229.db2.gz PHYJDLCWRCXVEE-ITGUQSILSA-N 0 3 248.282 1.265 20 5 BDBDHN C[C@@]1(O)C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418108872 387761361 /nfs/dbraw/zinc/76/13/61/387761361.db2.gz HDXFPASIRQPBIE-KLPPZKSPSA-N 0 3 236.271 1.598 20 5 BDBDHN C[C@@H](NCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177222 388192297 /nfs/dbraw/zinc/19/22/97/388192297.db2.gz QAOQNVCJLNLBDX-MRVPVSSYSA-N 0 3 210.233 1.238 20 5 BDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])s1)N(C)C ZINC000226770534 388355205 /nfs/dbraw/zinc/35/52/05/388355205.db2.gz RGXRSWBQBSSOBO-LURJTMIESA-N 0 3 230.293 1.413 20 5 BDBDHN C[C@H](O)CCCNCc1csc([N+](=O)[O-])c1 ZINC000227952955 388373933 /nfs/dbraw/zinc/37/39/33/388373933.db2.gz REICTVXSKPYHFR-QMMMGPOBSA-N 0 3 244.316 1.907 20 5 BDBDHN CC[C@](C)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000080108750 388706801 /nfs/dbraw/zinc/70/68/01/388706801.db2.gz COAHVBLOPMTLCJ-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000022145964 388826461 /nfs/dbraw/zinc/82/64/61/388826461.db2.gz BAGMQZQOPSFTHS-UHFFFAOYSA-N 0 3 209.249 1.568 20 5 BDBDHN CN(C)CCSc1ncc([N+](=O)[O-])cn1 ZINC000302153310 388839733 /nfs/dbraw/zinc/83/97/33/388839733.db2.gz LOQBLDLBLJAKCN-UHFFFAOYSA-N 0 3 228.277 1.039 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN[C@H](C)C2)n1 ZINC000122712053 132227963 /nfs/dbraw/zinc/22/79/63/132227963.db2.gz MZVAGYFULLRVQP-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN CN1CCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000227440438 173034630 /nfs/dbraw/zinc/03/46/30/173034630.db2.gz BDSQFZCIEGXIGX-GFCCVEGCSA-N 0 3 249.314 1.779 20 5 BDBDHN COCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000008728598 174248021 /nfs/dbraw/zinc/24/80/21/174248021.db2.gz PBOAZEAVXXEQJV-UHFFFAOYSA-N 0 3 224.260 1.721 20 5 BDBDHN COCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994398 174336383 /nfs/dbraw/zinc/33/63/83/174336383.db2.gz XANNESHSCXVOSH-UHFFFAOYSA-N 0 3 224.260 1.639 20 5 BDBDHN C[C@@H]1CCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330393789 176150875 /nfs/dbraw/zinc/15/08/75/176150875.db2.gz CGMASFOHXMJEDZ-RKDXNWHRSA-N 0 3 238.291 1.607 20 5 BDBDHN C[C@@H]1CN(C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994429 176274880 /nfs/dbraw/zinc/27/48/80/176274880.db2.gz MXAOSDZOTDJREW-PWSUYJOCSA-N 0 3 249.314 1.635 20 5 BDBDHN C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176286248 177109454 /nfs/dbraw/zinc/10/94/54/177109454.db2.gz QSFSJZDEWMRLET-VIFPVBQESA-N 0 3 224.264 1.276 20 5 BDBDHN CC(COC(=O)CCCC1CC1)[N+](=O)[O-] ZINC000813111612 586593437 /nfs/dbraw/zinc/59/34/37/586593437.db2.gz IURCSTBIFJMUAE-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCO ZINC000151738990 323025517 /nfs/dbraw/zinc/02/55/17/323025517.db2.gz OYDAYNDBHKLUPB-JTQLQIEISA-N 0 3 238.287 1.936 20 5 BDBDHN CC(COC(=O)C1Cc2ccccc2C1)[N+](=O)[O-] ZINC000813104774 582580711 /nfs/dbraw/zinc/58/07/11/582580711.db2.gz HHPZPTJXTVDJNH-SECBINFHSA-N 0 3 249.266 1.610 20 5 BDBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112365 582589339 /nfs/dbraw/zinc/58/93/39/582589339.db2.gz GBQBOJUGQKNQMQ-QMMMGPOBSA-N 0 3 239.227 1.517 20 5 BDBDHN CCc1cnccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813113278 582589675 /nfs/dbraw/zinc/58/96/75/582589675.db2.gz CRFZZGCMZUVONF-MRVPVSSYSA-N 0 3 238.243 1.466 20 5 BDBDHN COC[C@H](C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112985 582590049 /nfs/dbraw/zinc/59/00/49/582590049.db2.gz NCSNUWSUXFGSDE-CIUDSAMLSA-N 0 3 233.264 1.113 20 5 BDBDHN CC(COC(=O)/C=C\c1ccccc1)[N+](=O)[O-] ZINC000813112699 582590076 /nfs/dbraw/zinc/59/00/76/582590076.db2.gz TYDXGHPBFFKQPE-DMEOUFDRSA-N 0 3 235.239 1.908 20 5 BDBDHN CN(C)[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899859470 584242692 /nfs/dbraw/zinc/24/26/92/584242692.db2.gz KFSQKCWOWRUYMC-GFCCVEGCSA-N 0 3 237.303 1.156 20 5 BDBDHN CCCCOCCCNCC[N+](=O)[O-] ZINC000899859245 584242747 /nfs/dbraw/zinc/24/27/47/584242747.db2.gz HNHQKJCDTGBLOI-UHFFFAOYSA-N 0 3 204.270 1.060 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCCc2ccccc21 ZINC000899865428 584245023 /nfs/dbraw/zinc/24/50/23/584245023.db2.gz HVAMLTUPDONHMW-GFCCVEGCSA-N 0 3 234.299 1.973 20 5 BDBDHN C[C@]1(CCNCC[N+](=O)[O-])CC1(F)F ZINC000899891014 584246028 /nfs/dbraw/zinc/24/60/28/584246028.db2.gz GJQUVXSISMCJRU-ZETCQYMHSA-N 0 3 208.208 1.288 20 5 BDBDHN CC(COC(=O)[C@]1(C)CCCCO1)[N+](=O)[O-] ZINC000838965388 585082506 /nfs/dbraw/zinc/08/25/06/585082506.db2.gz RXIKDMXRKWMTBE-WPRPVWTQSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)[C@H](C)CC(F)(F)F)[N+](=O)[O-] ZINC000838965694 585082619 /nfs/dbraw/zinc/08/26/19/585082619.db2.gz WQXHKBFJTKNZPC-RITPCOANSA-N 0 3 243.181 1.783 20 5 BDBDHN CC(COC(=O)c1ccsc1)[N+](=O)[O-] ZINC000813101456 586591873 /nfs/dbraw/zinc/59/18/73/586591873.db2.gz AQOOZBVVQZSISB-LURJTMIESA-N 0 3 215.230 1.570 20 5 BDBDHN Cc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102252 586592083 /nfs/dbraw/zinc/59/20/83/586592083.db2.gz CRPWGEGABLABHU-RXMQYKEDSA-N 0 3 244.272 1.582 20 5 BDBDHN CC(COC(=O)[C@@H](C)OCC1CC1)[N+](=O)[O-] ZINC000813103683 586592257 /nfs/dbraw/zinc/59/22/57/586592257.db2.gz FFZMBLHXKDICEA-JGVFFNPUSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C1(C(F)(F)F)CC1)[N+](=O)[O-] ZINC000813105061 586592376 /nfs/dbraw/zinc/59/23/76/586592376.db2.gz UZBMDWFBFPZNLS-YFKPBYRVSA-N 0 3 241.165 1.537 20 5 BDBDHN CC(COC(=O)CCc1nccs1)[N+](=O)[O-] ZINC000813104330 586592392 /nfs/dbraw/zinc/59/23/92/586592392.db2.gz MSIPJUVJXCUHLX-ZETCQYMHSA-N 0 3 244.272 1.284 20 5 BDBDHN CC(C)CCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105152 586592428 /nfs/dbraw/zinc/59/24/28/586592428.db2.gz WGHGMABTROWFRL-VHSXEESVSA-N 0 3 247.291 1.646 20 5 BDBDHN CCCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104642 586592452 /nfs/dbraw/zinc/59/24/52/586592452.db2.gz PLQYPOCGDIXLSW-QMMMGPOBSA-N 0 3 219.237 1.012 20 5 BDBDHN CC(COC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)[N+](=O)[O-] ZINC000813105485 586592530 /nfs/dbraw/zinc/59/25/30/586592530.db2.gz ZUKFQWCZJOQHDN-JQCXWYLXSA-N 0 3 231.248 1.008 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813105089 586592566 /nfs/dbraw/zinc/59/25/66/586592566.db2.gz VJINCDHAZCYENG-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN CC1=C(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813106322 586592826 /nfs/dbraw/zinc/59/28/26/586592826.db2.gz ATMYTMGNBOFLGN-MRVPVSSYSA-N 0 3 213.233 1.695 20 5 BDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])sc1C ZINC000813109013 586593093 /nfs/dbraw/zinc/59/30/93/586593093.db2.gz NMQIXBUPOLNOLF-RXMQYKEDSA-N 0 3 244.272 1.582 20 5 BDBDHN CC(COC(=O)COC(C)(C)C)[N+](=O)[O-] ZINC000813110880 586593495 /nfs/dbraw/zinc/59/34/95/586593495.db2.gz LJLKXAWMPDDIKE-SSDOTTSWSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)c1cncc(F)c1)[N+](=O)[O-] ZINC000813110686 586593641 /nfs/dbraw/zinc/59/36/41/586593641.db2.gz HNHGUXTXRXOKAE-LURJTMIESA-N 0 3 228.179 1.043 20 5 BDBDHN CC(COC(=O)[C@@H](C)c1ccco1)[N+](=O)[O-] ZINC000813113187 586593940 /nfs/dbraw/zinc/59/39/40/586593940.db2.gz BTUIDDNUTRLVEK-YUMQZZPRSA-N 0 3 227.216 1.592 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000813113334 586593961 /nfs/dbraw/zinc/59/39/61/586593961.db2.gz YOLUMYILLSKXQL-LURJTMIESA-N 0 3 227.216 1.718 20 5 BDBDHN CC(COC(=O)Cc1ccoc1)[N+](=O)[O-] ZINC000813113569 586593988 /nfs/dbraw/zinc/59/39/88/586593988.db2.gz GHWPQQZJTSNZHU-SSDOTTSWSA-N 0 3 213.189 1.031 20 5 BDBDHN CC[C@](C)(OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112965 586594083 /nfs/dbraw/zinc/59/40/83/586594083.db2.gz MRBPZRPLKBIIOE-CBAPKCEASA-N 0 3 219.237 1.010 20 5 BDBDHN Cc1cc(C)nc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112551 586594101 /nfs/dbraw/zinc/59/41/01/586594101.db2.gz IDRZXCOVBVCVDU-VIFPVBQESA-N 0 3 238.243 1.520 20 5 BDBDHN CCc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813113039 586594105 /nfs/dbraw/zinc/59/41/05/586594105.db2.gz WSCJUOURPVEDEF-QMMMGPOBSA-N 0 3 241.243 1.972 20 5 BDBDHN CC(COC(=O)Cc1ccoc1)[N+](=O)[O-] ZINC000813113573 586594147 /nfs/dbraw/zinc/59/41/47/586594147.db2.gz GHWPQQZJTSNZHU-ZETCQYMHSA-N 0 3 213.189 1.031 20 5 BDBDHN CC(COC(=O)[C@H](C)C(C)(F)F)[N+](=O)[O-] ZINC000816091178 586707590 /nfs/dbraw/zinc/70/75/90/586707590.db2.gz NLVMKBGTKFDRNV-RITPCOANSA-N 0 3 225.191 1.486 20 5 BDBDHN CCNCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000818465790 586891899 /nfs/dbraw/zinc/89/18/99/586891899.db2.gz KWKBLJTUSMHBKG-UHFFFAOYSA-N 0 3 249.270 1.093 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1C(F)(F)F)[N+](=O)[O-] ZINC000835453335 587802834 /nfs/dbraw/zinc/80/28/34/587802834.db2.gz AQBCMLSUAPEBJG-HSUXUTPPSA-N 0 3 241.165 1.393 20 5 BDBDHN Cc1sccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835456385 587803218 /nfs/dbraw/zinc/80/32/18/587803218.db2.gz UPIOPNLTHDJTGQ-LURJTMIESA-N 0 3 229.257 1.879 20 5 BDBDHN CO[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000842363420 588021476 /nfs/dbraw/zinc/02/14/76/588021476.db2.gz ILGMWLYVGKJKSH-DTWKUNHWSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCC12CC2)[N+](=O)[O-] ZINC000860777827 589119514 /nfs/dbraw/zinc/11/95/14/589119514.db2.gz WZHSVEMYUSSQLQ-BDAKNGLRSA-N 0 3 227.260 1.775 20 5 BDBDHN CCO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000860776396 589119622 /nfs/dbraw/zinc/11/96/22/589119622.db2.gz DXOXROXWHIFXDP-RKDXNWHRSA-N 0 3 233.264 1.256 20 5 BDBDHN C/C=C\CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863582649 589301502 /nfs/dbraw/zinc/30/15/02/589301502.db2.gz PXMUOHDSXVPIIL-ZZKXABKFSA-N 0 3 236.271 1.794 20 5 BDBDHN Cc1c(CN[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000873129410 589985314 /nfs/dbraw/zinc/98/53/14/589985314.db2.gz LGAJRPRYEUMTDG-PHIMTYICSA-N 0 3 236.271 1.516 20 5 BDBDHN C[C@@H](Cc1ccc(O)cc1)NCC[N+](=O)[O-] ZINC000905178576 637684710 /nfs/dbraw/zinc/68/47/10/637684710.db2.gz XFJSCYYMGBBYTE-VIFPVBQESA-N 0 3 224.260 1.190 20 5 BDBDHN C[C@@H](c1ccccc1)[C@@H](O)CNCC[N+](=O)[O-] ZINC000905380511 637783297 /nfs/dbraw/zinc/78/32/97/637783297.db2.gz GMLQADIXUSRELZ-JQWIXIFHSA-N 0 3 238.287 1.017 20 5 BDBDHN CC1(C)CC[C@@H](CNCC[N+](=O)[O-])OC1 ZINC000905419278 637805327 /nfs/dbraw/zinc/80/53/27/637805327.db2.gz UUWIEQIEVATBLE-VIFPVBQESA-N 0 3 216.281 1.058 20 5 BDBDHN CSC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930557719 639810829 /nfs/dbraw/zinc/81/08/29/639810829.db2.gz CHFKZMFYVYTKMP-SECBINFHSA-N 0 3 218.322 1.338 20 5 BDBDHN CCO[C@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930627428 639831181 /nfs/dbraw/zinc/83/11/81/639831181.db2.gz HLLKBGCSGGZCPF-UWVGGRQHSA-N 0 3 228.292 1.200 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000931026026 640029618 /nfs/dbraw/zinc/02/96/18/640029618.db2.gz OMRBCGVGSIISQX-NWDGAFQWSA-N 0 3 242.319 1.544 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1CCOC12CCCCC2 ZINC000933876858 640779035 /nfs/dbraw/zinc/77/90/35/640779035.db2.gz OELDYCJXIYJFAC-JTQLQIEISA-N 0 3 228.292 1.345 20 5 BDBDHN O=[N+]([O-])CCN1CC[C@@H](C2CCOCC2)C1 ZINC000930096731 646432852 /nfs/dbraw/zinc/43/28/52/646432852.db2.gz JWHAVWIFNPHIHN-LLVKDONJSA-N 0 3 228.292 1.012 20 5 BDBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])ccn2)n1 ZINC001158346336 963851792 /nfs/dbraw/zinc/85/17/92/963851792.db2.gz XHYATKOYAQYHQI-SSDOTTSWSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1nc(N[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000161533257 967378892 /nfs/dbraw/zinc/37/88/92/967378892.db2.gz DFCGNHIQPSPIRR-VIFPVBQESA-N 0 3 236.275 1.414 20 5 BDBDHN CCC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581093 969741711 /nfs/dbraw/zinc/74/17/11/969741711.db2.gz KCEQVSVHYQTEOV-LLVKDONJSA-N 0 3 248.282 1.631 20 5 BDBDHN CC1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254581739 969744017 /nfs/dbraw/zinc/74/40/17/969744017.db2.gz LWLWRVPOPHYIIS-LLVKDONJSA-N 0 3 248.282 1.441 20 5 BDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1COC1 ZINC001173213505 975078298 /nfs/dbraw/zinc/07/82/98/975078298.db2.gz FVLHYBKVSPDADU-VIFPVBQESA-N 0 3 236.271 1.514 20 5 BDBDHN C[C@@H](NCC[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC001336819747 977982817 /nfs/dbraw/zinc/98/28/17/977982817.db2.gz GOTOLRUAISXZNZ-ZYHUDNBSSA-N 0 3 238.287 1.149 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C)n1 ZINC001343663068 980181097 /nfs/dbraw/zinc/18/10/97/980181097.db2.gz BGXDFJVZNWEXPB-SECBINFHSA-N 0 3 238.243 1.520 20 5 BDBDHN Cc1cc(N2CCN[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC001579623982 984297392 /nfs/dbraw/zinc/29/73/92/984297392.db2.gz PFAPHSWHSHJLEC-CMPLNLGQSA-N 0 3 233.271 1.454 20 5 BDBDHN C[C@@H]1COC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000688049049 985530921 /nfs/dbraw/zinc/53/09/21/985530921.db2.gz PFLOLAOFWISSIG-MWLCHTKSSA-N 0 3 236.271 1.719 20 5 BDBDHN CC(COC(=O)CCC1(C)CC1)[N+](=O)[O-] ZINC001515228969 989006645 /nfs/dbraw/zinc/00/66/45/989006645.db2.gz FADLAAXEVRSLGA-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)C[C@@H]1CC=CCC1)[N+](=O)[O-] ZINC001123042964 990496401 /nfs/dbraw/zinc/49/64/01/990496401.db2.gz UVTQREKDKCVIRT-NXEZZACHSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)C1(C)CCC(=O)CC1)[N+](=O)[O-] ZINC001123042955 990496648 /nfs/dbraw/zinc/49/66/48/990496648.db2.gz URKQMDWWYNFKAX-MRVPVSSYSA-N 0 3 243.259 1.344 20 5 BDBDHN COC[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000045657048 343532290 /nfs/dbraw/zinc/53/22/90/343532290.db2.gz ZPRLWVARKPHXMR-SNVBAGLBSA-N 0 3 238.287 1.967 20 5 BDBDHN C[C@H](CNCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000038088052 343942579 /nfs/dbraw/zinc/94/25/79/343942579.db2.gz RXTBUQYROXYBIK-SNVBAGLBSA-N 0 3 237.303 1.635 20 5 BDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000022211795 343929118 /nfs/dbraw/zinc/92/91/18/343929118.db2.gz PIGGJYJROHOKIN-UHFFFAOYSA-N 0 3 249.270 1.030 20 5 BDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])s1 ZINC000610469411 343963975 /nfs/dbraw/zinc/96/39/75/343963975.db2.gz FWUPZXDCDUITSH-UHFFFAOYSA-N 0 3 229.305 1.654 20 5 BDBDHN Cc1cc(N(C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000080685222 345431406 /nfs/dbraw/zinc/43/14/06/345431406.db2.gz ROUPDNDKZCILIH-UHFFFAOYSA-N 0 3 238.291 1.296 20 5 BDBDHN CC(C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000082687378 345680664 /nfs/dbraw/zinc/68/06/64/345680664.db2.gz GGXSXJQRXSAVCS-UHFFFAOYSA-N 0 3 230.289 1.517 20 5 BDBDHN Cc1cnc(N2CCNC[C@H]2C)c([N+](=O)[O-])c1 ZINC000203535529 345731516 /nfs/dbraw/zinc/73/15/16/345731516.db2.gz KYTHIHKQJUAHAS-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOC1 ZINC000591641860 347682464 /nfs/dbraw/zinc/68/24/64/347682464.db2.gz MFUYSHJNGWGDNF-LLVKDONJSA-N 0 3 236.271 1.782 20 5 BDBDHN C[C@@H](O)C1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597235576 348701304 /nfs/dbraw/zinc/70/13/04/348701304.db2.gz ZZVBIMOTLODCDD-SECBINFHSA-N 0 3 236.271 1.598 20 5 BDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2C[C@@H](O)C2)c1 ZINC000599006145 349074488 /nfs/dbraw/zinc/07/44/88/349074488.db2.gz DMWOBHYCGMOBQE-KLPPZKSPSA-N 0 3 236.271 1.455 20 5 BDBDHN O=[N+]([O-])c1cc(CNC[C@H]2C[C@@H](O)C2)cs1 ZINC000599006414 349074739 /nfs/dbraw/zinc/07/47/39/349074739.db2.gz HZHSXSWFGHXJMK-OTSSQURYSA-N 0 3 242.300 1.517 20 5 BDBDHN CC(C)[C@H](O)CNCc1csc([N+](=O)[O-])c1 ZINC000123927481 191076059 /nfs/dbraw/zinc/07/60/59/191076059.db2.gz SHGCWCFIUXLZLO-SECBINFHSA-N 0 3 244.316 1.763 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1C[C@H](C)N(C)C ZINC000331088702 180176426 /nfs/dbraw/zinc/17/64/26/180176426.db2.gz SGANLKSUWDZPHQ-ZETCQYMHSA-N 0 3 212.253 1.050 20 5 BDBDHN Cc1c(CN[C@H](C)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000231885602 351433453 /nfs/dbraw/zinc/43/34/53/351433453.db2.gz VEGBMRYUPRUHCW-NXEZZACHSA-N 0 3 238.287 1.762 20 5 BDBDHN CC(C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000310213388 188347152 /nfs/dbraw/zinc/34/71/52/188347152.db2.gz VKBANYOWBPMFDH-UHFFFAOYSA-N 0 3 242.250 1.594 20 5 BDBDHN C[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000035112431 355823304 /nfs/dbraw/zinc/82/33/04/355823304.db2.gz XJYJOXIBDHCEMH-MRVPVSSYSA-N 0 3 210.233 1.065 20 5 BDBDHN C[C@@H](NC[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000035601393 358002326 /nfs/dbraw/zinc/00/23/26/358002326.db2.gz UYSITTSMCYCVPO-DTWKUNHWSA-N 0 3 224.260 1.626 20 5 BDBDHN Cc1cc(N[C@H](C)CN(C)C)ncc1[N+](=O)[O-] ZINC000168933419 134248738 /nfs/dbraw/zinc/24/87/38/134248738.db2.gz JKDFHZWEBRPDNA-SECBINFHSA-N 0 3 238.291 1.660 20 5 BDBDHN O=C(CNCC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000037612114 364295753 /nfs/dbraw/zinc/29/57/53/364295753.db2.gz PXPADYKMDUOMIK-UHFFFAOYSA-N 0 3 249.270 1.533 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCOC1 ZINC000037738379 364559276 /nfs/dbraw/zinc/55/92/76/364559276.db2.gz AYIZDKZABOCNKF-SNVBAGLBSA-N 0 3 236.271 1.721 20 5 BDBDHN C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953448 369375031 /nfs/dbraw/zinc/37/50/31/369375031.db2.gz WENJHRWEMBZNBP-GXSJLCMTSA-N 0 3 236.271 1.862 20 5 BDBDHN Cc1ccc([C@H](C)NCCCO)cc1[N+](=O)[O-] ZINC000020188591 371241776 /nfs/dbraw/zinc/24/17/76/371241776.db2.gz YMVCSOOSRBZFFJ-JTQLQIEISA-N 0 3 238.287 1.936 20 5 BDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1 ZINC000082259295 182371916 /nfs/dbraw/zinc/37/19/16/182371916.db2.gz RUOXBIQIXYSLJM-NSHDSACASA-N 0 3 249.270 1.675 20 5 BDBDHN C[C@H](O)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000075776777 384338668 /nfs/dbraw/zinc/33/86/68/384338668.db2.gz YQIMERVFKQMCHB-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN CN(CCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285194060 384389503 /nfs/dbraw/zinc/38/95/03/384389503.db2.gz CPAWUTJZLAWKCJ-UHFFFAOYSA-N 0 3 238.287 1.452 20 5 BDBDHN C[C@H](CCO)CNCc1cccc([N+](=O)[O-])c1 ZINC000097436163 384519710 /nfs/dbraw/zinc/51/97/10/384519710.db2.gz SYPUZZLGSNULPH-SNVBAGLBSA-N 0 3 238.287 1.703 20 5 BDBDHN C[C@@H](CCO)CNCc1cccc([N+](=O)[O-])c1 ZINC000097436162 384519944 /nfs/dbraw/zinc/51/99/44/384519944.db2.gz SYPUZZLGSNULPH-JTQLQIEISA-N 0 3 238.287 1.703 20 5 BDBDHN C[C@H](NCCO)c1ccccc1[N+](=O)[O-] ZINC000020596832 384624401 /nfs/dbraw/zinc/62/44/01/384624401.db2.gz BFDQDPZQUCQCJM-QMMMGPOBSA-N 0 3 210.233 1.238 20 5 BDBDHN C[C@@H](NC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261863355 384892659 /nfs/dbraw/zinc/89/26/59/384892659.db2.gz RMNZJHAHUOKKLR-MRVPVSSYSA-N 0 3 249.270 1.674 20 5 BDBDHN CC[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994748 385685135 /nfs/dbraw/zinc/68/51/35/385685135.db2.gz ACUAUCPNZAUPFC-NSHDSACASA-N 0 3 238.287 1.764 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCN1CCC1 ZINC000344852836 386237349 /nfs/dbraw/zinc/23/73/49/386237349.db2.gz XDSYIWLDJHVVPS-UHFFFAOYSA-N 0 3 235.287 1.390 20 5 BDBDHN C[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000088195134 386890061 /nfs/dbraw/zinc/89/00/61/386890061.db2.gz AONVLPVFUXAFEW-SECBINFHSA-N 0 3 224.260 1.313 20 5 BDBDHN Cc1ccc([C@H](C)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000035602294 387374139 /nfs/dbraw/zinc/37/41/39/387374139.db2.gz OSFXOTKADJIUEH-ZJUUUORDSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCO ZINC000272377045 388419336 /nfs/dbraw/zinc/41/93/36/388419336.db2.gz VJBYCVNYDWQUEY-JTQLQIEISA-N 0 3 238.287 1.888 20 5 BDBDHN CN(C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193366525 388861101 /nfs/dbraw/zinc/86/11/01/388861101.db2.gz JSCHUQUUVTUHHN-UHFFFAOYSA-N 0 3 224.264 1.151 20 5 BDBDHN COc1ccc([N+](=O)[O-])c(N2CCNCC2)c1 ZINC000083254078 132310731 /nfs/dbraw/zinc/31/07/31/132310731.db2.gz OPNPBKPQYCYBJH-UHFFFAOYSA-N 0 3 237.259 1.013 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC[C@@H]2C)c1 ZINC000261537513 135173793 /nfs/dbraw/zinc/17/37/93/135173793.db2.gz KDZSBYJJXGBIDR-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000261561119 135202304 /nfs/dbraw/zinc/20/23/04/135202304.db2.gz VDRAJOVVKLNBPZ-QMMMGPOBSA-N 0 3 239.250 1.532 20 5 BDBDHN CC1CCN(CCn2cnc([N+](=O)[O-])c2)CC1 ZINC000122793189 168183434 /nfs/dbraw/zinc/18/34/34/168183434.db2.gz HZBOXSNVRJTWMP-UHFFFAOYSA-N 0 3 238.291 1.523 20 5 BDBDHN CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157343005 168183616 /nfs/dbraw/zinc/18/36/16/168183616.db2.gz VLJOCSZALOCCNJ-UHFFFAOYSA-N 0 3 238.291 1.523 20 5 BDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)[C@@H](C)CN1 ZINC000226766700 177286867 /nfs/dbraw/zinc/28/68/67/177286867.db2.gz XBOCZKLNVBYKRR-RQJHMYQMSA-N 0 3 242.304 1.238 20 5 BDBDHN C[C@H]1C[C@H](O)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000340929676 177373617 /nfs/dbraw/zinc/37/36/17/177373617.db2.gz RTSMGQDBGYCPJR-CABZTGNLSA-N 0 3 236.271 1.550 20 5 BDBDHN COCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000531957722 323157734 /nfs/dbraw/zinc/15/77/34/323157734.db2.gz YHEZAWCQIHGJMJ-UHFFFAOYSA-N 0 3 236.271 1.863 20 5 BDBDHN C[C@H]1C[C@H](C)N1CCn1ccc([N+](=O)[O-])n1 ZINC000548097561 325429349 /nfs/dbraw/zinc/42/93/49/325429349.db2.gz PWDQDCHGIKWRTG-IUCAKERBSA-N 0 3 224.264 1.274 20 5 BDBDHN CCc1nc(O[C@@H](C)C[N+](C)(C)C)cc(=O)[n-]1 ZINC001226475952 974922253 /nfs/dbraw/zinc/92/22/53/974922253.db2.gz PAGAPDSGPCPSIF-VIFPVBQESA-O 0 3 240.327 1.218 20 5 BDBDHN Cc1ccc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102198 582580268 /nfs/dbraw/zinc/58/02/68/582580268.db2.gz PDCARQOTGKHUQD-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN Cc1cc(F)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103518 582580989 /nfs/dbraw/zinc/58/09/89/582580989.db2.gz CQHHDYBUDVGECK-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN CC[C@H](C(=O)OCC(C)[N+](=O)[O-])N(CC)CC ZINC000813115119 582592127 /nfs/dbraw/zinc/59/21/27/582592127.db2.gz KURSRBWXOFGJMP-VHSXEESVSA-N 0 3 246.307 1.315 20 5 BDBDHN CN1C[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893940407 583254546 /nfs/dbraw/zinc/25/45/46/583254546.db2.gz OHWMBLKFPAERRD-GXSJLCMTSA-N 0 3 248.286 1.130 20 5 BDBDHN CN1C[C@H]2CCN(c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000893941708 583255421 /nfs/dbraw/zinc/25/54/21/583255421.db2.gz VORIBYADGCBUAV-MFKMUULPSA-N 0 3 247.298 1.735 20 5 BDBDHN CN1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2)C1 ZINC000893940779 583255468 /nfs/dbraw/zinc/25/54/68/583255468.db2.gz QBFYRGOZOXSOBW-GWCFXTLKSA-N 0 3 247.298 1.735 20 5 BDBDHN O=[N+]([O-])c1ccccc1CCNCc1c[nH]cn1 ZINC000894300491 583415064 /nfs/dbraw/zinc/41/50/64/583415064.db2.gz ULWUZRQLKCGVNB-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN O=[N+]([O-])c1ccccc1CCNCc1cnc[nH]1 ZINC000894300491 583415068 /nfs/dbraw/zinc/41/50/68/583415068.db2.gz ULWUZRQLKCGVNB-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN CN1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000894882011 583544319 /nfs/dbraw/zinc/54/43/19/583544319.db2.gz QTPQHVWLKXNIKK-BETUJISGSA-N 0 3 247.298 1.878 20 5 BDBDHN O=[N+]([O-])CCN1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000899888043 584247818 /nfs/dbraw/zinc/24/78/18/584247818.db2.gz XYEJUVSQXCEDGP-WDEREUQCSA-N 0 3 210.277 1.384 20 5 BDBDHN CN(C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000742258742 585124438 /nfs/dbraw/zinc/12/44/38/585124438.db2.gz FKCDBXVFRJTQHV-UHFFFAOYSA-N 0 3 249.274 1.216 20 5 BDBDHN Cc1nsc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000797281978 586125050 /nfs/dbraw/zinc/12/50/50/586125050.db2.gz RTQQMCQWCNLERP-YFKPBYRVSA-N 0 3 244.272 1.582 20 5 BDBDHN CCc1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813099777 586591707 /nfs/dbraw/zinc/59/17/07/586591707.db2.gz CMWYMPWJKCZQII-ZETCQYMHSA-N 0 3 227.216 1.664 20 5 BDBDHN Cc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813100169 586591721 /nfs/dbraw/zinc/59/17/21/586591721.db2.gz OKKSOUYQEUMJQI-VIFPVBQESA-N 0 3 223.228 1.817 20 5 BDBDHN CC[C@H](C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102641 586592000 /nfs/dbraw/zinc/59/20/00/586592000.db2.gz HVYUGQLNSPBRCO-XHNCKOQMSA-N 0 3 217.265 1.877 20 5 BDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCCCC1 ZINC000813102331 586592024 /nfs/dbraw/zinc/59/20/24/586592024.db2.gz DTYCKTXNCMAART-SECBINFHSA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CCOC1)[N+](=O)[O-] ZINC000813102388 586592202 /nfs/dbraw/zinc/59/22/02/586592202.db2.gz QUVHMOCRRKSXHW-DTWKUNHWSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)C[C@@H]1C=CCCC1)[N+](=O)[O-] ZINC000813104755 586592414 /nfs/dbraw/zinc/59/24/14/586592414.db2.gz GVEXDJBUETUHTP-NXEZZACHSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)[C@H](C)OCC1CC1)[N+](=O)[O-] ZINC000813103685 586592480 /nfs/dbraw/zinc/59/24/80/586592480.db2.gz FFZMBLHXKDICEA-YUMQZZPRSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)[C@H]1CC1(C)C)[N+](=O)[O-] ZINC000813105289 586592540 /nfs/dbraw/zinc/59/25/40/586592540.db2.gz XMHJKAYONHPQRD-RNFRBKRXSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(COC(=O)c1cccc2cc[nH]c21)[N+](=O)[O-] ZINC000813106269 586592644 /nfs/dbraw/zinc/59/26/44/586592644.db2.gz BUIRXLAGDQDPQT-QMMMGPOBSA-N 0 3 248.238 1.990 20 5 BDBDHN CSC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106823 586592702 /nfs/dbraw/zinc/59/27/02/586592702.db2.gz IJDKZJNKDPTTEP-BQBZGAKWSA-N 0 3 221.278 1.194 20 5 BDBDHN CCS[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813107524 586592766 /nfs/dbraw/zinc/59/27/66/586592766.db2.gz RWFSILCQLBLDJR-IUCAKERBSA-N 0 3 249.332 1.973 20 5 BDBDHN CC[C@@H](SC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110267 586593105 /nfs/dbraw/zinc/59/31/05/586593105.db2.gz WDERPOVNJLQQAG-NKWVEPMBSA-N 0 3 221.278 1.336 20 5 BDBDHN CC(COC(=O)C[C@H](C)C1CC1)[N+](=O)[O-] ZINC000813108991 586593111 /nfs/dbraw/zinc/59/31/11/586593111.db2.gz DAVMISQDSVSGSG-YUMQZZPRSA-N 0 3 215.249 1.631 20 5 BDBDHN CC(COC(=O)/C=C\c1ccc[nH]1)[N+](=O)[O-] ZINC000813108877 586593231 /nfs/dbraw/zinc/59/32/31/586593231.db2.gz BMDQNSKHGKPSEJ-LGYSABEFSA-N 0 3 224.216 1.236 20 5 BDBDHN CC(COC(=O)C(C)(C)C1CC1)[N+](=O)[O-] ZINC000813111139 586593467 /nfs/dbraw/zinc/59/34/67/586593467.db2.gz OKIDZJZNXOMQFY-ZETCQYMHSA-N 0 3 215.249 1.631 20 5 BDBDHN CC(COC(=O)Cc1ccco1)[N+](=O)[O-] ZINC000813115706 586593677 /nfs/dbraw/zinc/59/36/77/586593677.db2.gz YHACUDDWUUNBCX-SSDOTTSWSA-N 0 3 213.189 1.031 20 5 BDBDHN CC(COC(=O)C[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813112754 586593973 /nfs/dbraw/zinc/59/39/73/586593973.db2.gz KLGOYAZXLFHIFV-IUCAKERBSA-N 0 3 231.248 1.154 20 5 BDBDHN CSCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115151 586594409 /nfs/dbraw/zinc/59/44/09/586594409.db2.gz LGTGRCXBIPZFDX-ZETCQYMHSA-N 0 3 221.278 1.338 20 5 BDBDHN Cc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115720 586594435 /nfs/dbraw/zinc/59/44/35/586594435.db2.gz YRDZPWMKGDQCJP-JTQLQIEISA-N 0 3 237.255 1.746 20 5 BDBDHN CC(COC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000816091520 586707484 /nfs/dbraw/zinc/70/74/84/586707484.db2.gz AFRZYXPIIFCFGW-CKEKPRIKSA-N 0 3 227.260 1.631 20 5 BDBDHN CO[C@@H]1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000816091127 586707492 /nfs/dbraw/zinc/70/74/92/586707492.db2.gz LTRNICGXNIKSBT-KXUCPTDWSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C1=CC[C@H](C)CC1)[N+](=O)[O-] ZINC000835454622 587803056 /nfs/dbraw/zinc/80/30/56/587803056.db2.gz LENSILJWXIWAKF-DTWKUNHWSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)CC1CC(F)(F)C1)[N+](=O)[O-] ZINC000835455956 587803380 /nfs/dbraw/zinc/80/33/80/587803380.db2.gz RBXUXCJOSICIDO-ZCFIWIBFSA-N 0 3 237.202 1.630 20 5 BDBDHN CC(COC(=O)C1CC2(CCC2)C1)[N+](=O)[O-] ZINC000842801784 588065158 /nfs/dbraw/zinc/06/51/58/588065158.db2.gz LTTKIYFNRFFRMI-MRVPVSSYSA-N 0 3 227.260 1.775 20 5 BDBDHN CNCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843493544 588115824 /nfs/dbraw/zinc/11/58/24/588115824.db2.gz DTHLKFLRTIRTKQ-UHFFFAOYSA-N 0 3 249.270 1.012 20 5 BDBDHN CC(COC(=O)C[C@@H](C)[C@H]1CCCO1)[N+](=O)[O-] ZINC000851036078 588584907 /nfs/dbraw/zinc/58/49/07/588584907.db2.gz FJIOQIWXFZRRFS-KXUCPTDWSA-N 0 3 245.275 1.400 20 5 BDBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CCC1 ZINC000851035920 588585499 /nfs/dbraw/zinc/58/54/99/588585499.db2.gz CJLXIMBHJXCIHD-VXNVDRBHSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)c1ccnn1C(F)F)[N+](=O)[O-] ZINC000851036280 588585610 /nfs/dbraw/zinc/58/56/10/588585610.db2.gz GKGKXIQOTUDGKO-RXMQYKEDSA-N 0 3 249.173 1.100 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000851037630 588585821 /nfs/dbraw/zinc/58/58/21/588585821.db2.gz YLRHGMSIGQVPEL-HXFLIBJXSA-N 0 3 213.233 1.241 20 5 BDBDHN CC(COC(=O)c1cnn(C2CC2)c1)[N+](=O)[O-] ZINC000860777092 589119465 /nfs/dbraw/zinc/11/94/65/589119465.db2.gz KKJUMKMVZQLORR-ZETCQYMHSA-N 0 3 239.231 1.040 20 5 BDBDHN CN(CCCF)CCn1cc([N+](=O)[O-])cn1 ZINC000887139022 592455853 /nfs/dbraw/zinc/45/58/53/592455853.db2.gz WRRANHGQIFDKFH-UHFFFAOYSA-N 0 3 230.243 1.083 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCF ZINC000887143962 592460660 /nfs/dbraw/zinc/46/06/60/592460660.db2.gz VYCQQHZHFGOLAM-UHFFFAOYSA-N 0 3 244.270 1.391 20 5 BDBDHN C[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000124215497 592717058 /nfs/dbraw/zinc/71/70/58/592717058.db2.gz XWMYBZZAXJVECF-MRVPVSSYSA-N 0 3 247.258 1.254 20 5 BDBDHN COc1ccccc1CCNCC[N+](=O)[O-] ZINC000905026619 637574843 /nfs/dbraw/zinc/57/48/43/637574843.db2.gz SYJGGBVBFCDVHV-UHFFFAOYSA-N 0 3 224.260 1.104 20 5 BDBDHN CC(C)(C)SCCNCC[N+](=O)[O-] ZINC000905090029 637589225 /nfs/dbraw/zinc/58/92/25/637589225.db2.gz RVFABLHYYKLNBN-UHFFFAOYSA-N 0 3 206.311 1.384 20 5 BDBDHN COc1ccc(CCNCC[N+](=O)[O-])cc1F ZINC000905096475 637633643 /nfs/dbraw/zinc/63/36/43/637633643.db2.gz JTGMZFHQESPGMS-UHFFFAOYSA-N 0 3 242.250 1.243 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2ccccc2)C1 ZINC000905243647 637703560 /nfs/dbraw/zinc/70/35/60/637703560.db2.gz LEFDLBXPLWBBNN-HAQNSBGRSA-N 0 3 220.272 1.799 20 5 BDBDHN O=[N+]([O-])CCNC[C@H](CCO)c1ccccc1 ZINC000905359753 637778229 /nfs/dbraw/zinc/77/82/29/637778229.db2.gz WINASCUWDYQPDS-LBPRGKRZSA-N 0 3 238.287 1.019 20 5 BDBDHN CCC[C@@H](CNCC[N+](=O)[O-])OCC ZINC000905391499 637786377 /nfs/dbraw/zinc/78/63/77/637786377.db2.gz VCNAGPUBFPGYBC-VIFPVBQESA-N 0 3 204.270 1.058 20 5 BDBDHN CC[C@H](CNCC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905558510 637847448 /nfs/dbraw/zinc/84/74/48/637847448.db2.gz RUBLYXFIIOCCEL-SECBINFHSA-N 0 3 246.307 1.221 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H](OC2CCC2)CC1 ZINC000931536368 640261593 /nfs/dbraw/zinc/26/15/93/640261593.db2.gz JUGNMTOGDWBPON-LBPRGKRZSA-N 0 3 242.319 1.687 20 5 BDBDHN CCC(CC)N(CCOC)CC[N+](=O)[O-] ZINC000929504537 646156827 /nfs/dbraw/zinc/15/68/27/646156827.db2.gz PSAWPVXFHPLEHQ-UHFFFAOYSA-N 0 3 218.297 1.400 20 5 BDBDHN CCCO[C@@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929603085 646194733 /nfs/dbraw/zinc/19/47/33/646194733.db2.gz BUHMIKCSRGXHSV-LLVKDONJSA-N 0 3 230.308 1.544 20 5 BDBDHN C[C@H](Cc1ccsc1)NCC[N+](=O)[O-] ZINC000899872602 711803731 /nfs/dbraw/zinc/80/37/31/711803731.db2.gz CHYDGYPGYLXKGZ-MRVPVSSYSA-N 0 3 214.290 1.545 20 5 BDBDHN C[C@@H](Cc1ccsc1)NCC[N+](=O)[O-] ZINC000899872603 711803799 /nfs/dbraw/zinc/80/37/99/711803799.db2.gz CHYDGYPGYLXKGZ-QMMMGPOBSA-N 0 3 214.290 1.545 20 5 BDBDHN O=[N+]([O-])c1cc2c(cc1NCC(F)F)CNC2 ZINC001161815744 967654096 /nfs/dbraw/zinc/65/40/96/967654096.db2.gz OZRHWKBUYGIMRA-UHFFFAOYSA-N 0 3 243.213 1.875 20 5 BDBDHN C[C@H](N)c1nccn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956870 969306532 /nfs/dbraw/zinc/30/65/32/969306532.db2.gz CIMYLZXTYANERM-IVZWLZJFSA-N 0 3 238.291 1.521 20 5 BDBDHN Cc1cc(CN)nn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968227 969320870 /nfs/dbraw/zinc/32/08/70/969320870.db2.gz XOMBVGYOPXKZAW-MWLCHTKSSA-N 0 3 238.291 1.268 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001169007573 969333039 /nfs/dbraw/zinc/33/30/39/969333039.db2.gz OEYIHBVLRYXHHY-FIQHERPVSA-N 0 3 240.303 1.295 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCC23COC3)C1 ZINC001169034546 969354657 /nfs/dbraw/zinc/35/46/57/969354657.db2.gz HOPHASQEZLGERC-MNOVXSKESA-N 0 3 240.303 1.297 20 5 BDBDHN CC1(C)COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037702 969355144 /nfs/dbraw/zinc/35/51/44/969355144.db2.gz SXMMAXQIQCWPLK-QWRGUYRKSA-N 0 3 242.319 1.543 20 5 BDBDHN O=C1CCCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169021009 969361195 /nfs/dbraw/zinc/36/11/95/969361195.db2.gz NECWRFHFADIJHN-WDEREUQCSA-N 0 3 240.303 1.487 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(C(F)F)C2)C1 ZINC001169053553 969371745 /nfs/dbraw/zinc/37/17/45/969371745.db2.gz ILKFFDHXSIYKIT-IONNQARKSA-N 0 3 234.246 1.629 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCCF)C2 ZINC001254572821 969741686 /nfs/dbraw/zinc/74/16/86/969741686.db2.gz SOPPCSHYKDZRSG-SNVBAGLBSA-N 0 3 224.235 1.621 20 5 BDBDHN CCN1CC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628643 974605581 /nfs/dbraw/zinc/60/55/81/974605581.db2.gz RDFZNIZIQIIPRS-VIFPVBQESA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1cccc(O[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001225632399 974606906 /nfs/dbraw/zinc/60/69/06/974606906.db2.gz IYQVYSSQXYKZJU-SNVBAGLBSA-N 0 3 236.271 1.986 20 5 BDBDHN CC(COC(=O)[C@@H]1CCO[C@H]1C1CC1)[N+](=O)[O-] ZINC001346122484 980759447 /nfs/dbraw/zinc/75/94/47/980759447.db2.gz AXYXLKYUZNGPAM-QNSHHTMESA-N 0 3 243.259 1.010 20 5 BDBDHN C[C@@H](N)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001358142460 983831188 /nfs/dbraw/zinc/83/11/88/983831188.db2.gz MOTDCNXDLOAQHI-SFYZADRCSA-N 0 3 237.259 1.119 20 5 BDBDHN C[C@H]1CC[C@@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC001119805217 989413310 /nfs/dbraw/zinc/41/33/10/989413310.db2.gz GVJKIHQPJBOJJI-WDEREUQCSA-N 0 3 212.293 1.775 20 5 BDBDHN Cc1cc(NCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000228442155 178161979 /nfs/dbraw/zinc/16/19/79/178161979.db2.gz NCXLEHNOQUCURS-UHFFFAOYSA-N 0 3 247.254 1.856 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCO1 ZINC000054978535 398282303 /nfs/dbraw/zinc/28/23/03/398282303.db2.gz KMLUTRCPYKPODW-NSHDSACASA-N 0 3 236.271 1.863 20 5 BDBDHN CC(C)(CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000126378695 343894369 /nfs/dbraw/zinc/89/43/69/343894369.db2.gz YWFIFXNEQMWRAY-UHFFFAOYSA-N 0 3 238.287 1.703 20 5 BDBDHN C[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492255 348062750 /nfs/dbraw/zinc/06/27/50/348062750.db2.gz FWUIJOMYHXGDFZ-KCJUWKMLSA-N 0 3 236.271 1.553 20 5 BDBDHN C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000599104862 349094424 /nfs/dbraw/zinc/09/44/24/349094424.db2.gz PHORXTGBMMUVPD-OCAPTIKFSA-N 0 3 241.316 1.843 20 5 BDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCO ZINC000050508338 350349676 /nfs/dbraw/zinc/34/96/76/350349676.db2.gz XTHSZLXZMGFMKN-JTQLQIEISA-N 0 3 238.287 1.970 20 5 BDBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386898603 363059045 /nfs/dbraw/zinc/05/90/45/363059045.db2.gz OKQWXDAODNTXJF-JOYOIKCWSA-N 0 3 238.287 1.844 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(N)CC1 ZINC000088130038 356531431 /nfs/dbraw/zinc/53/14/31/356531431.db2.gz OQSNNIGNGDVHRK-UHFFFAOYSA-N 0 3 235.243 1.333 20 5 BDBDHN CN(C)CCN(C)c1ccsc1[N+](=O)[O-] ZINC000610469439 357947484 /nfs/dbraw/zinc/94/74/84/357947484.db2.gz QAAVWLDEEVNNLR-UHFFFAOYSA-N 0 3 229.305 1.654 20 5 BDBDHN CC1(C)CN(c2ncccc2[N+](=O)[O-])CCN1 ZINC000212819097 359332357 /nfs/dbraw/zinc/33/23/57/359332357.db2.gz VPUUVKMWRZAJSU-UHFFFAOYSA-N 0 3 236.275 1.178 20 5 BDBDHN CN(C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578453434 366573255 /nfs/dbraw/zinc/57/32/55/366573255.db2.gz SNIWJNOWBDBDEU-GFCCVEGCSA-N 0 3 249.314 1.733 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1C[C@@H](O)C1 ZINC000574414039 365057471 /nfs/dbraw/zinc/05/74/71/365057471.db2.gz KEMQYOVFKJGXOM-VDDIYKPWSA-N 0 3 248.282 1.695 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCN1CCCC1 ZINC000020127024 371232368 /nfs/dbraw/zinc/23/23/68/371232368.db2.gz HSJOZHRTUBTTEU-UHFFFAOYSA-N 0 3 249.314 1.780 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[C@H]1C ZINC000602832749 371845919 /nfs/dbraw/zinc/84/59/19/371845919.db2.gz QVGZMLDWWLPOEQ-RKDXNWHRSA-N 0 3 238.291 1.440 20 5 BDBDHN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H](C)N1 ZINC000132559872 371860995 /nfs/dbraw/zinc/86/09/95/371860995.db2.gz SCBPARAAWQYGEO-DTORHVGOSA-N 0 3 236.275 1.176 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000603086702 371866758 /nfs/dbraw/zinc/86/67/58/371866758.db2.gz ICGJPWZTIPIUEF-DGCLKSJQSA-N 0 3 248.282 1.204 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCn2ccnc2)c1 ZINC000041063670 374102675 /nfs/dbraw/zinc/10/26/75/374102675.db2.gz FKYZRFMLKRFBEQ-UHFFFAOYSA-N 0 3 246.270 1.581 20 5 BDBDHN CCN(CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000135417279 384045271 /nfs/dbraw/zinc/04/52/71/384045271.db2.gz NAEVOKGTTYRBNF-UHFFFAOYSA-N 0 3 238.287 1.799 20 5 BDBDHN O=[N+]([O-])c1cc(CNCCN2CCC2)cs1 ZINC000336667497 384252195 /nfs/dbraw/zinc/25/21/95/384252195.db2.gz FTEPTQNLTPSCAP-UHFFFAOYSA-N 0 3 241.316 1.452 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCc2cn[nH]c2)c1 ZINC000289801089 384302442 /nfs/dbraw/zinc/30/24/42/384302442.db2.gz KYPBOHNQMSYFDK-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN CCC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000134554576 384352989 /nfs/dbraw/zinc/35/29/89/384352989.db2.gz LFPGHBKHLAZXDT-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC2)cc1 ZINC000070967471 384486741 /nfs/dbraw/zinc/48/67/41/384486741.db2.gz LBRPWUZIYWZXOE-SNVBAGLBSA-N 0 3 222.244 1.473 20 5 BDBDHN CN(C)C/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264666715 385083506 /nfs/dbraw/zinc/08/35/06/385083506.db2.gz XJZVITIABMIMRQ-QPJJXVBHSA-N 0 3 249.270 1.651 20 5 BDBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000397852074 385724619 /nfs/dbraw/zinc/72/46/19/385724619.db2.gz KIDVWUAQUMKQTH-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN2CCC23CCC3)n1 ZINC000357937441 386202202 /nfs/dbraw/zinc/20/22/02/386202202.db2.gz WQGLVNIEGYBQSW-UHFFFAOYSA-N 0 3 236.275 1.420 20 5 BDBDHN Cc1ccc([C@H](C)N[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000035602292 387374265 /nfs/dbraw/zinc/37/42/65/387374265.db2.gz OSFXOTKADJIUEH-UWVGGRQHSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1ccc([C@@H](C)NC(=O)CN)cc1[N+](=O)[O-] ZINC000237589469 387721949 /nfs/dbraw/zinc/72/19/49/387721949.db2.gz IUUZIRACGZWOMJ-MRVPVSSYSA-N 0 3 237.259 1.039 20 5 BDBDHN C[C@H](NCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177221 388192546 /nfs/dbraw/zinc/19/25/46/388192546.db2.gz QAOQNVCJLNLBDX-QMMMGPOBSA-N 0 3 210.233 1.238 20 5 BDBDHN C[C@@H](O)CCCNCc1csc([N+](=O)[O-])c1 ZINC000227952946 388374055 /nfs/dbraw/zinc/37/40/55/388374055.db2.gz REICTVXSKPYHFR-MRVPVSSYSA-N 0 3 244.316 1.907 20 5 BDBDHN C[C@H](CO)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000123226262 388637411 /nfs/dbraw/zinc/63/74/11/388637411.db2.gz SVCOHLUHENLJET-ZJUUUORDSA-N 0 3 238.287 1.701 20 5 BDBDHN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1[N+](=O)[O-] ZINC000424074205 388694280 /nfs/dbraw/zinc/69/42/80/388694280.db2.gz GSPKRVSXICLVKS-BDAKNGLRSA-N 0 3 235.243 1.189 20 5 BDBDHN C[C@H](NCCO)c1cccc([N+](=O)[O-])c1 ZINC000020360730 388763738 /nfs/dbraw/zinc/76/37/38/388763738.db2.gz QFUSQBAIJZLQPX-QMMMGPOBSA-N 0 3 210.233 1.238 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CO ZINC000129339123 388833077 /nfs/dbraw/zinc/83/30/77/388833077.db2.gz DTOFQDJCRMCDLW-ZJUUUORDSA-N 0 3 238.287 1.935 20 5 BDBDHN C[C@H](O)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000087129588 135502558 /nfs/dbraw/zinc/50/25/58/135502558.db2.gz QAXMMDQTKQKQNP-IUCAKERBSA-N 0 3 224.260 1.454 20 5 BDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000489424513 411581713 /nfs/dbraw/zinc/58/17/13/411581713.db2.gz LDMXNVGJIXXLML-SNVBAGLBSA-N 0 3 238.291 1.522 20 5 BDBDHN CC(C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102492 586591977 /nfs/dbraw/zinc/59/19/77/586591977.db2.gz GFOZCMDGCHSMRP-SFYZADRCSA-N 0 3 203.238 1.487 20 5 BDBDHN CCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104773 582581098 /nfs/dbraw/zinc/58/10/98/582581098.db2.gz REPSTXLYOWCUJS-QMMMGPOBSA-N 0 3 203.238 1.775 20 5 BDBDHN COC[C@H](C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112988 582590011 /nfs/dbraw/zinc/59/00/11/582590011.db2.gz NCSNUWSUXFGSDE-YIZRAAEISA-N 0 3 233.264 1.113 20 5 BDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000893934581 583252552 /nfs/dbraw/zinc/25/25/52/583252552.db2.gz IDNMCALKBJNFIO-MWLCHTKSSA-N 0 3 248.286 1.130 20 5 BDBDHN Cc1ccccc1C[C@H](C)NCC[N+](=O)[O-] ZINC000899871417 584244802 /nfs/dbraw/zinc/24/48/02/584244802.db2.gz QMGZZFJIAKBNBA-NSHDSACASA-N 0 3 222.288 1.792 20 5 BDBDHN O=[N+]([O-])CCN1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000899888042 584247375 /nfs/dbraw/zinc/24/73/75/584247375.db2.gz XYEJUVSQXCEDGP-QWRGUYRKSA-N 0 3 210.277 1.384 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CC=CCC1)[N+](=O)[O-] ZINC000835455207 584926137 /nfs/dbraw/zinc/92/61/37/584926137.db2.gz NCLWCEQRSOGZCY-ONGXEEELSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)c1ncccc1Cl)[N+](=O)[O-] ZINC000797279088 586125007 /nfs/dbraw/zinc/12/50/07/586125007.db2.gz IJBUVSGFWIGBDE-LURJTMIESA-N 0 3 244.634 1.557 20 5 BDBDHN Cc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813100168 586591811 /nfs/dbraw/zinc/59/18/11/586591811.db2.gz OKKSOUYQEUMJQI-SECBINFHSA-N 0 3 223.228 1.817 20 5 BDBDHN CC(COC(=O)c1cc(F)cc(F)c1)[N+](=O)[O-] ZINC000813100734 586591813 /nfs/dbraw/zinc/59/18/13/586591813.db2.gz WDVXTXVFMFIUGS-LURJTMIESA-N 0 3 245.181 1.787 20 5 BDBDHN CCCSCC(=O)OCC(C)[N+](=O)[O-] ZINC000813101769 586591901 /nfs/dbraw/zinc/59/19/01/586591901.db2.gz IKJUXMRKCDLJLA-ZETCQYMHSA-N 0 3 221.278 1.338 20 5 BDBDHN CC(COC(=O)C[C@@H]1C=CCC1)[N+](=O)[O-] ZINC000813101513 586592105 /nfs/dbraw/zinc/59/21/05/586592105.db2.gz CEILSLILODCVRL-RKDXNWHRSA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)[C@@H]1CC1(C)C)[N+](=O)[O-] ZINC000813105291 586592318 /nfs/dbraw/zinc/59/23/18/586592318.db2.gz XMHJKAYONHPQRD-RQJHMYQMSA-N 0 3 201.222 1.241 20 5 BDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813104208 586592324 /nfs/dbraw/zinc/59/23/24/586592324.db2.gz YAKBWJXLPUVEHR-QMMMGPOBSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)C[C@H]1C=CCCC1)[N+](=O)[O-] ZINC000813104761 586592364 /nfs/dbraw/zinc/59/23/64/586592364.db2.gz GVEXDJBUETUHTP-ZJUUUORDSA-N 0 3 227.260 1.941 20 5 BDBDHN Cc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105180 586592434 /nfs/dbraw/zinc/59/24/34/586592434.db2.gz KDDVQASATLRYHC-QMMMGPOBSA-N 0 3 224.216 1.212 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813105578 586592444 /nfs/dbraw/zinc/59/24/44/586592444.db2.gz PKKXBPROOQAHGC-ZETCQYMHSA-N 0 3 227.216 1.339 20 5 BDBDHN CC(COC(=O)[C@H]1O[C@H](C)C[C@@H]1C)[N+](=O)[O-] ZINC000813105488 586592554 /nfs/dbraw/zinc/59/25/54/586592554.db2.gz ZUKFQWCZJOQHDN-MAUMQABQSA-N 0 3 231.248 1.008 20 5 BDBDHN CCN1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104204 586592582 /nfs/dbraw/zinc/59/25/82/586592582.db2.gz YABOUQXGMRJTIB-ZJUUUORDSA-N 0 3 244.291 1.069 20 5 BDBDHN CC(COC(=O)[C@@H](F)c1ccccc1)[N+](=O)[O-] ZINC000813105979 586592854 /nfs/dbraw/zinc/59/28/54/586592854.db2.gz WWRZMKSASYRTCB-WPRPVWTQSA-N 0 3 241.218 1.906 20 5 BDBDHN CC(COC(=O)C1(C)CCOCC1)[N+](=O)[O-] ZINC000813107684 586592892 /nfs/dbraw/zinc/59/28/92/586592892.db2.gz UEKCYIAAMCWDOK-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000813109623 586593073 /nfs/dbraw/zinc/59/30/73/586593073.db2.gz NHHJWLNCGCUHGO-QMMMGPOBSA-N 0 3 224.216 1.212 20 5 BDBDHN CSC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813110067 586593183 /nfs/dbraw/zinc/59/31/83/586593183.db2.gz ZDSCLXPTWYJQKF-ZCFIWIBFSA-N 0 3 219.262 1.090 20 5 BDBDHN CCC/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813109369 586593225 /nfs/dbraw/zinc/59/32/25/586593225.db2.gz JKYWWHAMXZCQBG-RPSMYOMKSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813109592 586593255 /nfs/dbraw/zinc/59/32/55/586593255.db2.gz MUCQFWYTOZZGMG-SSDOTTSWSA-N 0 3 227.191 1.648 20 5 BDBDHN Cc1nc(CC(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813111549 586593509 /nfs/dbraw/zinc/59/35/09/586593509.db2.gz UOSYDRJBSKHNTA-LURJTMIESA-N 0 3 244.272 1.202 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813111134 586593689 /nfs/dbraw/zinc/59/36/89/586593689.db2.gz OHYITPDKHNQARZ-LURJTMIESA-N 0 3 229.257 1.879 20 5 BDBDHN CC(COC(=O)Cc1ccco1)[N+](=O)[O-] ZINC000813115707 586593770 /nfs/dbraw/zinc/59/37/70/586593770.db2.gz YHACUDDWUUNBCX-ZETCQYMHSA-N 0 3 213.189 1.031 20 5 BDBDHN CC[C@@H]1CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])O1 ZINC000813114400 586593808 /nfs/dbraw/zinc/59/38/08/586593808.db2.gz ANSOSPVDEQZDJT-YIZRAAEISA-N 0 3 231.248 1.152 20 5 BDBDHN CC(COC(=O)c1cnn2ccccc12)[N+](=O)[O-] ZINC000813113920 586593873 /nfs/dbraw/zinc/59/38/73/586593873.db2.gz WFXFLNSOKHSYQJ-QMMMGPOBSA-N 0 3 249.226 1.156 20 5 BDBDHN CCCCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113305 586593884 /nfs/dbraw/zinc/59/38/84/586593884.db2.gz PKCOPAVNEMVNGY-BDAKNGLRSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)CC1CCCC1)[N+](=O)[O-] ZINC000813115330 586594204 /nfs/dbraw/zinc/59/42/04/586594204.db2.gz PDVUBAPHOTWOAY-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)CC1CCCC1)[N+](=O)[O-] ZINC000813115331 586594396 /nfs/dbraw/zinc/59/43/96/586594396.db2.gz PDVUBAPHOTWOAY-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN COCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552668 586687988 /nfs/dbraw/zinc/68/79/88/586687988.db2.gz HJGSCJPSBNRYIH-MRVPVSSYSA-N 0 3 239.275 1.474 20 5 BDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000816091234 586707562 /nfs/dbraw/zinc/70/75/62/586707562.db2.gz OXIZTFKIOLZREJ-RXMQYKEDSA-N 0 3 228.204 1.113 20 5 BDBDHN CC(COC(=O)c1cncc(Cl)c1)[N+](=O)[O-] ZINC000835457063 587803196 /nfs/dbraw/zinc/80/31/96/587803196.db2.gz WKRDHOASXVVFMN-ZCFIWIBFSA-N 0 3 244.634 1.557 20 5 BDBDHN Cc1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835455814 587803382 /nfs/dbraw/zinc/80/33/82/587803382.db2.gz PFXMJLFFMAJXRK-ZETCQYMHSA-N 0 3 229.257 1.879 20 5 BDBDHN CC/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000835457689 587803391 /nfs/dbraw/zinc/80/33/91/587803391.db2.gz YYUWZCYXYABCBS-GRKOMRHMSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)C1(C(F)F)CC1)[N+](=O)[O-] ZINC000842801530 588065053 /nfs/dbraw/zinc/06/50/53/588065053.db2.gz JZTCPHKLOKIUBA-RXMQYKEDSA-N 0 3 223.175 1.240 20 5 BDBDHN CC(COC(=O)[C@H]1CCC1(C)C)[N+](=O)[O-] ZINC000851037550 588582646 /nfs/dbraw/zinc/58/26/46/588582646.db2.gz WKXRRUOGTYOXPT-JGVFFNPUSA-N 0 3 215.249 1.631 20 5 BDBDHN CO[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000851037138 588585792 /nfs/dbraw/zinc/58/57/92/588585792.db2.gz QGUMRAMEGZXHTF-XHNCKOQMSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(C)c1nocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777210 589119361 /nfs/dbraw/zinc/11/93/61/589119361.db2.gz MJNRPVPBLOLNDV-SSDOTTSWSA-N 0 3 242.231 1.620 20 5 BDBDHN CN(C)CCN(C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882046110 591291670 /nfs/dbraw/zinc/29/16/70/591291670.db2.gz SFEBVTCPZBFJNH-UHFFFAOYSA-N 0 3 242.254 1.127 20 5 BDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886346477 592213560 /nfs/dbraw/zinc/21/35/60/592213560.db2.gz JNUDNBKZKHXBNL-LOWVWBTDSA-N 0 3 248.282 1.580 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H]2CO)cc1 ZINC000934024325 631597312 /nfs/dbraw/zinc/59/73/12/631597312.db2.gz PWQSDFKHUJZDCM-LBPRGKRZSA-N 0 3 236.271 1.204 20 5 BDBDHN C[C@H](CNCC[N+](=O)[O-])N(C)c1ccccc1 ZINC000905050664 637569464 /nfs/dbraw/zinc/56/94/64/637569464.db2.gz WENZAVYGHONBMY-LLVKDONJSA-N 0 3 237.303 1.378 20 5 BDBDHN Cc1nc(C)c(CCNCC[N+](=O)[O-])s1 ZINC000905101517 637610329 /nfs/dbraw/zinc/61/03/29/637610329.db2.gz KOHTUXPMYIBZTF-UHFFFAOYSA-N 0 3 229.305 1.169 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccncc1 ZINC000905190529 637672300 /nfs/dbraw/zinc/67/23/00/637672300.db2.gz LZUBABOHNSUTCR-UHFFFAOYSA-N 0 3 223.276 1.226 20 5 BDBDHN O=[N+]([O-])CCNCC1(C(F)(F)F)CC1 ZINC000905255442 637712811 /nfs/dbraw/zinc/71/28/11/637712811.db2.gz HYKIFFDPKMSKHU-UHFFFAOYSA-N 0 3 212.171 1.195 20 5 BDBDHN C[C@H](C[C@@H](O)c1ccccc1)NCC[N+](=O)[O-] ZINC000905362543 637787778 /nfs/dbraw/zinc/78/77/78/637787778.db2.gz UYFTXMIRSICIJX-ZYHUDNBSSA-N 0 3 238.287 1.365 20 5 BDBDHN CCO[C@@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930627429 639828114 /nfs/dbraw/zinc/82/81/14/639828114.db2.gz HLLKBGCSGGZCPF-VHSXEESVSA-N 0 3 228.292 1.200 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000931557678 640272601 /nfs/dbraw/zinc/27/26/01/640272601.db2.gz WXXYJXZESDZHQR-HTQZYQBOSA-N 0 3 238.209 1.750 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCO)cc1Cl ZINC000185315601 643290970 /nfs/dbraw/zinc/29/09/70/643290970.db2.gz NUKMHNFGXRRWFT-UHFFFAOYSA-N 0 3 230.651 1.330 20 5 BDBDHN CC(COC(=O)CCc1ccoc1)[N+](=O)[O-] ZINC000813115383 643414267 /nfs/dbraw/zinc/41/42/67/643414267.db2.gz QNPSJYFDDMVDCJ-QMMMGPOBSA-N 0 3 227.216 1.421 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CC23CC(O)C3)c1 ZINC000724932529 711630339 /nfs/dbraw/zinc/63/03/39/711630339.db2.gz WWFSJWYDWIRORI-OTTFEQOBSA-N 0 3 248.282 1.598 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC23CC(O)C3)cc1 ZINC000724931366 711630492 /nfs/dbraw/zinc/63/04/92/711630492.db2.gz NGJKQUBZSNLMFC-OTTFEQOBSA-N 0 3 248.282 1.598 20 5 BDBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000719575539 712811657 /nfs/dbraw/zinc/81/16/57/712811657.db2.gz PSFAYFBVOYILHU-PSASIEDQSA-N 0 3 236.275 1.494 20 5 BDBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000719575543 712812043 /nfs/dbraw/zinc/81/20/43/712812043.db2.gz PSFAYFBVOYILHU-SCZZXKLOSA-N 0 3 236.275 1.494 20 5 BDBDHN NC1=CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984745 969300770 /nfs/dbraw/zinc/30/07/70/969300770.db2.gz AENHBQFHIVLGTN-GXSJLCMTSA-N 0 3 223.276 1.104 20 5 BDBDHN CC[C@@H]1COCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039133 969356740 /nfs/dbraw/zinc/35/67/40/969356740.db2.gz NMWRUSJMLYYSNN-IJLUTSLNSA-N 0 3 242.319 1.543 20 5 BDBDHN Cc1nc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158346376 963852386 /nfs/dbraw/zinc/85/23/86/963852386.db2.gz YLRHSLQYEQUYHY-ZETCQYMHSA-N 0 3 247.258 1.504 20 5 BDBDHN C[C@H](N)c1nccn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956866 969308295 /nfs/dbraw/zinc/30/82/95/969308295.db2.gz CIMYLZXTYANERM-AEJSXWLSSA-N 0 3 238.291 1.521 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011960 969338068 /nfs/dbraw/zinc/33/80/68/969338068.db2.gz NWYPINFWVICIAU-SVNGYHJRSA-N 0 3 242.294 1.722 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H](F)C2)C1 ZINC001169027414 969344444 /nfs/dbraw/zinc/34/44/44/969344444.db2.gz PKHSMTMEKVCVOP-GMTAPVOTSA-N 0 3 230.283 1.866 20 5 BDBDHN CC[C@@H]1COCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039136 969357554 /nfs/dbraw/zinc/35/75/54/969357554.db2.gz NMWRUSJMLYYSNN-TUAOUCFPSA-N 0 3 242.319 1.543 20 5 BDBDHN CN(Cc1ccno1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046893 969366023 /nfs/dbraw/zinc/36/60/23/969366023.db2.gz OFOZNKKQHSOUPC-VHSXEESVSA-N 0 3 239.275 1.552 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@H]2C[C@H]2C[C@H]1C)[N+](=O)[O-] ZINC001344808834 980471557 /nfs/dbraw/zinc/47/15/57/980471557.db2.gz UTXCAEJSGQKNPA-QGKZMRNZSA-N 0 3 241.287 1.877 20 5 BDBDHN Cc1cc(CCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC001525758929 990066416 /nfs/dbraw/zinc/06/64/16/990066416.db2.gz DJSSPALQWRRYEG-ZETCQYMHSA-N 0 3 242.231 1.124 20 5 BDBDHN CCc1ncoc1C(=O)OCC(C)[N+](=O)[O-] ZINC001525760146 990066957 /nfs/dbraw/zinc/06/69/57/990066957.db2.gz VSANZIHIKUODOH-ZCFIWIBFSA-N 0 3 228.204 1.059 20 5 BDBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)C2CC2)c1 ZINC000071300346 398146381 /nfs/dbraw/zinc/14/63/81/398146381.db2.gz HNFISTIYMLUPBN-LBPRGKRZSA-N 0 3 236.271 1.455 20 5 BDBDHN CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000037248238 361777157 /nfs/dbraw/zinc/77/71/57/361777157.db2.gz XPVBXANCWCYHQQ-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](C)O ZINC000187823798 178270840 /nfs/dbraw/zinc/27/08/40/178270840.db2.gz JYZZTKGBHAMDMD-JTQLQIEISA-N 0 3 238.287 1.716 20 5 BDBDHN O=[N+]([O-])c1cnccc1N1CCN2CCC[C@H]2C1 ZINC000608973084 342855973 /nfs/dbraw/zinc/85/59/73/342855973.db2.gz XZWYJGCLCREDFS-JTQLQIEISA-N 0 3 248.286 1.274 20 5 BDBDHN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000120156849 398337028 /nfs/dbraw/zinc/33/70/28/398337028.db2.gz ZNUXQIJYEXMHRP-GFCCVEGCSA-N 0 3 236.271 1.863 20 5 BDBDHN CC[C@@H](C)[C@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602806098 349769775 /nfs/dbraw/zinc/76/97/75/349769775.db2.gz OXROWNZDOJGVRJ-BDAKNGLRSA-N 0 3 240.307 1.853 20 5 BDBDHN C[C@@H](O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000136363686 346201314 /nfs/dbraw/zinc/20/13/14/346201314.db2.gz HLDZEFHESYKEKD-VHSXEESVSA-N 0 3 238.287 1.844 20 5 BDBDHN Cc1cccc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000275403171 179122516 /nfs/dbraw/zinc/12/25/16/179122516.db2.gz FGXTZSNNHCGHOZ-UHFFFAOYSA-N 0 3 235.287 1.653 20 5 BDBDHN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)N3)nc1 ZINC000591435612 347659814 /nfs/dbraw/zinc/65/98/14/347659814.db2.gz NNCHIWFFGHSNDQ-AOOOYVTPSA-N 0 3 248.286 1.321 20 5 BDBDHN C[C@H](NC/C=C\CO)c1ccc([N+](=O)[O-])cc1 ZINC000595073152 348188619 /nfs/dbraw/zinc/18/86/19/348188619.db2.gz SKJZGROZCHVMGL-ZMWSMAPVSA-N 0 3 236.271 1.794 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CC2CN(C)C2)c1 ZINC000596452065 348552070 /nfs/dbraw/zinc/55/20/70/348552070.db2.gz AQXMLGVTWFZXQP-UHFFFAOYSA-N 0 3 249.314 1.901 20 5 BDBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CN(C)C1 ZINC000597203387 348676979 /nfs/dbraw/zinc/67/69/79/348676979.db2.gz OXQHTDFSMUQDHC-UHFFFAOYSA-N 0 3 249.314 1.588 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1C[C@@H](O)C1 ZINC000599007693 349075226 /nfs/dbraw/zinc/07/52/26/349075226.db2.gz TZRKGZGHLVLXOO-JGZJWPJOSA-N 0 3 236.271 1.455 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCN(C)C1 ZINC000352933291 180175413 /nfs/dbraw/zinc/17/54/13/180175413.db2.gz XLJGSVJGWKNAFI-SECBINFHSA-N 0 3 224.264 1.051 20 5 BDBDHN C[C@@H](CNc1ccncc1[N+](=O)[O-])N(C)C ZINC000038089186 350304159 /nfs/dbraw/zinc/30/41/59/350304159.db2.gz OQVLMTWXAUTWRG-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN CC[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386835044 363049505 /nfs/dbraw/zinc/04/95/05/363049505.db2.gz ILXGVVSMAKFICH-GXSJLCMTSA-N 0 3 238.287 1.844 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CO ZINC000127574706 324775409 /nfs/dbraw/zinc/77/54/09/324775409.db2.gz DTOFQDJCRMCDLW-UWVGGRQHSA-N 0 3 238.287 1.935 20 5 BDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)cn1 ZINC000053297686 356229545 /nfs/dbraw/zinc/22/95/45/356229545.db2.gz JZNFDLAPZMWWBF-SNVBAGLBSA-N 0 3 248.286 1.638 20 5 BDBDHN C[C@H](CN(C)C)Nc1ccccc1[N+](=O)[O-] ZINC000130604069 363493282 /nfs/dbraw/zinc/49/32/82/363493282.db2.gz PTZIZFNTHOKHMQ-SECBINFHSA-N 0 3 223.276 1.957 20 5 BDBDHN C[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582251917 356681232 /nfs/dbraw/zinc/68/12/32/356681232.db2.gz NLWMUUUMRWQSPO-LDYMZIIASA-N 0 3 236.271 1.553 20 5 BDBDHN C[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000035601434 358002349 /nfs/dbraw/zinc/00/23/49/358002349.db2.gz UHDFAXSDAMNOAE-RKDXNWHRSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000035602416 358002496 /nfs/dbraw/zinc/00/24/96/358002496.db2.gz HOJXSEBLAMHWCO-MRVPVSSYSA-N 0 3 210.233 1.065 20 5 BDBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)cn1 ZINC000048322157 358628725 /nfs/dbraw/zinc/62/87/25/358628725.db2.gz WNKNHLXKXVDSOS-UHFFFAOYSA-N 0 3 236.275 1.498 20 5 BDBDHN Cc1ccc(NC(=O)CNC2CC2)cc1[N+](=O)[O-] ZINC000037386726 363633057 /nfs/dbraw/zinc/63/30/57/363633057.db2.gz UUDJVDQELQPGOY-UHFFFAOYSA-N 0 3 249.270 1.594 20 5 BDBDHN CC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036871437 361574252 /nfs/dbraw/zinc/57/42/52/361574252.db2.gz SMZACYIZYHROPJ-SECBINFHSA-N 0 3 237.259 1.579 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CC[C@H]2O)c1 ZINC000378733258 371015976 /nfs/dbraw/zinc/01/59/76/371015976.db2.gz LULCHHMMIVZDCB-GHMZBOCLSA-N 0 3 222.244 1.208 20 5 BDBDHN CC(C)[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000092392205 371096964 /nfs/dbraw/zinc/09/69/64/371096964.db2.gz BCBSQVUZXYESPG-NSHDSACASA-N 0 3 238.287 1.701 20 5 BDBDHN CC[C@H](NCc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602894536 371852395 /nfs/dbraw/zinc/85/23/95/371852395.db2.gz IIWASOHPTOKDCM-JTQLQIEISA-N 0 3 238.291 1.607 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)C[C@H]1C ZINC000602819599 371842254 /nfs/dbraw/zinc/84/22/54/371842254.db2.gz CVHCKFZXLCUUMX-RKDXNWHRSA-N 0 3 238.291 1.582 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCn2cccn2)c1 ZINC000042351691 374263830 /nfs/dbraw/zinc/26/38/30/374263830.db2.gz IJGWUVAMFZAXIV-UHFFFAOYSA-N 0 3 246.270 1.581 20 5 BDBDHN C[C@@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000134983258 383965150 /nfs/dbraw/zinc/96/51/50/383965150.db2.gz RWCQPUZGJOLBTP-UWVGGRQHSA-N 0 3 238.287 1.701 20 5 BDBDHN CC(C)(O)CCNCc1ccccc1[N+](=O)[O-] ZINC000092801107 384172851 /nfs/dbraw/zinc/17/28/51/384172851.db2.gz BHCHZEPGKWKSDR-UHFFFAOYSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C1 ZINC000611468481 384170457 /nfs/dbraw/zinc/17/04/57/384170457.db2.gz RVRQNLFOMBBXEY-VIFPVBQESA-N 0 3 238.291 1.442 20 5 BDBDHN C[C@@H](CN(C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000286553487 384178355 /nfs/dbraw/zinc/17/83/55/384178355.db2.gz WMQOITZHCZQPKX-QMMMGPOBSA-N 0 3 238.291 1.539 20 5 BDBDHN CCC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000134554593 384353802 /nfs/dbraw/zinc/35/38/02/384353802.db2.gz LFPGHBKHLAZXDT-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000157346239 384374528 /nfs/dbraw/zinc/37/45/28/384374528.db2.gz QYUGFAZHVDVNPA-JTQLQIEISA-N 0 3 238.291 1.666 20 5 BDBDHN C[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126728395 384383525 /nfs/dbraw/zinc/38/35/25/384383525.db2.gz FSLPZUSWCGIAST-VIFPVBQESA-N 0 3 224.260 1.407 20 5 BDBDHN C[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727297 385148430 /nfs/dbraw/zinc/14/84/30/385148430.db2.gz JMAZAGNDJFBCLQ-JTQLQIEISA-N 0 3 238.287 1.450 20 5 BDBDHN C[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292167705 385614151 /nfs/dbraw/zinc/61/41/51/385614151.db2.gz PGJRHIDQDRRFLY-VIFPVBQESA-N 0 3 238.287 1.800 20 5 BDBDHN C[C@H](CCCO)NCc1csc([N+](=O)[O-])c1 ZINC000087358928 386194309 /nfs/dbraw/zinc/19/43/09/386194309.db2.gz PJPPSEPJZXCQJE-MRVPVSSYSA-N 0 3 244.316 1.907 20 5 BDBDHN C[C@@H](O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000228067763 386566273 /nfs/dbraw/zinc/56/62/73/386566273.db2.gz JKGOCBMPQIOHMM-NXEZZACHSA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2O)cs1 ZINC000164221336 386650065 /nfs/dbraw/zinc/65/00/65/386650065.db2.gz PDZFFCQMULIQHE-RKDXNWHRSA-N 0 3 242.300 1.659 20 5 BDBDHN CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000269083696 386775771 /nfs/dbraw/zinc/77/57/71/386775771.db2.gz GOGJHCURQGAPHC-JTQLQIEISA-N 0 3 249.270 1.221 20 5 BDBDHN Cc1ccc(NC(=O)C2(N)CC2)cc1[N+](=O)[O-] ZINC000088129698 386841309 /nfs/dbraw/zinc/84/13/09/386841309.db2.gz VOEYBBHHXQXUAA-UHFFFAOYSA-N 0 3 235.243 1.333 20 5 BDBDHN C[C@H](O)C(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000160614607 387360133 /nfs/dbraw/zinc/36/01/33/387360133.db2.gz QOUZOPXIHFETNP-ZETCQYMHSA-N 0 3 244.316 1.905 20 5 BDBDHN C[C@H](O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000227953777 388373937 /nfs/dbraw/zinc/37/39/37/388373937.db2.gz AKROKVYGWPUJFM-JTQLQIEISA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@@H](CCCO)NCc1ccccc1[N+](=O)[O-] ZINC000094942324 388434008 /nfs/dbraw/zinc/43/40/08/388434008.db2.gz NAHNGMGFUIMQKD-JTQLQIEISA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ccnc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000301485366 388593305 /nfs/dbraw/zinc/59/33/05/388593305.db2.gz WNWRTBZJJDROIX-UHFFFAOYSA-N 0 3 238.291 1.296 20 5 BDBDHN C[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826775 388610960 /nfs/dbraw/zinc/61/09/60/388610960.db2.gz BPIYOBACCNWVEX-ONGXEEELSA-N 0 3 236.271 1.862 20 5 BDBDHN CC[C@H](O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000124308037 388745689 /nfs/dbraw/zinc/74/56/89/388745689.db2.gz VQDASYJCXFNECX-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN C[C@H]1CCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000330393787 388756630 /nfs/dbraw/zinc/75/66/30/388756630.db2.gz CGMASFOHXMJEDZ-DTWKUNHWSA-N 0 3 238.291 1.607 20 5 BDBDHN C[C@@H](NCCCO)c1ccccc1[N+](=O)[O-] ZINC000020526248 388774616 /nfs/dbraw/zinc/77/46/16/388774616.db2.gz PLOVOEISOLGNAK-SECBINFHSA-N 0 3 224.260 1.628 20 5 BDBDHN Cc1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783384 132228824 /nfs/dbraw/zinc/22/88/24/132228824.db2.gz WABSJSLTGJWLHN-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCO ZINC000344878883 135804735 /nfs/dbraw/zinc/80/47/35/135804735.db2.gz VKLDVOKJZPEWJL-YFHOEESVSA-N 0 3 236.271 1.580 20 5 BDBDHN CC[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000125386496 171013131 /nfs/dbraw/zinc/01/31/31/171013131.db2.gz WGAMDUGPCJIJKR-SNVBAGLBSA-N 0 3 238.291 1.523 20 5 BDBDHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000049099869 173055271 /nfs/dbraw/zinc/05/52/71/173055271.db2.gz BGYGZRRYUJVGMD-VIFPVBQESA-N 0 3 236.275 1.496 20 5 BDBDHN CNCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000034979684 173333710 /nfs/dbraw/zinc/33/37/10/173333710.db2.gz FPFQEUBFFNJSJA-UHFFFAOYSA-N 0 3 223.232 1.061 20 5 BDBDHN CNCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000034979690 173335246 /nfs/dbraw/zinc/33/52/46/173335246.db2.gz VHCLRXRGOVXJLS-UHFFFAOYSA-N 0 3 223.232 1.061 20 5 BDBDHN COCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000298791076 174279808 /nfs/dbraw/zinc/27/98/08/174279808.db2.gz RSGFHYPMHNXXMQ-UHFFFAOYSA-N 0 3 238.287 1.716 20 5 BDBDHN C[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570410172 323058767 /nfs/dbraw/zinc/05/87/67/323058767.db2.gz FWUIJOMYHXGDFZ-GZMMTYOYSA-N 0 3 236.271 1.553 20 5 BDBDHN CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665267 325164773 /nfs/dbraw/zinc/16/47/73/325164773.db2.gz UPZHZSDJUKHBBM-SECBINFHSA-N 0 3 236.275 1.496 20 5 BDBDHN CC(COC(=O)C=C1CCSCC1)[N+](=O)[O-] ZINC000813103001 582579950 /nfs/dbraw/zinc/57/99/50/582579950.db2.gz XTPNFFXGEKWDAQ-QMMMGPOBSA-N 0 3 245.300 1.648 20 5 BDBDHN CC(COC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000813103773 582580791 /nfs/dbraw/zinc/58/07/91/582580791.db2.gz SYADGLMKRPIZAR-ZETCQYMHSA-N 0 3 227.191 1.648 20 5 BDBDHN CCC(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107729 582584207 /nfs/dbraw/zinc/58/42/07/582584207.db2.gz VDFBUQWEXUKFLZ-ZETCQYMHSA-N 0 3 203.238 1.631 20 5 BDBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813113515 582590904 /nfs/dbraw/zinc/59/09/04/582590904.db2.gz FDGFWKZGFPPJHN-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)C[C@@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893046417 583036728 /nfs/dbraw/zinc/03/67/28/583036728.db2.gz AYEMNVAYUSTPHC-RKDXNWHRSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)c1cnc2cc[nH]c2c1)[N+](=O)[O-] ZINC000893045453 583036968 /nfs/dbraw/zinc/03/69/68/583036968.db2.gz XNFSDBGNGRJVJD-ZETCQYMHSA-N 0 3 249.226 1.385 20 5 BDBDHN CN1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])nc2)C1 ZINC000893934582 583252902 /nfs/dbraw/zinc/25/29/02/583252902.db2.gz IDNMCALKBJNFIO-ONGXEEELSA-N 0 3 248.286 1.130 20 5 BDBDHN Cc1ccccc1C[C@@H](C)NCC[N+](=O)[O-] ZINC000899871416 584244468 /nfs/dbraw/zinc/24/44/68/584244468.db2.gz QMGZZFJIAKBNBA-LLVKDONJSA-N 0 3 222.288 1.792 20 5 BDBDHN CS[C@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104600 586592456 /nfs/dbraw/zinc/59/24/56/586592456.db2.gz FJHZNZXIQCDZPK-HTQZYQBOSA-N 0 3 235.305 1.727 20 5 BDBDHN CC(COC(=O)[C@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813104684 586592544 /nfs/dbraw/zinc/59/25/44/586592544.db2.gz PXNRKJLYCWDCOH-NXEZZACHSA-N 0 3 237.255 1.999 20 5 BDBDHN CC(COC(=O)CCC(F)F)[N+](=O)[O-] ZINC000813106530 586592628 /nfs/dbraw/zinc/59/26/28/586592628.db2.gz DYGIJQXQFACQGM-YFKPBYRVSA-N 0 3 211.164 1.240 20 5 BDBDHN CC(COC(=O)CC1(C)CC1)[N+](=O)[O-] ZINC000813110366 586593173 /nfs/dbraw/zinc/59/31/73/586593173.db2.gz YWTMUCPBGAYYME-ZETCQYMHSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(C)n1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813109553 586593271 /nfs/dbraw/zinc/59/32/71/586593271.db2.gz LKZZOCQTKMLHKL-QMMMGPOBSA-N 0 3 241.247 1.286 20 5 BDBDHN CC(COC(=O)/C=C/c1cccs1)[N+](=O)[O-] ZINC000813110903 586593457 /nfs/dbraw/zinc/59/34/57/586593457.db2.gz LRBMCLLGAXHYGM-WTSVBCDHSA-N 0 3 241.268 1.970 20 5 BDBDHN CSC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813111486 586593537 /nfs/dbraw/zinc/59/35/37/586593537.db2.gz IMMSOUBEHACZLA-SSDOTTSWSA-N 0 3 233.289 1.481 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cs1 ZINC000813111135 586593732 /nfs/dbraw/zinc/59/37/32/586593732.db2.gz OHYITPDKHNQARZ-ZCFIWIBFSA-N 0 3 229.257 1.879 20 5 BDBDHN CC[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813112014 586593778 /nfs/dbraw/zinc/59/37/78/586593778.db2.gz BSUWGWMYGNXJAZ-LPEHRKFASA-N 0 3 245.275 1.400 20 5 BDBDHN C/C=C(/CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112782 586593965 /nfs/dbraw/zinc/59/39/65/586593965.db2.gz LDSSXNSTKMRJSE-UDGZVJEDSA-N 0 3 201.222 1.551 20 5 BDBDHN COCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552669 586687737 /nfs/dbraw/zinc/68/77/37/586687737.db2.gz HJGSCJPSBNRYIH-QMMMGPOBSA-N 0 3 239.275 1.474 20 5 BDBDHN CO[C@@H]1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000816090990 586707352 /nfs/dbraw/zinc/70/73/52/586707352.db2.gz GVRQWZVIQWIRPC-KXUCPTDWSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C(F)=C1CCCC1)[N+](=O)[O-] ZINC000816091493 586707397 /nfs/dbraw/zinc/70/73/97/586707397.db2.gz YYXISWKMQQTWPP-SSDOTTSWSA-N 0 3 231.223 1.992 20 5 BDBDHN CCc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000835453623 587802731 /nfs/dbraw/zinc/80/27/31/587802731.db2.gz DQUYDAHMMHNNQA-MRVPVSSYSA-N 0 3 238.243 1.466 20 5 BDBDHN CC[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835455321 587803111 /nfs/dbraw/zinc/80/31/11/587803111.db2.gz OGOGWIACSJSISG-BWZBUEFSSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(COC(=O)C[C@@H](C)C(F)(F)F)[N+](=O)[O-] ZINC000860777067 589119271 /nfs/dbraw/zinc/11/92/71/589119271.db2.gz KBAMDDKCMOTZIQ-RITPCOANSA-N 0 3 243.181 1.783 20 5 BDBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000860776395 589119625 /nfs/dbraw/zinc/11/96/25/589119625.db2.gz DXOXROXWHIFXDP-IUCAKERBSA-N 0 3 233.264 1.256 20 5 BDBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000870377993 589661479 /nfs/dbraw/zinc/66/14/79/589661479.db2.gz TYSKSUDIWOPBLH-ZETCQYMHSA-N 0 3 241.247 1.033 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](C)CO ZINC000873063172 589982345 /nfs/dbraw/zinc/98/23/45/589982345.db2.gz MMEVFDVDQTWPJS-VIFPVBQESA-N 0 3 238.287 1.682 20 5 BDBDHN COc1ccc(C)cc1CCNCC[N+](=O)[O-] ZINC000905024137 637575525 /nfs/dbraw/zinc/57/55/25/637575525.db2.gz ITLILAGFDMFWIB-UHFFFAOYSA-N 0 3 238.287 1.412 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(F)cc1Cl ZINC000905116572 637622564 /nfs/dbraw/zinc/62/25/64/637622564.db2.gz FUIKMZYDYPAWFI-UHFFFAOYSA-N 0 3 246.669 1.888 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCCC1(F)F ZINC000905280140 637735460 /nfs/dbraw/zinc/73/54/60/637735460.db2.gz OZBTUJXJUQXVHK-SSDOTTSWSA-N 0 3 208.208 1.288 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCN1Cc1ccccc1 ZINC000905383064 637784328 /nfs/dbraw/zinc/78/43/28/637784328.db2.gz RGQFXWFFQZRAAS-CYBMUJFWSA-N 0 3 249.314 1.127 20 5 BDBDHN Cc1ccc(C(C)(C)CNCC[N+](=O)[O-])nc1 ZINC000905387524 637786749 /nfs/dbraw/zinc/78/67/49/637786749.db2.gz AMXPKJLJKQFJIN-UHFFFAOYSA-N 0 3 237.303 1.534 20 5 BDBDHN O=[N+]([O-])CCNCC1(C(F)(F)F)CCCC1 ZINC000905397320 637794800 /nfs/dbraw/zinc/79/48/00/637794800.db2.gz VWFTZALWBODVBM-UHFFFAOYSA-N 0 3 240.225 1.975 20 5 BDBDHN CC(C)O[C@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930629203 639830923 /nfs/dbraw/zinc/83/09/23/639830923.db2.gz SMCOWQZEUFJSQS-ZJUUUORDSA-N 0 3 230.308 1.445 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H](CCF)C1 ZINC000931015601 640021357 /nfs/dbraw/zinc/02/13/57/640021357.db2.gz RGHSFDAFIJTRFS-VIFPVBQESA-N 0 3 204.245 1.335 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000931026028 640028474 /nfs/dbraw/zinc/02/84/74/640028474.db2.gz OMRBCGVGSIISQX-VXGBXAGGSA-N 0 3 242.319 1.544 20 5 BDBDHN O=[N+]([O-])CCN1CCC2(CCCCO2)CC1 ZINC000931700210 640325596 /nfs/dbraw/zinc/32/55/96/640325596.db2.gz FNNFGGBOZZJPRQ-UHFFFAOYSA-N 0 3 228.292 1.298 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000842363398 641200687 /nfs/dbraw/zinc/20/06/87/641200687.db2.gz HNPWLNSLSNXUGF-WCQGTBRESA-N 0 3 249.266 1.999 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1C[C@H]1CCCN1C ZINC000916773051 641977909 /nfs/dbraw/zinc/97/79/09/641977909.db2.gz ODFYTDMOEZNHAY-SECBINFHSA-N 0 3 224.264 1.194 20 5 BDBDHN CC(C)[C@@]1(C)C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107052 643395938 /nfs/dbraw/zinc/39/59/38/643395938.db2.gz LEPAXVLXRCKJCY-WCABBAIRSA-N 0 3 229.276 1.877 20 5 BDBDHN C[C@@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000719575837 712811570 /nfs/dbraw/zinc/81/15/70/712811570.db2.gz QOUOXKRUYOKRTI-BDAKNGLRSA-N 0 3 236.275 1.494 20 5 BDBDHN CC1(C)CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008011 969335475 /nfs/dbraw/zinc/33/54/75/969335475.db2.gz QOWIVCVPTMKNEY-GHMZBOCLSA-N 0 3 242.319 1.543 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012182 969339011 /nfs/dbraw/zinc/33/90/11/969339011.db2.gz OOWUZUBXDQQHMA-MXWKQRLJSA-N 0 3 228.292 1.153 20 5 BDBDHN CN1CCc2c(NC=N)ccc([N+](=O)[O-])c2C1 ZINC001167866592 961348305 /nfs/dbraw/zinc/34/83/05/961348305.db2.gz ASHDGASYANQADT-UHFFFAOYSA-N 0 3 234.259 1.602 20 5 BDBDHN C[C@H](N)c1ccn(-c2cccc([N+](=O)[O-])n2)n1 ZINC001158349964 963852413 /nfs/dbraw/zinc/85/24/13/963852413.db2.gz XCHYZASNDDNGGM-ZETCQYMHSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1ccnc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158347923 963852695 /nfs/dbraw/zinc/85/26/95/963852695.db2.gz ACJSJLURIIDHHA-MRVPVSSYSA-N 0 3 247.258 1.504 20 5 BDBDHN Cc1cc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168963606 969314772 /nfs/dbraw/zinc/31/47/72/969314772.db2.gz PAFBGVOFEMWTIQ-NXEZZACHSA-N 0 3 239.275 1.518 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H](F)C2)C1 ZINC001169027415 969345253 /nfs/dbraw/zinc/34/52/53/969345253.db2.gz PKHSMTMEKVCVOP-MXWKQRLJSA-N 0 3 230.283 1.866 20 5 BDBDHN C[C@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169038214 969357532 /nfs/dbraw/zinc/35/75/32/969357532.db2.gz XCIULFPSKWZYKC-BJDJZHNGSA-N 0 3 242.319 1.541 20 5 BDBDHN CN(Cc1ccno1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046891 969365177 /nfs/dbraw/zinc/36/51/77/969365177.db2.gz OFOZNKKQHSOUPC-NXEZZACHSA-N 0 3 239.275 1.552 20 5 BDBDHN C[C@H](N)c1ccn(-c2cccnc2[N+](=O)[O-])n1 ZINC001169231278 969506762 /nfs/dbraw/zinc/50/67/62/969506762.db2.gz HDAIBAABNZKCFW-ZETCQYMHSA-N 0 3 233.231 1.195 20 5 BDBDHN CN1CC[C@H](Oc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225382502 974459195 /nfs/dbraw/zinc/45/91/95/974459195.db2.gz OPTFRYYJOWUFGX-VIFPVBQESA-N 0 3 240.234 1.817 20 5 BDBDHN CN1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227983468 975828668 /nfs/dbraw/zinc/82/86/68/975828668.db2.gz FAUQQDMSZBCVDT-UHFFFAOYSA-N 0 3 237.259 1.463 20 5 BDBDHN CS[C@@H]1CC[C@@H](N(C)CC[N+](=O)[O-])C1 ZINC001333832388 976111711 /nfs/dbraw/zinc/11/17/11/976111711.db2.gz GIXFVQASLRNLMC-RKDXNWHRSA-N 0 3 218.322 1.479 20 5 BDBDHN CC(COC(=O)[C@@H]1CCOC(C)(C)C1)[N+](=O)[O-] ZINC001343663809 980170603 /nfs/dbraw/zinc/17/06/03/980170603.db2.gz KVBBFXZZOXGNCD-RKDXNWHRSA-N 0 3 245.275 1.400 20 5 BDBDHN CN1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000156964458 980809487 /nfs/dbraw/zinc/80/94/87/980809487.db2.gz ILILPRAEOWBZKC-QMMMGPOBSA-N 0 3 222.248 1.106 20 5 BDBDHN Cc1cc(N2CC(N(C)C)C2)ncc1[N+](=O)[O-] ZINC000270845201 178112563 /nfs/dbraw/zinc/11/25/63/178112563.db2.gz IUDYBKWOCYZXES-UHFFFAOYSA-N 0 3 236.275 1.048 20 5 BDBDHN CN(C)C1CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000273281055 398281792 /nfs/dbraw/zinc/28/17/92/398281792.db2.gz JBIQLKHWIKTUSJ-UHFFFAOYSA-N 0 3 239.250 1.484 20 5 BDBDHN Cc1ccc(CN(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000130830407 398283049 /nfs/dbraw/zinc/28/30/49/398283049.db2.gz IFXHZLBLIOEGBD-JTQLQIEISA-N 0 3 238.287 1.716 20 5 BDBDHN CC[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925852 342855766 /nfs/dbraw/zinc/85/57/66/342855766.db2.gz ZFGUUFOJIVWLEU-SNVBAGLBSA-N 0 3 247.258 1.585 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCC2(O)CCC2)c1 ZINC000134515199 342862235 /nfs/dbraw/zinc/86/22/35/342862235.db2.gz NSOLHLQRWYBFHG-UHFFFAOYSA-N 0 3 236.271 1.599 20 5 BDBDHN CN1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000609493300 342880284 /nfs/dbraw/zinc/88/02/84/342880284.db2.gz FPEKPLTVXWHVIF-VIFPVBQESA-N 0 3 249.270 1.485 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCC2(CO)CC2)cc1 ZINC000118906915 343539384 /nfs/dbraw/zinc/53/93/84/343539384.db2.gz KSYKNNOBQPIAJO-UHFFFAOYSA-N 0 3 236.271 1.457 20 5 BDBDHN CN(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000048347148 343578912 /nfs/dbraw/zinc/57/89/12/343578912.db2.gz JGTZFNHRHJAEMA-UHFFFAOYSA-N 0 3 224.260 1.061 20 5 BDBDHN Cc1ccc(CNCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000078780284 178607988 /nfs/dbraw/zinc/60/79/88/178607988.db2.gz UXWPZTIQSRZPPH-SNVBAGLBSA-N 0 3 238.287 1.764 20 5 BDBDHN C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])N(C)C ZINC000401123370 346237051 /nfs/dbraw/zinc/23/70/51/346237051.db2.gz KKTWOWAZGDWTMM-ZETCQYMHSA-N 0 3 242.254 1.491 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC/C=C\CO)cc1 ZINC000594974939 348162646 /nfs/dbraw/zinc/16/26/46/348162646.db2.gz OHOFDSPRUBKYCI-UPHRSURJSA-N 0 3 222.244 1.233 20 5 BDBDHN CO[C@@]1(C)C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000594993511 348167903 /nfs/dbraw/zinc/16/79/03/348167903.db2.gz AVZOQXGVSZFYHX-NEPJUHHUSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@@H](C[NH+](C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596244493 348485781 /nfs/dbraw/zinc/48/57/81/348485781.db2.gz QIWAKHSUNHFSKU-ZETCQYMHSA-N 0 3 240.263 1.057 20 5 BDBDHN O=[N+]([O-])c1cncc(Cl)c1NC1CNC1 ZINC000308895905 349055777 /nfs/dbraw/zinc/05/57/77/349055777.db2.gz ZGOSKBABVWKVOP-UHFFFAOYSA-N 0 3 228.639 1.027 20 5 BDBDHN O=[N+]([O-])c1ccccc1CCNC1CSC1 ZINC000309513007 350693778 /nfs/dbraw/zinc/69/37/78/350693778.db2.gz QGAFICPYMYELKU-UHFFFAOYSA-N 0 3 238.312 1.842 20 5 BDBDHN Cc1ccc(CNC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000034995493 351376903 /nfs/dbraw/zinc/37/69/03/351376903.db2.gz MJKTUHIFDPUGGZ-SECBINFHSA-N 0 3 224.260 1.374 20 5 BDBDHN CN(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189680231 353311375 /nfs/dbraw/zinc/31/13/75/353311375.db2.gz AHYYEDXPDFXWBC-UHFFFAOYSA-N 0 3 216.266 1.025 20 5 BDBDHN Cc1c(NC(=O)[C@H]2CCN2)cccc1[N+](=O)[O-] ZINC000384796410 356750792 /nfs/dbraw/zinc/75/07/92/356750792.db2.gz YTSGRUINJCAXOP-SECBINFHSA-N 0 3 235.243 1.204 20 5 BDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000053711619 357157271 /nfs/dbraw/zinc/15/72/71/357157271.db2.gz KMJXBVQBXSADMO-DTORHVGOSA-N 0 3 236.275 1.176 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1O ZINC000050015794 358710462 /nfs/dbraw/zinc/71/04/62/358710462.db2.gz KIJRJZWBTILLGU-ZYHUDNBSSA-N 0 3 236.271 1.598 20 5 BDBDHN CN(C)CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436194650 201314041 /nfs/dbraw/zinc/31/40/41/201314041.db2.gz PUXDZSAFKFDBOU-UHFFFAOYSA-N 0 3 224.264 1.230 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)cn1 ZINC000581749927 367809346 /nfs/dbraw/zinc/80/93/46/367809346.db2.gz LYVPWDUVRNOERF-NSHDSACASA-N 0 3 248.286 1.274 20 5 BDBDHN Cc1ccc(CN[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131332280 371589850 /nfs/dbraw/zinc/58/98/50/371589850.db2.gz OBLZFAFKMIDAMB-NSHDSACASA-N 0 3 236.271 1.782 20 5 BDBDHN CC(C)C1(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339502337 383990063 /nfs/dbraw/zinc/99/00/63/383990063.db2.gz ABNIHAZNOCLOQE-UHFFFAOYSA-N 0 3 238.291 1.607 20 5 BDBDHN C[C@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000134983277 383963410 /nfs/dbraw/zinc/96/34/10/383963410.db2.gz RWCQPUZGJOLBTP-ZJUUUORDSA-N 0 3 238.287 1.701 20 5 BDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCO ZINC000082829127 384577039 /nfs/dbraw/zinc/57/70/39/384577039.db2.gz GDVGMINYZWIYFQ-UHFFFAOYSA-N 0 3 244.678 1.720 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN2CCCCCC2)n1 ZINC000176188651 385034095 /nfs/dbraw/zinc/03/40/95/385034095.db2.gz IBIWYYQASKKYQG-UHFFFAOYSA-N 0 3 238.291 1.667 20 5 BDBDHN C[C@H](CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086622713 386087893 /nfs/dbraw/zinc/08/78/93/386087893.db2.gz YDLDIBHORHVSKL-UWVGGRQHSA-N 0 3 238.287 1.874 20 5 BDBDHN CC[C@@H](CO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000294078508 386352174 /nfs/dbraw/zinc/35/21/74/386352174.db2.gz LHYMOLJTGUALEM-NSHDSACASA-N 0 3 238.287 1.798 20 5 BDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H]2O)cs1 ZINC000164221219 386650578 /nfs/dbraw/zinc/65/05/78/386650578.db2.gz PDZFFCQMULIQHE-IUCAKERBSA-N 0 3 242.300 1.659 20 5 BDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCO ZINC000344878882 386790312 /nfs/dbraw/zinc/79/03/12/386790312.db2.gz VKLDVOKJZPEWJL-JXMROGBWSA-N 0 3 236.271 1.580 20 5 BDBDHN C[C@@H](O)C(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000160614760 387359714 /nfs/dbraw/zinc/35/97/14/387359714.db2.gz QOUZOPXIHFETNP-SSDOTTSWSA-N 0 3 244.316 1.905 20 5 BDBDHN CC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036871436 387984260 /nfs/dbraw/zinc/98/42/60/387984260.db2.gz SMZACYIZYHROPJ-VIFPVBQESA-N 0 3 237.259 1.579 20 5 BDBDHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000424105795 388693691 /nfs/dbraw/zinc/69/36/91/388693691.db2.gz WOKYOSADCTXCGA-ONOSFVFSSA-N 0 3 249.270 1.119 20 5 BDBDHN C[C@@H](CO)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000125730416 388805454 /nfs/dbraw/zinc/80/54/54/388805454.db2.gz NJTQPKVRSSLTTK-YUMQZZPRSA-N 0 3 244.316 1.763 20 5 BDBDHN CN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000055421230 388837106 /nfs/dbraw/zinc/83/71/06/388837106.db2.gz YDKVYMHGTYVMSD-ZETCQYMHSA-N 0 3 223.232 1.141 20 5 BDBDHN Cc1c([C@@H](C)NC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000131173854 177629443 /nfs/dbraw/zinc/62/94/43/177629443.db2.gz IRCWUEQIKNSBLF-PSASIEDQSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1cc(N2CCN[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000052783387 132300365 /nfs/dbraw/zinc/30/03/65/132300365.db2.gz ONKNTTRKLUBFGK-SNVBAGLBSA-N 0 3 235.287 1.701 20 5 BDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)[C@H](C)CN1 ZINC000261535236 135169061 /nfs/dbraw/zinc/16/90/61/135169061.db2.gz XBOCZKLNVBYKRR-RNFRBKRXSA-N 0 3 242.304 1.238 20 5 BDBDHN Cc1nc(N2CCNC[C@H]2C)ccc1[N+](=O)[O-] ZINC000262082844 135277920 /nfs/dbraw/zinc/27/79/20/135277920.db2.gz XSRPZUQVVJQWGG-MRVPVSSYSA-N 0 3 236.275 1.096 20 5 BDBDHN CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176190173 168182249 /nfs/dbraw/zinc/18/22/49/168182249.db2.gz ZWFPGTSLMSYVLE-UHFFFAOYSA-N 0 3 238.291 1.523 20 5 BDBDHN C[C@@H]1CN(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014224 176276700 /nfs/dbraw/zinc/27/67/00/176276700.db2.gz KFIQJDUNZNBFRE-ZWNOBZJWSA-N 0 3 249.314 1.635 20 5 BDBDHN CN(CC[N+](=O)[O-])CC1CCCCC1 ZINC000791052857 585972910 /nfs/dbraw/zinc/97/29/10/585972910.db2.gz GEVGVOSJPGAQNF-UHFFFAOYSA-N 0 3 200.282 1.775 20 5 BDBDHN CC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813114080 582591298 /nfs/dbraw/zinc/59/12/98/582591298.db2.gz YJDIPNRZQCDGLE-ZCFIWIBFSA-N 0 3 241.199 1.304 20 5 BDBDHN Cc1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 ZINC000853824869 588765043 /nfs/dbraw/zinc/76/50/43/588765043.db2.gz SOQHUIUPCHBCBA-UHFFFAOYSA-N 0 3 249.314 1.901 20 5 BDBDHN COC1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813101644 582580069 /nfs/dbraw/zinc/58/00/69/582580069.db2.gz GDBXCMTVASJPHR-XNWIYYODSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)c1ccc2cncn2c1)[N+](=O)[O-] ZINC000813104587 582580672 /nfs/dbraw/zinc/58/06/72/582580672.db2.gz FAKFLFRNYKURCZ-QMMMGPOBSA-N 0 3 249.226 1.156 20 5 BDBDHN Cc1noc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111054 582587823 /nfs/dbraw/zinc/58/78/23/582587823.db2.gz BGTQKRGPOYDEOS-RXMQYKEDSA-N 0 3 228.204 1.113 20 5 BDBDHN CC(COC(=O)C(C1CC1)C1CC1)[N+](=O)[O-] ZINC000813113552 582590920 /nfs/dbraw/zinc/59/09/20/582590920.db2.gz FTPFXORZJKXWEM-ZETCQYMHSA-N 0 3 227.260 1.631 20 5 BDBDHN CN1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000893940780 583255067 /nfs/dbraw/zinc/25/50/67/583255067.db2.gz QBFYRGOZOXSOBW-GXFFZTMASA-N 0 3 247.298 1.735 20 5 BDBDHN Cn1cc(CN[C@@H]2CCC2(C)C)c([N+](=O)[O-])n1 ZINC000877521646 583322511 /nfs/dbraw/zinc/32/25/11/583322511.db2.gz GBNGILONLGUSJP-SECBINFHSA-N 0 3 238.291 1.607 20 5 BDBDHN Cc1ccc(-c2cnn(C)c2CN)cc1[N+](=O)[O-] ZINC000899324808 584196803 /nfs/dbraw/zinc/19/68/03/584196803.db2.gz OQEBXSBTELPMQS-UHFFFAOYSA-N 0 3 246.270 1.762 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CCCCO1)[N+](=O)[O-] ZINC000838965387 585082584 /nfs/dbraw/zinc/08/25/84/585082584.db2.gz RXIKDMXRKWMTBE-WCBMZHEXSA-N 0 3 231.248 1.154 20 5 BDBDHN CC[C@H](CC(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000838965165 585082621 /nfs/dbraw/zinc/08/26/21/585082621.db2.gz OEKDVKTYWUFJDT-RNFRBKRXSA-N 0 3 239.218 1.876 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CCCCO1)[N+](=O)[O-] ZINC000838965385 585082685 /nfs/dbraw/zinc/08/26/85/585082685.db2.gz RXIKDMXRKWMTBE-PSASIEDQSA-N 0 3 231.248 1.154 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)C1CC1 ZINC000763068906 585442644 /nfs/dbraw/zinc/44/26/44/585442644.db2.gz NRURIOKHSWARAS-LLVKDONJSA-N 0 3 236.271 1.455 20 5 BDBDHN CC(COC(=O)c1cc(C2CC2)[nH]n1)[N+](=O)[O-] ZINC000813103093 586591871 /nfs/dbraw/zinc/59/18/71/586591871.db2.gz NNKAUSHLEOBWAG-LURJTMIESA-N 0 3 239.231 1.109 20 5 BDBDHN CC(C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102490 586591877 /nfs/dbraw/zinc/59/18/77/586591877.db2.gz GFOZCMDGCHSMRP-HTQZYQBOSA-N 0 3 203.238 1.487 20 5 BDBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813102008 586591909 /nfs/dbraw/zinc/59/19/09/586591909.db2.gz MSPTVZFRHDKOPK-SSDOTTSWSA-N 0 3 227.216 1.718 20 5 BDBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813102009 586591951 /nfs/dbraw/zinc/59/19/51/586591951.db2.gz MSPTVZFRHDKOPK-ZETCQYMHSA-N 0 3 227.216 1.718 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC(=O)C[C@H]1C)[N+](=O)[O-] ZINC000813103236 586592008 /nfs/dbraw/zinc/59/20/08/586592008.db2.gz ZFZGDOQYBSCYTH-KHQFGBGNSA-N 0 3 243.259 1.200 20 5 BDBDHN Cc1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102016 586592125 /nfs/dbraw/zinc/59/21/25/586592125.db2.gz MVXZBASKTKLHPR-LURJTMIESA-N 0 3 213.189 1.410 20 5 BDBDHN COCCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101585 586592178 /nfs/dbraw/zinc/59/21/78/586592178.db2.gz DPUMKHDXQKQKET-IUCAKERBSA-N 0 3 233.264 1.258 20 5 BDBDHN CC(COC(=O)[C@H]1CC=CCC1)[N+](=O)[O-] ZINC000813102850 586592212 /nfs/dbraw/zinc/59/22/12/586592212.db2.gz KGWDKUKLBVJRCJ-BDAKNGLRSA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)CCc1nccs1)[N+](=O)[O-] ZINC000813104329 586592296 /nfs/dbraw/zinc/59/22/96/586592296.db2.gz MSIPJUVJXCUHLX-SSDOTTSWSA-N 0 3 244.272 1.284 20 5 BDBDHN CC(COC(=O)Cc1ccc(F)cc1)[N+](=O)[O-] ZINC000813103661 586592326 /nfs/dbraw/zinc/59/23/26/586592326.db2.gz DMXUPRWBEQZDPW-MRVPVSSYSA-N 0 3 241.218 1.577 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c1 ZINC000813105087 586592482 /nfs/dbraw/zinc/59/24/82/586592482.db2.gz VJINCDHAZCYENG-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813105211 586592560 /nfs/dbraw/zinc/59/25/60/586592560.db2.gz KLQCWJCZQYRSHO-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813105523 586592576 /nfs/dbraw/zinc/59/25/76/586592576.db2.gz NXSKIVVPZWBRJD-SSDOTTSWSA-N 0 3 201.222 1.385 20 5 BDBDHN Cc1ccoc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106663 586592977 /nfs/dbraw/zinc/59/29/77/586592977.db2.gz GETWWRQPSFPTKN-SSDOTTSWSA-N 0 3 213.189 1.410 20 5 BDBDHN CCc1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108362 586593227 /nfs/dbraw/zinc/59/32/27/586593227.db2.gz DXRFWBNIRUUVAT-LURJTMIESA-N 0 3 244.272 1.528 20 5 BDBDHN CC(COC(=O)C[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813112753 586593842 /nfs/dbraw/zinc/59/38/42/586593842.db2.gz KLGOYAZXLFHIFV-DTWKUNHWSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813113856 586593905 /nfs/dbraw/zinc/59/39/05/586593905.db2.gz JYFNGOLPEVFMLX-BDAKNGLRSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)C[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813112752 586593977 /nfs/dbraw/zinc/59/39/77/586593977.db2.gz KLGOYAZXLFHIFV-BDAKNGLRSA-N 0 3 231.248 1.154 20 5 BDBDHN CCCCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113306 586594170 /nfs/dbraw/zinc/59/41/70/586594170.db2.gz PKCOPAVNEMVNGY-DTWKUNHWSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)CCC(C)(F)F)[N+](=O)[O-] ZINC000813115440 586594444 /nfs/dbraw/zinc/59/44/44/586594444.db2.gz RZWDWIFFWZVQMX-ZCFIWIBFSA-N 0 3 225.191 1.630 20 5 BDBDHN CCCc1[nH]ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000817738831 586823751 /nfs/dbraw/zinc/82/37/51/586823751.db2.gz CLCCQXLFBLGDLK-MRVPVSSYSA-N 0 3 240.259 1.789 20 5 BDBDHN CO[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000842363419 588021480 /nfs/dbraw/zinc/02/14/80/588021480.db2.gz ILGMWLYVGKJKSH-BDAKNGLRSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)[C@H](C)Cc1ccco1)[N+](=O)[O-] ZINC000851037002 588585854 /nfs/dbraw/zinc/58/58/54/588585854.db2.gz PLJDMRBVCOIOIB-BDAKNGLRSA-N 0 3 241.243 1.667 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCC12CC2)[N+](=O)[O-] ZINC000860777829 589119502 /nfs/dbraw/zinc/11/95/02/589119502.db2.gz WZHSVEMYUSSQLQ-IUCAKERBSA-N 0 3 227.260 1.775 20 5 BDBDHN Cc1cocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777817 589119548 /nfs/dbraw/zinc/11/95/48/589119548.db2.gz WPYPCBFJTOLRBG-SSDOTTSWSA-N 0 3 213.189 1.410 20 5 BDBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000870377068 589661426 /nfs/dbraw/zinc/66/14/26/589661426.db2.gz OMTOYJDZLCDQAC-ZCFIWIBFSA-N 0 3 245.256 1.824 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccsc1 ZINC000905037599 637555845 /nfs/dbraw/zinc/55/58/45/637555845.db2.gz ZWWSVEPPINNNPL-UHFFFAOYSA-N 0 3 200.263 1.157 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccccc1F ZINC000905082537 637582782 /nfs/dbraw/zinc/58/27/82/637582782.db2.gz TWWFOFAJKDOULV-UHFFFAOYSA-N 0 3 240.278 1.970 20 5 BDBDHN CC1(c2ccccc2)CC(NCC[N+](=O)[O-])C1 ZINC000905095059 637634656 /nfs/dbraw/zinc/63/46/56/637634656.db2.gz HLZGNZVOHMCPAV-UHFFFAOYSA-N 0 3 234.299 1.973 20 5 BDBDHN O=[N+]([O-])CCN[C@@H](CO)CC1CCCCC1 ZINC000905345518 637767565 /nfs/dbraw/zinc/76/75/65/637767565.db2.gz NBCJGMNJYMDVSO-LLVKDONJSA-N 0 3 230.308 1.184 20 5 BDBDHN Cc1nc2c(cccc2CCNCC[N+](=O)[O-])o1 ZINC000905581421 637853110 /nfs/dbraw/zinc/85/31/10/637853110.db2.gz VVCXUZYQHWQQBO-UHFFFAOYSA-N 0 3 249.270 1.545 20 5 BDBDHN C[C@H](COCC1CCCCC1)NCC[N+](=O)[O-] ZINC000932422204 640525304 /nfs/dbraw/zinc/52/53/04/640525304.db2.gz IBZNEMATSJQQFV-LLVKDONJSA-N 0 3 244.335 1.838 20 5 BDBDHN Cc1nn(C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000917730787 642114621 /nfs/dbraw/zinc/11/46/21/642114621.db2.gz BEWRAVFRPGFWCQ-VIFPVBQESA-N 0 3 224.264 1.194 20 5 BDBDHN CC1(C)CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008012 969334530 /nfs/dbraw/zinc/33/45/30/969334530.db2.gz QOWIVCVPTMKNEY-MNOVXSKESA-N 0 3 242.319 1.543 20 5 BDBDHN O=[N+]([O-])c1ccc(N[C@H]2CN3CCC2CC3)cn1 ZINC000054613345 964058645 /nfs/dbraw/zinc/05/86/45/964058645.db2.gz FYVVBALHVSYXRZ-NSHDSACASA-N 0 3 248.286 1.496 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2nccs2)C1 ZINC001168958806 969310240 /nfs/dbraw/zinc/31/02/40/969310240.db2.gz PVWSRYORPRJXJR-BDAKNGLRSA-N 0 3 241.316 1.678 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2Cc3cccnc3C2)C1 ZINC001169007725 969333699 /nfs/dbraw/zinc/33/36/99/969333699.db2.gz PUSXYNLPTYRKHN-PWSUYJOCSA-N 0 3 247.298 1.843 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001169007576 969335825 /nfs/dbraw/zinc/33/58/25/969335825.db2.gz OEYIHBVLRYXHHY-WHOHXGKFSA-N 0 3 240.303 1.295 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@@H]3C[C@@H]3[C@@H](F)C2)C1 ZINC001169011958 969338289 /nfs/dbraw/zinc/33/82/89/969338289.db2.gz NWYPINFWVICIAU-HTFCKZLJSA-N 0 3 242.294 1.722 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)C1 ZINC001169011957 969339045 /nfs/dbraw/zinc/33/90/45/969339045.db2.gz NWYPINFWVICIAU-HHHUOAJASA-N 0 3 242.294 1.722 20 5 BDBDHN Cn1ccnc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209932425 969695494 /nfs/dbraw/zinc/69/54/94/969695494.db2.gz OOPFTQAYUUYQCH-UHFFFAOYSA-N 0 3 233.231 1.654 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCCF)C2 ZINC001254572818 969739276 /nfs/dbraw/zinc/73/92/76/969739276.db2.gz SOPPCSHYKDZRSG-JTQLQIEISA-N 0 3 224.235 1.621 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@H]1Cc1ccccc1 ZINC001335989105 977410831 /nfs/dbraw/zinc/41/08/31/977410831.db2.gz ZUYSEIWZRXVRLE-NEPJUHHUSA-N 0 3 220.272 1.484 20 5 BDBDHN C[C@H](N)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342518423 979820701 /nfs/dbraw/zinc/82/07/01/979820701.db2.gz MOTDCNXDLOAQHI-YUMQZZPRSA-N 0 3 237.259 1.119 20 5 BDBDHN C/C(=C/c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714165 982868229 /nfs/dbraw/zinc/86/82/29/982868229.db2.gz LSYFBIUEIFOTMR-XZLDQRQTSA-N 0 3 239.227 1.891 20 5 BDBDHN C[C@@H]1COC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000688049048 985533943 /nfs/dbraw/zinc/53/39/43/985533943.db2.gz PFLOLAOFWISSIG-KOLCDFICSA-N 0 3 236.271 1.719 20 5 BDBDHN O=[N+]([O-])CCN1CCCC[C@]12CCCOC2 ZINC001460980640 985976545 /nfs/dbraw/zinc/97/65/45/985976545.db2.gz SQZLSUVRQHSADB-LLVKDONJSA-N 0 3 228.292 1.298 20 5 BDBDHN C[C@H](NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083734 398303851 /nfs/dbraw/zinc/30/38/51/398303851.db2.gz VTWZRUCHBMDZRH-JTQLQIEISA-N 0 3 237.303 1.807 20 5 BDBDHN Cc1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000080684756 345430541 /nfs/dbraw/zinc/43/05/41/345430541.db2.gz KKFBEKCSERKQJC-UHFFFAOYSA-N 0 3 237.303 1.901 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCOC1 ZINC000591641887 347682318 /nfs/dbraw/zinc/68/23/18/347682318.db2.gz OAFSPGMYHYVJKP-OGOUPESXSA-N 0 3 248.282 1.987 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[C@H]1O ZINC000594514736 348061746 /nfs/dbraw/zinc/06/17/46/348061746.db2.gz ANUQFKAGNCYCAR-DMDPSCGWSA-N 0 3 248.282 1.695 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCCC1 ZINC000339185120 180176698 /nfs/dbraw/zinc/17/66/98/180176698.db2.gz UESQHFPVWPODEO-UHFFFAOYSA-N 0 3 238.291 1.586 20 5 BDBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293315240 351016270 /nfs/dbraw/zinc/01/62/70/351016270.db2.gz FRVYYDSPZKTHPG-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN CC[C@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386835048 363049262 /nfs/dbraw/zinc/04/92/62/363049262.db2.gz ILXGVVSMAKFICH-ONGXEEELSA-N 0 3 238.287 1.844 20 5 BDBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352186353 134099765 /nfs/dbraw/zinc/09/97/65/134099765.db2.gz LITYYYRCHRIXNA-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN O=[N+]([O-])c1ccc(-c2cnn3c2CNCC3)cc1 ZINC000675077023 538512872 /nfs/dbraw/zinc/51/28/72/538512872.db2.gz WGVLNNMICPEJJY-UHFFFAOYSA-N 0 3 244.254 1.562 20 5 BDBDHN O=[N+]([O-])c1ccccc1CCNCc1cn[nH]c1 ZINC000610271403 357404971 /nfs/dbraw/zinc/40/49/71/357404971.db2.gz WKVARGASKLGEPP-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C[C@@H](O)C1 ZINC000574414038 365057840 /nfs/dbraw/zinc/05/78/40/365057840.db2.gz KEMQYOVFKJGXOM-SBMIAAHKSA-N 0 3 248.282 1.695 20 5 BDBDHN C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953451 369375596 /nfs/dbraw/zinc/37/55/96/369375596.db2.gz WENJHRWEMBZNBP-ONGXEEELSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601977482 371781338 /nfs/dbraw/zinc/78/13/38/371781338.db2.gz USBJBOVYALWHKS-TXEJJXNPSA-N 0 3 248.282 1.673 20 5 BDBDHN C[C@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824218 371844294 /nfs/dbraw/zinc/84/42/94/371844294.db2.gz YGSNHVIZDSKLLU-WCBMZHEXSA-N 0 3 238.291 1.607 20 5 BDBDHN CN1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040672423 373588661 /nfs/dbraw/zinc/58/86/61/373588661.db2.gz WLMVQZWGKLIMLR-LBPRGKRZSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000096811703 383942539 /nfs/dbraw/zinc/94/25/39/383942539.db2.gz UOHUBEPHPMXLRN-SECBINFHSA-N 0 3 224.260 1.455 20 5 BDBDHN CCN(CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158656492 384081246 /nfs/dbraw/zinc/08/12/46/384081246.db2.gz DVFGLWVXTXJVRK-UHFFFAOYSA-N 0 3 238.287 1.717 20 5 BDBDHN CC(C)(CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000135225799 384188637 /nfs/dbraw/zinc/18/86/37/384188637.db2.gz FUFSKMYANBVOGB-UHFFFAOYSA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)C1CC1 ZINC000071300362 384804622 /nfs/dbraw/zinc/80/46/22/384804622.db2.gz PRPITFSWVXVKTR-LBPRGKRZSA-N 0 3 236.271 1.455 20 5 BDBDHN C[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000120156728 385195611 /nfs/dbraw/zinc/19/56/11/385195611.db2.gz ZNUXQIJYEXMHRP-LBPRGKRZSA-N 0 3 236.271 1.863 20 5 BDBDHN C[C@H](O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000159464359 386559681 /nfs/dbraw/zinc/55/96/81/386559681.db2.gz GGXSLSVCOICJHY-UWVGGRQHSA-N 0 3 238.287 1.968 20 5 BDBDHN C[C@H](O)C(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000127246018 387100910 /nfs/dbraw/zinc/10/09/10/387100910.db2.gz WYILWNIMOGCPJO-VIFPVBQESA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1cnccc1NCCN1CCCC1 ZINC000054128695 387347126 /nfs/dbraw/zinc/34/71/26/387347126.db2.gz LBSFZSPRPXNDGR-UHFFFAOYSA-N 0 3 236.275 1.498 20 5 BDBDHN C[C@H](N[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000295842182 387440248 /nfs/dbraw/zinc/44/02/48/387440248.db2.gz DJWIBYWHJNJKNF-PTOFAABTSA-N 0 3 236.271 1.769 20 5 BDBDHN C[C@@H](NCCC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000036746800 388258924 /nfs/dbraw/zinc/25/89/24/388258924.db2.gz CPUWSNLCBZGKCV-MRVPVSSYSA-N 0 3 237.259 1.121 20 5 BDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271023937 388370105 /nfs/dbraw/zinc/37/01/05/388370105.db2.gz VMWVFLYRQZRTNU-GQCTYLIASA-N 0 3 236.271 1.532 20 5 BDBDHN C[C@H](O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000078780458 388685386 /nfs/dbraw/zinc/68/53/86/388685386.db2.gz HXXRBWBOPGADOL-VIFPVBQESA-N 0 3 224.260 1.455 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[C@H]1O ZINC000424194587 388695043 /nfs/dbraw/zinc/69/50/43/388695043.db2.gz BNFSPNNBHVMEIH-VWRYTFAISA-N 0 3 248.282 1.721 20 5 BDBDHN C[C@H](CO)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000125730582 388805723 /nfs/dbraw/zinc/80/57/23/388805723.db2.gz NJTQPKVRSSLTTK-SFYZADRCSA-N 0 3 244.316 1.763 20 5 BDBDHN C[C@@H](O)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000087129376 135107400 /nfs/dbraw/zinc/10/74/00/135107400.db2.gz PROVGHWHUYXLJI-DTWKUNHWSA-N 0 3 224.260 1.454 20 5 BDBDHN C[C@@H](CCO)CNCc1csc([N+](=O)[O-])c1 ZINC000085126700 175677922 /nfs/dbraw/zinc/67/79/22/175677922.db2.gz GBMYRMPLSPTYES-QMMMGPOBSA-N 0 3 244.316 1.764 20 5 BDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351783319 176304884 /nfs/dbraw/zinc/30/48/84/176304884.db2.gz RKWHIXOZNFGJPH-BXKDBHETSA-N 0 3 236.271 1.407 20 5 BDBDHN CC(COC(=O)C1(C)CCCC1)[N+](=O)[O-] ZINC000813106407 586592872 /nfs/dbraw/zinc/59/28/72/586592872.db2.gz CODJIUXJVNBXLG-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000096478885 322957960 /nfs/dbraw/zinc/95/79/60/322957960.db2.gz AHSJIRYDXRAHDE-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1c(CN(C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000051822057 488049486 /nfs/dbraw/zinc/04/94/86/488049486.db2.gz ZKGXZFCWVIHSFI-VIFPVBQESA-N 0 3 238.287 1.716 20 5 BDBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115601 582592508 /nfs/dbraw/zinc/59/25/08/582592508.db2.gz WCXZLYDOIIKQMW-TVSKSKRASA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)C[C@@H]1C[C@H]1C1CC1)[N+](=O)[O-] ZINC000893044451 583036055 /nfs/dbraw/zinc/03/60/55/583036055.db2.gz IUAXANOXEQIMBV-JEZHCXPESA-N 0 3 227.260 1.631 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1COc2ccccc2C1 ZINC000899868263 584244095 /nfs/dbraw/zinc/24/40/95/584244095.db2.gz XEKKNDDJKQLEDG-JTQLQIEISA-N 0 3 236.271 1.104 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000899873277 584246018 /nfs/dbraw/zinc/24/60/18/584246018.db2.gz LPWKFKDCICSXON-UHFFFAOYSA-N 0 3 239.231 1.004 20 5 BDBDHN CC(C)[C@H]1N(CC[N+](=O)[O-])CC12CCOCC2 ZINC000899887739 584247815 /nfs/dbraw/zinc/24/78/15/584247815.db2.gz FVLJMBJYAMCWHP-LLVKDONJSA-N 0 3 242.319 1.400 20 5 BDBDHN CC[C@@H](CC(F)F)C(=O)OCC(C)[N+](=O)[O-] ZINC000838965166 585082461 /nfs/dbraw/zinc/08/24/61/585082461.db2.gz OEKDVKTYWUFJDT-RQJHMYQMSA-N 0 3 239.218 1.876 20 5 BDBDHN CC(C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102493 586592128 /nfs/dbraw/zinc/59/21/28/586592128.db2.gz GFOZCMDGCHSMRP-YUMQZZPRSA-N 0 3 203.238 1.487 20 5 BDBDHN CC(COC(=O)[C@H](C)OCC1CC1)[N+](=O)[O-] ZINC000813103684 586592244 /nfs/dbraw/zinc/59/22/44/586592244.db2.gz FFZMBLHXKDICEA-SFYZADRCSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C12CCC(CC1)C2)[N+](=O)[O-] ZINC000813103744 586592298 /nfs/dbraw/zinc/59/22/98/586592298.db2.gz SEKQTHBQTHLQAC-SILCLGDVSA-N 0 3 227.260 1.775 20 5 BDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813104207 586592386 /nfs/dbraw/zinc/59/23/86/586592386.db2.gz YAKBWJXLPUVEHR-MRVPVSSYSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)[C@@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000813104105 586592446 /nfs/dbraw/zinc/59/24/46/586592446.db2.gz JYKCMFFQQIMCHG-WHFBIAKZSA-N 0 3 242.058 1.389 20 5 BDBDHN CC(COC(=O)[C@H]1CC1(C)C)[N+](=O)[O-] ZINC000813105288 586592532 /nfs/dbraw/zinc/59/25/32/586592532.db2.gz XMHJKAYONHPQRD-NKWVEPMBSA-N 0 3 201.222 1.241 20 5 BDBDHN CC(C)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103813 586592570 /nfs/dbraw/zinc/59/25/70/586592570.db2.gz UNAZEOPMSSCRAF-BDAKNGLRSA-N 0 3 217.265 1.877 20 5 BDBDHN Cc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105227 586592594 /nfs/dbraw/zinc/59/25/94/586592594.db2.gz KTNYMYIXEJDNAJ-MRVPVSSYSA-N 0 3 224.216 1.212 20 5 BDBDHN CCC/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813106259 586592694 /nfs/dbraw/zinc/59/26/94/586592694.db2.gz BNZOSUOXISUSLA-XZLDQRQTSA-N 0 3 215.249 1.941 20 5 BDBDHN CC(COC(=O)c1cccc2c1CCC2)[N+](=O)[O-] ZINC000813108032 586592806 /nfs/dbraw/zinc/59/28/06/586592806.db2.gz UEZKJQKARPGZEP-VIFPVBQESA-N 0 3 249.266 1.997 20 5 BDBDHN CC(COC(=O)c1cc(Cl)cn1C)[N+](=O)[O-] ZINC000813109952 586593027 /nfs/dbraw/zinc/59/30/27/586593027.db2.gz QNHUBQPFSACJDQ-LURJTMIESA-N 0 3 246.650 1.501 20 5 BDBDHN Cc1c[nH]cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109252 586593049 /nfs/dbraw/zinc/59/30/49/586593049.db2.gz QGQVSQVZANFJHA-ZETCQYMHSA-N 0 3 212.205 1.145 20 5 BDBDHN CC(COC(=O)[C@H](C)C1CCOCC1)[N+](=O)[O-] ZINC000813109704 586593089 /nfs/dbraw/zinc/59/30/89/586593089.db2.gz NZWHXQBXPHQQQP-RKDXNWHRSA-N 0 3 245.275 1.258 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[N+](=O)[O-] ZINC000813109879 586593333 /nfs/dbraw/zinc/59/33/33/586593333.db2.gz PVMVBGSMSGAQJT-IWSPIJDZSA-N 0 3 243.259 1.200 20 5 BDBDHN CSC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813110061 586593391 /nfs/dbraw/zinc/59/33/91/586593391.db2.gz ZDSCLXPTWYJQKF-LURJTMIESA-N 0 3 219.262 1.090 20 5 BDBDHN CC(COC(=O)CCc1cccs1)[N+](=O)[O-] ZINC000813111333 586593523 /nfs/dbraw/zinc/59/35/23/586593523.db2.gz RGWHSSHWFZSUEF-QMMMGPOBSA-N 0 3 243.284 1.889 20 5 BDBDHN CC[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813112013 586593623 /nfs/dbraw/zinc/59/36/23/586593623.db2.gz BSUWGWMYGNXJAZ-KXUCPTDWSA-N 0 3 245.275 1.400 20 5 BDBDHN Cc1cscc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111097 586593645 /nfs/dbraw/zinc/59/36/45/586593645.db2.gz CKPLVQLTGWEVEJ-SSDOTTSWSA-N 0 3 229.257 1.879 20 5 BDBDHN CC(=O)C(C)(C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813114659 586593848 /nfs/dbraw/zinc/59/38/48/586593848.db2.gz FHLHVSLQUNRXHJ-MRVPVSSYSA-N 0 3 245.275 1.590 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ns1 ZINC000813113432 586594133 /nfs/dbraw/zinc/59/41/33/586594133.db2.gz PUSBXFAUESUEDS-RXMQYKEDSA-N 0 3 230.245 1.274 20 5 BDBDHN CCO[C@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813115676 586594237 /nfs/dbraw/zinc/59/42/37/586594237.db2.gz XNOYVQUKPVWJNM-NXEZZACHSA-N 0 3 247.291 1.646 20 5 BDBDHN CC(COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)[N+](=O)[O-] ZINC000817739877 586823417 /nfs/dbraw/zinc/82/34/17/586823417.db2.gz QDZKRLAWIQIKFS-ZYUZMQFOSA-N 0 3 227.260 1.631 20 5 BDBDHN CC(C)C[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454334 587803084 /nfs/dbraw/zinc/80/30/84/587803084.db2.gz IZSWLZZCGXDVDC-IVZWLZJFSA-N 0 3 229.276 1.877 20 5 BDBDHN CCOC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000851037547 588582665 /nfs/dbraw/zinc/58/26/65/588582665.db2.gz WJGJPQAWAQICDU-MRVPVSSYSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)c1ccc(F)s1)[N+](=O)[O-] ZINC000851037545 588585943 /nfs/dbraw/zinc/58/59/43/588585943.db2.gz WGZWATMUAPMUEL-RXMQYKEDSA-N 0 3 233.220 1.709 20 5 BDBDHN CC(COC(=O)C[C@@H](C)c1ccco1)[N+](=O)[O-] ZINC000860777120 589119525 /nfs/dbraw/zinc/11/95/25/589119525.db2.gz KMOPRPBYSCLTRN-BDAKNGLRSA-N 0 3 241.243 1.982 20 5 BDBDHN CC(COC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)[N+](=O)[O-] ZINC000860777791 589119562 /nfs/dbraw/zinc/11/95/62/589119562.db2.gz WEBVNCIKJQKBGO-SOYHJAILSA-N 0 3 245.275 1.254 20 5 BDBDHN CC(COC(=O)C[C@H](C)c1ccco1)[N+](=O)[O-] ZINC000860777122 589119582 /nfs/dbraw/zinc/11/95/82/589119582.db2.gz KMOPRPBYSCLTRN-IUCAKERBSA-N 0 3 241.243 1.982 20 5 BDBDHN Cc1cocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777818 589119653 /nfs/dbraw/zinc/11/96/53/589119653.db2.gz WPYPCBFJTOLRBG-ZETCQYMHSA-N 0 3 213.189 1.410 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2C[C@@H]21 ZINC000878318460 590543999 /nfs/dbraw/zinc/54/39/99/590543999.db2.gz ZIIVLZGXBLZJAZ-ZJUUUORDSA-N 0 3 236.275 1.194 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](CF)C2)n1 ZINC000880295872 590990649 /nfs/dbraw/zinc/99/06/49/590990649.db2.gz ZLQXQOXJUZMNIX-VIFPVBQESA-N 0 3 242.254 1.083 20 5 BDBDHN COc1cc(CCNCC[N+](=O)[O-])ccc1C ZINC000905131654 637641708 /nfs/dbraw/zinc/64/17/08/637641708.db2.gz GYZJLSZFRISMDP-UHFFFAOYSA-N 0 3 238.287 1.412 20 5 BDBDHN Cc1cccn2cc(CCNCC[N+](=O)[O-])nc12 ZINC000905143488 637651054 /nfs/dbraw/zinc/65/10/54/637651054.db2.gz AKCDBVPZDDCXDV-UHFFFAOYSA-N 0 3 248.286 1.052 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccc(Cl)nc1 ZINC000905167159 637678068 /nfs/dbraw/zinc/67/80/68/637678068.db2.gz IUKKJKCBEFLCRD-UHFFFAOYSA-N 0 3 229.667 1.144 20 5 BDBDHN C[C@H](C[C@H](O)c1ccccc1)NCC[N+](=O)[O-] ZINC000905362542 637788202 /nfs/dbraw/zinc/78/82/02/637788202.db2.gz UYFTXMIRSICIJX-PWSUYJOCSA-N 0 3 238.287 1.365 20 5 BDBDHN CC(C)O[C@@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930629201 639830211 /nfs/dbraw/zinc/83/02/11/639830211.db2.gz SMCOWQZEUFJSQS-VHSXEESVSA-N 0 3 230.308 1.445 20 5 BDBDHN CC(C)(C)O[C@@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930739374 639887958 /nfs/dbraw/zinc/88/79/58/639887958.db2.gz MYADGBZICKWHHJ-VHSXEESVSA-N 0 3 244.335 1.835 20 5 BDBDHN O=[N+]([O-])CCNC1([C@H]2CCCCO2)CCC1 ZINC000931562190 640275260 /nfs/dbraw/zinc/27/52/60/640275260.db2.gz ARNRRLFIRUVKPN-SNVBAGLBSA-N 0 3 228.292 1.345 20 5 BDBDHN CC[C@@H](CO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773224 641377966 /nfs/dbraw/zinc/37/79/66/641377966.db2.gz CQCJXSPTHJJNDX-VIFPVBQESA-N 0 3 242.250 1.594 20 5 BDBDHN CN(CCC1CCOCC1)CC[N+](=O)[O-] ZINC000929827901 646343099 /nfs/dbraw/zinc/34/30/99/646343099.db2.gz XGXRTVONLPHOBV-UHFFFAOYSA-N 0 3 216.281 1.012 20 5 BDBDHN C[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000160059914 711805458 /nfs/dbraw/zinc/80/54/58/711805458.db2.gz VBUYDXUZBCBYAK-QMMMGPOBSA-N 0 3 247.258 1.254 20 5 BDBDHN Cc1ccc(CN[C@]23C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000718044512 712738374 /nfs/dbraw/zinc/73/83/74/712738374.db2.gz LLJWNGBHTAGNRE-AAEUAGOBSA-N 0 3 248.282 1.782 20 5 BDBDHN C[C@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000719580363 712812515 /nfs/dbraw/zinc/81/25/15/712812515.db2.gz RKNNVJLPBIWBPU-IUCAKERBSA-N 0 3 236.275 1.494 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCC[C@H](F)C2)C1 ZINC001169036655 969357240 /nfs/dbraw/zinc/35/72/40/969357240.db2.gz PKHSMTMEKVCVOP-DCAQKATOSA-N 0 3 230.283 1.866 20 5 BDBDHN Cc1cc(CN)nn1-c1nc(C)ccc1[N+](=O)[O-] ZINC001163984944 965678001 /nfs/dbraw/zinc/67/80/01/965678001.db2.gz FSUPGKJEIASVJH-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN NC1=CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984746 969300254 /nfs/dbraw/zinc/30/02/54/969300254.db2.gz AENHBQFHIVLGTN-KOLCDFICSA-N 0 3 223.276 1.104 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2C[C@@H]3C[C@@H]3[C@H](F)C2)C1 ZINC001169011961 969339677 /nfs/dbraw/zinc/33/96/77/969339677.db2.gz NWYPINFWVICIAU-UHFZAUJKSA-N 0 3 242.294 1.722 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC=CC1)C2 ZINC001254599705 969744943 /nfs/dbraw/zinc/74/49/43/969744943.db2.gz PCULSALKRVTAAS-CYBMUJFWSA-N 0 3 230.267 1.934 20 5 BDBDHN COCCN(CC[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC001332980984 975352321 /nfs/dbraw/zinc/35/23/21/975352321.db2.gz OVESKXKKTZVXSH-QWRGUYRKSA-N 0 3 230.308 1.400 20 5 BDBDHN CCn1cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001343653761 980179109 /nfs/dbraw/zinc/17/91/09/980179109.db2.gz XECYAFACLPFBPT-MRVPVSSYSA-N 0 3 226.232 1.330 20 5 BDBDHN CC[C@H](COCC1CC1)NCC[N+](=O)[O-] ZINC001353326308 982837433 /nfs/dbraw/zinc/83/74/33/982837433.db2.gz WQFCZLXQSYHPRG-SNVBAGLBSA-N 0 3 216.281 1.058 20 5 BDBDHN CC(COC(=O)[C@]1(C)C=CCC1)[N+](=O)[O-] ZINC001518855863 989345472 /nfs/dbraw/zinc/34/54/72/989345472.db2.gz RHMJRPGESMFQMY-WCBMZHEXSA-N 0 3 213.233 1.551 20 5 BDBDHN C[C@@H]1CC[C@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC001119805215 989413512 /nfs/dbraw/zinc/41/35/12/989413512.db2.gz GVJKIHQPJBOJJI-MNOVXSKESA-N 0 3 212.293 1.775 20 5 BDBDHN CC(COC(=O)C[C@H]1CC=CCC1)[N+](=O)[O-] ZINC001123042966 990497205 /nfs/dbraw/zinc/49/72/05/990497205.db2.gz UVTQREKDKCVIRT-UWVGGRQHSA-N 0 3 227.260 1.941 20 5 BDBDHN Cc1cc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000271758370 178112708 /nfs/dbraw/zinc/11/27/08/178112708.db2.gz XXSMWLIUZLVGAL-UHFFFAOYSA-N 0 3 235.287 1.653 20 5 BDBDHN C[C@@H](NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020083730 398304084 /nfs/dbraw/zinc/30/40/84/398304084.db2.gz VTWZRUCHBMDZRH-SNVBAGLBSA-N 0 3 237.303 1.807 20 5 BDBDHN C[C@@H](NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000020188634 398315838 /nfs/dbraw/zinc/31/58/38/398315838.db2.gz XZHFRVODOVMDOU-SECBINFHSA-N 0 3 224.260 1.628 20 5 BDBDHN CC(C)(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000126385082 343896105 /nfs/dbraw/zinc/89/61/05/343896105.db2.gz DMPWFNYHGQJOKG-UHFFFAOYSA-N 0 3 238.287 1.703 20 5 BDBDHN C[C@@H](CNCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000038088051 343942241 /nfs/dbraw/zinc/94/22/41/343942241.db2.gz RXTBUQYROXYBIK-JTQLQIEISA-N 0 3 237.303 1.635 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)C1 ZINC000611468480 344744846 /nfs/dbraw/zinc/74/48/46/344744846.db2.gz RVRQNLFOMBBXEY-SECBINFHSA-N 0 3 238.291 1.442 20 5 BDBDHN Cc1ccc(CN[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000594998094 348168568 /nfs/dbraw/zinc/16/85/68/348168568.db2.gz GPRYNZBIBRLIJH-XYPYZODXSA-N 0 3 236.271 1.516 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1C[C@H](O)C1 ZINC000595000341 348168699 /nfs/dbraw/zinc/16/86/99/348168699.db2.gz FMBCUOSSPFMXOZ-LSTVRDIWSA-N 0 3 248.282 1.721 20 5 BDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC2)c1 ZINC000062351288 188303198 /nfs/dbraw/zinc/30/31/98/188303198.db2.gz SBBQLVKQWHPQGY-GFCCVEGCSA-N 0 3 236.271 1.724 20 5 BDBDHN C[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035115411 355828668 /nfs/dbraw/zinc/82/86/68/355828668.db2.gz NHQNKNHXBZGXPA-IUCAKERBSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035602258 358002474 /nfs/dbraw/zinc/00/24/74/358002474.db2.gz CALNQSQJIUGOOX-BDAKNGLRSA-N 0 3 224.260 1.626 20 5 BDBDHN CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CCN1 ZINC000212804417 359330565 /nfs/dbraw/zinc/33/05/65/359330565.db2.gz WNIHZRIROJJJPP-UHFFFAOYSA-N 0 3 236.275 1.178 20 5 BDBDHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000424316569 200908296 /nfs/dbraw/zinc/90/82/96/200908296.db2.gz NDMYXFAXRRECOQ-XXILOJSOSA-N 0 3 236.271 1.769 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@@H]2O)cc1 ZINC000037690265 364525195 /nfs/dbraw/zinc/52/51/95/364525195.db2.gz WWIDOUAELGFRGW-NEPJUHHUSA-N 0 3 236.271 1.598 20 5 BDBDHN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401953450 369375586 /nfs/dbraw/zinc/37/55/86/369375586.db2.gz WENJHRWEMBZNBP-MWLCHTKSSA-N 0 3 236.271 1.862 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C1CC1 ZINC000602754542 371838242 /nfs/dbraw/zinc/83/82/42/371838242.db2.gz NPLHWCKLKDRBCU-UHFFFAOYSA-N 0 3 224.264 1.194 20 5 BDBDHN CCS[C@H]1CCCCN(CC[N+](=O)[O-])C1 ZINC000791051738 583383905 /nfs/dbraw/zinc/38/39/05/583383905.db2.gz ICCKZFWUROVNRX-JTQLQIEISA-N 0 3 232.349 1.871 20 5 BDBDHN CCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653016 169077397 /nfs/dbraw/zinc/07/73/97/169077397.db2.gz NAOJTJIUUZQDIB-GFCCVEGCSA-N 0 3 238.287 1.970 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@@H]1O ZINC000050015793 383888561 /nfs/dbraw/zinc/88/85/61/383888561.db2.gz KIJRJZWBTILLGU-JQWIXIFHSA-N 0 3 236.271 1.598 20 5 BDBDHN CSCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000120123276 384443175 /nfs/dbraw/zinc/44/31/75/384443175.db2.gz PCHHWMMXVSBRHA-UHFFFAOYSA-N 0 3 244.320 1.086 20 5 BDBDHN CN(CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000299303404 384512898 /nfs/dbraw/zinc/51/28/98/384512898.db2.gz ZAMDTPNAERKQSW-UHFFFAOYSA-N 0 3 224.260 1.409 20 5 BDBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000020474733 384640011 /nfs/dbraw/zinc/64/00/11/384640011.db2.gz LXJMYIRYWGPGOC-UHFFFAOYSA-N 0 3 227.239 1.707 20 5 BDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)C2CC2)c1 ZINC000071300347 384808004 /nfs/dbraw/zinc/80/80/04/384808004.db2.gz HNFISTIYMLUPBN-GFCCVEGCSA-N 0 3 236.271 1.455 20 5 BDBDHN C[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292167701 385614623 /nfs/dbraw/zinc/61/46/23/385614623.db2.gz PGJRHIDQDRRFLY-SECBINFHSA-N 0 3 238.287 1.800 20 5 BDBDHN CC(C)(NCCO)c1ccccc1[N+](=O)[O-] ZINC000292247428 385631198 /nfs/dbraw/zinc/63/11/98/385631198.db2.gz XIEGWUAKQOIPIT-UHFFFAOYSA-N 0 3 224.260 1.412 20 5 BDBDHN C[C@@H](CO)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086624251 386086674 /nfs/dbraw/zinc/08/66/74/386086674.db2.gz IQVDQVZOUDOEIE-NXEZZACHSA-N 0 3 238.287 1.874 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCCCCO ZINC000036387816 388042127 /nfs/dbraw/zinc/04/21/27/388042127.db2.gz MZKPWIHTKZUIPX-UHFFFAOYSA-N 0 3 224.260 1.457 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)C)n1 ZINC000162603256 388354080 /nfs/dbraw/zinc/35/40/80/388354080.db2.gz RZTQCWZDGKXBRT-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)c1cccc([N+](=O)[O-])c1 ZINC000424105796 388694302 /nfs/dbraw/zinc/69/43/02/388694302.db2.gz WOKYOSADCTXCGA-XROYCOCOSA-N 0 3 249.270 1.119 20 5 BDBDHN Cc1cc(N2CCN[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026667 132237939 /nfs/dbraw/zinc/23/79/39/132237939.db2.gz YHZMFWHTRUUUHE-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCOC2)c1 ZINC000070969272 135016097 /nfs/dbraw/zinc/01/60/97/135016097.db2.gz DMSPAMGLMXXEPH-SNVBAGLBSA-N 0 3 222.244 1.473 20 5 BDBDHN COCCCNCc1cccc([N+](=O)[O-])c1 ZINC000008728601 174247933 /nfs/dbraw/zinc/24/79/33/174247933.db2.gz RSZCPRUFJUHWQH-UHFFFAOYSA-N 0 3 224.260 1.721 20 5 BDBDHN COc1ccc(CN[C@H](C)CO)cc1[N+](=O)[O-] ZINC000035604590 175111569 /nfs/dbraw/zinc/11/15/69/175111569.db2.gz SHLOYVNYKWCFIE-MRVPVSSYSA-N 0 3 240.259 1.074 20 5 BDBDHN C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174881807 177109767 /nfs/dbraw/zinc/10/97/67/177109767.db2.gz KQHBMNINHDWEME-VIFPVBQESA-N 0 3 224.264 1.276 20 5 BDBDHN COCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418412 323123757 /nfs/dbraw/zinc/12/37/57/323123757.db2.gz PCHHNDDLSISOII-LLVKDONJSA-N 0 3 236.271 1.818 20 5 BDBDHN CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665266 325164466 /nfs/dbraw/zinc/16/44/66/325164466.db2.gz UPZHZSDJUKHBBM-VIFPVBQESA-N 0 3 236.275 1.496 20 5 BDBDHN CC[C@H](C)[C@@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106982 582583479 /nfs/dbraw/zinc/58/34/79/582583479.db2.gz JJXZWSXMBPCKTJ-DJLDLDEBSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)c1cccc(Cl)n1)[N+](=O)[O-] ZINC000813107910 582585132 /nfs/dbraw/zinc/58/51/32/582585132.db2.gz RNQKANXYUSRVEV-ZCFIWIBFSA-N 0 3 244.634 1.557 20 5 BDBDHN CC(COC(=O)c1cccn2nccc12)[N+](=O)[O-] ZINC000893045429 583037215 /nfs/dbraw/zinc/03/72/15/583037215.db2.gz WLYPZBYYUCJJAS-MRVPVSSYSA-N 0 3 249.226 1.156 20 5 BDBDHN CC(C)[C@@H]1N(CC[N+](=O)[O-])CC12CC=CC2 ZINC000899891511 584246562 /nfs/dbraw/zinc/24/65/62/584246562.db2.gz PTDGQQJCNVKICB-NSHDSACASA-N 0 3 224.304 1.940 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC(=O)C[C@H]1C)[N+](=O)[O-] ZINC000813103240 586591933 /nfs/dbraw/zinc/59/19/33/586591933.db2.gz ZFZGDOQYBSCYTH-NQMVMOMDSA-N 0 3 243.259 1.200 20 5 BDBDHN CC(C)CO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102463 586591941 /nfs/dbraw/zinc/59/19/41/586591941.db2.gz FUEZXMPAAUCRMY-IUCAKERBSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)c1ccc2cc[nH]c2n1)[N+](=O)[O-] ZINC000813103166 586592123 /nfs/dbraw/zinc/59/21/23/586592123.db2.gz YOSULALGXNPEMZ-ZETCQYMHSA-N 0 3 249.226 1.385 20 5 BDBDHN CC(COC(=O)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000813102373 586592226 /nfs/dbraw/zinc/59/22/26/586592226.db2.gz QDSDHKVDQOBGQG-LURJTMIESA-N 0 3 245.181 1.787 20 5 BDBDHN CC(COC(=O)CC1CCSCC1)[N+](=O)[O-] ZINC000813105051 586592358 /nfs/dbraw/zinc/59/23/58/586592358.db2.gz UPTBFONBVAHEQO-MRVPVSSYSA-N 0 3 247.316 1.728 20 5 BDBDHN COc1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105011 586592562 /nfs/dbraw/zinc/59/25/62/586592562.db2.gz JCQHOEKZCTYSMW-LURJTMIESA-N 0 3 245.256 1.579 20 5 BDBDHN CCc1noc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104174 586592607 /nfs/dbraw/zinc/59/26/07/586592607.db2.gz XKVZKOQXTYYPHC-ZCFIWIBFSA-N 0 3 242.231 1.367 20 5 BDBDHN CCC/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813106258 586592756 /nfs/dbraw/zinc/59/27/56/586592756.db2.gz BNZOSUOXISUSLA-ORZBULNSSA-N 0 3 215.249 1.941 20 5 BDBDHN CC(COC(=O)/C=C\C(C)(C)C)[N+](=O)[O-] ZINC000813106636 586592842 /nfs/dbraw/zinc/59/28/42/586592842.db2.gz FLMCLRQTHULAOB-SLGIHZDVSA-N 0 3 215.249 1.797 20 5 BDBDHN CC(C)OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109348 586593083 /nfs/dbraw/zinc/59/30/83/586593083.db2.gz IWZOXTDRIUUKPE-QMMMGPOBSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(C)OCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109347 586593125 /nfs/dbraw/zinc/59/31/25/586593125.db2.gz IWZOXTDRIUUKPE-MRVPVSSYSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)c1ocnc1C1CC1)[N+](=O)[O-] ZINC000813109937 586593379 /nfs/dbraw/zinc/59/33/79/586593379.db2.gz XQCHYXFXSREJGN-LURJTMIESA-N 0 3 240.215 1.374 20 5 BDBDHN CC(C)OCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112909 586593852 /nfs/dbraw/zinc/59/38/52/586593852.db2.gz WFPGRJBKURJLFA-SECBINFHSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)C1CCCC1)[N+](=O)[O-] ZINC000813113737 586594020 /nfs/dbraw/zinc/59/40/20/586594020.db2.gz IONQCDPRXBHYLI-SSDOTTSWSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)[C@H]1Cc2ccccc21)[N+](=O)[O-] ZINC000813112637 586594125 /nfs/dbraw/zinc/59/41/25/586594125.db2.gz RZFIAYDLGJSNKM-KCJUWKMLSA-N 0 3 235.239 1.535 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CCCOC1)[N+](=O)[O-] ZINC000813113826 586594137 /nfs/dbraw/zinc/59/41/37/586594137.db2.gz JRVBNXQEXZBAGN-SCZZXKLOSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(C)C(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115659 586594276 /nfs/dbraw/zinc/59/42/76/586594276.db2.gz XGADTZHKCSKSRU-MRVPVSSYSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)CCC(C)(C)[N+](=O)[O-])[N+](=O)[O-] ZINC000835453401 587802741 /nfs/dbraw/zinc/80/27/41/587802741.db2.gz BUWBJZSDMNDHRS-ZETCQYMHSA-N 0 3 248.235 1.030 20 5 BDBDHN CC(COC(=O)C1=CC[C@@H](C)CC1)[N+](=O)[O-] ZINC000835454620 587803155 /nfs/dbraw/zinc/80/31/55/587803155.db2.gz LENSILJWXIWAKF-BDAKNGLRSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@H]1[C@H]1C[C@H]1C)[N+](=O)[O-] ZINC000870378840 589661436 /nfs/dbraw/zinc/66/14/36/589661436.db2.gz YCGLGAQRGXEGFC-MBGOZMDMSA-N 0 3 227.260 1.487 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1[C@H]1C[C@H]1C)[N+](=O)[O-] ZINC000870378839 589661668 /nfs/dbraw/zinc/66/16/68/589661668.db2.gz YCGLGAQRGXEGFC-FHNUBNKASA-N 0 3 227.260 1.487 20 5 BDBDHN CN(CCCF)CCn1ccc([N+](=O)[O-])n1 ZINC000887139084 592454785 /nfs/dbraw/zinc/45/47/85/592454785.db2.gz ZCIZMLLQGUMLTP-UHFFFAOYSA-N 0 3 230.243 1.083 20 5 BDBDHN Cc1cccc(OCCCNCC[N+](=O)[O-])c1 ZINC000905027844 637575409 /nfs/dbraw/zinc/57/54/09/637575409.db2.gz SEMPFOVRIOCXFG-UHFFFAOYSA-N 0 3 238.287 1.630 20 5 BDBDHN CC[C@@H](COCC(F)(F)F)NCC[N+](=O)[O-] ZINC000905272595 637731402 /nfs/dbraw/zinc/73/14/02/637731402.db2.gz HSHRVAVUIFUDJO-ZETCQYMHSA-N 0 3 244.213 1.210 20 5 BDBDHN CC(C)(C)O[C@H]1C[C@H](NCC[N+](=O)[O-])C1 ZINC000905384304 637783892 /nfs/dbraw/zinc/78/38/92/637783892.db2.gz WQUQETRCFZXOHZ-KYZUINATSA-N 0 3 216.281 1.199 20 5 BDBDHN C[C@@H](C[C@H](O)c1ccccc1)NCC[N+](=O)[O-] ZINC000905362540 637788052 /nfs/dbraw/zinc/78/80/52/637788052.db2.gz UYFTXMIRSICIJX-JQWIXIFHSA-N 0 3 238.287 1.365 20 5 BDBDHN C[C@@H](C[C@@H](O)c1cccs1)NCC[N+](=O)[O-] ZINC000905368037 637789006 /nfs/dbraw/zinc/78/90/06/637789006.db2.gz XWMXGWFMNZZFMQ-DTWKUNHWSA-N 0 3 244.316 1.426 20 5 BDBDHN CC[C@@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905415908 637803322 /nfs/dbraw/zinc/80/33/22/637803322.db2.gz TZJOMKUQJRSVHB-VXGBXAGGSA-N 0 3 238.287 1.365 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCC2(CCC2)CO1 ZINC000905476899 637817337 /nfs/dbraw/zinc/81/73/37/637817337.db2.gz BARQAHYFBXUNKQ-SNVBAGLBSA-N 0 3 228.292 1.202 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCCC2(CCC2)O1 ZINC000905587662 637855159 /nfs/dbraw/zinc/85/51/59/637855159.db2.gz RAOAAIAFYRVAAS-JTQLQIEISA-N 0 3 228.292 1.345 20 5 BDBDHN CC(C)[C@@H](CC(F)(F)F)NCC[N+](=O)[O-] ZINC000930248350 639656421 /nfs/dbraw/zinc/65/64/21/639656421.db2.gz IMHNZIGRIUYBOK-SSDOTTSWSA-N 0 3 228.214 1.830 20 5 BDBDHN C/C=C\C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931339154 640165325 /nfs/dbraw/zinc/16/53/25/640165325.db2.gz VXLGDTCQLAPIHV-OTDNITJGSA-N 0 3 212.293 1.941 20 5 BDBDHN CC[C@]1(C)CCCN(CC[N+](=O)[O-])C1 ZINC000929747473 646279411 /nfs/dbraw/zinc/27/94/11/646279411.db2.gz DCDMZQFWPXPEMT-SNVBAGLBSA-N 0 3 200.282 1.775 20 5 BDBDHN CN1CC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000712587999 712434574 /nfs/dbraw/zinc/43/45/74/712434574.db2.gz VVEGUVUAIMXOSW-LLVKDONJSA-N 0 3 235.287 1.389 20 5 BDBDHN O=[N+]([O-])c1cc(CNC[C@H]2C[C@H](O)C2)cs1 ZINC000720913966 712877932 /nfs/dbraw/zinc/87/79/32/712877932.db2.gz HZHSXSWFGHXJMK-XWEPSHTISA-N 0 3 242.300 1.517 20 5 BDBDHN NC1=CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC=C1 ZINC001168984749 969302181 /nfs/dbraw/zinc/30/21/81/969302181.db2.gz AENHBQFHIVLGTN-MWLCHTKSSA-N 0 3 223.276 1.104 20 5 BDBDHN CC(=O)Nc1ccc(NC=N)cc1[N+](=O)[O-] ZINC001167869146 961366927 /nfs/dbraw/zinc/36/69/27/961366927.db2.gz SXFWMCXBVARYEA-UHFFFAOYSA-N 0 3 222.204 1.572 20 5 BDBDHN N=CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001167869499 961375029 /nfs/dbraw/zinc/37/50/29/961375029.db2.gz WTDNNLJOIXHLJN-UHFFFAOYSA-N 0 3 205.177 1.261 20 5 BDBDHN Cc1nc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158346374 963851946 /nfs/dbraw/zinc/85/19/46/963851946.db2.gz YLRHSLQYEQUYHY-SSDOTTSWSA-N 0 3 247.258 1.504 20 5 BDBDHN CN(c1ccc([N+](=O)[O-])nc1)c1cc(N)ccn1 ZINC001203569420 966695023 /nfs/dbraw/zinc/69/50/23/966695023.db2.gz DCQAFHAVPGVWBP-UHFFFAOYSA-N 0 3 245.242 1.735 20 5 BDBDHN C[C@H](N)c1ccn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168978198 969298477 /nfs/dbraw/zinc/29/84/77/969298477.db2.gz PSLCVRQHAXYYLT-LPEHRKFASA-N 0 3 238.291 1.521 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCOC3(CC3)C2)C1 ZINC001169047850 969363492 /nfs/dbraw/zinc/36/34/92/969363492.db2.gz RVMDWPRTDRZLQW-WDEREUQCSA-N 0 3 240.303 1.297 20 5 BDBDHN Cc1cc(-n2ccc([C@@H](C)N)n2)ncc1[N+](=O)[O-] ZINC001169231387 969511506 /nfs/dbraw/zinc/51/15/06/969511506.db2.gz IQWACFNVOATJTB-MRVPVSSYSA-N 0 3 247.258 1.504 20 5 BDBDHN CC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581745 969746476 /nfs/dbraw/zinc/74/64/76/969746476.db2.gz LYHVIXPHVQZKRG-LLVKDONJSA-N 0 3 234.255 1.241 20 5 BDBDHN CN1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711112 975041925 /nfs/dbraw/zinc/04/19/25/975041925.db2.gz ZTWVIBXFZBVEKL-SNVBAGLBSA-N 0 3 237.259 1.463 20 5 BDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1COC1 ZINC001173213503 975076829 /nfs/dbraw/zinc/07/68/29/975076829.db2.gz FVLHYBKVSPDADU-SECBINFHSA-N 0 3 236.271 1.514 20 5 BDBDHN Cc1ccc(O[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001226951282 975179866 /nfs/dbraw/zinc/17/98/66/975179866.db2.gz WXMWQIYBVRQQTG-NSHDSACASA-N 0 3 236.271 1.986 20 5 BDBDHN Cc1ccc(O[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001230143634 977120443 /nfs/dbraw/zinc/12/04/43/977120443.db2.gz NCWGBVJLWIGKCR-SNVBAGLBSA-N 0 3 236.271 1.986 20 5 BDBDHN CC[C@@H](N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001524231839 989987426 /nfs/dbraw/zinc/98/74/26/989987426.db2.gz NYVKWEHIWOTXRS-SNVBAGLBSA-N 0 3 237.259 1.579 20 5 BDBDHN CC(COC(=O)C1(C)CCC(=O)CC1)[N+](=O)[O-] ZINC001123042957 990496958 /nfs/dbraw/zinc/49/69/58/990496958.db2.gz URKQMDWWYNFKAX-QMMMGPOBSA-N 0 3 243.259 1.344 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1NCCN(C)C ZINC000052812170 178273516 /nfs/dbraw/zinc/27/35/16/178273516.db2.gz ZSOFCONQLDVYIY-UHFFFAOYSA-N 0 3 224.264 1.272 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCO1 ZINC000054978536 398282467 /nfs/dbraw/zinc/28/24/67/398282467.db2.gz KMLUTRCPYKPODW-LLVKDONJSA-N 0 3 236.271 1.863 20 5 BDBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000083662423 537918226 /nfs/dbraw/zinc/91/82/26/537918226.db2.gz LTEFNGVSHYTJNX-SECBINFHSA-N 0 3 238.287 1.844 20 5 BDBDHN CC1(C)CN[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591673143 347684803 /nfs/dbraw/zinc/68/48/03/347684803.db2.gz PWGXYQZLDVVNQL-JTQLQIEISA-N 0 3 249.270 1.531 20 5 BDBDHN C[C@@H](CCO)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000593109109 347860596 /nfs/dbraw/zinc/86/05/96/347860596.db2.gz IEIJSDMQVABVEZ-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1N(C)CC1CN(C)C1 ZINC000596453748 348552084 /nfs/dbraw/zinc/55/20/84/348552084.db2.gz NCYJWDOLABHDFD-UHFFFAOYSA-N 0 3 249.314 1.901 20 5 BDBDHN C[C@H](O)C1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000597233956 348700404 /nfs/dbraw/zinc/70/04/04/348700404.db2.gz DMUPRKZZGJHTOI-VIFPVBQESA-N 0 3 236.271 1.598 20 5 BDBDHN Cc1nn(C)c(SCCN(C)C)c1[N+](=O)[O-] ZINC000301607970 180361262 /nfs/dbraw/zinc/36/12/62/180361262.db2.gz OFEHLRXIRYTHRJ-UHFFFAOYSA-N 0 3 244.320 1.290 20 5 BDBDHN Cc1nn(C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000331331610 180390909 /nfs/dbraw/zinc/39/09/09/180390909.db2.gz OUUHCGKSGFWFCX-ZETCQYMHSA-N 0 3 212.253 1.050 20 5 BDBDHN C[C@@H](NC[C@H](C)CO)c1ccccc1[N+](=O)[O-] ZINC000086622733 352428392 /nfs/dbraw/zinc/42/83/92/352428392.db2.gz UGQXHMAUIUYENZ-VHSXEESVSA-N 0 3 238.287 1.874 20 5 BDBDHN CC(C)(N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040920428 188292722 /nfs/dbraw/zinc/29/27/22/188292722.db2.gz WVRMCMMMRDNDBQ-UHFFFAOYSA-N 0 3 223.232 1.271 20 5 BDBDHN C[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000035602414 358002376 /nfs/dbraw/zinc/00/23/76/358002376.db2.gz VOYYWLSQGMWMKN-MRVPVSSYSA-N 0 3 210.233 1.065 20 5 BDBDHN Cc1c(CNC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000035648937 358015365 /nfs/dbraw/zinc/01/53/65/358015365.db2.gz UPUONFRXMHAZOU-MRVPVSSYSA-N 0 3 224.260 1.374 20 5 BDBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000147787114 181327752 /nfs/dbraw/zinc/32/77/52/181327752.db2.gz UAWYABZSHRXCQQ-UHFFFAOYSA-N 0 3 249.270 1.092 20 5 BDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC1(C)C ZINC000566863880 326089284 /nfs/dbraw/zinc/08/92/84/326089284.db2.gz KUYAZPLZEUPECV-SECBINFHSA-N 0 3 238.291 1.607 20 5 BDBDHN CC(C)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000092392760 371096721 /nfs/dbraw/zinc/09/67/21/371096721.db2.gz NCVJOLPXJISXPK-LBPRGKRZSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@@H]1CCC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000602824216 371844256 /nfs/dbraw/zinc/84/42/56/371844256.db2.gz YGSNHVIZDSKLLU-PSASIEDQSA-N 0 3 238.291 1.607 20 5 BDBDHN CC[C@@H](C)[C@@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602806101 371842453 /nfs/dbraw/zinc/84/24/53/371842453.db2.gz OXROWNZDOJGVRJ-RKDXNWHRSA-N 0 3 240.307 1.853 20 5 BDBDHN CN1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000040672420 373587297 /nfs/dbraw/zinc/58/72/97/373587297.db2.gz BIJPAKULYKZJFC-GFCCVEGCSA-N 0 3 249.314 1.779 20 5 BDBDHN CC(C)(O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000092801059 384171795 /nfs/dbraw/zinc/17/17/95/384171795.db2.gz ADTJATMWNBCEEA-UHFFFAOYSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ccn(C[C@H](C)N(C)C)c(=O)c1[N+](=O)[O-] ZINC000358848359 384343986 /nfs/dbraw/zinc/34/39/86/384343986.db2.gz BFIYLNKICQEXLW-VIFPVBQESA-N 0 3 239.275 1.015 20 5 BDBDHN CN(C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000286952551 384453925 /nfs/dbraw/zinc/45/39/25/384453925.db2.gz MOSRBUAVLBFBHO-UHFFFAOYSA-N 0 3 227.239 1.707 20 5 BDBDHN CC[C@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994749 385685218 /nfs/dbraw/zinc/68/52/18/385685218.db2.gz ACUAUCPNZAUPFC-LLVKDONJSA-N 0 3 238.287 1.764 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1C[C@@H](O)C1 ZINC000294765993 386498043 /nfs/dbraw/zinc/49/80/43/386498043.db2.gz FMBCUOSSPFMXOZ-OIWRZFCRSA-N 0 3 248.282 1.721 20 5 BDBDHN C[C@@H](NC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035115415 387043283 /nfs/dbraw/zinc/04/32/83/387043283.db2.gz NHQNKNHXBZGXPA-DTWKUNHWSA-N 0 3 224.260 1.626 20 5 BDBDHN Cc1ccnc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000168967848 387375019 /nfs/dbraw/zinc/37/50/19/387375019.db2.gz BIEAMCPGLJORSZ-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN C[C@@H](CN(C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000168696313 387581268 /nfs/dbraw/zinc/58/12/68/387581268.db2.gz DVCWFSHUMPPQEE-JTQLQIEISA-N 0 3 237.303 1.635 20 5 BDBDHN CN(C)CCSc1ccc([N+](=O)[O-])cn1 ZINC000301614840 388600906 /nfs/dbraw/zinc/60/09/06/388600906.db2.gz UVHKORXFAVLKET-UHFFFAOYSA-N 0 3 227.289 1.644 20 5 BDBDHN C[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CO1 ZINC000401826772 388610848 /nfs/dbraw/zinc/61/08/48/388610848.db2.gz BPIYOBACCNWVEX-MWLCHTKSSA-N 0 3 236.271 1.862 20 5 BDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078640758 388683436 /nfs/dbraw/zinc/68/34/36/388683436.db2.gz TXUSQKIYHRATKT-UHFFFAOYSA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@@H](N[C@@H]1CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000424314125 388696394 /nfs/dbraw/zinc/69/63/94/388696394.db2.gz KKZKYQSQCNLTMN-GGZOMVNGSA-N 0 3 236.271 1.769 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCc2nnc[nH]2)c1 ZINC000080573117 388711285 /nfs/dbraw/zinc/71/12/85/388711285.db2.gz IXQKLOAZTSYWEI-UHFFFAOYSA-N 0 3 247.258 1.045 20 5 BDBDHN CC[C@@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000125774623 388806439 /nfs/dbraw/zinc/80/64/39/388806439.db2.gz XFTOYDHOYRLBLT-VIFPVBQESA-N 0 3 244.316 1.907 20 5 BDBDHN Cc1cc(=O)n(C[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000330873311 388761603 /nfs/dbraw/zinc/76/16/03/388761603.db2.gz HWSOVTCAPZFSJE-VIFPVBQESA-N 0 3 239.275 1.015 20 5 BDBDHN Cc1ccc(CN(C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000289389621 410262212 /nfs/dbraw/zinc/26/22/12/410262212.db2.gz DRVUDVSTBOSHJH-JTQLQIEISA-N 0 3 238.287 1.716 20 5 BDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000270868888 172410549 /nfs/dbraw/zinc/41/05/49/172410549.db2.gz NHNZJLOOWNQJLU-UHFFFAOYSA-N 0 3 239.250 1.484 20 5 BDBDHN CN1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000042546036 173154044 /nfs/dbraw/zinc/15/40/44/173154044.db2.gz BZBBMCWKPFASHM-VIFPVBQESA-N 0 3 241.316 1.450 20 5 BDBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])ccn2)C1 ZINC000043568057 173154593 /nfs/dbraw/zinc/15/45/93/173154593.db2.gz CPBFVZHQPKRQMJ-QMMMGPOBSA-N 0 3 222.248 1.106 20 5 BDBDHN CNCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000019474926 173334071 /nfs/dbraw/zinc/33/40/71/173334071.db2.gz UVFABURVFIYURJ-UHFFFAOYSA-N 0 3 223.232 1.061 20 5 BDBDHN CC(COC(=O)[C@H]1CCC1(C)C)[N+](=O)[O-] ZINC000851037549 588582544 /nfs/dbraw/zinc/58/25/44/588582544.db2.gz WKXRRUOGTYOXPT-HTQZYQBOSA-N 0 3 215.249 1.631 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)O ZINC000131173188 325123195 /nfs/dbraw/zinc/12/31/95/325123195.db2.gz DMXKFJXSNALMOW-ZJUUUORDSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1c(CN(C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000051822056 488049266 /nfs/dbraw/zinc/04/92/66/488049266.db2.gz ZKGXZFCWVIHSFI-SECBINFHSA-N 0 3 238.287 1.716 20 5 BDBDHN CC[C@@H](CCO)NCc1ccccc1[N+](=O)[O-] ZINC000123852080 488151302 /nfs/dbraw/zinc/15/13/02/488151302.db2.gz WNZKCPXAKABCRZ-NSHDSACASA-N 0 3 238.287 1.845 20 5 BDBDHN CC(COC(=O)C[C@H](C)n1cccc1)[N+](=O)[O-] ZINC000813114490 582592111 /nfs/dbraw/zinc/59/21/11/582592111.db2.gz CKGZQGJHQDAOLG-VHSXEESVSA-N 0 3 240.259 1.648 20 5 BDBDHN CC(COC(=O)c1cc(Cl)cn1C)[N+](=O)[O-] ZINC000813109954 582586864 /nfs/dbraw/zinc/58/68/64/582586864.db2.gz QNHUBQPFSACJDQ-ZCFIWIBFSA-N 0 3 246.650 1.501 20 5 BDBDHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813110752 582588107 /nfs/dbraw/zinc/58/81/07/582588107.db2.gz IRHYJXJEPRCQEZ-XCBNKYQSSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)c1ccc2[nH]cnc2c1)[N+](=O)[O-] ZINC000893045624 583036923 /nfs/dbraw/zinc/03/69/23/583036923.db2.gz ZAHLSGQDWFFABF-SSDOTTSWSA-N 0 3 249.226 1.385 20 5 BDBDHN CC(COC(=O)/C=C\c1ccco1)[N+](=O)[O-] ZINC000813103161 586591865 /nfs/dbraw/zinc/59/18/65/586591865.db2.gz APFBKCDYOPNFPX-LGYSABEFSA-N 0 3 225.200 1.501 20 5 BDBDHN CC(COC(=O)c1cc[nH]c1C1CC1)[N+](=O)[O-] ZINC000813102303 586591955 /nfs/dbraw/zinc/59/19/55/586591955.db2.gz DQYYBVHEBWTKGU-SSDOTTSWSA-N 0 3 238.243 1.714 20 5 BDBDHN CC(COC(=O)[C@@H]1CC=CCC1)[N+](=O)[O-] ZINC000813102851 586592186 /nfs/dbraw/zinc/59/21/86/586592186.db2.gz KGWDKUKLBVJRCJ-DTWKUNHWSA-N 0 3 213.233 1.551 20 5 BDBDHN CO[C@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103409 586592196 /nfs/dbraw/zinc/59/21/96/586592196.db2.gz PXQQCBPYVRFXGN-HTQZYQBOSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)C(C)(C)C(F)F)[N+](=O)[O-] ZINC000813104338 586592263 /nfs/dbraw/zinc/59/22/63/586592263.db2.gz YSSKWJRRPITJFW-RXMQYKEDSA-N 0 3 225.191 1.486 20 5 BDBDHN Cc1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105228 586592340 /nfs/dbraw/zinc/59/23/40/586592340.db2.gz KTNYMYIXEJDNAJ-QMMMGPOBSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC(F)(F)C1)[N+](=O)[O-] ZINC000813103868 586592346 /nfs/dbraw/zinc/59/23/46/586592346.db2.gz HNGOLMSGEPBCQO-NKWVEPMBSA-N 0 3 237.202 1.630 20 5 BDBDHN Cc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813105226 586592360 /nfs/dbraw/zinc/59/23/60/586592360.db2.gz KREGOXKAYSCMBI-YFKPBYRVSA-N 0 3 228.204 1.113 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813105210 586592558 /nfs/dbraw/zinc/59/25/58/586592558.db2.gz KLQCWJCZQYRSHO-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN CC(COC(=O)CCc1ccccc1)[N+](=O)[O-] ZINC000813107448 586592808 /nfs/dbraw/zinc/59/28/08/586592808.db2.gz QPKPABZTEXHUHW-JTQLQIEISA-N 0 3 237.255 1.828 20 5 BDBDHN CCc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109804 586593017 /nfs/dbraw/zinc/59/30/17/586593017.db2.gz PDGBXVGRCSVRMN-QMMMGPOBSA-N 0 3 238.243 1.466 20 5 BDBDHN CC(COC(=O)c1ccc(Cl)nc1)[N+](=O)[O-] ZINC000813109781 586593251 /nfs/dbraw/zinc/59/32/51/586593251.db2.gz WQDYRNIOJVHNOI-ZCFIWIBFSA-N 0 3 244.634 1.557 20 5 BDBDHN CC(COC(=O)C1CC(F)(F)C1)[N+](=O)[O-] ZINC000813111572 586593477 /nfs/dbraw/zinc/59/34/77/586593477.db2.gz VCKZTJFNDHHPIR-YFKPBYRVSA-N 0 3 223.175 1.240 20 5 BDBDHN CO[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813110750 586593487 /nfs/dbraw/zinc/59/34/87/586593487.db2.gz IRHYJXJEPRCQEZ-GMSGAONNSA-N 0 3 231.248 1.010 20 5 BDBDHN Cc1cc(C)nc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112550 586593903 /nfs/dbraw/zinc/59/39/03/586593903.db2.gz IDRZXCOVBVCVDU-SECBINFHSA-N 0 3 238.243 1.520 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813113860 586593911 /nfs/dbraw/zinc/59/39/11/586593911.db2.gz JYFNGOLPEVFMLX-IUCAKERBSA-N 0 3 231.248 1.154 20 5 BDBDHN Cc1sccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813113304 586593913 /nfs/dbraw/zinc/59/39/13/586593913.db2.gz PHMZQGQMZCQSRI-ZETCQYMHSA-N 0 3 243.284 1.807 20 5 BDBDHN CSCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112548 586593938 /nfs/dbraw/zinc/59/39/38/586593938.db2.gz IDNMWGUFNZXKOB-SSDOTTSWSA-N 0 3 235.305 1.584 20 5 BDBDHN CSCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112549 586593954 /nfs/dbraw/zinc/59/39/54/586593954.db2.gz IDNMWGUFNZXKOB-ZETCQYMHSA-N 0 3 235.305 1.584 20 5 BDBDHN COCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813113017 586594141 /nfs/dbraw/zinc/59/41/41/586594141.db2.gz NWPNPKFFXMWOJV-QMMMGPOBSA-N 0 3 219.237 1.012 20 5 BDBDHN CC(COC(=O)CCC(C)(F)F)[N+](=O)[O-] ZINC000813115439 586594346 /nfs/dbraw/zinc/59/43/46/586594346.db2.gz RZWDWIFFWZVQMX-LURJTMIESA-N 0 3 225.191 1.630 20 5 BDBDHN CC(COC(=O)c1ncoc1C1CC1)[N+](=O)[O-] ZINC000816091389 586707548 /nfs/dbraw/zinc/70/75/48/586707548.db2.gz VIDMMJYUWFCNDW-LURJTMIESA-N 0 3 240.215 1.374 20 5 BDBDHN CC(COC(=O)C[C@H](C)n1cccn1)[N+](=O)[O-] ZINC000821166442 587099308 /nfs/dbraw/zinc/09/93/08/587099308.db2.gz BXHUSTARUPBRFT-DTWKUNHWSA-N 0 3 241.247 1.043 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)[N+](=O)[O-] ZINC000845575063 588233591 /nfs/dbraw/zinc/23/35/91/588233591.db2.gz FTMBECBOHHVSJH-ZRUFSTJUSA-N 0 3 239.271 1.797 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)[N+](=O)[O-] ZINC000845575062 588233640 /nfs/dbraw/zinc/23/36/40/588233640.db2.gz FTMBECBOHHVSJH-CHWFTXMASA-N 0 3 239.271 1.797 20 5 BDBDHN CC(COC(=O)C1CC2(CC2(F)F)C1)[N+](=O)[O-] ZINC000851036782 588585812 /nfs/dbraw/zinc/58/58/12/588585812.db2.gz MZGPIZDCPRMIRI-SXJRXYEXSA-N 0 3 249.213 1.630 20 5 BDBDHN O=[N+]([O-])CCNCCc1cccc2[nH]ccc21 ZINC000905246917 637707851 /nfs/dbraw/zinc/70/78/51/637707851.db2.gz KDHROAXFKTZWLA-UHFFFAOYSA-N 0 3 233.271 1.577 20 5 BDBDHN C[C@@H](C[C@@H](O)c1ccccc1)NCC[N+](=O)[O-] ZINC000905362538 637788247 /nfs/dbraw/zinc/78/82/47/637788247.db2.gz UYFTXMIRSICIJX-CMPLNLGQSA-N 0 3 238.287 1.365 20 5 BDBDHN CO[C@H](CNCC[N+](=O)[O-])C1CCCCC1 ZINC000905379261 637793528 /nfs/dbraw/zinc/79/35/28/637793528.db2.gz BRUHFRFZCJSOIM-LLVKDONJSA-N 0 3 230.308 1.448 20 5 BDBDHN O=[N+]([O-])CCNCCc1nc2c(s1)CCC2 ZINC000905567663 637848976 /nfs/dbraw/zinc/84/89/76/637848976.db2.gz FUJNBKNQEKXGLV-UHFFFAOYSA-N 0 3 241.316 1.041 20 5 BDBDHN CO[C@@]1(C)CCCN(CC[N+](=O)[O-])CC1 ZINC000930286103 639681455 /nfs/dbraw/zinc/68/14/55/639681455.db2.gz NRFNALNCGSXVEI-JTQLQIEISA-N 0 3 216.281 1.154 20 5 BDBDHN CSC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000930557720 639811120 /nfs/dbraw/zinc/81/11/20/639811120.db2.gz CHFKZMFYVYTKMP-VIFPVBQESA-N 0 3 218.322 1.338 20 5 BDBDHN CCO[C@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930627430 639827961 /nfs/dbraw/zinc/82/79/61/639827961.db2.gz HLLKBGCSGGZCPF-ZJUUUORDSA-N 0 3 228.292 1.200 20 5 BDBDHN COCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000187613004 641716627 /nfs/dbraw/zinc/71/66/27/641716627.db2.gz PBXMEPZCSBYOEK-UHFFFAOYSA-N 0 3 244.678 1.984 20 5 BDBDHN CC[C@H](CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000083370119 643440239 /nfs/dbraw/zinc/44/02/39/643440239.db2.gz YWCNZVDYTBQJBG-SNVBAGLBSA-N 0 3 242.250 1.594 20 5 BDBDHN CCCO[C@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929603086 646195294 /nfs/dbraw/zinc/19/52/94/646195294.db2.gz BUHMIKCSRGXHSV-NSHDSACASA-N 0 3 230.308 1.544 20 5 BDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000847714028 712609224 /nfs/dbraw/zinc/60/92/24/712609224.db2.gz IMCHUOPOBJRDFY-LURJTMIESA-N 0 3 229.188 1.110 20 5 BDBDHN CN1CC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000712561992 712446003 /nfs/dbraw/zinc/44/60/03/712446003.db2.gz GOHNCICHDNVAKE-SECBINFHSA-N 0 3 241.316 1.450 20 5 BDBDHN C[C@H]1[C@@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000719575845 712811653 /nfs/dbraw/zinc/81/16/53/712811653.db2.gz QOUOXKRUYOKRTI-IUCAKERBSA-N 0 3 236.275 1.494 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169009673 969335358 /nfs/dbraw/zinc/33/53/58/969335358.db2.gz XCIULFPSKWZYKC-WRWGMCAJSA-N 0 3 242.319 1.541 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC[C@@H](F)C2)C1 ZINC001169010933 969339293 /nfs/dbraw/zinc/33/92/93/969339293.db2.gz GHSQPLIEQBPOJT-OPRDCNLKSA-N 0 3 216.256 1.476 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCCC23COC3)C1 ZINC001169034547 969351722 /nfs/dbraw/zinc/35/17/22/969351722.db2.gz HOPHASQEZLGERC-QWRGUYRKSA-N 0 3 240.303 1.297 20 5 BDBDHN C[C@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H](C)O1 ZINC001169038217 969358618 /nfs/dbraw/zinc/35/86/18/969358618.db2.gz XCIULFPSKWZYKC-NNYUYHANSA-N 0 3 242.319 1.541 20 5 BDBDHN Cc1ncc(Nc2ccc(N)c([N+](=O)[O-])c2)n1C ZINC001209934144 969696408 /nfs/dbraw/zinc/69/64/08/969696408.db2.gz JVKUGCJFXSBAFP-UHFFFAOYSA-N 0 3 247.258 1.963 20 5 BDBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226710140 975043007 /nfs/dbraw/zinc/04/30/07/975043007.db2.gz MUFDCWLTFZSSRL-JTQLQIEISA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1ccc(O[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001226951280 975181310 /nfs/dbraw/zinc/18/13/10/975181310.db2.gz WXMWQIYBVRQQTG-LLVKDONJSA-N 0 3 236.271 1.986 20 5 BDBDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC[N+](=O)[O-] ZINC001335222811 976889738 /nfs/dbraw/zinc/88/97/38/976889738.db2.gz SCWMLWKWMZLFDG-CMPLNLGQSA-N 0 3 238.287 1.017 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@@H]1Cc1ccccc1 ZINC001335989108 977410417 /nfs/dbraw/zinc/41/04/17/977410417.db2.gz ZUYSEIWZRXVRLE-RYUDHWBXSA-N 0 3 220.272 1.484 20 5 BDBDHN CCN1CC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233856741 978715524 /nfs/dbraw/zinc/71/55/24/978715524.db2.gz FNWGHCQCJDBTKP-SNVBAGLBSA-N 0 3 237.259 1.463 20 5 BDBDHN CO[C@@H](C)CN(CC[N+](=O)[O-])C(C)C ZINC001191099612 980968562 /nfs/dbraw/zinc/96/85/62/980968562.db2.gz OMVBLFFTGSBRAP-VIFPVBQESA-N 0 3 204.270 1.008 20 5 BDBDHN CO[C@H](C)CN(CC[N+](=O)[O-])C(C)C ZINC001191099606 980968867 /nfs/dbraw/zinc/96/88/67/980968867.db2.gz OMVBLFFTGSBRAP-SECBINFHSA-N 0 3 204.270 1.008 20 5 BDBDHN C/C(=C\c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714162 982868484 /nfs/dbraw/zinc/86/84/84/982868484.db2.gz LSYFBIUEIFOTMR-BNICOGTQSA-N 0 3 239.227 1.891 20 5 BDBDHN C/C(=C\c1ccco1)C(=O)OCC(C)[N+](=O)[O-] ZINC000847714164 982868987 /nfs/dbraw/zinc/86/89/87/982868987.db2.gz LSYFBIUEIFOTMR-ORZBULNSSA-N 0 3 239.227 1.891 20 5 BDBDHN O=[N+]([O-])c1ccccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000576570225 365627394 /nfs/dbraw/zinc/62/73/94/365627394.db2.gz KIXZKJTYDFLXQS-PHIMTYICSA-N 0 3 247.298 1.926 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNCC1(O)CCC1 ZINC000134517787 342862200 /nfs/dbraw/zinc/86/22/00/342862200.db2.gz FUQNBDVZSLVPFO-UHFFFAOYSA-N 0 3 236.271 1.599 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](O)C2)cc1 ZINC000061708270 398343661 /nfs/dbraw/zinc/34/36/61/398343661.db2.gz JKOWMDIPYUTDPO-LBPRGKRZSA-N 0 3 236.271 1.204 20 5 BDBDHN O=[N+]([O-])c1cccnc1NCCN1CCCC1 ZINC000048322189 343242283 /nfs/dbraw/zinc/24/22/83/343242283.db2.gz JIDCELUCUQIPCR-UHFFFAOYSA-N 0 3 236.275 1.498 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCC2(CO)CC2)c1 ZINC000118906996 343539271 /nfs/dbraw/zinc/53/92/71/343539271.db2.gz MWGAPPBNOAOTOP-UHFFFAOYSA-N 0 3 236.271 1.457 20 5 BDBDHN C[C@H](C[C@H](C)O)NCc1ccc([N+](=O)[O-])cc1 ZINC000136363797 346201015 /nfs/dbraw/zinc/20/10/15/346201015.db2.gz HLDZEFHESYKEKD-ZJUUUORDSA-N 0 3 238.287 1.844 20 5 BDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000590719033 347501054 /nfs/dbraw/zinc/50/10/54/347501054.db2.gz CGXSNKURJRSGBJ-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3CCCN3)no2)c1 ZINC000592356993 347772531 /nfs/dbraw/zinc/77/25/31/347772531.db2.gz PGRJFAOSJCFMOP-SSDOTTSWSA-N 0 3 249.230 1.397 20 5 BDBDHN CC12CC(C1)CN2CCn1ccc([N+](=O)[O-])n1 ZINC000595915151 348399849 /nfs/dbraw/zinc/39/98/49/348399849.db2.gz KOXJLAIZLLHDCW-UHFFFAOYSA-N 0 3 236.275 1.276 20 5 BDBDHN CC[C@@H](NC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595924000 348401747 /nfs/dbraw/zinc/40/17/47/348401747.db2.gz DONDEHOOCICNKN-SNVBAGLBSA-N 0 3 237.259 1.531 20 5 BDBDHN C[NH+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596052022 348432868 /nfs/dbraw/zinc/43/28/68/348432868.db2.gz YHHISCOOEIOUSB-UHFFFAOYSA-N 0 3 240.263 1.059 20 5 BDBDHN Cc1cc(NCCN(C)C)c([N+](=O)[O-])s1 ZINC000596055418 348434167 /nfs/dbraw/zinc/43/41/67/348434167.db2.gz JQEPOJGJHLWIJT-UHFFFAOYSA-N 0 3 229.305 1.938 20 5 BDBDHN Cc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])s1 ZINC000596179321 348455292 /nfs/dbraw/zinc/45/52/92/348455292.db2.gz OQUOEIQZLVSBIT-UHFFFAOYSA-N 0 3 241.316 1.715 20 5 BDBDHN Cc1c(CN[C@H](C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000231885607 351434922 /nfs/dbraw/zinc/43/49/22/351434922.db2.gz VEGBMRYUPRUHCW-ZJUUUORDSA-N 0 3 238.287 1.762 20 5 BDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)N(C)C ZINC000413054279 191351608 /nfs/dbraw/zinc/35/16/08/191351608.db2.gz PSCYANKEVLIEQU-ZETCQYMHSA-N 0 3 242.254 1.491 20 5 BDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)N(C)C ZINC000037985924 356456423 /nfs/dbraw/zinc/45/64/23/356456423.db2.gz PHMARNVJYHHEJB-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@H](CN(C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000168696404 134242866 /nfs/dbraw/zinc/24/28/66/134242866.db2.gz DVCWFSHUMPPQEE-SNVBAGLBSA-N 0 3 237.303 1.635 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC1 ZINC000610655395 358050214 /nfs/dbraw/zinc/05/02/14/358050214.db2.gz NJBHZKMVLAKFFF-UHFFFAOYSA-N 0 3 224.264 1.196 20 5 BDBDHN NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000083834048 181329362 /nfs/dbraw/zinc/32/93/62/181329362.db2.gz XNJKIZVCKNACPZ-UHFFFAOYSA-N 0 3 221.216 1.025 20 5 BDBDHN C[C@H](CN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000130625651 363789691 /nfs/dbraw/zinc/78/96/91/363789691.db2.gz GHSPWHGXTRDBMA-MRVPVSSYSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ccncc1[N+](=O)[O-] ZINC000130626308 363837913 /nfs/dbraw/zinc/83/79/13/363837913.db2.gz GAAQSAJPNVNWGF-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN CC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000124744495 370959022 /nfs/dbraw/zinc/95/90/22/370959022.db2.gz LQEFTGCHOPCJQF-NSHDSACASA-N 0 3 238.287 1.764 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603086701 371866821 /nfs/dbraw/zinc/86/68/21/371866821.db2.gz ICGJPWZTIPIUEF-AAEUAGOBSA-N 0 3 248.282 1.204 20 5 BDBDHN Cc1nn(CCN(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603321671 371883640 /nfs/dbraw/zinc/88/36/40/371883640.db2.gz SCNCXSUBLOPXFF-UHFFFAOYSA-N 0 3 249.274 1.210 20 5 BDBDHN C[C@@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000134983215 383961995 /nfs/dbraw/zinc/96/19/95/383961995.db2.gz RWCQPUZGJOLBTP-VHSXEESVSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000135310243 384434536 /nfs/dbraw/zinc/43/45/36/384434536.db2.gz NZFCKOXCSVUYPW-BXKDBHETSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@@H](CO)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135504319 385032342 /nfs/dbraw/zinc/03/23/42/385032342.db2.gz GHRIFHTYMWZIIM-JTQLQIEISA-N 0 3 238.287 1.450 20 5 BDBDHN CC(C)[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000086120658 385696013 /nfs/dbraw/zinc/69/60/13/385696013.db2.gz ADMWYFWLVZFLMK-VIFPVBQESA-N 0 3 244.316 1.763 20 5 BDBDHN CN(C)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000397966683 385731789 /nfs/dbraw/zinc/73/17/89/385731789.db2.gz KQJSKKJEWNUIDT-UHFFFAOYSA-N 0 3 249.314 1.779 20 5 BDBDHN COCCNCCNc1ccc([N+](=O)[O-])cc1 ZINC000215503944 386583211 /nfs/dbraw/zinc/58/32/11/386583211.db2.gz ANYQIXOHPVULKV-UHFFFAOYSA-N 0 3 239.275 1.243 20 5 BDBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CO)C2)cc1 ZINC000051886751 386566923 /nfs/dbraw/zinc/56/69/23/386566923.db2.gz QVLIVSXSRFNBPM-LLVKDONJSA-N 0 3 236.271 1.409 20 5 BDBDHN CC(C)[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000088445310 387157681 /nfs/dbraw/zinc/15/76/81/387157681.db2.gz DKSAQEWXKHRIQC-SNVBAGLBSA-N 0 3 237.259 1.517 20 5 BDBDHN C[C@@H](NCCC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000036746824 388258973 /nfs/dbraw/zinc/25/89/73/388258973.db2.gz GTQKLPXOFDVPNF-MRVPVSSYSA-N 0 3 237.259 1.121 20 5 BDBDHN Cc1cnc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000090692090 388472638 /nfs/dbraw/zinc/47/26/38/388472638.db2.gz QIHZOLGURCDXCN-VIFPVBQESA-N 0 3 238.291 1.660 20 5 BDBDHN Cc1c([C@@H](C)NC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000131174296 388840613 /nfs/dbraw/zinc/84/06/13/388840613.db2.gz IRCWUEQIKNSBLF-WCBMZHEXSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CCN[C@@H](C)C2)n1 ZINC000122836925 132227648 /nfs/dbraw/zinc/22/76/48/132227648.db2.gz MZVAGYFULLRVQP-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN C[C@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000034871774 132268799 /nfs/dbraw/zinc/26/87/99/132268799.db2.gz IBYRCGPBLYCJMO-IUCAKERBSA-N 0 3 236.275 1.176 20 5 BDBDHN CN1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000042544918 173153240 /nfs/dbraw/zinc/15/32/40/173153240.db2.gz UNRRJIPOJXDNMZ-NSHDSACASA-N 0 3 235.287 1.389 20 5 BDBDHN COc1ccc(CNCCCO)cc1[N+](=O)[O-] ZINC000035604983 175106690 /nfs/dbraw/zinc/10/66/90/175106690.db2.gz VNCGFBWZNZVHCI-UHFFFAOYSA-N 0 3 240.259 1.075 20 5 BDBDHN C[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282448222 176971184 /nfs/dbraw/zinc/97/11/84/176971184.db2.gz LQKFOZROQIELOZ-JTQLQIEISA-N 0 3 238.287 1.450 20 5 BDBDHN CC(COC(=O)[C@H](C)C(C)(C)C)[N+](=O)[O-] ZINC000813103114 586592057 /nfs/dbraw/zinc/59/20/57/586592057.db2.gz OBSSBTPPYOSMOV-YUMQZZPRSA-N 0 3 217.265 1.877 20 5 BDBDHN CSCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107144 582582113 /nfs/dbraw/zinc/58/21/13/582582113.db2.gz KQOQZYSOHUXQRW-MRVPVSSYSA-N 0 3 235.305 1.728 20 5 BDBDHN CC(COC(=O)[C@H]1CCCCS1)[N+](=O)[O-] ZINC000813106698 582582160 /nfs/dbraw/zinc/58/21/60/582582160.db2.gz GBWRAWHCIOHMIM-HTQZYQBOSA-N 0 3 233.289 1.481 20 5 BDBDHN CC(COC(=O)c1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813106843 582582691 /nfs/dbraw/zinc/58/26/91/582582691.db2.gz IPSZYEIIPIPIKH-SECBINFHSA-N 0 3 249.266 1.997 20 5 BDBDHN CC(COC(=O)c1occ2c1CCC2)[N+](=O)[O-] ZINC000813111689 582589045 /nfs/dbraw/zinc/58/90/45/582589045.db2.gz WCTQCUSQXUXDOM-SSDOTTSWSA-N 0 3 239.227 1.590 20 5 BDBDHN CCOC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813113950 582590899 /nfs/dbraw/zinc/59/08/99/582590899.db2.gz WWIWOPQGEQUPQT-VIFPVBQESA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)C[C@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893046414 583036915 /nfs/dbraw/zinc/03/69/15/583036915.db2.gz AYEMNVAYUSTPHC-BDAKNGLRSA-N 0 3 245.275 1.400 20 5 BDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000893940781 583254645 /nfs/dbraw/zinc/25/46/45/583254645.db2.gz QBFYRGOZOXSOBW-MFKMUULPSA-N 0 3 247.298 1.735 20 5 BDBDHN O=[N+]([O-])CCNCC1(c2ccc(F)cc2)CC1 ZINC000899871072 584244237 /nfs/dbraw/zinc/24/42/37/584244237.db2.gz NDFHQCFGYBSZGF-UHFFFAOYSA-N 0 3 238.262 1.724 20 5 BDBDHN O=[N+]([O-])CCN1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000899888040 584247267 /nfs/dbraw/zinc/24/72/67/584247267.db2.gz XYEJUVSQXCEDGP-GHMZBOCLSA-N 0 3 210.277 1.384 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)C2CC2)c1 ZINC000734163648 584959176 /nfs/dbraw/zinc/95/91/76/584959176.db2.gz DTMRTYRVRLATCY-GFCCVEGCSA-N 0 3 236.271 1.455 20 5 BDBDHN CC(COC(=O)[C@@H](C)C1CCC1)[N+](=O)[O-] ZINC000838965556 585082631 /nfs/dbraw/zinc/08/26/31/585082631.db2.gz SUWKARDQYVMTAD-YUMQZZPRSA-N 0 3 215.249 1.631 20 5 BDBDHN Cc1nsc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000797281970 586125059 /nfs/dbraw/zinc/12/50/59/586125059.db2.gz RTQQMCQWCNLERP-RXMQYKEDSA-N 0 3 244.272 1.582 20 5 BDBDHN Cc1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102017 586591895 /nfs/dbraw/zinc/59/18/95/586591895.db2.gz MVXZBASKTKLHPR-ZCFIWIBFSA-N 0 3 213.189 1.410 20 5 BDBDHN CC(COC(=O)[C@H]1CC=CCC1)[N+](=O)[O-] ZINC000813102852 586591973 /nfs/dbraw/zinc/59/19/73/586591973.db2.gz KGWDKUKLBVJRCJ-IUCAKERBSA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)c1ccsc1)[N+](=O)[O-] ZINC000813101457 586591983 /nfs/dbraw/zinc/59/19/83/586591983.db2.gz AQOOZBVVQZSISB-ZCFIWIBFSA-N 0 3 215.230 1.570 20 5 BDBDHN CC(C)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102491 586592016 /nfs/dbraw/zinc/59/20/16/586592016.db2.gz GFOZCMDGCHSMRP-JGVFFNPUSA-N 0 3 203.238 1.487 20 5 BDBDHN COCCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813102733 586592174 /nfs/dbraw/zinc/59/21/74/586592174.db2.gz UJAHIIQACRYOJA-VIFPVBQESA-N 0 3 245.275 1.402 20 5 BDBDHN CC(COC(=O)[C@@H]1CC=CCC1)[N+](=O)[O-] ZINC000813102853 586592182 /nfs/dbraw/zinc/59/21/82/586592182.db2.gz KGWDKUKLBVJRCJ-RKDXNWHRSA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)/C=C/c1cccnc1)[N+](=O)[O-] ZINC000813105175 586592330 /nfs/dbraw/zinc/59/23/30/586592330.db2.gz KCRRLXSAFVSEKS-XNPJLODASA-N 0 3 236.227 1.303 20 5 BDBDHN CC(C)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813103814 586592474 /nfs/dbraw/zinc/59/24/74/586592474.db2.gz UNAZEOPMSSCRAF-DTWKUNHWSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)/C=C/c1cccnc1)[N+](=O)[O-] ZINC000813105145 586592542 /nfs/dbraw/zinc/59/25/42/586592542.db2.gz KCRRLXSAFVSEKS-MOVJSRMASA-N 0 3 236.227 1.303 20 5 BDBDHN CSC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106825 586592681 /nfs/dbraw/zinc/59/26/81/586592681.db2.gz IJDKZJNKDPTTEP-RNFRBKRXSA-N 0 3 221.278 1.194 20 5 BDBDHN CC(COC(=O)[C@H](F)c1ccccc1)[N+](=O)[O-] ZINC000813105978 586592743 /nfs/dbraw/zinc/59/27/43/586592743.db2.gz WWRZMKSASYRTCB-WCBMZHEXSA-N 0 3 241.218 1.906 20 5 BDBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813107554 586592782 /nfs/dbraw/zinc/59/27/82/586592782.db2.gz SVFDTPJMBOXQFG-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN CC[C@H](C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115310 586593563 /nfs/dbraw/zinc/59/35/63/586593563.db2.gz OUDMHIGTULUVPP-SFYZADRCSA-N 0 3 219.237 1.010 20 5 BDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000813113881 586593836 /nfs/dbraw/zinc/59/38/36/586593836.db2.gz VRPMHISQHDQDQM-LURJTMIESA-N 0 3 242.231 1.367 20 5 BDBDHN CCOCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813112859 586593838 /nfs/dbraw/zinc/59/38/38/586593838.db2.gz UZBRWMQLSUPWPT-MRVPVSSYSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)C1C(C)(C)C1(C)C)[N+](=O)[O-] ZINC000813113606 586594004 /nfs/dbraw/zinc/59/40/04/586594004.db2.gz GZSHVUUKMPSWKS-SSDOTTSWSA-N 0 3 229.276 1.877 20 5 BDBDHN CC(COC(=O)[C@@H](C)c1ccco1)[N+](=O)[O-] ZINC000813113185 586594121 /nfs/dbraw/zinc/59/41/21/586594121.db2.gz BTUIDDNUTRLVEK-SFYZADRCSA-N 0 3 227.216 1.592 20 5 BDBDHN CC(COC(=O)[C@@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813115315 586594382 /nfs/dbraw/zinc/59/43/82/586594382.db2.gz OVQKIELFAPFMJY-HRDYMLBCSA-N 0 3 215.249 1.631 20 5 BDBDHN CCC[C@@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453310 587802904 /nfs/dbraw/zinc/80/29/04/587802904.db2.gz ADWDKJUWNISSCZ-HTQZYQBOSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)CC1CC(F)(F)C1)[N+](=O)[O-] ZINC000835455954 587803282 /nfs/dbraw/zinc/80/32/82/587803282.db2.gz RBXUXCJOSICIDO-LURJTMIESA-N 0 3 237.202 1.630 20 5 BDBDHN COCC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000842363273 588021306 /nfs/dbraw/zinc/02/13/06/588021306.db2.gz DUFYCVWJPGROOJ-MRVPVSSYSA-N 0 3 233.264 1.258 20 5 BDBDHN Cc1ccoc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000851035977 588585540 /nfs/dbraw/zinc/58/55/40/588585540.db2.gz CUURXBNKOFPMJB-QMMMGPOBSA-N 0 3 227.216 1.339 20 5 BDBDHN CC(COC(=O)[C@@H](C)Cc1ccco1)[N+](=O)[O-] ZINC000851037003 588586104 /nfs/dbraw/zinc/58/61/04/588586104.db2.gz PLJDMRBVCOIOIB-DTWKUNHWSA-N 0 3 241.243 1.667 20 5 BDBDHN CCC[C@H](OCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777896 589119416 /nfs/dbraw/zinc/11/94/16/589119416.db2.gz YQWFGPAHPLZCMR-BDAKNGLRSA-N 0 3 233.264 1.400 20 5 BDBDHN CCO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000860776956 589119476 /nfs/dbraw/zinc/11/94/76/589119476.db2.gz IJUCUPQXULJVLU-APPZFPTMSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C1CCC=CCC1)[N+](=O)[O-] ZINC000873532127 590054780 /nfs/dbraw/zinc/05/47/80/590054780.db2.gz AXTULFCIFFPZLD-VIFPVBQESA-N 0 3 227.260 1.941 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](CF)C2)n1 ZINC000880295871 590991147 /nfs/dbraw/zinc/99/11/47/590991147.db2.gz ZLQXQOXJUZMNIX-SECBINFHSA-N 0 3 242.254 1.083 20 5 BDBDHN CCCC[C@@H](COC)NCC[N+](=O)[O-] ZINC000905128633 637641996 /nfs/dbraw/zinc/64/19/96/637641996.db2.gz SUZYVMVQIXLZOF-VIFPVBQESA-N 0 3 204.270 1.058 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@H](c2ccccc2F)C1 ZINC000905244735 637705540 /nfs/dbraw/zinc/70/55/40/637705540.db2.gz RWAISAFCAFXUOE-MGCOHNPYSA-N 0 3 238.262 1.938 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])C(F)(F)F ZINC000905253232 637712079 /nfs/dbraw/zinc/71/20/79/637712079.db2.gz FMNUWMYZYJGEPL-UHFFFAOYSA-N 0 3 214.187 1.441 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCC2(CCC2)CO1 ZINC000905476897 637817360 /nfs/dbraw/zinc/81/73/60/637817360.db2.gz BARQAHYFBXUNKQ-JTQLQIEISA-N 0 3 228.292 1.202 20 5 BDBDHN COC[C@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000930675245 639858016 /nfs/dbraw/zinc/85/80/16/639858016.db2.gz GULRWFCGPOCADY-JTQLQIEISA-N 0 3 216.281 1.012 20 5 BDBDHN CC(C)OC(=O)C[C@@H](NCC[N+](=O)[O-])C(C)C ZINC000930890403 639973595 /nfs/dbraw/zinc/97/35/95/639973595.db2.gz PIEPOVJRSNTJIK-SNVBAGLBSA-N 0 3 246.307 1.219 20 5 BDBDHN Cc1nn(CCN2CCCC2)c(C)c1[N+](=O)[O-] ZINC000921163593 642581721 /nfs/dbraw/zinc/58/17/21/642581721.db2.gz VTWAQJXBYGTRFM-UHFFFAOYSA-N 0 3 238.291 1.504 20 5 BDBDHN CN(CC[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000929646336 646219637 /nfs/dbraw/zinc/21/96/37/646219637.db2.gz OAGIMLJFNZAWAN-ZDUSSCGKSA-N 0 3 234.299 1.752 20 5 BDBDHN CN1CC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000712588001 712434587 /nfs/dbraw/zinc/43/45/87/712434587.db2.gz VVEGUVUAIMXOSW-NSHDSACASA-N 0 3 235.287 1.389 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2nccs2)C1 ZINC001168958808 969310601 /nfs/dbraw/zinc/31/06/01/969310601.db2.gz PVWSRYORPRJXJR-IUCAKERBSA-N 0 3 241.316 1.678 20 5 BDBDHN CC(COC(=O)C1(CF)CCC1)[N+](=O)[O-] ZINC001345814178 957340302 /nfs/dbraw/zinc/34/03/02/957340302.db2.gz LFFUQQOMELMMFG-SSDOTTSWSA-N 0 3 219.212 1.335 20 5 BDBDHN O=[N+]([O-])c1cccc([O-])c1O[C@@H]1CCC[NH2+]C1 ZINC001218279398 959937683 /nfs/dbraw/zinc/93/76/83/959937683.db2.gz POUHSJOFMWVEFG-MRVPVSSYSA-N 0 3 238.243 1.431 20 5 BDBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225634367 962462063 /nfs/dbraw/zinc/46/20/63/962462063.db2.gz VZNUHKLDSKOOSV-JTQLQIEISA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1-n1nccc1CN ZINC001162593639 965067642 /nfs/dbraw/zinc/06/76/42/965067642.db2.gz NJAAUVUCOKUQHG-UHFFFAOYSA-N 0 3 232.243 1.548 20 5 BDBDHN CN1CCC(Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233855576 965598779 /nfs/dbraw/zinc/59/87/79/965598779.db2.gz UJJITRMVGJYMBG-UHFFFAOYSA-N 0 3 237.259 1.463 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cscn2)C1 ZINC001168956227 969305187 /nfs/dbraw/zinc/30/51/87/969305187.db2.gz AJNHZIQIGIDYFJ-RKDXNWHRSA-N 0 3 241.316 1.678 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCC23COC3)C1 ZINC001169034545 969353513 /nfs/dbraw/zinc/35/35/13/969353513.db2.gz HOPHASQEZLGERC-GHMZBOCLSA-N 0 3 240.303 1.297 20 5 BDBDHN C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042458 969359920 /nfs/dbraw/zinc/35/99/20/969359920.db2.gz DOSKTSLADQMSIV-USZNOCQGSA-N 0 3 242.319 1.541 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOC3(CC3)C2)C1 ZINC001169047630 969365827 /nfs/dbraw/zinc/36/58/27/969365827.db2.gz RVMDWPRTDRZLQW-GHMZBOCLSA-N 0 3 240.303 1.297 20 5 BDBDHN CC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538505 969738748 /nfs/dbraw/zinc/73/87/48/969738748.db2.gz WOTBANQSFHVFTP-SECBINFHSA-N 0 3 236.271 1.704 20 5 BDBDHN Nc1cnncc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210394207 969883906 /nfs/dbraw/zinc/88/39/06/969883906.db2.gz RQNZQNYNTRVLDV-UHFFFAOYSA-N 0 3 247.214 1.416 20 5 BDBDHN CN1CC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227987107 975835454 /nfs/dbraw/zinc/83/54/54/975835454.db2.gz FAKWFCDFTPQOIR-VIFPVBQESA-N 0 3 223.232 1.073 20 5 BDBDHN Cc1cccc2nc(CCNCC[N+](=O)[O-])cn21 ZINC001335520360 977116722 /nfs/dbraw/zinc/11/67/22/977116722.db2.gz TWGVXAMFEJHVOW-UHFFFAOYSA-N 0 3 248.286 1.052 20 5 BDBDHN CC(COC(=O)[C@H]1CCOC(C)(C)C1)[N+](=O)[O-] ZINC001343663804 980182147 /nfs/dbraw/zinc/18/21/47/980182147.db2.gz KVBBFXZZOXGNCD-BDAKNGLRSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)[C@@H](C)[C@H]1CCCO1)[N+](=O)[O-] ZINC001344806476 980471564 /nfs/dbraw/zinc/47/15/64/980471564.db2.gz DBFCTYBZXCCNML-HRDYMLBCSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C1(C)CC=CC1)[N+](=O)[O-] ZINC001518856340 989341915 /nfs/dbraw/zinc/34/19/15/989341915.db2.gz RYFRIVUPRZGYKP-QMMMGPOBSA-N 0 3 213.233 1.551 20 5 BDBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601977618 342808225 /nfs/dbraw/zinc/80/82/25/342808225.db2.gz VLYCWFZYUGHGTE-TXEJJXNPSA-N 0 3 248.282 1.673 20 5 BDBDHN C[C@H](O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000228085772 398322066 /nfs/dbraw/zinc/32/20/66/398322066.db2.gz QRVHNDFWQMVKSX-UWVGGRQHSA-N 0 3 238.287 1.844 20 5 BDBDHN CC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084199937 344102160 /nfs/dbraw/zinc/10/21/60/344102160.db2.gz KSZHWFQHNSUFJR-SECBINFHSA-N 0 3 223.232 1.271 20 5 BDBDHN CC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176271464 344394666 /nfs/dbraw/zinc/39/46/66/344394666.db2.gz DIUDNAIVEUXFPI-UHFFFAOYSA-N 0 3 238.291 1.523 20 5 BDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000612448840 344896988 /nfs/dbraw/zinc/89/69/88/344896988.db2.gz QGHGEFGUJOFFDM-UHFFFAOYSA-N 0 3 227.289 1.407 20 5 BDBDHN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)nc1 ZINC000144126086 345708089 /nfs/dbraw/zinc/70/80/89/345708089.db2.gz DSQHQZGKVMSXFQ-UHFFFAOYSA-N 0 3 248.286 1.274 20 5 BDBDHN C[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594492256 348062658 /nfs/dbraw/zinc/06/26/58/348062658.db2.gz FWUIJOMYHXGDFZ-LDYMZIIASA-N 0 3 236.271 1.553 20 5 BDBDHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595101985 348196138 /nfs/dbraw/zinc/19/61/38/348196138.db2.gz GWWVRBQFNHBBJX-HLUHBDAQSA-N 0 3 236.271 1.769 20 5 BDBDHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595101986 348196175 /nfs/dbraw/zinc/19/61/75/348196175.db2.gz GWWVRBQFNHBBJX-PEXQALLHSA-N 0 3 236.271 1.769 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCOCCF)c1 ZINC000596059109 348435531 /nfs/dbraw/zinc/43/55/31/348435531.db2.gz VAFROJFOWKFJCS-UHFFFAOYSA-N 0 3 242.250 1.671 20 5 BDBDHN C[NH2+]C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596175956 348462097 /nfs/dbraw/zinc/46/20/97/348462097.db2.gz XVBDLZWOYCBHTA-UHFFFAOYSA-N 0 3 240.263 1.105 20 5 BDBDHN Cc1nn(CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000194433356 180389819 /nfs/dbraw/zinc/38/98/19/180389819.db2.gz GJEFQXGCMULUHH-UHFFFAOYSA-N 0 3 238.291 1.586 20 5 BDBDHN Cc1c(CN[C@@H](C)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000231885605 351433985 /nfs/dbraw/zinc/43/39/85/351433985.db2.gz VEGBMRYUPRUHCW-UWVGGRQHSA-N 0 3 238.287 1.762 20 5 BDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cc1F)N(C)C ZINC000413054278 191351622 /nfs/dbraw/zinc/35/16/22/191351622.db2.gz PSCYANKEVLIEQU-SSDOTTSWSA-N 0 3 242.254 1.491 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413297885 191370178 /nfs/dbraw/zinc/37/01/78/191370178.db2.gz RYZSIFIWCQTDBZ-ZETCQYMHSA-N 0 3 242.254 1.491 20 5 BDBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CNC2)n1 ZINC000420253939 192187752 /nfs/dbraw/zinc/18/77/52/192187752.db2.gz FIGKECNCCUQELR-UHFFFAOYSA-N 0 3 236.275 1.015 20 5 BDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(C3CC3)C2)nc1 ZINC000044725698 358553129 /nfs/dbraw/zinc/55/31/29/358553129.db2.gz XGNZUXYPUDEJKG-MRVPVSSYSA-N 0 3 249.274 1.033 20 5 BDBDHN CC(C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037692363 364525667 /nfs/dbraw/zinc/52/56/67/364525667.db2.gz BNMTVCJJLMIYJA-UHFFFAOYSA-N 0 3 224.260 1.455 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNCC[C@H](C)O ZINC000574228305 365015346 /nfs/dbraw/zinc/01/53/46/365015346.db2.gz VREBDRAIPVXGGU-JTQLQIEISA-N 0 3 238.287 1.764 20 5 BDBDHN Cc1c(CN[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000131449437 371606359 /nfs/dbraw/zinc/60/63/59/371606359.db2.gz LFYIPVHRUVLVCN-LLVKDONJSA-N 0 3 236.271 1.782 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)C[C@@H]1C ZINC000602819597 371842915 /nfs/dbraw/zinc/84/29/15/371842915.db2.gz CVHCKFZXLCUUMX-DTORHVGOSA-N 0 3 238.291 1.582 20 5 BDBDHN CCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223765370 169392064 /nfs/dbraw/zinc/39/20/64/169392064.db2.gz NNTQLCJBRUUOGU-SNVBAGLBSA-N 0 3 237.259 1.661 20 5 BDBDHN CC[C@H](O)CCNCc1ccccc1[N+](=O)[O-] ZINC000127381066 383978492 /nfs/dbraw/zinc/97/84/92/383978492.db2.gz RNVNOWGPKKCYFX-NSHDSACASA-N 0 3 238.287 1.845 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOC2)cc1 ZINC000070069976 384227485 /nfs/dbraw/zinc/22/74/85/384227485.db2.gz QDSBDSGWOCMIKK-LLVKDONJSA-N 0 3 236.271 1.863 20 5 BDBDHN CC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084199941 384459042 /nfs/dbraw/zinc/45/90/42/384459042.db2.gz KSZHWFQHNSUFJR-VIFPVBQESA-N 0 3 223.232 1.271 20 5 BDBDHN CCN(C)CCNc1ncccc1[N+](=O)[O-] ZINC000049937517 384579734 /nfs/dbraw/zinc/57/97/34/384579734.db2.gz RMKSGDMACAWGTP-UHFFFAOYSA-N 0 3 224.264 1.353 20 5 BDBDHN C[C@@H](CO)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086622720 385028981 /nfs/dbraw/zinc/02/89/81/385028981.db2.gz YDLDIBHORHVSKL-NXEZZACHSA-N 0 3 238.287 1.874 20 5 BDBDHN CN(C)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000263987442 385189347 /nfs/dbraw/zinc/18/93/47/385189347.db2.gz FAEPGWLPYZFBNR-SECBINFHSA-N 0 3 236.275 1.130 20 5 BDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CC1 ZINC000088130467 386841101 /nfs/dbraw/zinc/84/11/01/386841101.db2.gz WSUSAHPSRGSUDD-UHFFFAOYSA-N 0 3 249.270 1.045 20 5 BDBDHN CCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000223765432 387247272 /nfs/dbraw/zinc/24/72/72/387247272.db2.gz NNTQLCJBRUUOGU-JTQLQIEISA-N 0 3 237.259 1.661 20 5 BDBDHN C[C@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000134180805 388394971 /nfs/dbraw/zinc/39/49/71/388394971.db2.gz YJBHGOXMACEMHL-BXKDBHETSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3CC[NH2+]C3)[n-]c2c1 ZINC000094772347 388754922 /nfs/dbraw/zinc/75/49/22/388754922.db2.gz FHKRZJIJGCWVHD-QMMMGPOBSA-N 0 3 248.242 1.212 20 5 BDBDHN Cc1ccc(CNCCCCO)cc1[N+](=O)[O-] ZINC000193283358 388844239 /nfs/dbraw/zinc/84/42/39/388844239.db2.gz YWFPOWCTEWPHGC-UHFFFAOYSA-N 0 3 238.287 1.765 20 5 BDBDHN Cc1c([C@H](C)NC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000131174487 388841576 /nfs/dbraw/zinc/84/15/76/388841576.db2.gz IRCWUEQIKNSBLF-WPRPVWTQSA-N 0 3 238.287 1.935 20 5 BDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN[C@H](C)C1 ZINC000052812140 132229500 /nfs/dbraw/zinc/22/95/00/132229500.db2.gz UGLZZTYOKPHCPH-SECBINFHSA-N 0 3 236.275 1.096 20 5 BDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000053711577 132363409 /nfs/dbraw/zinc/36/34/09/132363409.db2.gz QYZRCXAAGFLWQR-DTORHVGOSA-N 0 3 236.275 1.176 20 5 BDBDHN C[C@H](CN(C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000168602744 134231206 /nfs/dbraw/zinc/23/12/06/134231206.db2.gz DRJOPYDOZDSAOL-SNVBAGLBSA-N 0 3 237.303 1.635 20 5 BDBDHN CC[C@@](C)(CO)NCc1cccc([N+](=O)[O-])c1 ZINC000080108746 171171545 /nfs/dbraw/zinc/17/15/45/171171545.db2.gz COAHVBLOPMTLCJ-LBPRGKRZSA-N 0 3 238.287 1.845 20 5 BDBDHN CN1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000005689601 173019100 /nfs/dbraw/zinc/01/91/00/173019100.db2.gz YUUQXHINSCNVDK-UHFFFAOYSA-N 0 3 236.275 1.132 20 5 BDBDHN CN1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000221152459 173034150 /nfs/dbraw/zinc/03/41/50/173034150.db2.gz HEOBRAONRLGWHJ-CYBMUJFWSA-N 0 3 249.314 1.779 20 5 BDBDHN CN1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000049100029 173055282 /nfs/dbraw/zinc/05/52/82/173055282.db2.gz GRJBMPZVWWMFOG-VIFPVBQESA-N 0 3 236.275 1.496 20 5 BDBDHN CN1CC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000037647724 173146414 /nfs/dbraw/zinc/14/64/14/173146414.db2.gz ROGIRVSPWKTEPS-SECBINFHSA-N 0 3 236.275 1.353 20 5 BDBDHN COCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020085622 174338215 /nfs/dbraw/zinc/33/82/15/174338215.db2.gz FGSUVKKVNSWIDR-VIFPVBQESA-N 0 3 224.260 1.892 20 5 BDBDHN CC(COC(=O)C[C@@H](C)C1CC1)[N+](=O)[O-] ZINC000813108987 586593003 /nfs/dbraw/zinc/59/30/03/586593003.db2.gz DAVMISQDSVSGSG-HTQZYQBOSA-N 0 3 215.249 1.631 20 5 BDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC1(C)C ZINC000566863881 326089398 /nfs/dbraw/zinc/08/93/98/326089398.db2.gz KUYAZPLZEUPECV-VIFPVBQESA-N 0 3 238.291 1.607 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813108581 582585610 /nfs/dbraw/zinc/58/56/10/582585610.db2.gz ZYPSAMARKPHJJN-UWVGGRQHSA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000813112701 582590166 /nfs/dbraw/zinc/59/01/66/582590166.db2.gz TYDXGHPBFFKQPE-JARNTUPDSA-N 0 3 235.239 1.908 20 5 BDBDHN CC(COC(=O)c1cncc2[nH]ccc21)[N+](=O)[O-] ZINC000893045117 583036189 /nfs/dbraw/zinc/03/61/89/583036189.db2.gz PDQASQNCUMOJMH-ZETCQYMHSA-N 0 3 249.226 1.385 20 5 BDBDHN CC(COC(=O)C[C@@H]1C[C@H]1C1CC1)[N+](=O)[O-] ZINC000893044449 583036383 /nfs/dbraw/zinc/03/63/83/583036383.db2.gz IUAXANOXEQIMBV-HGNGGELXSA-N 0 3 227.260 1.631 20 5 BDBDHN CCNCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000856776991 588877452 /nfs/dbraw/zinc/87/74/52/588877452.db2.gz NHEBUUZAYXPFKO-UHFFFAOYSA-N 0 3 249.270 1.093 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccccc1 ZINC000899869669 584244900 /nfs/dbraw/zinc/24/49/00/584244900.db2.gz IJJXKOKYBJQPGJ-UHFFFAOYSA-N 0 3 222.288 1.831 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1C[C@H]1c1ccccc1 ZINC000899874114 584245258 /nfs/dbraw/zinc/24/52/58/584245258.db2.gz ZAZAMGJBEKSPOQ-QWRGUYRKSA-N 0 3 206.245 1.409 20 5 BDBDHN O=[N+]([O-])CCNCCc1ccnc2ccccc12 ZINC000899891947 584248626 /nfs/dbraw/zinc/24/86/26/584248626.db2.gz NIJQCZVDUNGGMZ-UHFFFAOYSA-N 0 3 245.282 1.644 20 5 BDBDHN CCNCc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901398421 584438965 /nfs/dbraw/zinc/43/89/65/584438965.db2.gz AXYPNBBKRCTEIT-UHFFFAOYSA-N 0 3 237.215 1.952 20 5 BDBDHN C[C@@H]1CCCC[C@@H]1N(C)CC[N+](=O)[O-] ZINC000798198025 586140446 /nfs/dbraw/zinc/14/04/46/586140446.db2.gz XYECIZFGEBOKAT-ZJUUUORDSA-N 0 3 200.282 1.774 20 5 BDBDHN CC[C@H](C)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102642 586591897 /nfs/dbraw/zinc/59/18/97/586591897.db2.gz HVYUGQLNSPBRCO-YIZRAAEISA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)c1ccnc(Cl)c1)[N+](=O)[O-] ZINC000813103510 586592111 /nfs/dbraw/zinc/59/21/11/586592111.db2.gz CIUJZQRZGZLMKK-LURJTMIESA-N 0 3 244.634 1.557 20 5 BDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCCCC1 ZINC000813102333 586592136 /nfs/dbraw/zinc/59/21/36/586592136.db2.gz DTYCKTXNCMAART-VIFPVBQESA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)CCc1ccccn1)[N+](=O)[O-] ZINC000813105246 586592288 /nfs/dbraw/zinc/59/22/88/586592288.db2.gz LBAXYDZNCFWZQB-SECBINFHSA-N 0 3 238.243 1.223 20 5 BDBDHN CCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105556 586592476 /nfs/dbraw/zinc/59/24/76/586592476.db2.gz OLXAOUICHWWNFA-JGVFFNPUSA-N 0 3 203.238 1.631 20 5 BDBDHN CCC/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000813106256 586592731 /nfs/dbraw/zinc/59/27/31/586592731.db2.gz BNZOSUOXISUSLA-BNICOGTQSA-N 0 3 215.249 1.941 20 5 BDBDHN CC(COC(=O)c1ccoc1Cl)[N+](=O)[O-] ZINC000813106624 586592945 /nfs/dbraw/zinc/59/29/45/586592945.db2.gz FKFBFNMQUQHCRZ-RXMQYKEDSA-N 0 3 233.607 1.755 20 5 BDBDHN CC(COC(=O)COC1(C)CCC1)[N+](=O)[O-] ZINC000813108692 586593047 /nfs/dbraw/zinc/59/30/47/586593047.db2.gz KDPGTJSZWHNEKZ-QMMMGPOBSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)C[C@H](C)C1CC1)[N+](=O)[O-] ZINC000813108988 586593051 /nfs/dbraw/zinc/59/30/51/586593051.db2.gz DAVMISQDSVSGSG-JGVFFNPUSA-N 0 3 215.249 1.631 20 5 BDBDHN CCn1nc(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110135 586593237 /nfs/dbraw/zinc/59/32/37/586593237.db2.gz SWAKTOHOCZJAFM-MRVPVSSYSA-N 0 3 241.247 1.033 20 5 BDBDHN CC(COC(=O)/C=C\c1cccs1)[N+](=O)[O-] ZINC000813110901 586593659 /nfs/dbraw/zinc/59/36/59/586593659.db2.gz LRBMCLLGAXHYGM-LGYSABEFSA-N 0 3 241.268 1.970 20 5 BDBDHN CC(COC(=O)c1ccccc1F)[N+](=O)[O-] ZINC000813112942 586594172 /nfs/dbraw/zinc/59/41/72/586594172.db2.gz MJXSRMKFDZQAQJ-SSDOTTSWSA-N 0 3 227.191 1.648 20 5 BDBDHN CC(C)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114964 586594210 /nfs/dbraw/zinc/59/42/10/586594210.db2.gz YURLTCXXZHNIDB-MRVPVSSYSA-N 0 3 241.247 1.286 20 5 BDBDHN CO[C@@H]1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000816090991 586707418 /nfs/dbraw/zinc/70/74/18/586707418.db2.gz GVRQWZVIQWIRPC-LPEHRKFASA-N 0 3 245.275 1.400 20 5 BDBDHN CO[C@@H]1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000816091126 586707596 /nfs/dbraw/zinc/70/75/96/586707596.db2.gz LTRNICGXNIKSBT-IVZWLZJFSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)[C@@]1(C)CC1(F)F)[N+](=O)[O-] ZINC000817738861 586823412 /nfs/dbraw/zinc/82/34/12/586823412.db2.gz DCINCSWEJXVJHZ-IYSWYEEDSA-N 0 3 223.175 1.240 20 5 BDBDHN Cc1c(F)cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000817739819 586823424 /nfs/dbraw/zinc/82/34/24/586823424.db2.gz PBHAGYCMVBDSRM-SSDOTTSWSA-N 0 3 241.218 1.956 20 5 BDBDHN CC(COC(=O)[C@]1(C)CC1(F)F)[N+](=O)[O-] ZINC000817738862 586823777 /nfs/dbraw/zinc/82/37/77/586823777.db2.gz DCINCSWEJXVJHZ-VDTYLAMSSA-N 0 3 223.175 1.240 20 5 BDBDHN CC(COC(=O)CCC(C)(C)[N+](=O)[O-])[N+](=O)[O-] ZINC000835453399 587802788 /nfs/dbraw/zinc/80/27/88/587802788.db2.gz BUWBJZSDMNDHRS-SSDOTTSWSA-N 0 3 248.235 1.030 20 5 BDBDHN CC(COC(=O)C(C)(C)C(C)(F)F)[N+](=O)[O-] ZINC000835455032 587803095 /nfs/dbraw/zinc/80/30/95/587803095.db2.gz MATUGEMZZHTRCZ-ZCFIWIBFSA-N 0 3 239.218 1.876 20 5 BDBDHN CC(COC(=O)c1cncc(Cl)c1)[N+](=O)[O-] ZINC000835457062 587803313 /nfs/dbraw/zinc/80/33/13/587803313.db2.gz WKRDHOASXVVFMN-LURJTMIESA-N 0 3 244.634 1.557 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1C1CCC1)[N+](=O)[O-] ZINC000845577269 588233835 /nfs/dbraw/zinc/23/38/35/588233835.db2.gz RTPIQLJGOJQYJX-FKTZTGRPSA-N 0 3 227.260 1.631 20 5 BDBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000851037577 588585863 /nfs/dbraw/zinc/58/58/63/588585863.db2.gz WZZVPTNCSVZMPI-SCZZXKLOSA-N 0 3 245.275 1.400 20 5 BDBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000851037576 588585892 /nfs/dbraw/zinc/58/58/92/588585892.db2.gz WZZVPTNCSVZMPI-PSASIEDQSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)C[C@@H](C)c1ccco1)[N+](=O)[O-] ZINC000860777123 589119508 /nfs/dbraw/zinc/11/95/08/589119508.db2.gz KMOPRPBYSCLTRN-RKDXNWHRSA-N 0 3 241.243 1.982 20 5 BDBDHN CCc1nocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777860 589119533 /nfs/dbraw/zinc/11/95/33/589119533.db2.gz XMVZYXXLZNASAS-ZCFIWIBFSA-N 0 3 228.204 1.059 20 5 BDBDHN Cc1cnc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870377302 589661360 /nfs/dbraw/zinc/66/13/60/589661360.db2.gz PVBCZDIDFAEFDQ-SSDOTTSWSA-N 0 3 242.206 1.351 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H](C)O[C@@H]1C)[N+](=O)[O-] ZINC000870378326 589661678 /nfs/dbraw/zinc/66/16/78/589661678.db2.gz VPEXUCJAKAFNDC-BGZDPUMWSA-N 0 3 231.248 1.008 20 5 BDBDHN C[S@@](=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000124188254 589959208 /nfs/dbraw/zinc/95/92/08/589959208.db2.gz OFYXVROCBQFHOC-INIZCTEOSA-N 0 3 242.300 1.063 20 5 BDBDHN CC(COC(=O)C1CCC=CCC1)[N+](=O)[O-] ZINC000873532126 590054837 /nfs/dbraw/zinc/05/48/37/590054837.db2.gz AXTULFCIFFPZLD-SECBINFHSA-N 0 3 227.260 1.941 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2CC=C[C@H]2CO)cc1 ZINC000880486945 591064882 /nfs/dbraw/zinc/06/48/82/591064882.db2.gz RJQZWCBQUKHAAY-ZDUSSCGKSA-N 0 3 248.282 1.370 20 5 BDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886344851 592213008 /nfs/dbraw/zinc/21/30/08/592213008.db2.gz MTUJMSVQVPQTIW-NTZNESFSSA-N 0 3 248.282 1.580 20 5 BDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886344849 592213024 /nfs/dbraw/zinc/21/30/24/592213024.db2.gz MTUJMSVQVPQTIW-LOWVWBTDSA-N 0 3 248.282 1.580 20 5 BDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178857016 635746490 /nfs/dbraw/zinc/74/64/90/635746490.db2.gz FUEAXNVRWZHIBU-LBPRGKRZSA-N 0 3 236.271 1.722 20 5 BDBDHN Cc1ccc(CCNCC[N+](=O)[O-])c(C)c1 ZINC000905059874 637591950 /nfs/dbraw/zinc/59/19/50/637591950.db2.gz JEIQSHMCPKHLQV-UHFFFAOYSA-N 0 3 222.288 1.712 20 5 BDBDHN O=[N+]([O-])CCNCCCOc1ccc(F)cc1 ZINC000905072049 637604272 /nfs/dbraw/zinc/60/42/72/637604272.db2.gz QAOAQJXITJCPIR-UHFFFAOYSA-N 0 3 242.250 1.461 20 5 BDBDHN CSc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905243209 637703136 /nfs/dbraw/zinc/70/31/36/637703136.db2.gz HKRUKOOMIUBYCC-UHFFFAOYSA-N 0 3 240.328 1.817 20 5 BDBDHN CC1(C)CC[C@H](CNCC[N+](=O)[O-])OC1 ZINC000905419277 637804481 /nfs/dbraw/zinc/80/44/81/637804481.db2.gz UUWIEQIEVATBLE-SECBINFHSA-N 0 3 216.281 1.058 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCCC2(CCC2)O1 ZINC000905587663 637856016 /nfs/dbraw/zinc/85/60/16/637856016.db2.gz RAOAAIAFYRVAAS-SNVBAGLBSA-N 0 3 228.292 1.345 20 5 BDBDHN O=[N+]([O-])CCN1CCSC2(CCC2)CC1 ZINC000930710395 639872411 /nfs/dbraw/zinc/87/24/11/639872411.db2.gz CJLWRCBQVPWEQN-UHFFFAOYSA-N 0 3 230.333 1.625 20 5 BDBDHN C[C@H]1CSCCCN1CC[N+](=O)[O-] ZINC000934294290 641118573 /nfs/dbraw/zinc/11/85/73/641118573.db2.gz GQVJECFAEIJVTE-QMMMGPOBSA-N 0 3 204.295 1.091 20 5 BDBDHN CCC1(C)CCN(CC[N+](=O)[O-])CC1 ZINC000929462078 646128720 /nfs/dbraw/zinc/12/87/20/646128720.db2.gz PCGKXGJSBYHKRP-UHFFFAOYSA-N 0 3 200.282 1.775 20 5 BDBDHN CC[C@@H](CSC)N(C)CC[N+](=O)[O-] ZINC000930179394 646481996 /nfs/dbraw/zinc/48/19/96/646481996.db2.gz KGTBWOMLGBPZOJ-QMMMGPOBSA-N 0 3 206.311 1.337 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169012181 969339969 /nfs/dbraw/zinc/33/99/69/969339969.db2.gz OOWUZUBXDQQHMA-GMTAPVOTSA-N 0 3 228.292 1.153 20 5 BDBDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC[N+](=O)[O-] ZINC001334722965 976602313 /nfs/dbraw/zinc/60/23/13/976602313.db2.gz GHJFZVFHRORWCU-QWRGUYRKSA-N 0 3 230.308 1.446 20 5 BDBDHN CCn1cccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001343653764 980180046 /nfs/dbraw/zinc/18/00/46/980180046.db2.gz XECYAFACLPFBPT-QMMMGPOBSA-N 0 3 226.232 1.330 20 5 BDBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])cc1C ZINC001156038909 963231278 /nfs/dbraw/zinc/23/12/78/963231278.db2.gz ZFTLIIVBSRFMEL-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN Cc1cccc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001162301727 964917221 /nfs/dbraw/zinc/91/72/21/964917221.db2.gz BXKKLYQAWILAGI-UHFFFAOYSA-N 0 3 232.243 1.548 20 5 BDBDHN Cc1cnccc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203561476 966692939 /nfs/dbraw/zinc/69/29/39/966692939.db2.gz XWWJVIJJDVBXTA-UHFFFAOYSA-N 0 3 230.227 1.859 20 5 BDBDHN Cc1ncc(Nc2ccc([N+](=O)[O-])nc2)n1C ZINC001203569383 966696133 /nfs/dbraw/zinc/69/61/33/966696133.db2.gz BMVZVXSMNCVIIF-UHFFFAOYSA-N 0 3 233.231 1.775 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC[C@H](F)C2)C1 ZINC001169036658 969357918 /nfs/dbraw/zinc/35/79/18/969357918.db2.gz PKHSMTMEKVCVOP-GARJFASQSA-N 0 3 230.283 1.866 20 5 BDBDHN C[C@@H](N)c1ccn(-c2ncccc2[N+](=O)[O-])n1 ZINC001169230776 969505279 /nfs/dbraw/zinc/50/52/79/969505279.db2.gz CFSAOLOLUHPIMT-SSDOTTSWSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C)C2)c1 ZINC001225679224 974640933 /nfs/dbraw/zinc/64/09/33/974640933.db2.gz QMFVOCAQPIHMFN-SNVBAGLBSA-N 0 3 236.271 1.986 20 5 BDBDHN C[C@H](C[NH+](C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333571 974862356 /nfs/dbraw/zinc/86/23/56/974862356.db2.gz MILVCKHPXSMFGB-MRVPVSSYSA-N 0 3 240.259 1.629 20 5 BDBDHN Cc1cc(NC(=O)[C@@H](C)N)cc([N+](=O)[O-])c1 ZINC001342242703 979728495 /nfs/dbraw/zinc/72/84/95/979728495.db2.gz AVDAXAVOLHEQSD-SSDOTTSWSA-N 0 3 223.232 1.189 20 5 BDBDHN Cc1cc(NC(=O)CNC2CC2)cc([N+](=O)[O-])c1 ZINC001342902781 979934928 /nfs/dbraw/zinc/93/49/28/979934928.db2.gz YXVLGGXSHPOYLQ-UHFFFAOYSA-N 0 3 249.270 1.594 20 5 BDBDHN CC(COC(=O)[C@@H](C)[C@@H]1CCCO1)[N+](=O)[O-] ZINC001344806475 980471162 /nfs/dbraw/zinc/47/11/62/980471162.db2.gz DBFCTYBZXCCNML-CIUDSAMLSA-N 0 3 231.248 1.010 20 5 BDBDHN Cc1cc(N2CCN[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC001579623988 984297425 /nfs/dbraw/zinc/29/74/25/984297425.db2.gz PFAPHSWHSHJLEC-PWSUYJOCSA-N 0 3 233.271 1.454 20 5 BDBDHN C[C@H]1COC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000688049050 985531237 /nfs/dbraw/zinc/53/12/37/985531237.db2.gz PFLOLAOFWISSIG-ONGXEEELSA-N 0 3 236.271 1.719 20 5 BDBDHN CC[C@H](N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001263329718 993232370 /nfs/dbraw/zinc/23/23/70/993232370.db2.gz NYVKWEHIWOTXRS-JTQLQIEISA-N 0 3 237.259 1.579 20 5 BDBDHN CC[C@H](N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926581 342855665 /nfs/dbraw/zinc/85/56/65/342855665.db2.gz FLLLOSOMGXDDFU-JTQLQIEISA-N 0 3 247.258 1.585 20 5 BDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)CN1 ZINC000033555468 398310485 /nfs/dbraw/zinc/31/04/85/398310485.db2.gz RQVGDKNVMVATFC-BDAKNGLRSA-N 0 3 236.275 1.176 20 5 BDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC1(C)C ZINC000489414752 398311957 /nfs/dbraw/zinc/31/19/57/398311957.db2.gz OUSSXEKDKCUURH-VIFPVBQESA-N 0 3 238.291 1.522 20 5 BDBDHN CN(C)CCN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601124515 344377463 /nfs/dbraw/zinc/37/74/63/344377463.db2.gz QCZJWYQMNSIMAW-UHFFFAOYSA-N 0 3 242.254 1.127 20 5 BDBDHN CC12CC(C1)CN2CCn1cc([N+](=O)[O-])cn1 ZINC000595915004 348399682 /nfs/dbraw/zinc/39/96/82/348399682.db2.gz HJCZENREYUJGLE-UHFFFAOYSA-N 0 3 236.275 1.276 20 5 BDBDHN CC[C@H](NC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595923999 348401888 /nfs/dbraw/zinc/40/18/88/348401888.db2.gz DONDEHOOCICNKN-JTQLQIEISA-N 0 3 237.259 1.531 20 5 BDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1CN(C)C1 ZINC000597203467 348676809 /nfs/dbraw/zinc/67/68/09/348676809.db2.gz RDUZCHNOGPFJOD-UHFFFAOYSA-N 0 3 249.314 1.588 20 5 BDBDHN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000292093434 350840630 /nfs/dbraw/zinc/84/06/30/350840630.db2.gz FRVYYDSPZKTHPG-SNVBAGLBSA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@@H](CO)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000086622735 352428245 /nfs/dbraw/zinc/42/82/45/352428245.db2.gz UGQXHMAUIUYENZ-NXEZZACHSA-N 0 3 238.287 1.874 20 5 BDBDHN CN(CCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000034416287 355890962 /nfs/dbraw/zinc/89/09/62/355890962.db2.gz CVESQFKIYSLKGH-UHFFFAOYSA-N 0 3 224.260 1.409 20 5 BDBDHN Cc1c(NC(=O)[C@@H](C)N)cccc1[N+](=O)[O-] ZINC000035222881 356418545 /nfs/dbraw/zinc/41/85/45/356418545.db2.gz MKJHIDMYRHXNNI-SSDOTTSWSA-N 0 3 223.232 1.189 20 5 BDBDHN COC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000230689365 357549799 /nfs/dbraw/zinc/54/97/99/357549799.db2.gz PNTDLQUQOSWTST-UHFFFAOYSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766519 364599695 /nfs/dbraw/zinc/59/96/95/364599695.db2.gz XWEQJADSMKZYHX-YUMQZZPRSA-N 0 3 237.259 1.119 20 5 BDBDHN CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965729 371859607 /nfs/dbraw/zinc/85/96/07/371859607.db2.gz MSFARAVMJBBIGF-NSHDSACASA-N 0 3 224.260 1.412 20 5 BDBDHN CN1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000040672424 373588728 /nfs/dbraw/zinc/58/87/28/373588728.db2.gz WLMVQZWGKLIMLR-GFCCVEGCSA-N 0 3 249.314 1.779 20 5 BDBDHN CCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522110 169079284 /nfs/dbraw/zinc/07/92/84/169079284.db2.gz YCFIZIHIUJLCEV-UHFFFAOYSA-N 0 3 239.275 1.098 20 5 BDBDHN CN(C)CCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000111144357 383834359 /nfs/dbraw/zinc/83/43/59/383834359.db2.gz HYKAZSNNDGKPQQ-UHFFFAOYSA-N 0 3 241.266 1.732 20 5 BDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCOC2)cc1 ZINC000070069977 384228612 /nfs/dbraw/zinc/22/86/12/384228612.db2.gz QDSBDSGWOCMIKK-NSHDSACASA-N 0 3 236.271 1.863 20 5 BDBDHN C[C@@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000135310305 384687602 /nfs/dbraw/zinc/68/76/02/384687602.db2.gz NZFCKOXCSVUYPW-CABZTGNLSA-N 0 3 236.271 1.862 20 5 BDBDHN Cc1cnc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000085426788 385176935 /nfs/dbraw/zinc/17/69/35/385176935.db2.gz QTFOHEHOJHVKSP-UHFFFAOYSA-N 0 3 224.264 1.272 20 5 BDBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000130595106 385265173 /nfs/dbraw/zinc/26/51/73/385265173.db2.gz YIJVEACGOFDCPX-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@H](CO)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000086624242 386081176 /nfs/dbraw/zinc/08/11/76/386081176.db2.gz IQVDQVZOUDOEIE-UWVGGRQHSA-N 0 3 238.287 1.874 20 5 BDBDHN CCN(CCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000268025947 386772180 /nfs/dbraw/zinc/77/21/80/386772180.db2.gz SUNIMOKOBPQDDQ-SNVBAGLBSA-N 0 3 238.287 1.970 20 5 BDBDHN C[C@@H](O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000227961826 388375674 /nfs/dbraw/zinc/37/56/74/388375674.db2.gz LVEPTFSSBFMTAI-SNVBAGLBSA-N 0 3 238.287 1.845 20 5 BDBDHN CC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000422119041 388683840 /nfs/dbraw/zinc/68/38/40/388683840.db2.gz JCZOBLKJNQBBDR-GFCCVEGCSA-N 0 3 238.287 1.764 20 5 BDBDHN CCN(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161538308 388659249 /nfs/dbraw/zinc/65/92/49/388659249.db2.gz SWFFWHDANPBKNR-UHFFFAOYSA-N 0 3 238.291 1.662 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC[C@H]1O ZINC000424194586 388694871 /nfs/dbraw/zinc/69/48/71/388694871.db2.gz BNFSPNNBHVMEIH-KJGKVODESA-N 0 3 248.282 1.721 20 5 BDBDHN Cc1ccc([C@H](C)NCCO)cc1[N+](=O)[O-] ZINC000020596872 388778710 /nfs/dbraw/zinc/77/87/10/388778710.db2.gz WFVDPJUNDCOECE-VIFPVBQESA-N 0 3 224.260 1.546 20 5 BDBDHN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000261561118 135202005 /nfs/dbraw/zinc/20/20/05/135202005.db2.gz VDRAJOVVKLNBPZ-MRVPVSSYSA-N 0 3 239.250 1.532 20 5 BDBDHN CO[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000167055619 410568613 /nfs/dbraw/zinc/56/86/13/410568613.db2.gz SBKDLGWQKMNGSS-VIFPVBQESA-N 0 3 224.260 1.719 20 5 BDBDHN CO[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000167055733 410569596 /nfs/dbraw/zinc/56/95/96/410569596.db2.gz SBKDLGWQKMNGSS-SECBINFHSA-N 0 3 224.260 1.719 20 5 BDBDHN CC[C@@](C)(CO)NCc1csc([N+](=O)[O-])c1 ZINC000070710444 171170956 /nfs/dbraw/zinc/17/09/56/171170956.db2.gz NKWOAZRJUZJDKN-JTQLQIEISA-N 0 3 244.316 1.907 20 5 BDBDHN CC[C@H](C)[C@H](C)NCc1c([N+](=O)[O-])ncn1C ZINC000330802740 171389760 /nfs/dbraw/zinc/38/97/60/171389760.db2.gz BADYGGMKWRONSH-IUCAKERBSA-N 0 3 240.307 1.853 20 5 BDBDHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000049099866 173034217 /nfs/dbraw/zinc/03/42/17/173034217.db2.gz BGYGZRRYUJVGMD-SECBINFHSA-N 0 3 236.275 1.496 20 5 BDBDHN CN1CCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000221152516 173057264 /nfs/dbraw/zinc/05/72/64/173057264.db2.gz HEOBRAONRLGWHJ-ZDUSSCGKSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@@H]1CN(C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000358014220 176274225 /nfs/dbraw/zinc/27/42/25/176274225.db2.gz KFIQJDUNZNBFRE-MFKMUULPSA-N 0 3 249.314 1.635 20 5 BDBDHN C[C@@H]1CN(C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000357994431 176276707 /nfs/dbraw/zinc/27/67/07/176276707.db2.gz MXAOSDZOTDJREW-ZYHUDNBSSA-N 0 3 249.314 1.635 20 5 BDBDHN C/C=C(\CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112781 586594123 /nfs/dbraw/zinc/59/41/23/586594123.db2.gz LDSSXNSTKMRJSE-PUSOHNNWSA-N 0 3 201.222 1.551 20 5 BDBDHN CN(C)CCSCCn1ccc([N+](=O)[O-])n1 ZINC000157862299 326298271 /nfs/dbraw/zinc/29/82/71/326298271.db2.gz AYOUTSUSASBRJC-UHFFFAOYSA-N 0 3 244.320 1.086 20 5 BDBDHN CCN(C)CCNCc1csc([N+](=O)[O-])c1 ZINC000051634376 488022519 /nfs/dbraw/zinc/02/25/19/488022519.db2.gz OUBPTAMELKTQPY-UHFFFAOYSA-N 0 3 243.332 1.698 20 5 BDBDHN C[C@H](O)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000051821904 488049458 /nfs/dbraw/zinc/04/94/58/488049458.db2.gz NQFGRJWEOIODJT-VIFPVBQESA-N 0 3 224.260 1.407 20 5 BDBDHN C[C@H](O)CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051822058 488049158 /nfs/dbraw/zinc/04/91/58/488049158.db2.gz AQROBZNMFWEHDM-JTQLQIEISA-N 0 3 238.287 1.450 20 5 BDBDHN COc1cccc(N2CCNCC2)c1[N+](=O)[O-] ZINC000134794890 537125803 /nfs/dbraw/zinc/12/58/03/537125803.db2.gz FUVFYXYBEURJAQ-UHFFFAOYSA-N 0 3 237.259 1.013 20 5 BDBDHN Cc1cnc(F)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893046926 583037997 /nfs/dbraw/zinc/03/79/97/583037997.db2.gz HTQQIRZACROVDA-SSDOTTSWSA-N 0 3 242.206 1.351 20 5 BDBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000853825358 588765004 /nfs/dbraw/zinc/76/50/04/588765004.db2.gz LBCWKNRPAFWODB-UHFFFAOYSA-N 0 3 235.287 1.593 20 5 BDBDHN CC(COC(=O)CCc1ccco1)[N+](=O)[O-] ZINC000813103030 582580139 /nfs/dbraw/zinc/58/01/39/582580139.db2.gz YMGDAMBXPVPYBX-QMMMGPOBSA-N 0 3 227.216 1.421 20 5 BDBDHN CCC[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102020 582580272 /nfs/dbraw/zinc/58/02/72/582580272.db2.gz NCQFERMMEZQUDG-DJLDLDEBSA-N 0 3 215.249 1.631 20 5 BDBDHN CCC(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107728 582584418 /nfs/dbraw/zinc/58/44/18/582584418.db2.gz VDFBUQWEXUKFLZ-SSDOTTSWSA-N 0 3 203.238 1.631 20 5 BDBDHN CCO[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112202 582589492 /nfs/dbraw/zinc/58/94/92/582589492.db2.gz DIWKLUHVICGWOJ-HTQZYQBOSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)[N+](=O)[O-] ZINC000851035913 582941726 /nfs/dbraw/zinc/94/17/26/582941726.db2.gz AAZBYDRWNREBOY-KYXWUPHJSA-N 0 3 227.260 1.631 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COCO2)cc1 ZINC000894872081 583540428 /nfs/dbraw/zinc/54/04/28/583540428.db2.gz XODNGRQBQGXAKX-NSHDSACASA-N 0 3 238.243 1.057 20 5 BDBDHN O=[N+]([O-])CCNCCCc1ccccc1 ZINC000899860597 584242638 /nfs/dbraw/zinc/24/26/38/584242638.db2.gz SEXLMNMBIFVAHM-UHFFFAOYSA-N 0 3 208.261 1.486 20 5 BDBDHN Cc1cnc(CCNCC[N+](=O)[O-])c(C)c1 ZINC000899890654 584245983 /nfs/dbraw/zinc/24/59/83/584245983.db2.gz GGTRRKMSCUWGCM-UHFFFAOYSA-N 0 3 223.276 1.107 20 5 BDBDHN CC(COC(=O)/C=C/C1CCCC1)[N+](=O)[O-] ZINC000842801545 585046337 /nfs/dbraw/zinc/04/63/37/585046337.db2.gz KLZJAGLMEPKRND-UCUJLANTSA-N 0 3 227.260 1.941 20 5 BDBDHN CCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579905 585701103 /nfs/dbraw/zinc/70/11/03/585701103.db2.gz PLBIXTGVKIQIRW-LBPRGKRZSA-N 0 3 238.287 1.970 20 5 BDBDHN CCc1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813099776 586591731 /nfs/dbraw/zinc/59/17/31/586591731.db2.gz CMWYMPWJKCZQII-SSDOTTSWSA-N 0 3 227.216 1.664 20 5 BDBDHN CCc1ocnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102281 586592109 /nfs/dbraw/zinc/59/21/09/586592109.db2.gz DCGUVLIZGOPMPL-ZCFIWIBFSA-N 0 3 228.204 1.059 20 5 BDBDHN CC(=O)CC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102075 586592234 /nfs/dbraw/zinc/59/22/34/586592234.db2.gz ANJQPIVPMZWHEX-QMMMGPOBSA-N 0 3 245.275 1.590 20 5 BDBDHN CC(COC(=O)C[C@H]1C=CCCC1)[N+](=O)[O-] ZINC000813104758 586592334 /nfs/dbraw/zinc/59/23/34/586592334.db2.gz GVEXDJBUETUHTP-UWVGGRQHSA-N 0 3 227.260 1.941 20 5 BDBDHN CC(COC(=O)CSC(C)(C)C)[N+](=O)[O-] ZINC000813103674 586592462 /nfs/dbraw/zinc/59/24/62/586592462.db2.gz DUQANFYSOMZEOT-SSDOTTSWSA-N 0 3 235.305 1.727 20 5 BDBDHN CCN1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104202 586592472 /nfs/dbraw/zinc/59/24/72/586592472.db2.gz YABOUQXGMRJTIB-UWVGGRQHSA-N 0 3 244.291 1.069 20 5 BDBDHN CCCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813107347 586592677 /nfs/dbraw/zinc/59/26/77/586592677.db2.gz PJLIDJXGCMQXCO-QMMMGPOBSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)CCc1ccccc1)[N+](=O)[O-] ZINC000813107449 586592800 /nfs/dbraw/zinc/59/28/00/586592800.db2.gz QPKPABZTEXHUHW-SNVBAGLBSA-N 0 3 237.255 1.828 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])n1C ZINC000813106424 586592947 /nfs/dbraw/zinc/59/29/47/586592947.db2.gz BYDTZYWMBMJXJH-QMMMGPOBSA-N 0 3 226.232 1.156 20 5 BDBDHN CCCc1cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]1 ZINC000813106731 586592990 /nfs/dbraw/zinc/59/29/90/586592990.db2.gz GILIILIOSLZPMM-ZETCQYMHSA-N 0 3 241.247 1.184 20 5 BDBDHN CCc1oc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813108869 586593033 /nfs/dbraw/zinc/59/30/33/586593033.db2.gz BKOGVVHMLBLGOJ-MRVPVSSYSA-N 0 3 241.243 1.972 20 5 BDBDHN CC(COC(=O)C[C@@H]1CCCOC1)[N+](=O)[O-] ZINC000813109745 586593213 /nfs/dbraw/zinc/59/32/13/586593213.db2.gz VXRJCBRVONCOCH-BDAKNGLRSA-N 0 3 231.248 1.012 20 5 BDBDHN CC[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813112010 586593511 /nfs/dbraw/zinc/59/35/11/586593511.db2.gz BSUWGWMYGNXJAZ-IVZWLZJFSA-N 0 3 245.275 1.400 20 5 BDBDHN CC[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC000813112016 586593561 /nfs/dbraw/zinc/59/35/61/586593561.db2.gz BSUWGWMYGNXJAZ-OPRDCNLKSA-N 0 3 245.275 1.400 20 5 BDBDHN CS[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813111080 586593605 /nfs/dbraw/zinc/59/36/05/586593605.db2.gz CATMOXGSDLEWGB-NKWVEPMBSA-N 0 3 221.278 1.336 20 5 BDBDHN CC(COC(=O)CC[C@@H]1CC[C@@H](C)O1)[N+](=O)[O-] ZINC000813111436 586593613 /nfs/dbraw/zinc/59/36/13/586593613.db2.gz HFMUPOKUEJONEC-AEJSXWLSSA-N 0 3 245.275 1.543 20 5 BDBDHN CC(COC(=O)C1(F)CCCCC1)[N+](=O)[O-] ZINC000813111884 586593706 /nfs/dbraw/zinc/59/37/06/586593706.db2.gz BCFUKTPQCDZZFO-MRVPVSSYSA-N 0 3 233.239 1.867 20 5 BDBDHN CC(COC(=O)/C=C\C1CCOCC1)[N+](=O)[O-] ZINC000813113127 586594002 /nfs/dbraw/zinc/59/40/02/586594002.db2.gz BKBFHXXTRVQCKW-XADBCAIWSA-N 0 3 243.259 1.178 20 5 BDBDHN CC(COC(=O)/C=C\C1CCOCC1)[N+](=O)[O-] ZINC000813113126 586594016 /nfs/dbraw/zinc/59/40/16/586594016.db2.gz BKBFHXXTRVQCKW-PKRMOACSSA-N 0 3 243.259 1.178 20 5 BDBDHN CC(COC(=O)[C@H](C)c1ccco1)[N+](=O)[O-] ZINC000813113184 586594179 /nfs/dbraw/zinc/59/41/79/586594179.db2.gz BTUIDDNUTRLVEK-JGVFFNPUSA-N 0 3 227.216 1.592 20 5 BDBDHN CC(COC(=O)C=C1CCCC1)[N+](=O)[O-] ZINC000813114827 586594265 /nfs/dbraw/zinc/59/42/65/586594265.db2.gz WTTHRTYQBZQILE-MRVPVSSYSA-N 0 3 213.233 1.695 20 5 BDBDHN CC(COC(=O)c1ccc(Cl)o1)[N+](=O)[O-] ZINC000813115783 586594377 /nfs/dbraw/zinc/59/43/77/586594377.db2.gz ZNKJZYCWUMMRBN-RXMQYKEDSA-N 0 3 233.607 1.755 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000835453790 587802748 /nfs/dbraw/zinc/80/27/48/587802748.db2.gz GOMFRJZPMJEOBI-SECBINFHSA-N 0 3 238.243 1.141 20 5 BDBDHN CC(COC(=O)C1=CC[C@@H](C)CC1)[N+](=O)[O-] ZINC000835454625 587803059 /nfs/dbraw/zinc/80/30/59/587803059.db2.gz LENSILJWXIWAKF-RKDXNWHRSA-N 0 3 227.260 1.941 20 5 BDBDHN CCCn1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000851035776 588585558 /nfs/dbraw/zinc/58/55/58/588585558.db2.gz ASDVYHMTVIYXOI-MRVPVSSYSA-N 0 3 241.247 1.115 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1OC(C)(C)C)[N+](=O)[O-] ZINC000851037412 588585969 /nfs/dbraw/zinc/58/59/69/588585969.db2.gz VCAVEMQWGJKMHI-DJLDLDEBSA-N 0 3 245.275 1.398 20 5 BDBDHN C[C@@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000124268922 592717406 /nfs/dbraw/zinc/71/74/06/592717406.db2.gz KBUDXHKFAFOACR-MRVPVSSYSA-N 0 3 247.258 1.254 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H]2CO)cc1 ZINC000934024324 631599157 /nfs/dbraw/zinc/59/91/57/631599157.db2.gz PWQSDFKHUJZDCM-GFCCVEGCSA-N 0 3 236.271 1.204 20 5 BDBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CC2)cs1 ZINC000309484178 632418369 /nfs/dbraw/zinc/41/83/69/632418369.db2.gz FPGIHFMACGQRBC-SECBINFHSA-N 0 3 242.300 1.517 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1CCCN(c2ccccc2)C1 ZINC000905120518 637627046 /nfs/dbraw/zinc/62/70/46/637627046.db2.gz CMXHPAWFZXXFRI-GFCCVEGCSA-N 0 3 249.314 1.522 20 5 BDBDHN Cc1nc(CCNCC[N+](=O)[O-])sc1C ZINC000905164140 637676406 /nfs/dbraw/zinc/67/64/06/637676406.db2.gz FPBZAYKTOROMDZ-UHFFFAOYSA-N 0 3 229.305 1.169 20 5 BDBDHN O=[N+]([O-])CCNCC1(Cc2ccccc2)CC1 ZINC000905177792 637684993 /nfs/dbraw/zinc/68/49/93/637684993.db2.gz QSOJNMOXZBRCFE-UHFFFAOYSA-N 0 3 234.299 1.876 20 5 BDBDHN COCC[C@@H](Cc1ccco1)NCC[N+](=O)[O-] ZINC000905204607 637695533 /nfs/dbraw/zinc/69/55/33/637695533.db2.gz QIOXAPNWZRXZOS-JTQLQIEISA-N 0 3 242.275 1.094 20 5 BDBDHN C[C@@]1(CNCC[N+](=O)[O-])CC1(Cl)Cl ZINC000905271884 637730124 /nfs/dbraw/zinc/73/01/24/637730124.db2.gz DZNWQKLRLSZXCL-LURJTMIESA-N 0 3 227.091 1.437 20 5 BDBDHN O=[N+]([O-])CCNC[C@H]1CCCCC1(F)F ZINC000905273424 637731374 /nfs/dbraw/zinc/73/13/74/637731374.db2.gz MWLKKMVTWQPCAT-MRVPVSSYSA-N 0 3 222.235 1.678 20 5 BDBDHN CO[C@@H](CNCC[N+](=O)[O-])C1CCCC1 ZINC000905382833 637784572 /nfs/dbraw/zinc/78/45/72/637784572.db2.gz RMKQICQQAKELTL-JTQLQIEISA-N 0 3 216.281 1.058 20 5 BDBDHN COc1ccc(F)cc1CCNCC[N+](=O)[O-] ZINC000905478771 637818678 /nfs/dbraw/zinc/81/86/78/637818678.db2.gz MTHZQOUNFUIUOZ-UHFFFAOYSA-N 0 3 242.250 1.243 20 5 BDBDHN O=[N+]([O-])CCNCCCOc1cccc(F)c1 ZINC000905707348 637890659 /nfs/dbraw/zinc/89/06/59/637890659.db2.gz YZWIGKXGOBXARQ-UHFFFAOYSA-N 0 3 242.250 1.461 20 5 BDBDHN O=[N+]([O-])CCN1CCCC2(CCCC2)C1 ZINC000930252435 639661112 /nfs/dbraw/zinc/66/11/12/639661112.db2.gz WEXBQXYNOZMTLJ-UHFFFAOYSA-N 0 3 212.293 1.919 20 5 BDBDHN C[C@@]12CCN(CC[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000930539207 639806089 /nfs/dbraw/zinc/80/60/89/639806089.db2.gz HRVQFUDHFORVSK-JGVFFNPUSA-N 0 3 220.219 1.240 20 5 BDBDHN CC(COC(=O)CCc1ccoc1)[N+](=O)[O-] ZINC000813115382 643414683 /nfs/dbraw/zinc/41/46/83/643414683.db2.gz QNPSJYFDDMVDCJ-MRVPVSSYSA-N 0 3 227.216 1.421 20 5 BDBDHN COC(=O)CC1(NCC[N+](=O)[O-])CCCCC1 ZINC000930028153 646401086 /nfs/dbraw/zinc/40/10/86/646401086.db2.gz JUXCGEQNEWLXTM-UHFFFAOYSA-N 0 3 244.291 1.119 20 5 BDBDHN CCN1CC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000712532367 712441487 /nfs/dbraw/zinc/44/14/87/712441487.db2.gz ATSUMXLOQMSMSU-GFCCVEGCSA-N 0 3 249.314 1.779 20 5 BDBDHN C=Cc1c[n-]c(=O)nc1O[C@H](C)C[N+](C)(C)C ZINC001227718127 975646961 /nfs/dbraw/zinc/64/69/61/975646961.db2.gz PBTMUEYGPBUUEV-SECBINFHSA-O 0 3 238.311 1.299 20 5 BDBDHN Cc1cc(CN)nn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968226 969322351 /nfs/dbraw/zinc/32/23/51/969322351.db2.gz XOMBVGYOPXKZAW-KOLCDFICSA-N 0 3 238.291 1.268 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CO1 ZINC001169042456 969360715 /nfs/dbraw/zinc/36/07/15/969360715.db2.gz DOSKTSLADQMSIV-IRCOFANPSA-N 0 3 242.319 1.541 20 5 BDBDHN CN1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226710763 975042020 /nfs/dbraw/zinc/04/20/20/975042020.db2.gz UWOVDTXEYFHJPS-UHFFFAOYSA-N 0 3 237.259 1.463 20 5 BDBDHN Cc1cc(O[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC001226840086 975115475 /nfs/dbraw/zinc/11/54/75/975115475.db2.gz CCEDFXGBDVFLIN-LLVKDONJSA-N 0 3 236.271 1.986 20 5 BDBDHN CS[C@@H]1CC[C@H](N(C)CC[N+](=O)[O-])C1 ZINC001333832381 976110415 /nfs/dbraw/zinc/11/04/15/976110415.db2.gz GIXFVQASLRNLMC-DTWKUNHWSA-N 0 3 218.322 1.479 20 5 BDBDHN CC(COC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[N+](=O)[O-] ZINC001346123897 980760443 /nfs/dbraw/zinc/76/04/43/980760443.db2.gz PQUSCYVHPNFVBR-VFZPANTDSA-N 0 3 239.271 1.487 20 5 BDBDHN CC(COC(=O)CCC1(C)CC1)[N+](=O)[O-] ZINC001515228968 989005434 /nfs/dbraw/zinc/00/54/34/989005434.db2.gz FADLAAXEVRSLGA-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)[C@@]1(C)C=CCC1)[N+](=O)[O-] ZINC001518855862 989342538 /nfs/dbraw/zinc/34/25/38/989342538.db2.gz RHMJRPGESMFQMY-SCZZXKLOSA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)[C@]1(C)C=CCC1)[N+](=O)[O-] ZINC001518855857 989343456 /nfs/dbraw/zinc/34/34/56/989343456.db2.gz RHMJRPGESMFQMY-PSASIEDQSA-N 0 3 213.233 1.551 20 5 BDBDHN Cc1cc(CCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC001525758926 990066903 /nfs/dbraw/zinc/06/69/03/990066903.db2.gz DJSSPALQWRRYEG-SSDOTTSWSA-N 0 3 242.231 1.124 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC[C@@H](F)C1)[N+](=O)[O-] ZINC001263478272 993329605 /nfs/dbraw/zinc/32/96/05/993329605.db2.gz SDDGLVXJQBNYRY-IWSPIJDZSA-N 0 3 233.239 1.723 20 5 BDBDHN CN1CC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134584992 342871132 /nfs/dbraw/zinc/87/11/32/342871132.db2.gz NPNCKEKAGPRCAY-VIFPVBQESA-N 0 3 236.275 1.353 20 5 BDBDHN C[C@@H](O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000228085761 398321911 /nfs/dbraw/zinc/32/19/11/398321911.db2.gz QRVHNDFWQMVKSX-VHSXEESVSA-N 0 3 238.287 1.844 20 5 BDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000134847709 342901983 /nfs/dbraw/zinc/90/19/83/342901983.db2.gz UDZDPAUWUOUACT-UHFFFAOYSA-N 0 3 238.287 1.798 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)CO ZINC000349290928 136337006 /nfs/dbraw/zinc/33/70/06/136337006.db2.gz YSOKSONKGSUJEP-JTQLQIEISA-N 0 3 238.287 1.716 20 5 BDBDHN C[C@@H](CNCc1csc([N+](=O)[O-])c1)N(C)C ZINC000038087515 343942216 /nfs/dbraw/zinc/94/22/16/343942216.db2.gz PZVHSGQDKLHJOY-QMMMGPOBSA-N 0 3 243.332 1.696 20 5 BDBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000038088053 343942477 /nfs/dbraw/zinc/94/24/77/343942477.db2.gz OWCFEJOSWZDZNU-JTQLQIEISA-N 0 3 237.303 1.635 20 5 BDBDHN CC(C)(N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000070117714 345413564 /nfs/dbraw/zinc/41/35/64/345413564.db2.gz CURGPINZLADPAL-UHFFFAOYSA-N 0 3 247.258 1.369 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@@H](CO)C1 ZINC000601139797 346343397 /nfs/dbraw/zinc/34/33/97/346343397.db2.gz KUNIYMLDBBPRCT-JGZJWPJOSA-N 0 3 236.271 1.455 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1N(C)CCN(C)C ZINC000267098475 179206336 /nfs/dbraw/zinc/20/63/36/179206336.db2.gz WCIDVCILGPMRJX-UHFFFAOYSA-N 0 3 237.303 1.901 20 5 BDBDHN CC1(C)CN(c2sccc2[N+](=O)[O-])CCN1 ZINC000591444538 347662815 /nfs/dbraw/zinc/66/28/15/347662815.db2.gz MBYLMFJJPYWMHR-UHFFFAOYSA-N 0 3 241.316 1.845 20 5 BDBDHN C[C@H](N[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595101330 348195074 /nfs/dbraw/zinc/19/50/74/348195074.db2.gz DJWIBYWHJNJKNF-PEXQALLHSA-N 0 3 236.271 1.769 20 5 BDBDHN C[C@H](O)C1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000597235577 348701157 /nfs/dbraw/zinc/70/11/57/348701157.db2.gz ZZVBIMOTLODCDD-VIFPVBQESA-N 0 3 236.271 1.598 20 5 BDBDHN O=[N+]([O-])c1cc(CNCC2COC2)cs1 ZINC000599012703 349076309 /nfs/dbraw/zinc/07/63/09/349076309.db2.gz VENLVPOBLCOCIA-UHFFFAOYSA-N 0 3 228.273 1.392 20 5 BDBDHN CC[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H](C)O ZINC000386754144 363038398 /nfs/dbraw/zinc/03/83/98/363038398.db2.gz HDDLCANKWWOCQT-APPZFPTMSA-N 0 3 244.316 1.905 20 5 BDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1C[C@@H](O)C1 ZINC000449746257 202018646 /nfs/dbraw/zinc/01/86/46/202018646.db2.gz FMBCUOSSPFMXOZ-BFJGBIGKSA-N 0 3 248.282 1.721 20 5 BDBDHN CN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000053297335 356201415 /nfs/dbraw/zinc/20/14/15/356201415.db2.gz HSPDZBBWBANINA-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN Cc1ccc(NC(=O)[C@H]2CCN2)cc1[N+](=O)[O-] ZINC000384800089 356753308 /nfs/dbraw/zinc/75/33/08/356753308.db2.gz SFPNUFNKVNBYCZ-SECBINFHSA-N 0 3 235.243 1.204 20 5 BDBDHN C[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000035601431 358002501 /nfs/dbraw/zinc/00/25/01/358002501.db2.gz UHDFAXSDAMNOAE-IUCAKERBSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035602132 358002546 /nfs/dbraw/zinc/00/25/46/358002546.db2.gz UNUYPZPPVKSWTB-RKDXNWHRSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000130595324 358633330 /nfs/dbraw/zinc/63/33/30/358633330.db2.gz YIJVEACGOFDCPX-MRVPVSSYSA-N 0 3 224.264 1.352 20 5 BDBDHN C[C@@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)N(C)C ZINC000436195420 201314618 /nfs/dbraw/zinc/31/46/18/201314618.db2.gz RSCJOUQCQWMOEM-QMMMGPOBSA-N 0 3 238.291 1.619 20 5 BDBDHN O=[N+]([O-])c1cc(CNC2CCOCC2)cs1 ZINC000037472370 364053904 /nfs/dbraw/zinc/05/39/04/364053904.db2.gz HDOUVLGEBOXQPS-UHFFFAOYSA-N 0 3 242.300 1.925 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCCO)cc1 ZINC000020188466 371241396 /nfs/dbraw/zinc/24/13/96/371241396.db2.gz PCTSLTAYHXDRDZ-UHFFFAOYSA-N 0 3 210.233 1.067 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C ZINC000602780154 371838579 /nfs/dbraw/zinc/83/85/79/371838579.db2.gz FJPCWAHDPDCZNS-SECBINFHSA-N 0 3 238.291 1.584 20 5 BDBDHN CCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332705337 169208557 /nfs/dbraw/zinc/20/85/57/169208557.db2.gz WVVLCUGUHOVYRG-UHFFFAOYSA-N 0 3 221.260 1.758 20 5 BDBDHN C[C@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000096811329 383939866 /nfs/dbraw/zinc/93/98/66/383939866.db2.gz NOJHKZZTOPFTRE-SSDOTTSWSA-N 0 3 230.289 1.517 20 5 BDBDHN CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000293913151 384065125 /nfs/dbraw/zinc/06/51/25/384065125.db2.gz OPTFZQXMRIPEHP-LLVKDONJSA-N 0 3 238.287 1.798 20 5 BDBDHN CN(C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000135721853 384303446 /nfs/dbraw/zinc/30/34/46/384303446.db2.gz QYFXJLOEYJKOOR-UHFFFAOYSA-N 0 3 227.239 1.707 20 5 BDBDHN O=[N+]([O-])c1ccc(CCNCc2ncc[nH]2)cc1 ZINC000049715659 384562531 /nfs/dbraw/zinc/56/25/31/384562531.db2.gz YDRYHXFRILOHDF-UHFFFAOYSA-N 0 3 246.270 1.650 20 5 BDBDHN C[C@@H](CO)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000125730010 384747342 /nfs/dbraw/zinc/74/73/42/384747342.db2.gz NJTQPKVRSSLTTK-JGVFFNPUSA-N 0 3 244.316 1.763 20 5 BDBDHN C[C@@H]1OCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000147765360 384856944 /nfs/dbraw/zinc/85/69/44/384856944.db2.gz CQBQEXWLWQKIDL-ONGXEEELSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@@H](CO)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000086622715 386092198 /nfs/dbraw/zinc/09/21/98/386092198.db2.gz YDLDIBHORHVSKL-ZJUUUORDSA-N 0 3 238.287 1.874 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCC[C@@H]2O)c1 ZINC000052926366 386371089 /nfs/dbraw/zinc/37/10/89/386371089.db2.gz RWPRAYQJJGDINS-NEPJUHHUSA-N 0 3 236.271 1.598 20 5 BDBDHN C[C@@H](O)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000228067780 386582367 /nfs/dbraw/zinc/58/23/67/386582367.db2.gz JKGOCBMPQIOHMM-VHSXEESVSA-N 0 3 238.287 1.844 20 5 BDBDHN C[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608924 386820661 /nfs/dbraw/zinc/82/06/61/386820661.db2.gz DQFUQXMCIMVINP-HTQZYQBOSA-N 0 3 239.275 1.208 20 5 BDBDHN C[C@H](NCCN1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000358344707 386933739 /nfs/dbraw/zinc/93/37/39/386933739.db2.gz XNKBIWRMDVWJGZ-NSHDSACASA-N 0 3 249.314 1.951 20 5 BDBDHN CN(C)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192450209 387367847 /nfs/dbraw/zinc/36/78/47/387367847.db2.gz YHAZVLSKDHADHA-ZETCQYMHSA-N 0 3 242.304 1.192 20 5 BDBDHN Cc1c([C@H](C)N[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268874529 387543538 /nfs/dbraw/zinc/54/35/38/387543538.db2.gz WEWBULMKKJWJOG-SCZZXKLOSA-N 0 3 238.287 1.935 20 5 BDBDHN CC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029651 388084875 /nfs/dbraw/zinc/08/48/75/388084875.db2.gz RGYUCAHUZXHRLD-VIFPVBQESA-N 0 3 237.259 1.579 20 5 BDBDHN C[C@@H]1CN[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000086471327 388102573 /nfs/dbraw/zinc/10/25/73/388102573.db2.gz RQVGDKNVMVATFC-DTWKUNHWSA-N 0 3 236.275 1.176 20 5 BDBDHN C[C@H]1C[C@H](C)N1CCn1cc([N+](=O)[O-])cn1 ZINC000548424526 388359303 /nfs/dbraw/zinc/35/93/03/388359303.db2.gz QRRCGLYSPTUMNG-IUCAKERBSA-N 0 3 224.264 1.274 20 5 BDBDHN C[C@H](C[C@H](C)O)NCc1csc([N+](=O)[O-])c1 ZINC000164604430 388394636 /nfs/dbraw/zinc/39/46/36/388394636.db2.gz YBJJJBUQSIQQGF-SFYZADRCSA-N 0 3 244.316 1.905 20 5 BDBDHN C[C@@H](O)C(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000161152208 388667626 /nfs/dbraw/zinc/66/76/26/388667626.db2.gz AXYSXLZEOXONCL-SECBINFHSA-N 0 3 238.287 1.844 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)CNCC21CC1 ZINC000091368609 388627293 /nfs/dbraw/zinc/62/72/93/388627293.db2.gz PYMKGCGDRBMJOA-UHFFFAOYSA-N 0 3 204.229 1.730 20 5 BDBDHN NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423725680 388694408 /nfs/dbraw/zinc/69/44/08/388694408.db2.gz OJICPCUSRBXARN-UHFFFAOYSA-N 0 3 249.270 1.045 20 5 BDBDHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000424316568 388695944 /nfs/dbraw/zinc/69/59/44/388695944.db2.gz NDMYXFAXRRECOQ-GGZOMVNGSA-N 0 3 236.271 1.769 20 5 BDBDHN C[C@H](CO)CNCc1csc([N+](=O)[O-])c1 ZINC000082285477 388724206 /nfs/dbraw/zinc/72/42/06/388724206.db2.gz XWDOCDKASSAUAD-ZETCQYMHSA-N 0 3 230.289 1.374 20 5 BDBDHN C[C@@H](NC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284254542 388828488 /nfs/dbraw/zinc/82/84/88/388828488.db2.gz VWAOGOIYHYAGBO-SSDOTTSWSA-N 0 3 221.260 1.990 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2CCCCCC2)c1 ZINC000157304794 388833836 /nfs/dbraw/zinc/83/38/36/388833836.db2.gz KUMJLLIORWQOCV-UHFFFAOYSA-N 0 3 238.291 1.667 20 5 BDBDHN Cc1cccc(N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000235369809 132395654 /nfs/dbraw/zinc/39/56/54/132395654.db2.gz LBFUYPNEMXYITE-SNVBAGLBSA-N 0 3 235.287 1.701 20 5 BDBDHN Cc1nc(N2CCNC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262082846 135278083 /nfs/dbraw/zinc/27/80/83/135278083.db2.gz XSRPZUQVVJQWGG-QMMMGPOBSA-N 0 3 236.275 1.096 20 5 BDBDHN COc1ccc(CN[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000035604588 175109457 /nfs/dbraw/zinc/10/94/57/175109457.db2.gz SHLOYVNYKWCFIE-QMMMGPOBSA-N 0 3 240.259 1.074 20 5 BDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267092387 176169395 /nfs/dbraw/zinc/16/93/95/176169395.db2.gz QDMVIOYXSCPUSV-SECBINFHSA-N 0 3 224.264 1.133 20 5 BDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351783322 176304024 /nfs/dbraw/zinc/30/40/24/176304024.db2.gz RKWHIXOZNFGJPH-SKDRFNHKSA-N 0 3 236.271 1.407 20 5 BDBDHN COCCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101586 586592063 /nfs/dbraw/zinc/59/20/63/586592063.db2.gz DPUMKHDXQKQKET-RKDXNWHRSA-N 0 3 233.264 1.258 20 5 BDBDHN Cc1c(CNCCN2CCC2)cccc1[N+](=O)[O-] ZINC000829319242 582855312 /nfs/dbraw/zinc/85/53/12/582855312.db2.gz DDKHFSRECUAFSX-UHFFFAOYSA-N 0 3 249.314 1.699 20 5 BDBDHN CN1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000893936450 583252392 /nfs/dbraw/zinc/25/23/92/583252392.db2.gz WYYPIFHNUXAZAM-ONGXEEELSA-N 0 3 248.286 1.130 20 5 BDBDHN COc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000899856280 584243889 /nfs/dbraw/zinc/24/38/89/584243889.db2.gz QVZYSJCKMGHBOD-UHFFFAOYSA-N 0 3 224.260 1.104 20 5 BDBDHN CC(COC(=O)/C=C\C1CCCC1)[N+](=O)[O-] ZINC000842801544 585046217 /nfs/dbraw/zinc/04/62/17/585046217.db2.gz KLZJAGLMEPKRND-NMTCXDENSA-N 0 3 227.260 1.941 20 5 BDBDHN O=[N+]([O-])CCN1CCC2(C1)CCCCC2 ZINC000791052987 585972619 /nfs/dbraw/zinc/97/26/19/585972619.db2.gz QUFOMSZJYLOEBQ-UHFFFAOYSA-N 0 3 212.293 1.919 20 5 BDBDHN CS[C@H]1CCCCN(CC[N+](=O)[O-])C1 ZINC000791055134 585973366 /nfs/dbraw/zinc/97/33/66/585973366.db2.gz PLLIZVIFXHBRGM-VIFPVBQESA-N 0 3 218.322 1.481 20 5 BDBDHN CCOCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102110 586591911 /nfs/dbraw/zinc/59/19/11/586591911.db2.gz BFMYZPRBLIIWJE-QMMMGPOBSA-N 0 3 219.237 1.012 20 5 BDBDHN CC(COC(=O)c1ccc(F)cc1F)[N+](=O)[O-] ZINC000813102374 586591937 /nfs/dbraw/zinc/59/19/37/586591937.db2.gz QDSDHKVDQOBGQG-ZCFIWIBFSA-N 0 3 245.181 1.787 20 5 BDBDHN CC(COC(=O)c1coc(C2CC2)n1)[N+](=O)[O-] ZINC000813103347 586591943 /nfs/dbraw/zinc/59/19/43/586591943.db2.gz OYTZDWIRFWXUOK-LURJTMIESA-N 0 3 240.215 1.374 20 5 BDBDHN Cc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813102253 586592041 /nfs/dbraw/zinc/59/20/41/586592041.db2.gz CRPWGEGABLABHU-YFKPBYRVSA-N 0 3 244.272 1.582 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813102938 586592132 /nfs/dbraw/zinc/59/21/32/586592132.db2.gz WOVCVFISBCSGHG-ZCFIWIBFSA-N 0 3 213.189 1.410 20 5 BDBDHN CS[C@@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104603 586592240 /nfs/dbraw/zinc/59/22/40/586592240.db2.gz FJHZNZXIQCDZPK-YUMQZZPRSA-N 0 3 235.305 1.727 20 5 BDBDHN CC(COC(=O)[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813104690 586592350 /nfs/dbraw/zinc/59/23/50/586592350.db2.gz PXNRKJLYCWDCOH-ZJUUUORDSA-N 0 3 237.255 1.999 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1C ZINC000813103922 586592366 /nfs/dbraw/zinc/59/23/66/586592366.db2.gz IKAXHOVIKQVYEV-QMMMGPOBSA-N 0 3 240.259 1.464 20 5 BDBDHN CC(C)CCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105151 586592378 /nfs/dbraw/zinc/59/23/78/586592378.db2.gz WGHGMABTROWFRL-UWVGGRQHSA-N 0 3 247.291 1.646 20 5 BDBDHN CSC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106826 586592770 /nfs/dbraw/zinc/59/27/70/586592770.db2.gz IJDKZJNKDPTTEP-RQJHMYQMSA-N 0 3 221.278 1.194 20 5 BDBDHN COc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107866 586592836 /nfs/dbraw/zinc/59/28/36/586592836.db2.gz YBLNKRCVQLLWLQ-ZCFIWIBFSA-N 0 3 245.256 1.579 20 5 BDBDHN COC1(CC(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813108149 586593383 /nfs/dbraw/zinc/59/33/83/586593383.db2.gz BHFYWHMZVZUTGF-MRVPVSSYSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(C)c1cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]1 ZINC000813111429 586593577 /nfs/dbraw/zinc/59/35/77/586593577.db2.gz HCDVYWVLZBREGZ-ZETCQYMHSA-N 0 3 241.247 1.355 20 5 BDBDHN CC(COC(=O)C1CC(F)(F)C1)[N+](=O)[O-] ZINC000813111571 586593754 /nfs/dbraw/zinc/59/37/54/586593754.db2.gz VCKZTJFNDHHPIR-RXMQYKEDSA-N 0 3 223.175 1.240 20 5 BDBDHN CC(COC(=O)COC(C)(C)C)[N+](=O)[O-] ZINC000813110881 586593794 /nfs/dbraw/zinc/59/37/94/586593794.db2.gz LJLKXAWMPDDIKE-ZETCQYMHSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)[C@@H]1Cc2ccccc21)[N+](=O)[O-] ZINC000813112636 586593890 /nfs/dbraw/zinc/59/38/90/586593890.db2.gz RZFIAYDLGJSNKM-GZMMTYOYSA-N 0 3 235.239 1.535 20 5 BDBDHN CC(COC(=O)[C@@H]1Cc2ccccc21)[N+](=O)[O-] ZINC000813112639 586593944 /nfs/dbraw/zinc/59/39/44/586593944.db2.gz RZFIAYDLGJSNKM-LDYMZIIASA-N 0 3 235.239 1.535 20 5 BDBDHN CCc1nc(C(=O)OCC(C)[N+](=O)[O-])c(C)o1 ZINC000813113883 586593963 /nfs/dbraw/zinc/59/39/63/586593963.db2.gz VRPMHISQHDQDQM-ZCFIWIBFSA-N 0 3 242.231 1.367 20 5 BDBDHN CC(COC(=O)CSC(F)F)[N+](=O)[O-] ZINC000835455331 587803131 /nfs/dbraw/zinc/80/31/31/587803131.db2.gz OHYDQZZHMMRXGG-SCSAIBSYSA-N 0 3 229.204 1.151 20 5 BDBDHN COCC1(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801788 588065044 /nfs/dbraw/zinc/06/50/44/588065044.db2.gz LXVJSSRIQKRFGT-QMMMGPOBSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1C1CCC1)[N+](=O)[O-] ZINC000845577270 588233956 /nfs/dbraw/zinc/23/39/56/588233956.db2.gz RTPIQLJGOJQYJX-UJNFCWOMSA-N 0 3 227.260 1.631 20 5 BDBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000860776257 589119446 /nfs/dbraw/zinc/11/94/46/589119446.db2.gz DAPUVDVAXBJAHN-SSDOTTSWSA-N 0 3 241.247 1.033 20 5 BDBDHN CC(COC(=O)c1cnn(C(F)F)c1)[N+](=O)[O-] ZINC000870378046 589661340 /nfs/dbraw/zinc/66/13/40/589661340.db2.gz UNWZKZUNKQUXET-YFKPBYRVSA-N 0 3 249.173 1.100 20 5 BDBDHN NOCCCNCc1ccc([N+](=O)[O-])cc1F ZINC000904457098 637419009 /nfs/dbraw/zinc/41/90/09/637419009.db2.gz NZDVHRPMOIJASQ-UHFFFAOYSA-N 0 3 243.238 1.104 20 5 BDBDHN O=[N+]([O-])CCNCCCOc1ccccc1F ZINC000905029078 637578033 /nfs/dbraw/zinc/57/80/33/637578033.db2.gz YJNKFROTIVMASM-UHFFFAOYSA-N 0 3 242.250 1.461 20 5 BDBDHN Cc1noc(C)c1[C@@H](C)CNCC[N+](=O)[O-] ZINC000905180394 637663356 /nfs/dbraw/zinc/66/33/56/637663356.db2.gz PSZMGKMJLPUQKX-ZETCQYMHSA-N 0 3 227.264 1.261 20 5 BDBDHN O=[N+]([O-])CCNCCSCC(F)(F)F ZINC000905193877 637671657 /nfs/dbraw/zinc/67/16/57/637671657.db2.gz GEJVDBZJBHWVPK-UHFFFAOYSA-N 0 3 232.227 1.148 20 5 BDBDHN COCC[C@H](Cc1ccco1)NCC[N+](=O)[O-] ZINC000905204608 637696137 /nfs/dbraw/zinc/69/61/37/637696137.db2.gz QIOXAPNWZRXZOS-SNVBAGLBSA-N 0 3 242.275 1.094 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@]2(CCSC2)C1 ZINC000930663745 639852354 /nfs/dbraw/zinc/85/23/54/639852354.db2.gz MEAGHRCGNNKERX-SNVBAGLBSA-N 0 3 230.333 1.482 20 5 BDBDHN C[C@H]1CCN(CC[N+](=O)[O-])CC12CCC2 ZINC000930170965 646471930 /nfs/dbraw/zinc/47/19/30/646471930.db2.gz KFFRRYMMWHBBGM-JTQLQIEISA-N 0 3 212.293 1.775 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC[C@@H](F)C2)C1 ZINC001169023893 969366212 /nfs/dbraw/zinc/36/62/12/969366212.db2.gz GHSQPLIEQBPOJT-AEJSXWLSSA-N 0 3 216.256 1.476 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]2C[C@H]2C[C@H]1C)[N+](=O)[O-] ZINC001344808833 980471374 /nfs/dbraw/zinc/47/13/74/980471374.db2.gz UTXCAEJSGQKNPA-ISUQUUIWSA-N 0 3 241.287 1.877 20 5 BDBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])ccn2)n1 ZINC001158346338 963851468 /nfs/dbraw/zinc/85/14/68/963851468.db2.gz XHYATKOYAQYHQI-ZETCQYMHSA-N 0 3 233.231 1.195 20 5 BDBDHN Cc1cc(CN)nn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968225 969321711 /nfs/dbraw/zinc/32/17/11/969321711.db2.gz XOMBVGYOPXKZAW-GXSJLCMTSA-N 0 3 238.291 1.268 20 5 BDBDHN Cc1cc(-n2ccc([C@H](C)N)n2)ncc1[N+](=O)[O-] ZINC001169231388 969507217 /nfs/dbraw/zinc/50/72/17/969507217.db2.gz IQWACFNVOATJTB-QMMMGPOBSA-N 0 3 247.258 1.504 20 5 BDBDHN Cc1cnc(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169232399 969511273 /nfs/dbraw/zinc/51/12/73/969511273.db2.gz DZKWITONDXIXFB-QMMMGPOBSA-N 0 3 247.258 1.504 20 5 BDBDHN CS[C@H]1CC[C@H](N(C)CC[N+](=O)[O-])C1 ZINC001333832387 976112763 /nfs/dbraw/zinc/11/27/63/976112763.db2.gz GIXFVQASLRNLMC-IUCAKERBSA-N 0 3 218.322 1.479 20 5 BDBDHN CN1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857999 978714831 /nfs/dbraw/zinc/71/48/31/978714831.db2.gz QPEKAZWJMCTYDP-SNVBAGLBSA-N 0 3 237.259 1.463 20 5 BDBDHN CC(COC(=O)[C@@H](C)[C@@H]1CCCO1)[N+](=O)[O-] ZINC001344806477 980472337 /nfs/dbraw/zinc/47/23/37/980472337.db2.gz DBFCTYBZXCCNML-VGMNWLOBSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C1(C)CC=CC1)[N+](=O)[O-] ZINC001518856338 989344869 /nfs/dbraw/zinc/34/48/69/989344869.db2.gz RYFRIVUPRZGYKP-MRVPVSSYSA-N 0 3 213.233 1.551 20 5 BDBDHN O=[N+]([O-])CCN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001560065048 991373241 /nfs/dbraw/zinc/37/32/41/991373241.db2.gz CCDYQYAXZZMFQR-MCIONIFRSA-N 0 3 246.310 1.999 20 5 BDBDHN CC(C)(CNCC[N+](=O)[O-])C1(O)CCCC1 ZINC001262571142 992928598 /nfs/dbraw/zinc/92/85/98/992928598.db2.gz NHVJFHFDQYASEK-UHFFFAOYSA-N 0 3 230.308 1.184 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CNCC(C)(C)O ZINC000183478273 178271656 /nfs/dbraw/zinc/27/16/56/178271656.db2.gz AXUGDDQFZFEQPS-UHFFFAOYSA-N 0 3 238.287 1.764 20 5 BDBDHN O=[N+]([O-])c1ncccc1N[C@H]1CCN(C2CC2)C1 ZINC000134403318 342826054 /nfs/dbraw/zinc/82/60/54/342826054.db2.gz OEUMIQWYPWWFFZ-VIFPVBQESA-N 0 3 248.286 1.638 20 5 BDBDHN CC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174880122 362002901 /nfs/dbraw/zinc/00/29/01/362002901.db2.gz NKLGJVVOXDPANN-UHFFFAOYSA-N 0 3 238.291 1.523 20 5 BDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC1(C)C ZINC000489414751 398311947 /nfs/dbraw/zinc/31/19/47/398311947.db2.gz OUSSXEKDKCUURH-SECBINFHSA-N 0 3 238.291 1.522 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[C@@H]1C ZINC000602832746 349768587 /nfs/dbraw/zinc/76/85/87/349768587.db2.gz QVGZMLDWWLPOEQ-BDAKNGLRSA-N 0 3 238.291 1.440 20 5 BDBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000038088054 343942426 /nfs/dbraw/zinc/94/24/26/343942426.db2.gz OWCFEJOSWZDZNU-SNVBAGLBSA-N 0 3 237.303 1.635 20 5 BDBDHN C[C@@H](CNCc1ccccc1[N+](=O)[O-])N(C)C ZINC000038088055 343942451 /nfs/dbraw/zinc/94/24/51/343942451.db2.gz NRQNILHDCKPZOL-JTQLQIEISA-N 0 3 237.303 1.635 20 5 BDBDHN CN1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000221254847 344711865 /nfs/dbraw/zinc/71/18/65/344711865.db2.gz DPWMMDGQVPCLOY-SECBINFHSA-N 0 3 236.275 1.496 20 5 BDBDHN NC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000148228953 345352718 /nfs/dbraw/zinc/35/27/18/345352718.db2.gz CVLMBNJRCYLSIG-UHFFFAOYSA-N 0 3 249.270 1.092 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCOCCF)cc1 ZINC000596058604 348435537 /nfs/dbraw/zinc/43/55/37/348435537.db2.gz NBNSSTWLYATBMO-UHFFFAOYSA-N 0 3 242.250 1.671 20 5 BDBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596077295 348438856 /nfs/dbraw/zinc/43/88/56/348438856.db2.gz UOIJOIUHUPDVPT-SSDOTTSWSA-N 0 3 240.263 1.057 20 5 BDBDHN Cc1noc(CSCCN(C)C)c1[N+](=O)[O-] ZINC000596024916 348424603 /nfs/dbraw/zinc/42/46/03/348424603.db2.gz SLNJGSDTXWJQGI-UHFFFAOYSA-N 0 3 245.304 1.686 20 5 BDBDHN CO[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000599015805 349082141 /nfs/dbraw/zinc/08/21/41/349082141.db2.gz PNTDLQUQOSWTST-XYPYZODXSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1ccn(CCN(C2CC2)C2CC2)n1 ZINC000599597838 349223787 /nfs/dbraw/zinc/22/37/87/349223787.db2.gz ABWDFRCXVREQSL-UHFFFAOYSA-N 0 3 236.275 1.418 20 5 BDBDHN Cc1nc(N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000169015540 180022701 /nfs/dbraw/zinc/02/27/01/180022701.db2.gz KTSCLTQEGDXILA-QMMMGPOBSA-N 0 3 238.291 1.660 20 5 BDBDHN CN(C)CCNc1ccsc1[N+](=O)[O-] ZINC000033901263 350249890 /nfs/dbraw/zinc/24/98/90/350249890.db2.gz AFRONXIZVBQQHP-UHFFFAOYSA-N 0 3 215.278 1.630 20 5 BDBDHN C[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035602260 358002528 /nfs/dbraw/zinc/00/25/28/358002528.db2.gz CALNQSQJIUGOOX-RKDXNWHRSA-N 0 3 224.260 1.626 20 5 BDBDHN O=C(CNC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000037386722 363839144 /nfs/dbraw/zinc/83/91/44/363839144.db2.gz PRFVAHZVJJLQSX-UHFFFAOYSA-N 0 3 235.243 1.285 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[C@H]1C ZINC000602832747 371846294 /nfs/dbraw/zinc/84/62/94/371846294.db2.gz QVGZMLDWWLPOEQ-DTWKUNHWSA-N 0 3 238.291 1.440 20 5 BDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C ZINC000602780156 371839211 /nfs/dbraw/zinc/83/92/11/371839211.db2.gz FJPCWAHDPDCZNS-VIFPVBQESA-N 0 3 238.291 1.584 20 5 BDBDHN C[C@@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000096811754 383942185 /nfs/dbraw/zinc/94/21/85/383942185.db2.gz DICYFSJERUWRQZ-VIFPVBQESA-N 0 3 224.260 1.455 20 5 BDBDHN C[C@@H](CCO)NCc1csc([N+](=O)[O-])c1 ZINC000096811328 383942242 /nfs/dbraw/zinc/94/22/42/383942242.db2.gz NOJHKZZTOPFTRE-ZETCQYMHSA-N 0 3 230.289 1.517 20 5 BDBDHN CN(C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000090998429 384089030 /nfs/dbraw/zinc/08/90/30/384089030.db2.gz ZLQCYWUBZNFKSU-UHFFFAOYSA-N 0 3 245.229 1.847 20 5 BDBDHN CC(C)[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000134695357 384388578 /nfs/dbraw/zinc/38/85/78/384388578.db2.gz KNHBYWUNTNICQJ-LBPRGKRZSA-N 0 3 238.287 1.701 20 5 BDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)C1CC1 ZINC000071300364 384803121 /nfs/dbraw/zinc/80/31/21/384803121.db2.gz PRPITFSWVXVKTR-GFCCVEGCSA-N 0 3 236.271 1.455 20 5 BDBDHN CN(CCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000263991308 385191352 /nfs/dbraw/zinc/19/13/52/385191352.db2.gz JZYYIOYBZSNJAU-UHFFFAOYSA-N 0 3 238.287 1.799 20 5 BDBDHN CN(CCO)CCc1ccccc1[N+](=O)[O-] ZINC000062727282 385149273 /nfs/dbraw/zinc/14/92/73/385149273.db2.gz ZIKGJKYEZAUFSO-UHFFFAOYSA-N 0 3 224.260 1.061 20 5 BDBDHN O=[N+]([O-])c1ccc(CNCCN2CCC2)cc1 ZINC000344845403 386224913 /nfs/dbraw/zinc/22/49/13/386224913.db2.gz JLCLTNWNOYCLMO-UHFFFAOYSA-N 0 3 235.287 1.390 20 5 BDBDHN C[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000035601432 387374025 /nfs/dbraw/zinc/37/40/25/387374025.db2.gz UHDFAXSDAMNOAE-BDAKNGLRSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000295842187 387440545 /nfs/dbraw/zinc/44/05/45/387440545.db2.gz DJWIBYWHJNJKNF-UISBYWKRSA-N 0 3 236.271 1.769 20 5 BDBDHN Cc1c([C@@H](C)N[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000268874528 387541102 /nfs/dbraw/zinc/54/11/02/387541102.db2.gz WEWBULMKKJWJOG-PSASIEDQSA-N 0 3 238.287 1.935 20 5 BDBDHN C[C@H](CNc1ncc([N+](=O)[O-])s1)N(C)C ZINC000226770538 388355249 /nfs/dbraw/zinc/35/52/49/388355249.db2.gz RGXRSWBQBSSOBO-ZCFIWIBFSA-N 0 3 230.293 1.413 20 5 BDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000174876995 388442993 /nfs/dbraw/zinc/44/29/93/388442993.db2.gz KPXHLQXGYHOZKK-UHFFFAOYSA-N 0 3 224.264 1.276 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCO ZINC000272377048 388419712 /nfs/dbraw/zinc/41/97/12/388419712.db2.gz VJBYCVNYDWQUEY-SNVBAGLBSA-N 0 3 238.287 1.888 20 5 BDBDHN C[C@H](CCCO)NCc1ccccc1[N+](=O)[O-] ZINC000094942325 388432090 /nfs/dbraw/zinc/43/20/90/388432090.db2.gz NAHNGMGFUIMQKD-SNVBAGLBSA-N 0 3 238.287 1.845 20 5 BDBDHN CC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000124474450 388748269 /nfs/dbraw/zinc/74/82/69/388748269.db2.gz ULZHGPLQWWGKEV-NSHDSACASA-N 0 3 238.287 1.764 20 5 BDBDHN Cc1cc(=O)n(C[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000330873310 388761013 /nfs/dbraw/zinc/76/10/13/388761013.db2.gz HWSOVTCAPZFSJE-SECBINFHSA-N 0 3 239.275 1.015 20 5 BDBDHN CC1(CNCc2cccc([N+](=O)[O-])c2)COC1 ZINC000070987640 168044014 /nfs/dbraw/zinc/04/40/14/168044014.db2.gz ZCKOHODLXKWVQT-UHFFFAOYSA-N 0 3 236.271 1.721 20 5 BDBDHN COCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176765 174337677 /nfs/dbraw/zinc/33/76/77/174337677.db2.gz FUVPWQZQENREOM-VIFPVBQESA-N 0 3 224.260 1.892 20 5 BDBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000293520265 176295340 /nfs/dbraw/zinc/29/53/40/176295340.db2.gz VZJITJKRYKSLIC-RKDXNWHRSA-N 0 3 224.264 1.132 20 5 BDBDHN C[C@@H]1[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000339562925 177255507 /nfs/dbraw/zinc/25/55/07/177255507.db2.gz OWZZQFCLJUXDLB-DTWKUNHWSA-N 0 3 224.264 1.132 20 5 BDBDHN CC(COC(=O)c1ccc2c(c1)CCC2)[N+](=O)[O-] ZINC000813106844 582583051 /nfs/dbraw/zinc/58/30/51/582583051.db2.gz IPSZYEIIPIPIKH-VIFPVBQESA-N 0 3 249.266 1.997 20 5 BDBDHN CC(COC(=O)c1ccc2[nH]cnc2c1)[N+](=O)[O-] ZINC000893045625 583037296 /nfs/dbraw/zinc/03/72/96/583037296.db2.gz ZAHLSGQDWFFABF-ZETCQYMHSA-N 0 3 249.226 1.385 20 5 BDBDHN CN1C[C@H]2[C@@H](CCN2c2ncccc2[N+](=O)[O-])C1 ZINC000893940410 583255249 /nfs/dbraw/zinc/25/52/49/583255249.db2.gz OHWMBLKFPAERRD-ONGXEEELSA-N 0 3 248.286 1.130 20 5 BDBDHN CN(CCCNCC[N+](=O)[O-])c1ccccc1 ZINC000899860629 584242825 /nfs/dbraw/zinc/24/28/25/584242825.db2.gz SRSDTQAJSUINHR-UHFFFAOYSA-N 0 3 237.303 1.379 20 5 BDBDHN O=[N+]([O-])CCNCC1(c2ccccc2)CC1 ZINC000899865764 584245036 /nfs/dbraw/zinc/24/50/36/584245036.db2.gz UPOSTEINECBZIL-UHFFFAOYSA-N 0 3 220.272 1.585 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1C[C@@H]1c1ccccc1 ZINC000899874112 584245618 /nfs/dbraw/zinc/24/56/18/584245618.db2.gz ZAZAMGJBEKSPOQ-GHMZBOCLSA-N 0 3 206.245 1.409 20 5 BDBDHN C[C@@]1(CCNCC[N+](=O)[O-])CC1(F)F ZINC000899891013 584245967 /nfs/dbraw/zinc/24/59/67/584245967.db2.gz GJQUVXSISMCJRU-SSDOTTSWSA-N 0 3 208.208 1.288 20 5 BDBDHN CSCC1(CCNCC[N+](=O)[O-])CC1 ZINC000899892158 584249069 /nfs/dbraw/zinc/24/90/69/584249069.db2.gz NXKPGEOTMHGYCF-UHFFFAOYSA-N 0 3 218.322 1.386 20 5 BDBDHN C[C@H]1CCCC[C@H]1N(C)CC[N+](=O)[O-] ZINC000798198024 586140239 /nfs/dbraw/zinc/14/02/39/586140239.db2.gz XYECIZFGEBOKAT-VHSXEESVSA-N 0 3 200.282 1.774 20 5 BDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813102358 586591869 /nfs/dbraw/zinc/59/18/69/586591869.db2.gz FBVLZQZLANHONV-LURJTMIESA-N 0 3 213.189 1.410 20 5 BDBDHN Cc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813101515 586592134 /nfs/dbraw/zinc/59/21/34/586592134.db2.gz CKQHNTAGIIUXMD-QMMMGPOBSA-N 0 3 241.243 1.729 20 5 BDBDHN COCc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813101770 586592214 /nfs/dbraw/zinc/59/22/14/586592214.db2.gz IKYKMILXKJJWPQ-SSDOTTSWSA-N 0 3 243.215 1.248 20 5 BDBDHN CSc1ccc(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813105041 586592280 /nfs/dbraw/zinc/59/22/80/586592280.db2.gz UIMKFNPBRZYFMD-ZCFIWIBFSA-N 0 3 245.256 1.824 20 5 BDBDHN CCN1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104201 586592382 /nfs/dbraw/zinc/59/23/82/586592382.db2.gz YABOUQXGMRJTIB-NXEZZACHSA-N 0 3 244.291 1.069 20 5 BDBDHN CCc1noc(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104173 586592384 /nfs/dbraw/zinc/59/23/84/586592384.db2.gz XKVZKOQXTYYPHC-LURJTMIESA-N 0 3 242.231 1.367 20 5 BDBDHN CCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105555 586592546 /nfs/dbraw/zinc/59/25/46/586592546.db2.gz OLXAOUICHWWNFA-HTQZYQBOSA-N 0 3 203.238 1.631 20 5 BDBDHN CC(COC(=O)c1cccc2c[nH]nc21)[N+](=O)[O-] ZINC000813107479 586592632 /nfs/dbraw/zinc/59/26/32/586592632.db2.gz OKVZYTDCBUDKLT-ZETCQYMHSA-N 0 3 249.226 1.385 20 5 BDBDHN CCS[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813107523 586592790 /nfs/dbraw/zinc/59/27/90/586592790.db2.gz RWFSILCQLBLDJR-DTWKUNHWSA-N 0 3 249.332 1.973 20 5 BDBDHN CC(COC(=O)c1ccoc1Cl)[N+](=O)[O-] ZINC000813106632 586592935 /nfs/dbraw/zinc/59/29/35/586592935.db2.gz FKFBFNMQUQHCRZ-YFKPBYRVSA-N 0 3 233.607 1.755 20 5 BDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c(C)s1 ZINC000813107584 586592969 /nfs/dbraw/zinc/59/29/69/586592969.db2.gz OOUMAFOXVLUMAM-RXMQYKEDSA-N 0 3 244.272 1.582 20 5 BDBDHN CC(COC(=O)/C=C/c1ccc[nH]1)[N+](=O)[O-] ZINC000813108880 586593085 /nfs/dbraw/zinc/59/30/85/586593085.db2.gz BMDQNSKHGKPSEJ-ZJELKQJVSA-N 0 3 224.216 1.236 20 5 BDBDHN CC(COC(=O)/C=C/c1ccc[nH]1)[N+](=O)[O-] ZINC000813108879 586593095 /nfs/dbraw/zinc/59/30/95/586593095.db2.gz BMDQNSKHGKPSEJ-WTSVBCDHSA-N 0 3 224.216 1.236 20 5 BDBDHN CC(COC(=O)c1ccc(Cl)nc1)[N+](=O)[O-] ZINC000813109780 586593109 /nfs/dbraw/zinc/59/31/09/586593109.db2.gz WQDYRNIOJVHNOI-LURJTMIESA-N 0 3 244.634 1.557 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108678 586593127 /nfs/dbraw/zinc/59/31/27/586593127.db2.gz JQWNZOOBAOPRMO-SECBINFHSA-N 0 3 223.228 1.817 20 5 BDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccccc1)[N+](=O)[O-] ZINC000813109264 586593221 /nfs/dbraw/zinc/59/32/21/586593221.db2.gz HNPWLNSLSNXUGF-ADEWGFFLSA-N 0 3 249.266 1.999 20 5 BDBDHN CC(COC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813109593 586593261 /nfs/dbraw/zinc/59/32/61/586593261.db2.gz MUCQFWYTOZZGMG-ZETCQYMHSA-N 0 3 227.191 1.648 20 5 BDBDHN CC(COC(=O)[C@H](C)C1CCOCC1)[N+](=O)[O-] ZINC000813109702 586593281 /nfs/dbraw/zinc/59/32/81/586593281.db2.gz NZWHXQBXPHQQQP-DTWKUNHWSA-N 0 3 245.275 1.258 20 5 BDBDHN CC(COC(=O)C1(F)CCCCC1)[N+](=O)[O-] ZINC000813111887 586593419 /nfs/dbraw/zinc/59/34/19/586593419.db2.gz BCFUKTPQCDZZFO-QMMMGPOBSA-N 0 3 233.239 1.867 20 5 BDBDHN CSC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813111487 586593513 /nfs/dbraw/zinc/59/35/13/586593513.db2.gz IMMSOUBEHACZLA-ZETCQYMHSA-N 0 3 233.289 1.481 20 5 BDBDHN CC(COC(=O)/C=C\c1cccs1)[N+](=O)[O-] ZINC000813110902 586593527 /nfs/dbraw/zinc/59/35/27/586593527.db2.gz LRBMCLLGAXHYGM-PULIVWKDSA-N 0 3 241.268 1.970 20 5 BDBDHN CC(COC(=O)c1cccc(F)c1F)[N+](=O)[O-] ZINC000813111021 586593535 /nfs/dbraw/zinc/59/35/35/586593535.db2.gz AMCOYBAYDFYLAE-ZCFIWIBFSA-N 0 3 245.181 1.787 20 5 BDBDHN CCCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813110637 586593607 /nfs/dbraw/zinc/59/36/07/586593607.db2.gz GEHWXYDLWFTFJZ-MRVPVSSYSA-N 0 3 241.247 1.115 20 5 BDBDHN CC(COC(=O)CCC1CC1)[N+](=O)[O-] ZINC000813112894 586593907 /nfs/dbraw/zinc/59/39/07/586593907.db2.gz VZANRMNHKPJCCA-SSDOTTSWSA-N 0 3 201.222 1.385 20 5 BDBDHN CC(COC(=O)[C@]1(C)CCCOC1)[N+](=O)[O-] ZINC000813113827 586594014 /nfs/dbraw/zinc/59/40/14/586594014.db2.gz JRVBNXQEXZBAGN-WCBMZHEXSA-N 0 3 231.248 1.012 20 5 BDBDHN CC[C@@](C)(OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112967 586594056 /nfs/dbraw/zinc/59/40/56/586594056.db2.gz MRBPZRPLKBIIOE-VXNVDRBHSA-N 0 3 219.237 1.010 20 5 BDBDHN Cc1cc(F)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115001 586594242 /nfs/dbraw/zinc/59/42/42/586594242.db2.gz ZNWLRDSZNMYMII-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN CC(COC(=O)c1ccc(Cl)o1)[N+](=O)[O-] ZINC000813115784 586594251 /nfs/dbraw/zinc/59/42/51/586594251.db2.gz ZNKJZYCWUMMRBN-YFKPBYRVSA-N 0 3 233.607 1.755 20 5 BDBDHN COCCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115697 586594333 /nfs/dbraw/zinc/59/43/33/586594333.db2.gz YBGXUBJPAQPOAR-QMMMGPOBSA-N 0 3 233.264 1.258 20 5 BDBDHN CC(COC(=O)[C@@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813115316 586594388 /nfs/dbraw/zinc/59/43/88/586594388.db2.gz OVQKIELFAPFMJY-IWSPIJDZSA-N 0 3 215.249 1.631 20 5 BDBDHN CC(C)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114965 586594405 /nfs/dbraw/zinc/59/44/05/586594405.db2.gz YURLTCXXZHNIDB-QMMMGPOBSA-N 0 3 241.247 1.286 20 5 BDBDHN CC(COC(=O)[C@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114941 586594447 /nfs/dbraw/zinc/59/44/47/586594447.db2.gz YDLJRTVRFRRNHL-YIZRAAEISA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)[C@@H](C)C(C)(F)F)[N+](=O)[O-] ZINC000816091177 586707275 /nfs/dbraw/zinc/70/72/75/586707275.db2.gz NLVMKBGTKFDRNV-PHDIDXHHSA-N 0 3 225.191 1.486 20 5 BDBDHN CCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000816091274 586707330 /nfs/dbraw/zinc/70/73/30/586707330.db2.gz QERHSVWTCRCUEN-ZCFIWIBFSA-N 0 3 242.231 1.367 20 5 BDBDHN CC(COC(=O)[C@@H](C)C(C)(F)F)[N+](=O)[O-] ZINC000816091176 586707550 /nfs/dbraw/zinc/70/75/50/586707550.db2.gz NLVMKBGTKFDRNV-NTSWFWBYSA-N 0 3 225.191 1.486 20 5 BDBDHN CC(COC(=O)CSC1CC1)[N+](=O)[O-] ZINC000835453645 587802758 /nfs/dbraw/zinc/80/27/58/587802758.db2.gz FFNWNUUCUGVCLK-ZCFIWIBFSA-N 0 3 219.262 1.090 20 5 BDBDHN CCc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000835453625 587802852 /nfs/dbraw/zinc/80/28/52/587802852.db2.gz DQUYDAHMMHNNQA-QMMMGPOBSA-N 0 3 238.243 1.466 20 5 BDBDHN CC/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000835457690 587803241 /nfs/dbraw/zinc/80/32/41/587803241.db2.gz YYUWZCYXYABCBS-IVGLGHLBSA-N 0 3 201.222 1.551 20 5 BDBDHN CC(COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)[N+](=O)[O-] ZINC000835455965 587803409 /nfs/dbraw/zinc/80/34/09/587803409.db2.gz RGFSIMLFSUQQOW-IMSYWVGJSA-N 0 3 227.260 1.631 20 5 BDBDHN CC(COC(=O)C1SCCS1)[N+](=O)[O-] ZINC000842363425 588021389 /nfs/dbraw/zinc/02/13/89/588021389.db2.gz IOMBLMNYBNXBPZ-YFKPBYRVSA-N 0 3 237.302 1.001 20 5 BDBDHN CC(C)c1[nH]ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000845577008 588233739 /nfs/dbraw/zinc/23/37/39/588233739.db2.gz QBNABBBCUWYAEA-MRVPVSSYSA-N 0 3 240.259 1.960 20 5 BDBDHN CSCC1(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000845577014 588233807 /nfs/dbraw/zinc/23/38/07/588233807.db2.gz QGJSKFSGIONMKW-MRVPVSSYSA-N 0 3 247.316 1.728 20 5 BDBDHN CCOC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000851037548 588582416 /nfs/dbraw/zinc/58/24/16/588582416.db2.gz WJGJPQAWAQICDU-QMMMGPOBSA-N 0 3 231.248 1.154 20 5 BDBDHN CC(COC(=O)C1CC2(CC2)C1)[N+](=O)[O-] ZINC000851037174 588585926 /nfs/dbraw/zinc/58/59/26/588585926.db2.gz RIDYXPGQECSGIH-ZETCQYMHSA-N 0 3 213.233 1.385 20 5 BDBDHN CC(COC(=O)c1ccc(CF)cc1)[N+](=O)[O-] ZINC000851036026 588585672 /nfs/dbraw/zinc/58/56/72/588585672.db2.gz BRZNWSRJORNLES-QMMMGPOBSA-N 0 3 241.218 1.978 20 5 BDBDHN CC(COC(=O)[C@H]1CCCC12CC2)[N+](=O)[O-] ZINC000860777828 589119510 /nfs/dbraw/zinc/11/95/10/589119510.db2.gz WZHSVEMYUSSQLQ-DTWKUNHWSA-N 0 3 227.260 1.775 20 5 BDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000886284362 592199907 /nfs/dbraw/zinc/19/99/07/592199907.db2.gz UYROSZOWKIKOGD-MWLCHTKSSA-N 0 3 233.271 1.832 20 5 BDBDHN CC1(C)C[C@H](NCC[N+](=O)[O-])C(C)(C)O1 ZINC000309118788 631890911 /nfs/dbraw/zinc/89/09/11/631890911.db2.gz MRTYWSDYAHZPPT-QMMMGPOBSA-N 0 3 216.281 1.199 20 5 BDBDHN O=[N+]([O-])CCN[C@H]1CCCN(c2ccccc2)C1 ZINC000905120630 637627219 /nfs/dbraw/zinc/62/72/19/637627219.db2.gz CMXHPAWFZXXFRI-LBPRGKRZSA-N 0 3 249.314 1.522 20 5 BDBDHN CCCC[C@H](COC)NCC[N+](=O)[O-] ZINC000905128627 637642332 /nfs/dbraw/zinc/64/23/32/637642332.db2.gz SUZYVMVQIXLZOF-SECBINFHSA-N 0 3 204.270 1.058 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CSc2ccccc21 ZINC000905276109 637733258 /nfs/dbraw/zinc/73/32/58/637733258.db2.gz WKTZJNKNPWEOCH-SECBINFHSA-N 0 3 238.312 1.742 20 5 BDBDHN O=[N+]([O-])CCNC[C@@H]1CCCC1(F)F ZINC000905280141 637734367 /nfs/dbraw/zinc/73/43/67/637734367.db2.gz OZBTUJXJUQXVHK-ZETCQYMHSA-N 0 3 208.208 1.288 20 5 BDBDHN O=[N+]([O-])CCN[C@H](CO)CC1CCCCC1 ZINC000905345519 637768225 /nfs/dbraw/zinc/76/82/25/637768225.db2.gz NBCJGMNJYMDVSO-NSHDSACASA-N 0 3 230.308 1.184 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000905384238 637784449 /nfs/dbraw/zinc/78/44/49/637784449.db2.gz VEMSFONXZLDDNZ-QJPTWQEYSA-N 0 3 236.246 1.330 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@]2(CCSC2)C1 ZINC000930663744 639851724 /nfs/dbraw/zinc/85/17/24/639851724.db2.gz MEAGHRCGNNKERX-JTQLQIEISA-N 0 3 230.333 1.482 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@@H]1c1ccccc1)[N+](=O)[O-] ZINC000842363397 641201249 /nfs/dbraw/zinc/20/12/49/641201249.db2.gz HNPWLNSLSNXUGF-JLLWLGSASA-N 0 3 249.266 1.999 20 5 BDBDHN CO[C@@H]1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000816091129 644957924 /nfs/dbraw/zinc/95/79/24/644957924.db2.gz LTRNICGXNIKSBT-OPRDCNLKSA-N 0 3 245.275 1.400 20 5 BDBDHN C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000719580358 712812248 /nfs/dbraw/zinc/81/22/48/712812248.db2.gz RKNNVJLPBIWBPU-BDAKNGLRSA-N 0 3 236.275 1.494 20 5 BDBDHN CC(COC(=O)C1(CF)CCC1)[N+](=O)[O-] ZINC001345814179 957336896 /nfs/dbraw/zinc/33/68/96/957336896.db2.gz LFFUQQOMELMMFG-ZETCQYMHSA-N 0 3 219.212 1.335 20 5 BDBDHN CN1CC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226709227 963308863 /nfs/dbraw/zinc/30/88/63/963308863.db2.gz GOSGQUHOBRUBRR-SECBINFHSA-N 0 3 223.232 1.073 20 5 BDBDHN CC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254538506 969738029 /nfs/dbraw/zinc/73/80/29/969738029.db2.gz WOTBANQSFHVFTP-VIFPVBQESA-N 0 3 236.271 1.704 20 5 BDBDHN C[C@H](c1ccccc1)[C@@H](CO)NCC[N+](=O)[O-] ZINC001335222815 976888511 /nfs/dbraw/zinc/88/85/11/976888511.db2.gz SCWMLWKWMZLFDG-ZYHUDNBSSA-N 0 3 238.287 1.017 20 5 BDBDHN Cc1c(C)c(-n2cnc(CN)c2)ncc1[N+](=O)[O-] ZINC001154908658 962895511 /nfs/dbraw/zinc/89/55/11/962895511.db2.gz CNVONDMWXIRLBK-UHFFFAOYSA-N 0 3 247.258 1.251 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2nccs2)C1 ZINC001168958809 969309601 /nfs/dbraw/zinc/30/96/01/969309601.db2.gz PVWSRYORPRJXJR-RKDXNWHRSA-N 0 3 241.316 1.678 20 5 BDBDHN CC[C@@H]1COCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039138 969358494 /nfs/dbraw/zinc/35/84/94/969358494.db2.gz NMWRUSJMLYYSNN-UTUOFQBUSA-N 0 3 242.319 1.543 20 5 BDBDHN CN1CC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225629648 974604311 /nfs/dbraw/zinc/60/43/11/974604311.db2.gz YVYIHSARBFAAEC-VIFPVBQESA-N 0 3 223.232 1.073 20 5 BDBDHN Cc1cc(O[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC001225657890 974629021 /nfs/dbraw/zinc/62/90/21/974629021.db2.gz SRHZTGQTCWODDL-VIFPVBQESA-N 0 3 237.259 1.381 20 5 BDBDHN O=[N+]([O-])CCN1CC[C@@H](Cc2ccccc2)C1 ZINC001334604948 976566576 /nfs/dbraw/zinc/56/65/76/976566576.db2.gz WBRUHXNWCWMOAK-ZDUSSCGKSA-N 0 3 234.299 1.828 20 5 BDBDHN C[C@H](NCC[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC001336819744 977981898 /nfs/dbraw/zinc/98/18/98/977981898.db2.gz GOTOLRUAISXZNZ-CMPLNLGQSA-N 0 3 238.287 1.149 20 5 BDBDHN O=[N+]([O-])CCN[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC001336848701 977999910 /nfs/dbraw/zinc/99/99/10/977999910.db2.gz NYUITWDOBFRPTI-QJPTWQEYSA-N 0 3 218.256 1.191 20 5 BDBDHN CC[C@@H](COCC1CC1)NCC[N+](=O)[O-] ZINC001353326307 982839201 /nfs/dbraw/zinc/83/92/01/982839201.db2.gz WQFCZLXQSYHPRG-JTQLQIEISA-N 0 3 216.281 1.058 20 5 BDBDHN C[C@H]1CC[C@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC001119805216 989415135 /nfs/dbraw/zinc/41/51/35/989415135.db2.gz GVJKIHQPJBOJJI-QWRGUYRKSA-N 0 3 212.293 1.775 20 5 BDBDHN CO[C@@H]1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001123041444 990491687 /nfs/dbraw/zinc/49/16/87/990491687.db2.gz DCWQHRZDJHONDQ-XHNCKOQMSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)C[C@H]1CC=CCC1)[N+](=O)[O-] ZINC001123042969 990496239 /nfs/dbraw/zinc/49/62/39/990496239.db2.gz UVTQREKDKCVIRT-ZJUUUORDSA-N 0 3 227.260 1.941 20 5 BDBDHN Cc1cc(NCCN(C)C)ncc1[N+](=O)[O-] ZINC000086002027 178160320 /nfs/dbraw/zinc/16/03/20/178160320.db2.gz SKZVMESXZJDRNO-UHFFFAOYSA-N 0 3 224.264 1.272 20 5 BDBDHN CN(C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000105794859 398324972 /nfs/dbraw/zinc/32/49/72/398324972.db2.gz HYNDFAFDHIMHLO-UHFFFAOYSA-N 0 3 249.274 1.445 20 5 BDBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000505351949 529820836 /nfs/dbraw/zinc/82/08/36/529820836.db2.gz VMWVFLYRQZRTNU-XQRVVYSFSA-N 0 3 236.271 1.532 20 5 BDBDHN Cc1cnc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000080684979 345431041 /nfs/dbraw/zinc/43/10/41/345431041.db2.gz OMMNAZYOGLKLMY-UHFFFAOYSA-N 0 3 238.291 1.296 20 5 BDBDHN CN1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000590719074 347500730 /nfs/dbraw/zinc/50/07/30/347500730.db2.gz NXOZJYRKOVFNRN-SKDRFNHKSA-N 0 3 248.286 1.130 20 5 BDBDHN CC1(C)CN[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591673144 347684809 /nfs/dbraw/zinc/68/48/09/347684809.db2.gz PWGXYQZLDVVNQL-SNVBAGLBSA-N 0 3 249.270 1.531 20 5 BDBDHN CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293427390 351019055 /nfs/dbraw/zinc/01/90/55/351019055.db2.gz NODQBXKNRHIBBF-JTQLQIEISA-N 0 3 238.287 1.798 20 5 BDBDHN C[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035601391 358002492 /nfs/dbraw/zinc/00/24/92/358002492.db2.gz UYSITTSMCYCVPO-IUCAKERBSA-N 0 3 224.260 1.626 20 5 BDBDHN CC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029652 358064320 /nfs/dbraw/zinc/06/43/20/358064320.db2.gz RGYUCAHUZXHRLD-SECBINFHSA-N 0 3 237.259 1.579 20 5 BDBDHN C[C@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)N(C)C ZINC000436195419 201313584 /nfs/dbraw/zinc/31/35/84/201313584.db2.gz RSCJOUQCQWMOEM-MRVPVSSYSA-N 0 3 238.291 1.619 20 5 BDBDHN C[C@@H]1OCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000135310267 384434775 /nfs/dbraw/zinc/43/47/75/384434775.db2.gz NZFCKOXCSVUYPW-JOYOIKCWSA-N 0 3 236.271 1.862 20 5 BDBDHN CC[C@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000082687153 384547195 /nfs/dbraw/zinc/54/71/95/384547195.db2.gz FPEIRLCWRCYUMZ-JTQLQIEISA-N 0 3 244.316 1.907 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCOC2)c1 ZINC000109544275 385173437 /nfs/dbraw/zinc/17/34/37/385173437.db2.gz NUWGXNYIVXUKRM-LLVKDONJSA-N 0 3 236.271 1.863 20 5 BDBDHN CN(C)CCSc1ccncc1[N+](=O)[O-] ZINC000361054444 385530972 /nfs/dbraw/zinc/53/09/72/385530972.db2.gz BRYRLSPRXBLHTA-UHFFFAOYSA-N 0 3 227.289 1.644 20 5 BDBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000397830033 385717575 /nfs/dbraw/zinc/71/75/75/385717575.db2.gz CKYFMKGYHVGIAX-UHFFFAOYSA-N 0 3 236.275 1.496 20 5 BDBDHN CC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1C ZINC000291692474 385917268 /nfs/dbraw/zinc/91/72/68/385917268.db2.gz JCZOBLKJNQBBDR-LBPRGKRZSA-N 0 3 238.287 1.764 20 5 BDBDHN CCN(CCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000268025946 386771547 /nfs/dbraw/zinc/77/15/47/386771547.db2.gz SUNIMOKOBPQDDQ-JTQLQIEISA-N 0 3 238.287 1.970 20 5 BDBDHN C[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035601392 387373822 /nfs/dbraw/zinc/37/38/22/387373822.db2.gz UYSITTSMCYCVPO-BDAKNGLRSA-N 0 3 224.260 1.626 20 5 BDBDHN C[C@H](O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000227962120 388374844 /nfs/dbraw/zinc/37/48/44/388374844.db2.gz PNFZZZQNWTZZBO-JTQLQIEISA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(N2CC(N(C)C)C2)c1 ZINC000271740222 388399895 /nfs/dbraw/zinc/39/98/95/388399895.db2.gz QGGXCGXBWSEMHT-UHFFFAOYSA-N 0 3 235.287 1.653 20 5 BDBDHN Cc1c([C@H](C)NC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000131174086 388552604 /nfs/dbraw/zinc/55/26/04/388552604.db2.gz IRCWUEQIKNSBLF-SCZZXKLOSA-N 0 3 238.287 1.935 20 5 BDBDHN CC(C)[C@@H](O)CNCc1csc([N+](=O)[O-])c1 ZINC000123927723 388737513 /nfs/dbraw/zinc/73/75/13/388737513.db2.gz SHGCWCFIUXLZLO-VIFPVBQESA-N 0 3 244.316 1.763 20 5 BDBDHN CC(C)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000080789526 388713791 /nfs/dbraw/zinc/71/37/91/388713791.db2.gz IHEHWEMIUQQHJX-GFCCVEGCSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@@H]1CNCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000054374952 132233691 /nfs/dbraw/zinc/23/36/91/132233691.db2.gz PFQRJZSXRTZUIU-MRVPVSSYSA-N 0 3 239.250 1.532 20 5 BDBDHN CN1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000218041752 134251578 /nfs/dbraw/zinc/25/15/78/134251578.db2.gz UXUWPCGBEKORFK-SECBINFHSA-N 0 3 236.275 1.496 20 5 BDBDHN C[C@H](O)C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000164604299 135426855 /nfs/dbraw/zinc/42/68/55/135426855.db2.gz YBJJJBUQSIQQGF-YUMQZZPRSA-N 0 3 244.316 1.905 20 5 BDBDHN C[C@H](O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000227961836 398006206 /nfs/dbraw/zinc/00/62/06/398006206.db2.gz LVEPTFSSBFMTAI-JTQLQIEISA-N 0 3 238.287 1.845 20 5 BDBDHN COCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176766 174339784 /nfs/dbraw/zinc/33/97/84/174339784.db2.gz FUVPWQZQENREOM-SECBINFHSA-N 0 3 224.260 1.892 20 5 BDBDHN C[C@@H]1OCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000147764926 176481580 /nfs/dbraw/zinc/48/15/80/176481580.db2.gz CQBQEXWLWQKIDL-GXSJLCMTSA-N 0 3 236.271 1.862 20 5 BDBDHN C[C@@H](O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000078780270 325431378 /nfs/dbraw/zinc/43/13/78/325431378.db2.gz BDBUTAJYUUQBSD-SECBINFHSA-N 0 3 224.260 1.455 20 5 BDBDHN CCC[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102021 582580175 /nfs/dbraw/zinc/58/01/75/582580175.db2.gz NCQFERMMEZQUDG-IWSPIJDZSA-N 0 3 215.249 1.631 20 5 BDBDHN CC[C@H](C)[C@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106981 582583627 /nfs/dbraw/zinc/58/36/27/582583627.db2.gz JJXZWSXMBPCKTJ-CIUDSAMLSA-N 0 3 233.264 1.256 20 5 BDBDHN CC(COC(=O)[C@@H]1CC12CCC2)[N+](=O)[O-] ZINC000813103543 582580963 /nfs/dbraw/zinc/58/09/63/582580963.db2.gz QDYDKBXGODZSRM-YUMQZZPRSA-N 0 3 213.233 1.385 20 5 BDBDHN CO[C@](C)(C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813110753 582588537 /nfs/dbraw/zinc/58/85/37/582588537.db2.gz IRHYJXJEPRCQEZ-XVKPBYJWSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)CCC1CCOCC1)[N+](=O)[O-] ZINC000813114729 582591965 /nfs/dbraw/zinc/59/19/65/582591965.db2.gz GGXRNNUYEKVKMH-SECBINFHSA-N 0 3 245.275 1.402 20 5 BDBDHN C[C@@H](CNCC[N+](=O)[O-])N1CCc2ccccc21 ZINC000899869646 584244538 /nfs/dbraw/zinc/24/45/38/584244538.db2.gz HXDAFGIQQLUTGP-NSHDSACASA-N 0 3 249.314 1.304 20 5 BDBDHN C[C@@H](Cc1ccccc1F)NCC[N+](=O)[O-] ZINC000899873789 584245105 /nfs/dbraw/zinc/24/51/05/584245105.db2.gz UNEHSQSUUIRQOS-VIFPVBQESA-N 0 3 226.251 1.623 20 5 BDBDHN C[C@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000899874066 584245402 /nfs/dbraw/zinc/24/54/02/584245402.db2.gz YMXRSXUKHWJETK-SECBINFHSA-N 0 3 226.251 1.796 20 5 BDBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000838965523 585082537 /nfs/dbraw/zinc/08/25/37/585082537.db2.gz SMBLZMMJYFBODQ-SECBINFHSA-N 0 3 245.275 1.402 20 5 BDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3C[C@H]32)c1 ZINC000761098945 585409242 /nfs/dbraw/zinc/40/92/42/585409242.db2.gz XEANUIGTBHDPDN-ZWKOPEQDSA-N 0 3 248.282 1.722 20 5 BDBDHN CCSCC[C@H](C)N(C)CC[N+](=O)[O-] ZINC000798197246 586140200 /nfs/dbraw/zinc/14/02/00/586140200.db2.gz PWWUGCQOFFRKNZ-VIFPVBQESA-N 0 3 220.338 1.727 20 5 BDBDHN CO[C@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103410 586591889 /nfs/dbraw/zinc/59/18/89/586591889.db2.gz PXQQCBPYVRFXGN-JGVFFNPUSA-N 0 3 219.237 1.010 20 5 BDBDHN CCc1ocnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813102280 586591979 /nfs/dbraw/zinc/59/19/79/586591979.db2.gz DCGUVLIZGOPMPL-LURJTMIESA-N 0 3 228.204 1.059 20 5 BDBDHN CC(COC(=O)[C@H](C)C(C)(C)C)[N+](=O)[O-] ZINC000813103113 586592002 /nfs/dbraw/zinc/59/20/02/586592002.db2.gz OBSSBTPPYOSMOV-SFYZADRCSA-N 0 3 217.265 1.877 20 5 BDBDHN CC(COC(=O)c1coc(C2CC2)n1)[N+](=O)[O-] ZINC000813103348 586592018 /nfs/dbraw/zinc/59/20/18/586592018.db2.gz OYTZDWIRFWXUOK-ZCFIWIBFSA-N 0 3 240.215 1.374 20 5 BDBDHN CC(COC(=O)CC[C@H]1CCOC1)[N+](=O)[O-] ZINC000813102387 586592121 /nfs/dbraw/zinc/59/21/21/586592121.db2.gz QUVHMOCRRKSXHW-BDAKNGLRSA-N 0 3 231.248 1.012 20 5 BDBDHN CC(COC(=O)[C@H]1CCCSC1)[N+](=O)[O-] ZINC000813102060 586592224 /nfs/dbraw/zinc/59/22/24/586592224.db2.gz AKDBUAULSWZIIS-SFYZADRCSA-N 0 3 233.289 1.338 20 5 BDBDHN CCCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813107346 586592657 /nfs/dbraw/zinc/59/26/57/586592657.db2.gz PJLIDJXGCMQXCO-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813107553 586592870 /nfs/dbraw/zinc/59/28/70/586592870.db2.gz SVFDTPJMBOXQFG-MRVPVSSYSA-N 0 3 215.249 1.775 20 5 BDBDHN CC(COC(=O)CCCC(F)(F)F)[N+](=O)[O-] ZINC000813106232 586592967 /nfs/dbraw/zinc/59/29/67/586592967.db2.gz BBAPEJQRFWULHD-LURJTMIESA-N 0 3 243.181 1.927 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108679 586593147 /nfs/dbraw/zinc/59/31/47/586593147.db2.gz JQWNZOOBAOPRMO-VIFPVBQESA-N 0 3 223.228 1.817 20 5 BDBDHN CC(COC(=O)[C@H]1CCC(=O)[C@H](C)C1)[N+](=O)[O-] ZINC000813109880 586593185 /nfs/dbraw/zinc/59/31/85/586593185.db2.gz PVMVBGSMSGAQJT-VGMNWLOBSA-N 0 3 243.259 1.200 20 5 BDBDHN CC[C@@H](SC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110268 586593215 /nfs/dbraw/zinc/59/32/15/586593215.db2.gz WDERPOVNJLQQAG-RNFRBKRXSA-N 0 3 221.278 1.336 20 5 BDBDHN CC[C@H](SC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110266 586593297 /nfs/dbraw/zinc/59/32/97/586593297.db2.gz WDERPOVNJLQQAG-BQBZGAKWSA-N 0 3 221.278 1.336 20 5 BDBDHN CC(COC(=O)COC1CCCCC1)[N+](=O)[O-] ZINC000813108970 586593367 /nfs/dbraw/zinc/59/33/67/586593367.db2.gz NELWAVXLIJYVEP-SECBINFHSA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)[C@H](C)C1CC1)[N+](=O)[O-] ZINC000813111203 586593431 /nfs/dbraw/zinc/59/34/31/586593431.db2.gz QITKZVSJLXETFD-RNFRBKRXSA-N 0 3 201.222 1.241 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110301 586593489 /nfs/dbraw/zinc/59/34/89/586593489.db2.gz WVEZDYBTOSCFSS-SNVBAGLBSA-N 0 3 237.255 1.746 20 5 BDBDHN CC(COC(=O)C1CCSCC1)[N+](=O)[O-] ZINC000813110610 586593501 /nfs/dbraw/zinc/59/35/01/586593501.db2.gz FPVGFNFYIOZVIZ-SSDOTTSWSA-N 0 3 233.289 1.338 20 5 BDBDHN CC(COC(=O)C(C)(C)C1CC1)[N+](=O)[O-] ZINC000813111138 586593756 /nfs/dbraw/zinc/59/37/56/586593756.db2.gz OKIDZJZNXOMQFY-SSDOTTSWSA-N 0 3 215.249 1.631 20 5 BDBDHN Cc1ccc([C@@H](C)C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813114671 586593917 /nfs/dbraw/zinc/59/39/17/586593917.db2.gz FOCNVAFJOSIEHX-IONNQARKSA-N 0 3 241.243 1.900 20 5 BDBDHN CCCCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113308 586593990 /nfs/dbraw/zinc/59/39/90/586593990.db2.gz PKCOPAVNEMVNGY-RKDXNWHRSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)C1(c2ccccc2)CC1)[N+](=O)[O-] ZINC000813113609 586594040 /nfs/dbraw/zinc/59/40/40/586594040.db2.gz HAHBWPKJSLRXLY-SNVBAGLBSA-N 0 3 249.266 1.927 20 5 BDBDHN CC(COC(=O)[C@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813115317 586594224 /nfs/dbraw/zinc/59/42/24/586594224.db2.gz OVQKIELFAPFMJY-VGMNWLOBSA-N 0 3 215.249 1.631 20 5 BDBDHN Cc1ccccc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813115721 586594386 /nfs/dbraw/zinc/59/43/86/586594386.db2.gz YRDZPWMKGDQCJP-SNVBAGLBSA-N 0 3 237.255 1.746 20 5 BDBDHN CO[C@@H]1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000816090992 586707599 /nfs/dbraw/zinc/70/75/99/586707599.db2.gz GVRQWZVIQWIRPC-OPRDCNLKSA-N 0 3 245.275 1.400 20 5 BDBDHN Cc1nn(CCN2CCCC2)cc1[N+](=O)[O-] ZINC000829595358 587505383 /nfs/dbraw/zinc/50/53/83/587505383.db2.gz FFLOWMMTNRKGLT-UHFFFAOYSA-N 0 3 224.264 1.196 20 5 BDBDHN CC(COC(=O)C1(C(F)F)CC1)[N+](=O)[O-] ZINC000842801531 588064904 /nfs/dbraw/zinc/06/49/04/588064904.db2.gz JZTCPHKLOKIUBA-YFKPBYRVSA-N 0 3 223.175 1.240 20 5 BDBDHN CC(COC(=O)c1ncccc1F)[N+](=O)[O-] ZINC000851037387 588585843 /nfs/dbraw/zinc/58/58/43/588585843.db2.gz UQODXVQKXKSATP-ZCFIWIBFSA-N 0 3 228.179 1.043 20 5 BDBDHN CC(COC(=O)[C@H](C)Cc1ccco1)[N+](=O)[O-] ZINC000851037005 588585885 /nfs/dbraw/zinc/58/58/85/588585885.db2.gz PLJDMRBVCOIOIB-RKDXNWHRSA-N 0 3 241.243 1.667 20 5 BDBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CCCC1 ZINC000851037579 588585997 /nfs/dbraw/zinc/58/59/97/588585997.db2.gz WZZVPTNCSVZMPI-WPRPVWTQSA-N 0 3 245.275 1.400 20 5 BDBDHN CC(COC(=O)[C@H]1C[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000851037633 588586020 /nfs/dbraw/zinc/58/60/20/588586020.db2.gz YLRHGMSIGQVPEL-RBXMUDONSA-N 0 3 213.233 1.241 20 5 BDBDHN CCC[C@H](OCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777898 589119439 /nfs/dbraw/zinc/11/94/39/589119439.db2.gz YQWFGPAHPLZCMR-IUCAKERBSA-N 0 3 233.264 1.400 20 5 BDBDHN CC(COC(=O)C[C@H](C)C(F)(F)F)[N+](=O)[O-] ZINC000860777062 589119497 /nfs/dbraw/zinc/11/94/97/589119497.db2.gz KBAMDDKCMOTZIQ-NTSWFWBYSA-N 0 3 243.181 1.783 20 5 BDBDHN C[C@@H](CNCC[N+](=O)[O-])N(C)c1ccccc1 ZINC000905050665 637568306 /nfs/dbraw/zinc/56/83/06/637568306.db2.gz WENZAVYGHONBMY-NSHDSACASA-N 0 3 237.303 1.378 20 5 BDBDHN CC[C@H](COCC(F)(F)F)NCC[N+](=O)[O-] ZINC000905272580 637732409 /nfs/dbraw/zinc/73/24/09/637732409.db2.gz HSHRVAVUIFUDJO-SSDOTTSWSA-N 0 3 244.213 1.210 20 5 BDBDHN CC[C@@H](CNCC[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000905558511 637846649 /nfs/dbraw/zinc/84/66/49/637846649.db2.gz RUBLYXFIIOCCEL-VIFPVBQESA-N 0 3 246.307 1.221 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@H](CCF)C1 ZINC000931015600 640020568 /nfs/dbraw/zinc/02/05/68/640020568.db2.gz RGHSFDAFIJTRFS-SECBINFHSA-N 0 3 204.245 1.335 20 5 BDBDHN CC(C)[C@]1(C)C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107051 643395410 /nfs/dbraw/zinc/39/54/10/643395410.db2.gz LEPAXVLXRCKJCY-KKZNHRDASA-N 0 3 229.276 1.877 20 5 BDBDHN CCC(=CC(=O)OCC(C)[N+](=O)[O-])CC ZINC000813115580 643415442 /nfs/dbraw/zinc/41/54/42/643415442.db2.gz VWZGJKIBWQDHHU-QMMMGPOBSA-N 0 3 215.249 1.941 20 5 BDBDHN CC(C)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929719306 646271711 /nfs/dbraw/zinc/27/17/11/646271711.db2.gz MXXYPXGFDMUOPC-UHFFFAOYSA-N 0 3 200.282 1.631 20 5 BDBDHN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)CO1 ZINC001169035863 969355844 /nfs/dbraw/zinc/35/58/44/969355844.db2.gz DOSKTSLADQMSIV-DDHJBXDOSA-N 0 3 242.319 1.541 20 5 BDBDHN Cc1cc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)no1 ZINC001168963609 969316376 /nfs/dbraw/zinc/31/63/76/969316376.db2.gz PAFBGVOFEMWTIQ-ZJUUUORDSA-N 0 3 239.275 1.518 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC[C@@H](F)C2)C1 ZINC001169023894 969365900 /nfs/dbraw/zinc/36/59/00/969365900.db2.gz GHSQPLIEQBPOJT-IVZWLZJFSA-N 0 3 216.256 1.476 20 5 BDBDHN C[C@@H](C[NH+](C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333572 974862899 /nfs/dbraw/zinc/86/28/99/974862899.db2.gz MILVCKHPXSMFGB-QMMMGPOBSA-N 0 3 240.259 1.629 20 5 BDBDHN CC(C)C[C@H]1OCCC[C@H]1NCC[N+](=O)[O-] ZINC001334722961 976601259 /nfs/dbraw/zinc/60/12/59/976601259.db2.gz GHJFZVFHRORWCU-GHMZBOCLSA-N 0 3 230.308 1.446 20 5 BDBDHN Cc1cc(NC(=O)[C@H](C)N)cc([N+](=O)[O-])c1 ZINC001263329260 993232526 /nfs/dbraw/zinc/23/25/26/993232526.db2.gz AVDAXAVOLHEQSD-ZETCQYMHSA-N 0 3 223.232 1.189 20 5 BDBDHN Cc1ccc(CN[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000037258317 361784657 /nfs/dbraw/zinc/78/46/57/361784657.db2.gz CTINPSMKNCXUQL-VIFPVBQESA-N 0 3 224.260 1.374 20 5 BDBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](C)O ZINC000187823770 178270921 /nfs/dbraw/zinc/27/09/21/178270921.db2.gz JYZZTKGBHAMDMD-SNVBAGLBSA-N 0 3 238.287 1.716 20 5 BDBDHN CN(C)CCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000080684604 345430317 /nfs/dbraw/zinc/43/03/17/345430317.db2.gz SMTJNGVNJDNAQI-UHFFFAOYSA-N 0 3 241.266 1.732 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1NCCN(C)C ZINC000125711700 179206427 /nfs/dbraw/zinc/20/64/27/179206427.db2.gz CRXUTGJHGGLXGI-UHFFFAOYSA-N 0 3 223.276 1.877 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2C[C@@H](O)C2)cc1 ZINC000599006436 349074656 /nfs/dbraw/zinc/07/46/56/349074656.db2.gz IDCAHSLAAQCHFC-KLPPZKSPSA-N 0 3 236.271 1.455 20 5 BDBDHN COCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000211422125 352732024 /nfs/dbraw/zinc/73/20/24/352732024.db2.gz BWSFVWHOZUJWJN-XQRVVYSFSA-N 0 3 236.271 1.844 20 5 BDBDHN Cc1nc(SCCN(C)C)ncc1[N+](=O)[O-] ZINC000450378413 202147368 /nfs/dbraw/zinc/14/73/68/202147368.db2.gz LCCZHFXEYPRTPI-UHFFFAOYSA-N 0 3 242.304 1.347 20 5 BDBDHN O=[N+]([O-])c1cncc(Cl)c1N1CCNCC1 ZINC000304411051 371786987 /nfs/dbraw/zinc/78/69/87/371786987.db2.gz XZVLNUFHVGJZAL-UHFFFAOYSA-N 0 3 242.666 1.053 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]1O ZINC000050015792 383888791 /nfs/dbraw/zinc/88/87/91/383888791.db2.gz KIJRJZWBTILLGU-PWSUYJOCSA-N 0 3 236.271 1.598 20 5 BDBDHN Cc1ccnc(NCCN(C)C)c1[N+](=O)[O-] ZINC000070062613 384217743 /nfs/dbraw/zinc/21/77/43/384217743.db2.gz CKPDZSBJCLIGJC-UHFFFAOYSA-N 0 3 224.264 1.272 20 5 BDBDHN CCN(CCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000045914842 384415910 /nfs/dbraw/zinc/41/59/10/384415910.db2.gz OZSBCPVGUFONFU-UHFFFAOYSA-N 0 3 238.287 1.799 20 5 BDBDHN CC(C)[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000086120656 385695363 /nfs/dbraw/zinc/69/53/63/385695363.db2.gz ADMWYFWLVZFLMK-SECBINFHSA-N 0 3 244.316 1.763 20 5 BDBDHN CCN(CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000183227705 386386622 /nfs/dbraw/zinc/38/66/22/386386622.db2.gz OHBZFPGRCCSCSL-UHFFFAOYSA-N 0 3 238.287 1.717 20 5 BDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCC[C@@H]2O)c1 ZINC000052926367 386372142 /nfs/dbraw/zinc/37/21/42/386372142.db2.gz RWPRAYQJJGDINS-RYUDHWBXSA-N 0 3 236.271 1.598 20 5 BDBDHN COc1ccc([N+](=O)[O-])c(NCCN(C)C)c1 ZINC000142319543 386709813 /nfs/dbraw/zinc/70/98/13/386709813.db2.gz FSGGKIJVNRSZIO-UHFFFAOYSA-N 0 3 239.275 1.577 20 5 BDBDHN Cc1ccc([C@@H](C)NC[C@H](C)O)cc1[N+](=O)[O-] ZINC000035601517 387374249 /nfs/dbraw/zinc/37/42/49/387374249.db2.gz MVGJGGWDRYAATG-VHSXEESVSA-N 0 3 238.287 1.935 20 5 BDBDHN CC(C)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394590 388720063 /nfs/dbraw/zinc/72/00/63/388720063.db2.gz UPWINEXVZHVIJI-SNVBAGLBSA-N 0 3 238.291 1.837 20 5 BDBDHN Cc1cn(CCN2CCCCC2)nc1[N+](=O)[O-] ZINC000281182150 388794315 /nfs/dbraw/zinc/79/43/15/388794315.db2.gz NPROZIRYYLQRAF-UHFFFAOYSA-N 0 3 238.291 1.586 20 5 BDBDHN CN(CCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000281987851 388810115 /nfs/dbraw/zinc/81/01/15/388810115.db2.gz WRJWDTPSDWPKIA-UHFFFAOYSA-N 0 3 238.287 1.452 20 5 BDBDHN C[C@H](NCCCO)c1ccccc1[N+](=O)[O-] ZINC000020526249 388774577 /nfs/dbraw/zinc/77/45/77/388774577.db2.gz PLOVOEISOLGNAK-VIFPVBQESA-N 0 3 224.260 1.628 20 5 BDBDHN Cc1cccc([N+](=O)[O-])c1N1CCN[C@H](C)C1 ZINC000122696223 132227874 /nfs/dbraw/zinc/22/78/74/132227874.db2.gz FULVWBBIIAOWKT-SNVBAGLBSA-N 0 3 235.287 1.701 20 5 BDBDHN Cc1ccnc(N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495722 132231363 /nfs/dbraw/zinc/23/13/63/132231363.db2.gz MYWYWSWIRZJEMK-VIFPVBQESA-N 0 3 236.275 1.096 20 5 BDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H](C)N1 ZINC000053711730 132363347 /nfs/dbraw/zinc/36/33/47/132363347.db2.gz HXPQUXMNBYQXJB-DTORHVGOSA-N 0 3 236.275 1.176 20 5 BDBDHN Cc1cc(N2CCNC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000054374906 132364407 /nfs/dbraw/zinc/36/44/07/132364407.db2.gz NOIPOSNAVACITB-JTQLQIEISA-N 0 3 235.287 1.701 20 5 BDBDHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000227526381 134382914 /nfs/dbraw/zinc/38/29/14/134382914.db2.gz YLLWKTPLRDWJFV-SNVBAGLBSA-N 0 3 236.275 1.496 20 5 BDBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000087129382 135107994 /nfs/dbraw/zinc/10/79/94/135107994.db2.gz PROVGHWHUYXLJI-BDAKNGLRSA-N 0 3 224.260 1.454 20 5 BDBDHN O=[N+]([O-])c1cnccc1N[C@H]1CCN(C2CC2)C1 ZINC000044725864 411140039 /nfs/dbraw/zinc/14/00/39/411140039.db2.gz ZSLSZGYQTOVZIP-VIFPVBQESA-N 0 3 248.286 1.638 20 5 BDBDHN CC1(CNCc2csc([N+](=O)[O-])c2)COC1 ZINC000082694293 168044357 /nfs/dbraw/zinc/04/43/57/168044357.db2.gz KAZOWGVRVWSETQ-UHFFFAOYSA-N 0 3 242.300 1.782 20 5 BDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000489424512 411581678 /nfs/dbraw/zinc/58/16/78/411581678.db2.gz LDMXNVGJIXXLML-JTQLQIEISA-N 0 3 238.291 1.522 20 5 BDBDHN C[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000035601394 175982414 /nfs/dbraw/zinc/98/24/14/175982414.db2.gz UYSITTSMCYCVPO-RKDXNWHRSA-N 0 3 224.260 1.626 20 5 BDBDHN CC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000096478887 322957864 /nfs/dbraw/zinc/95/78/64/322957864.db2.gz AHSJIRYDXRAHDE-GFCCVEGCSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCO ZINC000151738923 323025601 /nfs/dbraw/zinc/02/56/01/323025601.db2.gz OYDAYNDBHKLUPB-SNVBAGLBSA-N 0 3 238.287 1.936 20 5 BDBDHN CN1C[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000893940409 583255209 /nfs/dbraw/zinc/25/52/09/583255209.db2.gz OHWMBLKFPAERRD-MWLCHTKSSA-N 0 3 248.286 1.130 20 5 BDBDHN C[C@@H]1CCCC[C@H]1N(C)CC[N+](=O)[O-] ZINC000798198022 586140435 /nfs/dbraw/zinc/14/04/35/586140435.db2.gz XYECIZFGEBOKAT-NXEZZACHSA-N 0 3 200.282 1.774 20 5 BDBDHN CCOC1CC(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000813102406 586591887 /nfs/dbraw/zinc/59/18/87/586591887.db2.gz RBLFFOGIGRLNTC-UEJVZZJDSA-N 0 3 231.248 1.010 20 5 BDBDHN CO[C@@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813103412 586591917 /nfs/dbraw/zinc/59/19/17/586591917.db2.gz PXQQCBPYVRFXGN-YUMQZZPRSA-N 0 3 219.237 1.010 20 5 BDBDHN CC(COC(=O)C[C@H]1C=CCC1)[N+](=O)[O-] ZINC000813101510 586592010 /nfs/dbraw/zinc/59/20/10/586592010.db2.gz CEILSLILODCVRL-BDAKNGLRSA-N 0 3 213.233 1.551 20 5 BDBDHN CC(COC(=O)[C@@H]1CCCSC1)[N+](=O)[O-] ZINC000813102058 586592232 /nfs/dbraw/zinc/59/22/32/586592232.db2.gz AKDBUAULSWZIIS-HTQZYQBOSA-N 0 3 233.289 1.338 20 5 BDBDHN CC(COC(=O)[C@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813104688 586592312 /nfs/dbraw/zinc/59/23/12/586592312.db2.gz PXNRKJLYCWDCOH-VHSXEESVSA-N 0 3 237.255 1.999 20 5 BDBDHN CC(COC(=O)[C@@H](F)c1ccccc1)[N+](=O)[O-] ZINC000813105977 586592617 /nfs/dbraw/zinc/59/26/17/586592617.db2.gz WWRZMKSASYRTCB-SCZZXKLOSA-N 0 3 241.218 1.906 20 5 BDBDHN CCC/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000813106257 586592651 /nfs/dbraw/zinc/59/26/51/586592651.db2.gz BNZOSUOXISUSLA-JGAIRUGNSA-N 0 3 215.249 1.941 20 5 BDBDHN CSC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106824 586592671 /nfs/dbraw/zinc/59/26/71/586592671.db2.gz IJDKZJNKDPTTEP-NKWVEPMBSA-N 0 3 221.278 1.194 20 5 BDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1F ZINC000813107170 586592737 /nfs/dbraw/zinc/59/27/37/586592737.db2.gz LJAPFAZOIIXMEQ-QMMMGPOBSA-N 0 3 241.218 1.956 20 5 BDBDHN CC(COC(=O)/C=C\C(C)(C)C)[N+](=O)[O-] ZINC000813106635 586592760 /nfs/dbraw/zinc/59/27/60/586592760.db2.gz FLMCLRQTHULAOB-RPSMYOMKSA-N 0 3 215.249 1.797 20 5 BDBDHN CC(COC(=O)CCC(F)F)[N+](=O)[O-] ZINC000813106527 586592898 /nfs/dbraw/zinc/59/28/98/586592898.db2.gz DYGIJQXQFACQGM-RXMQYKEDSA-N 0 3 211.164 1.240 20 5 BDBDHN CCc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109803 586593137 /nfs/dbraw/zinc/59/31/37/586593137.db2.gz PDGBXVGRCSVRMN-MRVPVSSYSA-N 0 3 238.243 1.466 20 5 BDBDHN CC(COC(=O)COC1CCCCC1)[N+](=O)[O-] ZINC000813108971 586593223 /nfs/dbraw/zinc/59/32/23/586593223.db2.gz NELWAVXLIJYVEP-VIFPVBQESA-N 0 3 245.275 1.544 20 5 BDBDHN CC(COC(=O)CC[C@H]1CC[C@@H](C)O1)[N+](=O)[O-] ZINC000813111439 586593503 /nfs/dbraw/zinc/59/35/03/586593503.db2.gz HFMUPOKUEJONEC-OPRDCNLKSA-N 0 3 245.275 1.543 20 5 BDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])ccn1C ZINC000813110741 586593681 /nfs/dbraw/zinc/59/36/81/586593681.db2.gz IMLDIRUUQDOEKY-SSDOTTSWSA-N 0 3 226.232 1.156 20 5 BDBDHN CC(COC(=O)C=C(C1CC1)C1CC1)[N+](=O)[O-] ZINC000813114298 586593858 /nfs/dbraw/zinc/59/38/58/586593858.db2.gz PDALZLFFKXQTCZ-MRVPVSSYSA-N 0 3 239.271 1.941 20 5 BDBDHN CC(COC(=O)c1ccccc1F)[N+](=O)[O-] ZINC000813112943 586594113 /nfs/dbraw/zinc/59/41/13/586594113.db2.gz MJXSRMKFDZQAQJ-ZETCQYMHSA-N 0 3 227.191 1.648 20 5 BDBDHN CC(COC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813112817 586594135 /nfs/dbraw/zinc/59/41/35/586594135.db2.gz LXUJDECZGVFDEU-ZETCQYMHSA-N 0 3 203.238 1.631 20 5 BDBDHN CSCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115150 586594198 /nfs/dbraw/zinc/59/41/98/586594198.db2.gz LGTGRCXBIPZFDX-SSDOTTSWSA-N 0 3 221.278 1.338 20 5 BDBDHN CC(COC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000816091522 586707553 /nfs/dbraw/zinc/70/75/53/586707553.db2.gz AFRZYXPIIFCFGW-SDNRWEOFSA-N 0 3 227.260 1.631 20 5 BDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000835453792 587802804 /nfs/dbraw/zinc/80/28/04/587802804.db2.gz GOMFRJZPMJEOBI-VIFPVBQESA-N 0 3 238.243 1.141 20 5 BDBDHN CC/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000835457692 587803249 /nfs/dbraw/zinc/80/32/49/587803249.db2.gz YYUWZCYXYABCBS-WVXIBAHESA-N 0 3 201.222 1.551 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1C ZINC000842363309 588021272 /nfs/dbraw/zinc/02/12/72/588021272.db2.gz FNZXLVPQFGQGHQ-MRVPVSSYSA-N 0 3 238.243 1.520 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1C ZINC000842363310 588021533 /nfs/dbraw/zinc/02/15/33/588021533.db2.gz FNZXLVPQFGQGHQ-QMMMGPOBSA-N 0 3 238.243 1.520 20 5 BDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)N)CC2 ZINC000843495838 588115472 /nfs/dbraw/zinc/11/54/72/588115472.db2.gz WQGNQCSOLGPWCS-MRVPVSSYSA-N 0 3 249.270 1.140 20 5 BDBDHN CC(COC(=O)C[C@@H](C)n1ccnc1)[N+](=O)[O-] ZINC000845577044 588233810 /nfs/dbraw/zinc/23/38/10/588233810.db2.gz QZSWKPBNJDMWII-BDAKNGLRSA-N 0 3 241.247 1.043 20 5 BDBDHN CSCC1(CC(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000845577015 588233939 /nfs/dbraw/zinc/23/39/39/588233939.db2.gz QGJSKFSGIONMKW-QMMMGPOBSA-N 0 3 247.316 1.728 20 5 BDBDHN CC(COC(=O)c1ncccc1F)[N+](=O)[O-] ZINC000851037386 588585796 /nfs/dbraw/zinc/58/57/96/588585796.db2.gz UQODXVQKXKSATP-LURJTMIESA-N 0 3 228.179 1.043 20 5 BDBDHN CO[C@@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000851037136 588586082 /nfs/dbraw/zinc/58/60/82/588586082.db2.gz QGUMRAMEGZXHTF-HRDYMLBCSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(C)c1nocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860777212 589119410 /nfs/dbraw/zinc/11/94/10/589119410.db2.gz MJNRPVPBLOLNDV-ZETCQYMHSA-N 0 3 242.231 1.620 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCO ZINC000873007883 589978640 /nfs/dbraw/zinc/97/86/40/589978640.db2.gz JJFARYYNOPOYJH-UHFFFAOYSA-N 0 3 224.260 1.294 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCO ZINC000876526110 590208177 /nfs/dbraw/zinc/20/81/77/590208177.db2.gz SQWKVSSWXGNDLZ-UHFFFAOYSA-N 0 3 238.287 1.636 20 5 BDBDHN C[C@@H](CNc1ccnc(F)c1[N+](=O)[O-])N(C)C ZINC000881848822 591274589 /nfs/dbraw/zinc/27/45/89/591274589.db2.gz BCSIZYXVRCRCHU-ZETCQYMHSA-N 0 3 242.254 1.491 20 5 BDBDHN Cc1ccc(OCCCNCC[N+](=O)[O-])cc1 ZINC000905080254 637580376 /nfs/dbraw/zinc/58/03/76/637580376.db2.gz LTXRGLRXYYSOIH-UHFFFAOYSA-N 0 3 238.287 1.630 20 5 BDBDHN CCC(CC)(CNCC[N+](=O)[O-])OC ZINC000905260129 637716258 /nfs/dbraw/zinc/71/62/58/637716258.db2.gz BAIGXZAHYZNDJP-UHFFFAOYSA-N 0 3 204.270 1.058 20 5 BDBDHN O=[N+]([O-])CCN1CCCc2ccccc2CC1 ZINC000930648660 639842578 /nfs/dbraw/zinc/84/25/78/639842578.db2.gz WZWDMPQXIBPPBA-UHFFFAOYSA-N 0 3 234.299 1.754 20 5 BDBDHN O=[N+]([O-])CCN1CCC[C@@H](C2CCOCC2)C1 ZINC000933089781 640667355 /nfs/dbraw/zinc/66/73/55/640667355.db2.gz WKKPOZIVTMFELU-GFCCVEGCSA-N 0 3 242.319 1.402 20 5 BDBDHN C[C@@H]1CSCCCN1CC[N+](=O)[O-] ZINC000934294288 641117776 /nfs/dbraw/zinc/11/77/76/641117776.db2.gz GQVJECFAEIJVTE-MRVPVSSYSA-N 0 3 204.295 1.091 20 5 BDBDHN C[C@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185279783 643284432 /nfs/dbraw/zinc/28/44/32/643284432.db2.gz ZAOSWTQFBZNEOT-SSDOTTSWSA-N 0 3 244.678 1.719 20 5 BDBDHN C[C@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185309646 643290167 /nfs/dbraw/zinc/29/01/67/643290167.db2.gz OSTRXZRFQLKOQT-ZETCQYMHSA-N 0 3 244.678 1.719 20 5 BDBDHN C[C@H]1[C@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000719575842 712812061 /nfs/dbraw/zinc/81/20/61/712812061.db2.gz QOUOXKRUYOKRTI-DTWKUNHWSA-N 0 3 236.275 1.494 20 5 BDBDHN CC1(C)CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169008014 969332448 /nfs/dbraw/zinc/33/24/48/969332448.db2.gz QOWIVCVPTMKNEY-WDEREUQCSA-N 0 3 242.319 1.543 20 5 BDBDHN COc1cccc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001162302415 964916454 /nfs/dbraw/zinc/91/64/54/964916454.db2.gz QLOLRJNWEOSYMW-UHFFFAOYSA-N 0 3 248.242 1.248 20 5 BDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cscn2)C1 ZINC001168956225 969303575 /nfs/dbraw/zinc/30/35/75/969303575.db2.gz AJNHZIQIGIDYFJ-IUCAKERBSA-N 0 3 241.316 1.678 20 5 BDBDHN C[C@H](N)c1nccn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956868 969307271 /nfs/dbraw/zinc/30/72/71/969307271.db2.gz CIMYLZXTYANERM-GUBZILKMSA-N 0 3 238.291 1.521 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@@H](F)C2)C1 ZINC001169010931 969337957 /nfs/dbraw/zinc/33/79/57/969337957.db2.gz GHSQPLIEQBPOJT-BBBLOLIVSA-N 0 3 216.256 1.476 20 5 BDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC[C@H](F)C2)C1 ZINC001169010934 969338806 /nfs/dbraw/zinc/33/88/06/969338806.db2.gz GHSQPLIEQBPOJT-UTLUCORTSA-N 0 3 216.256 1.476 20 5 BDBDHN CC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581746 969740308 /nfs/dbraw/zinc/74/03/08/969740308.db2.gz LYHVIXPHVQZKRG-NSHDSACASA-N 0 3 234.255 1.241 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC=CC1)C2 ZINC001254599706 969745783 /nfs/dbraw/zinc/74/57/83/969745783.db2.gz PCULSALKRVTAAS-ZDUSSCGKSA-N 0 3 230.267 1.934 20 5 BDBDHN CCc1nc(O[C@H](C)C[N+](C)(C)C)cc(=O)[n-]1 ZINC001226475951 974922680 /nfs/dbraw/zinc/92/26/80/974922680.db2.gz PAGAPDSGPCPSIF-SECBINFHSA-O 0 3 240.327 1.218 20 5 BDBDHN Cc1cc(O[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC001226840089 975113675 /nfs/dbraw/zinc/11/36/75/975113675.db2.gz CCEDFXGBDVFLIN-NSHDSACASA-N 0 3 236.271 1.986 20 5 BDBDHN C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983921 975828327 /nfs/dbraw/zinc/82/83/27/975828327.db2.gz WKVUJNMZJBEQTF-QMMMGPOBSA-O 0 3 245.730 1.914 20 5 BDBDHN CCN1CC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227988089 975833304 /nfs/dbraw/zinc/83/33/04/975833304.db2.gz NQEAPIKQZPVFJN-SNVBAGLBSA-N 0 3 237.259 1.463 20 5 BDBDHN C[C@H](c1ccccc1)[C@H](CO)NCC[N+](=O)[O-] ZINC001335222813 976889942 /nfs/dbraw/zinc/88/99/42/976889942.db2.gz SCWMLWKWMZLFDG-PWSUYJOCSA-N 0 3 238.287 1.017 20 5 BDBDHN Cc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC001336295317 977622092 /nfs/dbraw/zinc/62/20/92/977622092.db2.gz NWCGOZAVYJVKFB-UHFFFAOYSA-N 0 3 208.261 1.404 20 5 BDBDHN CC(COC(=O)[C@@H]1CCO[C@H]1C1CC1)[N+](=O)[O-] ZINC001346122485 980760982 /nfs/dbraw/zinc/76/09/82/980760982.db2.gz AXYXLKYUZNGPAM-SFGNSQDASA-N 0 3 243.259 1.010 20 5 BDBDHN Cc1cc(SCCN(C)C)ncc1[N+](=O)[O-] ZINC001458251101 985283078 /nfs/dbraw/zinc/28/30/78/985283078.db2.gz FLTUKNYLMNLTEP-UHFFFAOYSA-N 0 3 241.316 1.952 20 5 BDBDHN C[C@@H]1CC[C@@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC001119805214 989411481 /nfs/dbraw/zinc/41/14/81/989411481.db2.gz GVJKIHQPJBOJJI-GHMZBOCLSA-N 0 3 212.293 1.775 20 5 BDBDHN O=[N+]([O-])c1ncccc1N[C@@H]1CCN(C2CC2)C1 ZINC000134403299 342826140 /nfs/dbraw/zinc/82/61/40/342826140.db2.gz OEUMIQWYPWWFFZ-SECBINFHSA-N 0 3 248.286 1.638 20 5 BDBDHN CN(C)CCSCc1c([N+](=O)[O-])ncn1C ZINC000330470593 398316092 /nfs/dbraw/zinc/31/60/92/398316092.db2.gz WEWOZCTZXASCSB-UHFFFAOYSA-N 0 3 244.320 1.123 20 5 BDBDHN CN(C)CCN(C)c1ccccc1[N+](=O)[O-] ZINC000114520364 344688646 /nfs/dbraw/zinc/68/86/46/344688646.db2.gz IBVCYOSJVSHYOI-UHFFFAOYSA-N 0 3 223.276 1.593 20 5 BDBDHN CN[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000574890442 345135139 /nfs/dbraw/zinc/13/51/39/345135139.db2.gz ZHYMFCCRRRQSCN-QMMMGPOBSA-N 0 3 249.270 1.092 20 5 BDBDHN CN1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000590719050 347500788 /nfs/dbraw/zinc/50/07/88/347500788.db2.gz IJAUJYJFIPQDRA-KOLCDFICSA-N 0 3 248.286 1.130 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCOC1 ZINC000594502481 348064083 /nfs/dbraw/zinc/06/40/83/348064083.db2.gz OLHBYKXRMFYIQE-JOYOIKCWSA-N 0 3 248.282 1.961 20 5 BDBDHN C[C@@H](NC/C=C\CO)c1cccc([N+](=O)[O-])c1 ZINC000595073202 348188766 /nfs/dbraw/zinc/18/87/66/348188766.db2.gz SZXGTYPUNLCOHV-MXQLGCADSA-N 0 3 236.271 1.794 20 5 BDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1C[C@H](O)C1 ZINC000595102884 348195821 /nfs/dbraw/zinc/19/58/21/348195821.db2.gz KEMQYOVFKJGXOM-KBVBSXBZSA-N 0 3 248.282 1.695 20 5 BDBDHN CO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599016861 349082077 /nfs/dbraw/zinc/08/20/77/349082077.db2.gz VJIIWCWIYQWZLO-UMSPYCQHSA-N 0 3 236.271 1.862 20 5 BDBDHN O=[N+]([O-])c1cccc(CNCCN2CCCC2)c1 ZINC000020127022 363002061 /nfs/dbraw/zinc/00/20/61/363002061.db2.gz CCHZISJXWOOSMD-UHFFFAOYSA-N 0 3 249.314 1.780 20 5 BDBDHN O=[N+]([O-])c1cnn(CCN2CCCCC2)c1 ZINC000073529018 352365688 /nfs/dbraw/zinc/36/56/88/352365688.db2.gz SEESFHOWVXCXII-UHFFFAOYSA-N 0 3 224.264 1.277 20 5 BDBDHN C[C@@H](CNc1cccnc1[N+](=O)[O-])N(C)C ZINC000156941233 371509701 /nfs/dbraw/zinc/50/97/01/371509701.db2.gz GEPKDYVEFXELAD-QMMMGPOBSA-N 0 3 224.264 1.352 20 5 BDBDHN Cc1ccc(CN[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000131332071 371590233 /nfs/dbraw/zinc/59/02/33/371590233.db2.gz OBLZFAFKMIDAMB-LLVKDONJSA-N 0 3 236.271 1.782 20 5 BDBDHN Cn1cc(CN2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602714779 371832986 /nfs/dbraw/zinc/83/29/86/371832986.db2.gz WGEOBCWCKLQEOT-RKDXNWHRSA-N 0 3 236.275 1.170 20 5 BDBDHN Cc1cc(C)c([N+](=O)[O-])c(NCCN(C)C)n1 ZINC000359084299 384376381 /nfs/dbraw/zinc/37/63/81/384376381.db2.gz QFNDIWRXLGQFEK-UHFFFAOYSA-N 0 3 238.291 1.580 20 5 BDBDHN C[C@H](CCO)CNCc1ccccc1[N+](=O)[O-] ZINC000097436121 384520695 /nfs/dbraw/zinc/52/06/95/384520695.db2.gz BVKJNTFKBGRARF-SNVBAGLBSA-N 0 3 238.287 1.703 20 5 BDBDHN CCN(C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000054128023 384822902 /nfs/dbraw/zinc/82/29/02/384822902.db2.gz PWLDDDBSSKNGSE-UHFFFAOYSA-N 0 3 241.295 1.000 20 5 BDBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2CC2)cc1 ZINC000071300353 384804295 /nfs/dbraw/zinc/80/42/95/384804295.db2.gz BKTOTBMRVRXDLF-LBPRGKRZSA-N 0 3 236.271 1.455 20 5 BDBDHN C[C@H]1OCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000147765138 384857583 /nfs/dbraw/zinc/85/75/83/384857583.db2.gz CQBQEXWLWQKIDL-KOLCDFICSA-N 0 3 236.271 1.862 20 5 BDBDHN CO[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000167063397 385025072 /nfs/dbraw/zinc/02/50/72/385025072.db2.gz OHJIJGKGIYEUMH-SECBINFHSA-N 0 3 224.260 1.719 20 5 BDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCOC1 ZINC000110514518 385241626 /nfs/dbraw/zinc/24/16/26/385241626.db2.gz PUFQYBZWGBZALD-LLVKDONJSA-N 0 3 236.271 1.863 20 5 BDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCO)CCC2 ZINC000192613759 385365358 /nfs/dbraw/zinc/36/53/58/385365358.db2.gz YTCFCNCHLUEPKY-GFCCVEGCSA-N 0 3 236.271 1.554 20 5 BDBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000293520254 385750748 /nfs/dbraw/zinc/75/07/48/385750748.db2.gz VZJITJKRYKSLIC-BDAKNGLRSA-N 0 3 224.264 1.132 20 5 BDBDHN CC(C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000052926302 386370980 /nfs/dbraw/zinc/37/09/80/386370980.db2.gz YGSRBWJXDRODGT-UHFFFAOYSA-N 0 3 224.260 1.455 20 5 BDBDHN C[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294608928 386820571 /nfs/dbraw/zinc/82/05/71/386820571.db2.gz DQFUQXMCIMVINP-SFYZADRCSA-N 0 3 239.275 1.208 20 5 BDBDHN CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1C ZINC000186518717 386994572 /nfs/dbraw/zinc/99/45/72/386994572.db2.gz ZEIIMVRUZHLOAN-NSHDSACASA-N 0 3 238.287 1.764 20 5 BDBDHN CCN(C)CCNCc1ccccc1[N+](=O)[O-] ZINC000054110077 387123803 /nfs/dbraw/zinc/12/38/03/387123803.db2.gz JURDKNWDRXSIGA-UHFFFAOYSA-N 0 3 237.303 1.636 20 5 BDBDHN CC(C)[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227214765 388359277 /nfs/dbraw/zinc/35/92/77/388359277.db2.gz WUXBAEDCLOHXNK-GFCCVEGCSA-N 0 3 238.287 1.701 20 5 BDBDHN C[C@@H](O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000227953766 388374337 /nfs/dbraw/zinc/37/43/37/388374337.db2.gz AKROKVYGWPUJFM-SNVBAGLBSA-N 0 3 238.287 1.845 20 5 BDBDHN Cc1ccc(CN[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811558 388825688 /nfs/dbraw/zinc/82/56/88/388825688.db2.gz YFUHABVSRWVJOB-JTQLQIEISA-N 0 3 238.287 1.764 20 5 BDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN(C)C ZINC000288210903 172137536 /nfs/dbraw/zinc/13/75/36/172137536.db2.gz UMMIQHRUJBVMMS-UHFFFAOYSA-N 0 3 241.295 1.093 20 5 BDBDHN CN1CCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000122040526 173057211 /nfs/dbraw/zinc/05/72/11/173057211.db2.gz CRSYGYDBRGVXBZ-ZDUSSCGKSA-N 0 3 249.314 1.779 20 5 BDBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000339562927 177256607 /nfs/dbraw/zinc/25/66/07/177256607.db2.gz OWZZQFCLJUXDLB-IUCAKERBSA-N 0 3 224.264 1.132 20 5 BDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351783320 177263946 /nfs/dbraw/zinc/26/39/46/177263946.db2.gz RKWHIXOZNFGJPH-CABZTGNLSA-N 0 3 236.271 1.407 20 5 BDBDHN CC(COC(=O)[C@H]1CC12CCC2)[N+](=O)[O-] ZINC000813103540 582580704 /nfs/dbraw/zinc/58/07/04/582580704.db2.gz QDYDKBXGODZSRM-HTQZYQBOSA-N 0 3 213.233 1.385 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813106605 582581580 /nfs/dbraw/zinc/58/15/80/582581580.db2.gz FUJMCWLRAVYQKS-ZCFIWIBFSA-N 0 3 229.257 1.879 20 5 BDBDHN CCO[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112208 582589434 /nfs/dbraw/zinc/58/94/34/582589434.db2.gz DIWKLUHVICGWOJ-SFYZADRCSA-N 0 3 219.237 1.010 20 5 BDBDHN CN1C[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000893934579 583252545 /nfs/dbraw/zinc/25/25/45/583252545.db2.gz IDNMCALKBJNFIO-GXSJLCMTSA-N 0 3 248.286 1.130 20 5 BDBDHN CN(C)[C@@H](CNCC[N+](=O)[O-])c1cccs1 ZINC000899859672 584242416 /nfs/dbraw/zinc/24/24/16/584242416.db2.gz MBGWLCJGNWBWCJ-VIFPVBQESA-N 0 3 243.332 1.217 20 5 BDBDHN CC(C)OC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000873532382 584650434 /nfs/dbraw/zinc/65/04/34/584650434.db2.gz HDLMTFYBKSZYAE-SECBINFHSA-N 0 3 245.275 1.543 20 5 BDBDHN Cc1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813103154 586591921 /nfs/dbraw/zinc/59/19/21/586591921.db2.gz AKKRDRILBBPHBB-MRVPVSSYSA-N 0 3 241.218 1.956 20 5 BDBDHN CCCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813104641 586592292 /nfs/dbraw/zinc/59/22/92/586592292.db2.gz PLQYPOCGDIXLSW-MRVPVSSYSA-N 0 3 219.237 1.012 20 5 BDBDHN CC(C)CCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105150 586592464 /nfs/dbraw/zinc/59/24/64/586592464.db2.gz WGHGMABTROWFRL-NXEZZACHSA-N 0 3 247.291 1.646 20 5 BDBDHN Cc1ccoc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106664 586592621 /nfs/dbraw/zinc/59/26/21/586592621.db2.gz GETWWRQPSFPTKN-ZETCQYMHSA-N 0 3 213.189 1.410 20 5 BDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c(C)s1 ZINC000813107585 586592912 /nfs/dbraw/zinc/59/29/12/586592912.db2.gz OOUMAFOXVLUMAM-YFKPBYRVSA-N 0 3 244.272 1.582 20 5 BDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000813108745 586593065 /nfs/dbraw/zinc/59/30/65/586593065.db2.gz AFHDQCHAVZVDFQ-QMMMGPOBSA-N 0 3 224.216 1.212 20 5 BDBDHN CC(COC(=O)[C@@H]1CCC(=O)[C@H](C)C1)[N+](=O)[O-] ZINC000813109878 586593363 /nfs/dbraw/zinc/59/33/63/586593363.db2.gz PVMVBGSMSGAQJT-HRDYMLBCSA-N 0 3 243.259 1.200 20 5 BDBDHN CC(C)[C@@H](F)C(=O)OCC(C)[N+](=O)[O-] ZINC000813110437 586593571 /nfs/dbraw/zinc/59/35/71/586593571.db2.gz ARKXHXDVEBKQLZ-NKWVEPMBSA-N 0 3 207.201 1.189 20 5 BDBDHN CC(COC(=O)CC[C@H]1CC[C@@H](C)O1)[N+](=O)[O-] ZINC000813111438 586593603 /nfs/dbraw/zinc/59/36/03/586593603.db2.gz HFMUPOKUEJONEC-IVZWLZJFSA-N 0 3 245.275 1.543 20 5 BDBDHN Cc1ncsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112554 586593830 /nfs/dbraw/zinc/59/38/30/586593830.db2.gz IEGIPVHSYJOGQV-YFKPBYRVSA-N 0 3 230.245 1.274 20 5 BDBDHN CC(COC(=O)/C=C\c1ccsc1)[N+](=O)[O-] ZINC000813112944 586594109 /nfs/dbraw/zinc/59/41/09/586594109.db2.gz MLZRIVONEYGFQW-KZUAUGPASA-N 0 3 241.268 1.970 20 5 BDBDHN CC(COC(=O)/C=C\c1ccsc1)[N+](=O)[O-] ZINC000813112947 586594115 /nfs/dbraw/zinc/59/41/15/586594115.db2.gz MLZRIVONEYGFQW-YAJNLLPGSA-N 0 3 241.268 1.970 20 5 BDBDHN Cc1ccc([C@H](C)C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813114669 586594153 /nfs/dbraw/zinc/59/41/53/586594153.db2.gz FOCNVAFJOSIEHX-APPZFPTMSA-N 0 3 241.243 1.900 20 5 BDBDHN CCCCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113307 586594185 /nfs/dbraw/zinc/59/41/85/586594185.db2.gz PKCOPAVNEMVNGY-IUCAKERBSA-N 0 3 233.264 1.400 20 5 BDBDHN Cc1sccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000835456386 587801521 /nfs/dbraw/zinc/80/15/21/587801521.db2.gz UPIOPNLTHDJTGQ-ZCFIWIBFSA-N 0 3 229.257 1.879 20 5 BDBDHN CC(COC(=O)CCCC(=O)C1CC1)[N+](=O)[O-] ZINC000835453602 587802950 /nfs/dbraw/zinc/80/29/50/587802950.db2.gz DKWNDDCVXOASLZ-MRVPVSSYSA-N 0 3 243.259 1.344 20 5 BDBDHN CO[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000842363422 588021310 /nfs/dbraw/zinc/02/13/10/588021310.db2.gz ILGMWLYVGKJKSH-RKDXNWHRSA-N 0 3 233.264 1.256 20 5 BDBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccco1 ZINC000851036804 588585493 /nfs/dbraw/zinc/58/54/93/588585493.db2.gz MXRLMSZYKXOTJX-BNICOGTQSA-N 0 3 239.227 1.891 20 5 BDBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CCC1 ZINC000851035917 588585579 /nfs/dbraw/zinc/58/55/79/588585579.db2.gz CJLXIMBHJXCIHD-APPZFPTMSA-N 0 3 231.248 1.010 20 5 BDBDHN CC(COC(=O)[C@@]12C[C@@H]1COC2(C)C)[N+](=O)[O-] ZINC000851037562 588585956 /nfs/dbraw/zinc/58/59/56/588585956.db2.gz WRECOGKSOAPXDB-SOCHQFKDSA-N 0 3 243.259 1.010 20 5 BDBDHN CCC[C@@H](OCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000860777899 589119786 /nfs/dbraw/zinc/11/97/86/589119786.db2.gz YQWFGPAHPLZCMR-RKDXNWHRSA-N 0 3 233.264 1.400 20 5 BDBDHN Cc1cnc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000870377304 589661329 /nfs/dbraw/zinc/66/13/29/589661329.db2.gz PVBCZDIDFAEFDQ-ZETCQYMHSA-N 0 3 242.206 1.351 20 5 BDBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000870377984 589661572 /nfs/dbraw/zinc/66/15/72/589661572.db2.gz TYSKSUDIWOPBLH-SSDOTTSWSA-N 0 3 241.247 1.033 20 5 BDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](C)O ZINC000873006642 589979064 /nfs/dbraw/zinc/97/90/64/589979064.db2.gz NNYXMQKWDOTBNR-SECBINFHSA-N 0 3 238.287 1.682 20 5 BDBDHN O=[N+]([O-])c1ccc(CCN2CC=C[C@@H]2CO)cc1 ZINC000880486944 591063194 /nfs/dbraw/zinc/06/31/94/591063194.db2.gz RJQZWCBQUKHAAY-CYBMUJFWSA-N 0 3 248.282 1.370 20 5 BDBDHN C[C@H](CNc1ccnc(F)c1[N+](=O)[O-])N(C)C ZINC000881848821 591274275 /nfs/dbraw/zinc/27/42/75/591274275.db2.gz BCSIZYXVRCRCHU-SSDOTTSWSA-N 0 3 242.254 1.491 20 5 BDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886329636 592209955 /nfs/dbraw/zinc/20/99/55/592209955.db2.gz HASVTOXDWALOHB-PHIMTYICSA-N 0 3 248.282 1.925 20 5 BDBDHN C[C@@H](CNCC[N+](=O)[O-])c1nccs1 ZINC000905210508 637698113 /nfs/dbraw/zinc/69/81/13/637698113.db2.gz WHSMJNPVRYOEPL-ZETCQYMHSA-N 0 3 215.278 1.113 20 5 BDBDHN C[C@H](c1ccccc1)[C@H](O)CNCC[N+](=O)[O-] ZINC000905380514 637782140 /nfs/dbraw/zinc/78/21/40/637782140.db2.gz GMLQADIXUSRELZ-ZYHUDNBSSA-N 0 3 238.287 1.017 20 5 BDBDHN CC(C)O[C@@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930629198 639830546 /nfs/dbraw/zinc/83/05/46/639830546.db2.gz SMCOWQZEUFJSQS-NXEZZACHSA-N 0 3 230.308 1.445 20 5 BDBDHN Cc1c(CNCc2cnc[nH]2)cccc1[N+](=O)[O-] ZINC000231884605 641212931 /nfs/dbraw/zinc/21/29/31/641212931.db2.gz NPNCESAWTRSUJB-UHFFFAOYSA-N 0 3 246.270 1.916 20 5 BDBDHN Cc1nn(C[C@H]2CCCN2C)c(C)c1[N+](=O)[O-] ZINC000915323217 641819899 /nfs/dbraw/zinc/81/98/99/641819899.db2.gz YDKADPFXJBTFBC-SNVBAGLBSA-N 0 3 238.291 1.502 20 5 BDBDHN