smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001157073150 963522627 /nfs/dbraw/zinc/52/26/27/963522627.db2.gz CJBYUDSJJXSLTJ-UHFFFAOYSA-N 0 0 200.585 1.662 20 5 BDBDRN N#CNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157820125 963738752 /nfs/dbraw/zinc/73/87/52/963738752.db2.gz OELHWEAINBCXBO-UHFFFAOYSA-N 0 0 215.172 1.431 20 5 BDBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)COC1(C)CCC1 ZINC001123258420 966102039 /nfs/dbraw/zinc/10/20/39/966102039.db2.gz ZYOKNQMTEFIWBQ-VIFPVBQESA-N 0 0 245.275 1.544 20 5 BDBDRN CCN(c1cccc([N+](=O)[O-])n1)C1COC1 ZINC001166941618 966462333 /nfs/dbraw/zinc/46/23/33/966462333.db2.gz ARKNTRKDWNTHRM-UHFFFAOYSA-N 0 0 223.232 1.215 20 5 BDBDRN Cc1nnc(-c2c[nH]c(=O)c([N+](=O)[O-])c2)o1 ZINC001253437452 969174033 /nfs/dbraw/zinc/17/40/33/969174033.db2.gz YIBGMTGWGXNUMM-UHFFFAOYSA-N 0 0 222.160 1.054 20 5 BDBDRN CCc1nnc(-c2ncccc2[N+](=O)[O-])o1 ZINC001255120830 969946073 /nfs/dbraw/zinc/94/60/73/969946073.db2.gz QADZIMFSWHGRNP-UHFFFAOYSA-N 0 0 220.188 1.602 20 5 BDBDRN Cc1ncc(O[C@@H](C[N+](=O)[O-])C2CC2)cn1 ZINC001226958238 975190676 /nfs/dbraw/zinc/19/06/76/975190676.db2.gz YUQVBPFRAYOMPF-JTQLQIEISA-N 0 0 223.232 1.219 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(OC2CC(=O)C2)n1 ZINC001227062433 975247093 /nfs/dbraw/zinc/24/70/93/975247093.db2.gz MTDFTHQGYDWDFY-UHFFFAOYSA-N 0 0 222.200 1.409 20 5 BDBDRN C[C@@H](CON)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523597 975503849 /nfs/dbraw/zinc/50/38/49/975503849.db2.gz OESNYNIEMRJXHX-ZETCQYMHSA-N 0 0 212.205 1.252 20 5 BDBDRN Cc1cc([N+](=O)[O-])cc(C)c1OC1CN(C)C1 ZINC001228570708 976328326 /nfs/dbraw/zinc/32/83/26/976328326.db2.gz GSLVMYJOQAYGHN-UHFFFAOYSA-N 0 0 236.271 1.904 20 5 BDBDRN O=[N+]([O-])c1ccc(O)c(OC[C@@H]2CCO2)c1 ZINC001229397880 976858868 /nfs/dbraw/zinc/85/88/68/976858868.db2.gz NRBSUQILACSLAR-QMMMGPOBSA-N 0 0 225.200 1.468 20 5 BDBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001344402432 980386820 /nfs/dbraw/zinc/38/68/20/980386820.db2.gz JTWGICYYPOGXAH-SGIHWFKDSA-N 0 0 243.259 1.010 20 5 BDBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H](C)CO1 ZINC001347429863 981073204 /nfs/dbraw/zinc/07/32/04/981073204.db2.gz HRKHZOGKIZHKFX-YIZRAAEISA-N 0 0 231.248 1.010 20 5 BDBDRN CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001351566695 982331315 /nfs/dbraw/zinc/33/13/15/982331315.db2.gz KPSSQRLJBRRYST-ZETCQYMHSA-N 0 0 237.259 1.827 20 5 BDBDRN Cc1cc(Cl)c([N+](=O)[O-])c(NC#N)n1 ZINC001157822289 970826946 /nfs/dbraw/zinc/82/69/46/970826946.db2.gz IQRIPLWGGUYTPL-UHFFFAOYSA-N 0 0 212.596 1.845 20 5 BDBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCF ZINC001224673977 973848350 /nfs/dbraw/zinc/84/83/50/973848350.db2.gz KYXPPRPYFDPJEQ-SSDOTTSWSA-N 0 0 231.227 1.474 20 5 BDBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCCO)C2 ZINC001217790236 971407857 /nfs/dbraw/zinc/40/78/57/971407857.db2.gz TYWLBNNADQJOGK-GFCCVEGCSA-N 0 0 237.255 1.461 20 5 BDBDRN Cn1cc([N+](=O)[O-])cc1-c1nnc(C2CC2)o1 ZINC001257673904 971477796 /nfs/dbraw/zinc/47/77/96/971477796.db2.gz SGKDKSDFZRCVSQ-UHFFFAOYSA-N 0 0 234.215 1.861 20 5 BDBDRN COc1cc(OC2CC(O)C2)ccc1[N+](=O)[O-] ZINC001218255624 971653298 /nfs/dbraw/zinc/65/32/98/971653298.db2.gz KQDSLPFRUYFAMI-UHFFFAOYSA-N 0 0 239.227 1.506 20 5 BDBDRN O=[N+]([O-])/C=C/c1ccc(OC2CC(O)C2)cc1 ZINC001218257985 971661833 /nfs/dbraw/zinc/66/18/33/971661833.db2.gz LZCSPEGQZVWYPJ-AATRIKPKSA-N 0 0 235.239 1.836 20 5 BDBDRN O=[N+]([O-])/C=C/c1ccc(O[C@H]2C[C@H](O)C2)cc1 ZINC001218361877 971741235 /nfs/dbraw/zinc/74/12/35/971741235.db2.gz LZCSPEGQZVWYPJ-PXYAUKPQSA-N 0 0 235.239 1.836 20 5 BDBDRN O=[N+]([O-])c1cc(OC[C@H]2CCO2)ccc1F ZINC001225383243 974457312 /nfs/dbraw/zinc/45/73/12/974457312.db2.gz XBWQUMDWMANIPN-MRVPVSSYSA-N 0 0 227.191 1.902 20 5 BDBDRN O=[N+]([O-])c1cc(OC[C@H]2C[C@H](O)C2)ccc1F ZINC001218423076 971797330 /nfs/dbraw/zinc/79/73/30/971797330.db2.gz FFQQQHSZZGQNOH-ZKCHVHJHSA-N 0 0 241.218 1.884 20 5 BDBDRN O=[N+]([O-])c1ccccc1OC[C@H]1C[C@H](O)C1 ZINC001218425065 971803075 /nfs/dbraw/zinc/80/30/75/971803075.db2.gz FBQCOWKHKMUADG-KYZUINATSA-N 0 0 223.228 1.745 20 5 BDBDRN C[C@H]1COCC[C@H]1Nc1cc([N+](=O)[O-])ccn1 ZINC000310059224 971924865 /nfs/dbraw/zinc/92/48/65/971924865.db2.gz HTKWPTUXPDSICV-WCBMZHEXSA-N 0 0 237.259 1.827 20 5 BDBDRN Cc1cc(CNc2ncc([N+](=O)[O-])c(C)n2)[nH]n1 ZINC001324716750 972007704 /nfs/dbraw/zinc/00/77/04/972007704.db2.gz OQAFEBPEJKCWFS-UHFFFAOYSA-N 0 0 248.246 1.337 20 5 BDBDRN O=c1[nH]cncc1Nc1cccc([N+](=O)[O-])c1 ZINC001204439555 957415805 /nfs/dbraw/zinc/41/58/05/957415805.db2.gz GVRXXAYWUVAKLF-UHFFFAOYSA-N 0 0 232.199 1.834 20 5 BDBDRN Cc1c(F)cnc(NC2CC(=O)C2)c1[N+](=O)[O-] ZINC001167335851 957791765 /nfs/dbraw/zinc/79/17/65/957791765.db2.gz KPRHLYXOLQUCPS-UHFFFAOYSA-N 0 0 239.206 1.581 20 5 BDBDRN O=C1CC(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)C1 ZINC001167335754 957791857 /nfs/dbraw/zinc/79/18/57/957791857.db2.gz GYEGBGICEMREQD-UHFFFAOYSA-N 0 0 247.214 1.010 20 5 BDBDRN O=[N+]([O-])C[C@@H](OCc1ccncc1)C1CC1 ZINC001222129142 972376801 /nfs/dbraw/zinc/37/68/01/972376801.db2.gz LXSVJKHDIYTBPU-LLVKDONJSA-N 0 0 222.244 1.654 20 5 BDBDRN Cc1c(O[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001218362031 959999023 /nfs/dbraw/zinc/99/90/23/959999023.db2.gz ZGKHGJLDJCZLFW-KYZUINATSA-N 0 0 223.228 1.805 20 5 BDBDRN Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1C[C@@H](O)C1 ZINC001218417589 960077725 /nfs/dbraw/zinc/07/77/25/960077725.db2.gz OQGDFYPZBKDBLB-DTORHVGOSA-N 0 0 241.218 1.944 20 5 BDBDRN CCCOCCNc1cnc([N+](=O)[O-])cn1 ZINC001167875856 961426645 /nfs/dbraw/zinc/42/66/45/961426645.db2.gz SKLYEQWLRBUXSM-UHFFFAOYSA-N 0 0 226.236 1.223 20 5 BDBDRN C[C@@H]1C[C@H](Oc2ncccc2[N+](=O)[O-])CCO1 ZINC001225596787 962364560 /nfs/dbraw/zinc/36/45/60/962364560.db2.gz RJVCKIDMJAKJGK-RKDXNWHRSA-N 0 0 238.243 1.936 20 5 BDBDRN C[C@H]1C[C@H](Oc2ncccc2[N+](=O)[O-])CCO1 ZINC001225596765 962366770 /nfs/dbraw/zinc/36/67/70/962366770.db2.gz RJVCKIDMJAKJGK-DTWKUNHWSA-N 0 0 238.243 1.936 20 5 BDBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCCOC2)nc1 ZINC001225631927 962450340 /nfs/dbraw/zinc/45/03/40/962450340.db2.gz IUKVGORWEBEARU-SECBINFHSA-N 0 0 224.216 1.548 20 5 BDBDRN O=[N+]([O-])c1c[nH]c2ccc(NCC3COC3)nc21 ZINC001154634099 962821961 /nfs/dbraw/zinc/82/19/61/962821961.db2.gz JZKJCYSUHGMDQM-UHFFFAOYSA-N 0 0 248.242 1.529 20 5 BDBDRN O=[N+]([O-])c1ccc(O[C@@H]2COC[C@H]2F)cc1F ZINC001225913825 962906145 /nfs/dbraw/zinc/90/61/45/962906145.db2.gz WPHJJKDYKOYZLS-PSASIEDQSA-N 0 0 245.181 1.850 20 5 BDBDRN Cn1cccc1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001155212538 963027162 /nfs/dbraw/zinc/02/71/62/963027162.db2.gz LTRLUIKJGZBWIH-UHFFFAOYSA-N 0 0 247.258 1.523 20 5 BDBDRN O=[N+]([O-])c1cccc(N2CCOCC23CC3)n1 ZINC001155835038 963183619 /nfs/dbraw/zinc/18/36/19/963183619.db2.gz SRKHKVUWXWPFLF-UHFFFAOYSA-N 0 0 235.243 1.359 20 5 BDBDRN CC(=O)CNc1nccc(Cl)c1[N+](=O)[O-] ZINC001156778604 963457836 /nfs/dbraw/zinc/45/78/36/963457836.db2.gz LELUKJDJFBZMMR-UHFFFAOYSA-N 0 0 229.623 1.644 20 5 BDBDRN O=[N+]([O-])C[C@@H](Oc1cc(O)ccc1O)C1CC1 ZINC001227403718 963518008 /nfs/dbraw/zinc/51/80/08/963518008.db2.gz FRXUTGIMJGZWPY-LLVKDONJSA-N 0 0 239.227 1.532 20 5 BDBDRN CCCNc1cc(OC)c([N+](=O)[O-])cn1 ZINC001157357422 963576850 /nfs/dbraw/zinc/57/68/50/963576850.db2.gz JMHUAZRKNMAGIA-UHFFFAOYSA-N 0 0 211.221 1.820 20 5 BDBDRN CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001059542295 963578562 /nfs/dbraw/zinc/57/85/62/963578562.db2.gz IXZDYIXVZNTXNC-PHIMTYICSA-N 0 0 249.270 1.674 20 5 BDBDRN Nc1cc(NC2CSC2)ncc1[N+](=O)[O-] ZINC001157576682 963666135 /nfs/dbraw/zinc/66/61/35/963666135.db2.gz PDZSZAXJVHSIRH-UHFFFAOYSA-N 0 0 226.261 1.099 20 5 BDBDRN COc1ccnc(NCC2COC2)c1[N+](=O)[O-] ZINC001161943568 964826548 /nfs/dbraw/zinc/82/65/48/964826548.db2.gz QTBFTZLQLOFNID-UHFFFAOYSA-N 0 0 239.231 1.057 20 5 BDBDRN COc1ncc([N+](=O)[O-])c(NCC(C)(F)F)n1 ZINC001162227778 964882616 /nfs/dbraw/zinc/88/26/16/964882616.db2.gz BJOFLANNILQCNB-UHFFFAOYSA-N 0 0 248.189 1.461 20 5 BDBDRN O=[N+]([O-])c1ccnc(N[C@H]2C[C@]23CCCOC3)c1 ZINC001162367530 964942455 /nfs/dbraw/zinc/94/24/55/964942455.db2.gz AJXQZCVIZCFNRW-JQWIXIFHSA-N 0 0 249.270 1.971 20 5 BDBDRN CC[C@@H](CO)Nc1cc(Cl)ncc1[N+](=O)[O-] ZINC001163042848 965236435 /nfs/dbraw/zinc/23/64/35/965236435.db2.gz JKVQQBFDAKMWAX-LURJTMIESA-N 0 0 245.666 1.826 20 5 BDBDRN COc1nc(N2CCC2)ccc1[N+](=O)[O-] ZINC001163533775 965428794 /nfs/dbraw/zinc/42/87/94/965428794.db2.gz DPCBAXMYCYSCHS-UHFFFAOYSA-N 0 0 209.205 1.209 20 5 BDBDRN CCOc1nc(N2CCC2)ccc1[N+](=O)[O-] ZINC001163537248 965431951 /nfs/dbraw/zinc/43/19/51/965431951.db2.gz HOGCBWGOSXNFPW-UHFFFAOYSA-N 0 0 223.232 1.599 20 5 BDBDRN COc1cc2ncnc(N(C)C)c2cc1[N+](=O)[O-] ZINC001163569251 965452720 /nfs/dbraw/zinc/45/27/20/965452720.db2.gz LMCNSEFSLBNSMH-UHFFFAOYSA-N 0 0 248.242 1.613 20 5 BDBDRN CCN(C)c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001163584203 965463441 /nfs/dbraw/zinc/46/34/41/965463441.db2.gz RWSFBDUITSYZJQ-UHFFFAOYSA-N 0 0 230.655 1.803 20 5 BDBDRN C[C@H]1COCC[C@@H]1Oc1ccnc([N+](=O)[O-])c1 ZINC001233860197 965596924 /nfs/dbraw/zinc/59/69/24/965596924.db2.gz WXJFMFTUUZAZAV-WPRPVWTQSA-N 0 0 238.243 1.794 20 5 BDBDRN O=[N+]([O-])c1cccc(N2CC(F)(C3CC3)C2)n1 ZINC001163968168 965666897 /nfs/dbraw/zinc/66/68/97/965666897.db2.gz PARKRDOTTZNZAV-UHFFFAOYSA-N 0 0 237.234 1.928 20 5 BDBDRN CC1(C)C[C@H](CNc2ncccc2[N+](=O)[O-])O1 ZINC001168452437 965751566 /nfs/dbraw/zinc/75/15/66/965751566.db2.gz HKLGKLDUESLMNF-MRVPVSSYSA-N 0 0 237.259 1.969 20 5 BDBDRN O=[N+]([O-])c1ccc(F)cc1Cn1ccnn1 ZINC000699077381 965778767 /nfs/dbraw/zinc/77/87/67/965778767.db2.gz YKSWPGZCDQAZAD-UHFFFAOYSA-N 0 0 222.179 1.374 20 5 BDBDRN Cc1nc(N2C[C@@H](F)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC001164209421 965797071 /nfs/dbraw/zinc/79/70/71/965797071.db2.gz AVXUHFICLCNCEM-HTQZYQBOSA-N 0 0 243.213 1.794 20 5 BDBDRN O=[N+]([O-])c1cccc(N2CC[C@@]3(CCOC3)C2)n1 ZINC001165252037 966006722 /nfs/dbraw/zinc/00/67/22/966006722.db2.gz XTRJWLBJXPMZRI-GFCCVEGCSA-N 0 0 249.270 1.607 20 5 BDBDRN COC(C)(C)CNc1cnc(F)c([N+](=O)[O-])c1 ZINC001165853151 966170290 /nfs/dbraw/zinc/17/02/90/966170290.db2.gz LUEGZVWTFGCZHJ-UHFFFAOYSA-N 0 0 243.238 1.966 20 5 BDBDRN O=C1NC[C@@H](COc2ccsc2[N+](=O)[O-])O1 ZINC001166202351 966251059 /nfs/dbraw/zinc/25/10/59/966251059.db2.gz KDZNXQVFURHSPB-YFKPBYRVSA-N 0 0 244.228 1.144 20 5 BDBDRN O=[N+]([O-])c1cnn(Cc2ccccc2F)n1 ZINC001166683010 966353320 /nfs/dbraw/zinc/35/33/20/966353320.db2.gz WSZRKNQABFIEEJ-UHFFFAOYSA-N 0 0 222.179 1.374 20 5 BDBDRN Cn1ncc2c1CN(c1cc([N+](=O)[O-])ccn1)C2 ZINC001166761216 966399966 /nfs/dbraw/zinc/39/99/66/966399966.db2.gz ZAEDNXCEHZUXOZ-UHFFFAOYSA-N 0 0 245.242 1.244 20 5 BDBDRN O=[N+]([O-])c1cccc2ccc(N3CC(O)C3)nc21 ZINC001166936997 966454430 /nfs/dbraw/zinc/45/44/30/966454430.db2.gz BJSAEHJTMFMPCK-UHFFFAOYSA-N 0 0 245.238 1.324 20 5 BDBDRN O=[N+]([O-])c1ccc(Nc2cnoc2)cn1 ZINC001203566012 966695971 /nfs/dbraw/zinc/69/59/71/966695971.db2.gz AIDKOHSYJZCDEA-UHFFFAOYSA-N 0 0 206.161 1.721 20 5 BDBDRN CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107003625 966713838 /nfs/dbraw/zinc/71/38/38/966713838.db2.gz UYNAITMOJMSBQY-IHWYPQMZSA-N 0 0 249.270 1.699 20 5 BDBDRN Cc1cc(=N)n(-c2cccc([N+](=O)[O-])c2)cc1N ZINC001204450050 966999844 /nfs/dbraw/zinc/99/98/44/966999844.db2.gz IVUJYMONDSGVDE-UHFFFAOYSA-N 0 0 244.254 1.756 20 5 BDBDRN COc1cc(C)c([N+](=O)[O-])cc1NC#N ZINC001168631227 967143067 /nfs/dbraw/zinc/14/30/67/967143067.db2.gz NZEJQABZYQSXHE-UHFFFAOYSA-N 0 0 207.189 1.805 20 5 BDBDRN CC/C=C(\C)C(=O)Nc1c([N+](=O)[O-])cnn1C ZINC001128221730 967432634 /nfs/dbraw/zinc/43/26/34/967432634.db2.gz KROXRGORULNTFB-FNORWQNLSA-N 0 0 238.247 1.623 20 5 BDBDRN Cc1cncc([N+](=O)[O-])c1NCCc1cn[nH]c1 ZINC001117647853 967701967 /nfs/dbraw/zinc/70/19/67/967701967.db2.gz OIQGMJIDIFZJBK-UHFFFAOYSA-N 0 0 247.258 1.098 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccccc1 ZINC001128883187 967833416 /nfs/dbraw/zinc/83/34/16/967833416.db2.gz YCVODXQWGNEKBD-UHFFFAOYSA-N 0 0 246.226 1.581 20 5 BDBDRN 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CC(=O)CCCn1cccc([N+](=O)[O-])c1=O ZINC000050445828 384212372 /nfs/dbraw/zinc/21/23/72/384212372.db2.gz LLWHCSYCHUKMGL-UHFFFAOYSA-N 0 0 224.216 1.126 20 5 BDBDRN CSC[C@H](O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000187807919 384222879 /nfs/dbraw/zinc/22/28/79/384222879.db2.gz WEYPCTSVTAWWOQ-MRVPVSSYSA-N 0 0 245.304 1.132 20 5 BDBDRN Cc1ccc(N(C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286224219 384253964 /nfs/dbraw/zinc/25/39/64/384253964.db2.gz CBGPDQOPMRFHIL-UHFFFAOYSA-N 0 0 237.259 1.215 20 5 BDBDRN Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CCNC1=O ZINC000179038108 384290789 /nfs/dbraw/zinc/29/07/89/384290789.db2.gz WTNAFWXVIGNGKD-SECBINFHSA-N 0 0 249.270 1.512 20 5 BDBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC1CCC1 ZINC000335451976 384291898 /nfs/dbraw/zinc/29/18/98/384291898.db2.gz LZMJEXIUGZNCPO-UHFFFAOYSA-N 0 0 222.244 1.865 20 5 BDBDRN Cc1cnc(CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000358849186 384344561 /nfs/dbraw/zinc/34/45/61/384344561.db2.gz DHIAFJWMCAHFHR-UHFFFAOYSA-N 0 0 233.231 1.132 20 5 BDBDRN Cc1sc(C(=O)NCCCO)cc1[N+](=O)[O-] ZINC000097175933 384424019 /nfs/dbraw/zinc/42/40/19/384424019.db2.gz RLKFVAFMVNGUBK-UHFFFAOYSA-N 0 0 244.272 1.077 20 5 BDBDRN Cc1sc(C(=O)N[C@H](C)CO)cc1[N+](=O)[O-] ZINC000097202180 384429769 /nfs/dbraw/zinc/42/97/69/384429769.db2.gz FUKRXKNXIBCFGB-RXMQYKEDSA-N 0 0 244.272 1.075 20 5 BDBDRN CCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000060116737 384437276 /nfs/dbraw/zinc/43/72/76/384437276.db2.gz KBMSZFCTZQPBCE-UHFFFAOYSA-N 0 0 231.229 1.323 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1O ZINC000060333515 384532977 /nfs/dbraw/zinc/53/29/77/384532977.db2.gz DZXNDFMEJNNWRV-YUMQZZPRSA-N 0 0 240.263 1.044 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1O ZINC000060333514 384533981 /nfs/dbraw/zinc/53/39/81/384533981.db2.gz DZXNDFMEJNNWRV-SFYZADRCSA-N 0 0 240.263 1.044 20 5 BDBDRN Cc1cc(N[C@@H]2COC[C@H]2O)ccc1[N+](=O)[O-] ZINC000323082969 384582001 /nfs/dbraw/zinc/58/20/01/384582001.db2.gz UWUCXXOSTHNEBP-MWLCHTKSSA-N 0 0 238.243 1.075 20 5 BDBDRN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365809175 384614731 /nfs/dbraw/zinc/61/47/31/384614731.db2.gz XINCJSSHLMCUMN-UTINFBMNSA-N 0 0 224.260 1.053 20 5 BDBDRN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])C1CC1 ZINC000264249758 384857737 /nfs/dbraw/zinc/85/77/37/384857737.db2.gz GSHOSBCLAPDMSI-UHFFFAOYSA-N 0 0 238.247 1.251 20 5 BDBDRN O=[N+]([O-])c1cccc(-n2cc(CCCO)nn2)c1 ZINC000227911590 384866676 /nfs/dbraw/zinc/86/66/76/384866676.db2.gz YKVUFXRIUVBQIS-UHFFFAOYSA-N 0 0 248.242 1.100 20 5 BDBDRN CN(CCn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000127443562 384896609 /nfs/dbraw/zinc/89/66/09/384896609.db2.gz CUVKMXFUKOZNFY-UHFFFAOYSA-N 0 0 247.258 1.323 20 5 BDBDRN CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106489387 384921244 /nfs/dbraw/zinc/92/12/44/384921244.db2.gz HWLXPVQVSGSHCQ-LLVKDONJSA-N 0 0 222.244 1.820 20 5 BDBDRN O=C1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)CN1 ZINC000106560757 384921560 /nfs/dbraw/zinc/92/15/60/384921560.db2.gz DWMYFTZWGCCGLC-VIFPVBQESA-N 0 0 235.243 1.285 20 5 BDBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)O ZINC000084826162 384930913 /nfs/dbraw/zinc/93/09/13/384930913.db2.gz IDNVPNAXHGQBDL-SSDOTTSWSA-N 0 0 224.216 1.223 20 5 BDBDRN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H](C2CC2)C1 ZINC000365614037 384977963 /nfs/dbraw/zinc/97/79/63/384977963.db2.gz DRWOARKSPCUFMG-AXFHLTTASA-N 0 0 238.287 1.300 20 5 BDBDRN Cc1nn(C)c(NCc2cccnn2)c1[N+](=O)[O-] ZINC000235969648 384995703 /nfs/dbraw/zinc/99/57/03/384995703.db2.gz MQIJCRBBGYSLGM-UHFFFAOYSA-N 0 0 248.246 1.039 20 5 BDBDRN CO[C@H](C)CN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000286568835 385135053 /nfs/dbraw/zinc/13/50/53/385135053.db2.gz QCPUPAQYXXNQOK-MRVPVSSYSA-N 0 0 239.275 1.648 20 5 BDBDRN COCCCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428082808 385186132 /nfs/dbraw/zinc/18/61/32/385186132.db2.gz AHXSMZXYQUEKPM-UHFFFAOYSA-N 0 0 241.243 1.502 20 5 BDBDRN O=[N+]([O-])c1cnccc1NC[C@H]1CC[C@H](O)C1 ZINC000236581078 385173338 /nfs/dbraw/zinc/17/33/38/385173338.db2.gz FVHTYDLVLIYHRC-IUCAKERBSA-N 0 0 237.259 1.563 20 5 BDBDRN Cc1cnc(NCCCO)c([N+](=O)[O-])c1 ZINC000085426824 385176014 /nfs/dbraw/zinc/17/60/14/385176014.db2.gz AQVDLKQQWZVYGI-UHFFFAOYSA-N 0 0 211.221 1.093 20 5 BDBDRN COC[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000085426808 385176496 /nfs/dbraw/zinc/17/64/96/385176496.db2.gz FAAADDNLSMVMBY-MRVPVSSYSA-N 0 0 225.248 1.745 20 5 BDBDRN CN(CCn1cccn1)c1ncccc1[N+](=O)[O-] ZINC000110599054 385248412 /nfs/dbraw/zinc/24/84/12/385248412.db2.gz WIEMLWJGIZGUHT-UHFFFAOYSA-N 0 0 247.258 1.323 20 5 BDBDRN CN(CCn1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000110599262 385249277 /nfs/dbraw/zinc/24/92/77/385249277.db2.gz ULDNEIGMGGWQPG-UHFFFAOYSA-N 0 0 247.258 1.323 20 5 BDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@H]2O)s1 ZINC000189685751 385269261 /nfs/dbraw/zinc/26/92/61/385269261.db2.gz XJJPCYUASWRMRK-NKWVEPMBSA-N 0 0 243.288 1.767 20 5 BDBDRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111046314 385278791 /nfs/dbraw/zinc/27/87/91/385278791.db2.gz OSOROVWOQGFNBJ-QMMMGPOBSA-N 0 0 240.259 1.786 20 5 BDBDRN C[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000408029901 385444739 /nfs/dbraw/zinc/44/47/39/385444739.db2.gz DKRHUESFKRCNBX-RNFRBKRXSA-N 0 0 238.247 1.188 20 5 BDBDRN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)OC ZINC000290470819 385455940 /nfs/dbraw/zinc/45/59/40/385455940.db2.gz QNHOPKBRVNWQAX-ZETCQYMHSA-N 0 0 242.231 1.343 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1CF ZINC000293925927 385518366 /nfs/dbraw/zinc/51/83/66/385518366.db2.gz FBPLEFZMBCHZCV-SSDOTTSWSA-N 0 0 228.227 1.267 20 5 BDBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000365760206 385544449 /nfs/dbraw/zinc/54/44/49/385544449.db2.gz AWEAOJIBMBVGSY-PHIMTYICSA-N 0 0 249.270 1.666 20 5 BDBDRN C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000292202527 385616109 /nfs/dbraw/zinc/61/61/09/385616109.db2.gz CNXDIVWOHIMEGN-ZCFIWIBFSA-N 0 0 243.238 1.133 20 5 BDBDRN C[C@H](O)CCCOc1cccnc1[N+](=O)[O-] ZINC000336678915 385621327 /nfs/dbraw/zinc/62/13/27/385621327.db2.gz WSRDOXWDRMKUQX-QMMMGPOBSA-N 0 0 226.232 1.530 20 5 BDBDRN C[C@H](O)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000283427680 385664163 /nfs/dbraw/zinc/66/41/63/385664163.db2.gz BHFRCWAMZHPYJD-ZETCQYMHSA-N 0 0 225.248 1.360 20 5 BDBDRN C[C@H](F)CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000519001320 385687249 /nfs/dbraw/zinc/68/72/49/385687249.db2.gz WXBLBETZVXNOHG-YFKPBYRVSA-N 0 0 246.267 1.638 20 5 BDBDRN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1O ZINC000343248806 385699723 /nfs/dbraw/zinc/69/97/23/385699723.db2.gz JNMDXTXYITTYBS-SCZZXKLOSA-N 0 0 237.259 1.339 20 5 BDBDRN C[C@H](CCO)CCNc1ccncc1[N+](=O)[O-] ZINC000397774943 385715410 /nfs/dbraw/zinc/71/54/10/385715410.db2.gz MHVOHQINFYIOPM-VIFPVBQESA-N 0 0 239.275 1.232 20 5 BDBDRN CNC(=O)COc1cc([N+](=O)[O-])ccc1C ZINC000042180448 385851343 /nfs/dbraw/zinc/85/13/43/385851343.db2.gz GWCXYULEWWUPTH-UHFFFAOYSA-N 0 0 224.216 1.028 20 5 BDBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CNC(=O)C1 ZINC000398422290 385872828 /nfs/dbraw/zinc/87/28/28/385872828.db2.gz VTZDDCMXVJRUNC-VIFPVBQESA-N 0 0 249.270 1.451 20 5 BDBDRN O=[N+]([O-])c1cc(OCCO)ccc1Cl ZINC000140052663 386086069 /nfs/dbraw/zinc/08/60/69/386086069.db2.gz UKYHJPDBTMKMKL-UHFFFAOYSA-N 0 0 217.608 1.619 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(NCC(F)(F)CO)n1 ZINC000184095052 386199248 /nfs/dbraw/zinc/19/92/48/386199248.db2.gz JNBIAOSBYWMIKB-UHFFFAOYSA-N 0 0 247.201 1.338 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000366294833 386290197 /nfs/dbraw/zinc/29/01/97/386290197.db2.gz OJEZZYSRANTNHF-AOOOYVTPSA-N 0 0 249.270 1.666 20 5 BDBDRN NC(=O)CSCCc1ccc([N+](=O)[O-])cc1 ZINC000413013824 386261657 /nfs/dbraw/zinc/26/16/57/386261657.db2.gz BWCIDWQQJUOCBK-UHFFFAOYSA-N 0 0 240.284 1.356 20 5 BDBDRN Cc1sc(C(=O)N(C)CCO)cc1[N+](=O)[O-] ZINC000298470159 386349675 /nfs/dbraw/zinc/34/96/75/386349675.db2.gz YWIWJXXVSNAEKF-UHFFFAOYSA-N 0 0 244.272 1.029 20 5 BDBDRN CCOCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298772091 386383723 /nfs/dbraw/zinc/38/37/23/386383723.db2.gz DIVOHDSMILTRTJ-UHFFFAOYSA-N 0 0 244.272 1.423 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](O)CC2)nc1 ZINC000294210654 386475994 /nfs/dbraw/zinc/47/59/94/386475994.db2.gz URYGMRGEGHJOHF-SNVBAGLBSA-N 0 0 237.259 1.341 20 5 BDBDRN Cn1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cn1 ZINC000439514548 386476249 /nfs/dbraw/zinc/47/62/49/386476249.db2.gz OFZPCHLWTDLSBI-NSCUHMNNSA-N 0 0 230.227 1.894 20 5 BDBDRN CC/C=C/CCn1ncc([N+](=O)[O-])c1N ZINC000184438617 386518317 /nfs/dbraw/zinc/51/83/17/386518317.db2.gz KCEAURIYEMJNGT-ONEGZZNKSA-N 0 0 210.237 1.730 20 5 BDBDRN CN(CCCCO)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000351738938 386522687 /nfs/dbraw/zinc/52/26/87/386522687.db2.gz SVKFHWWJYNJVCX-UHFFFAOYSA-N 0 0 242.231 1.032 20 5 BDBDRN O=[N+]([O-])c1ccccc1CNc1cnccn1 ZINC000048337302 386576825 /nfs/dbraw/zinc/57/68/25/386576825.db2.gz GSISGLZKYYEQQY-UHFFFAOYSA-N 0 0 230.227 1.997 20 5 BDBDRN CCN(C(=O)c1cc([N+](=O)[O-])nn1C)C(C)C ZINC000356455861 386637302 /nfs/dbraw/zinc/63/73/02/386637302.db2.gz LJDHECMFNVMAJP-UHFFFAOYSA-N 0 0 240.263 1.199 20 5 BDBDRN CN(C[C@H]1CCOC1)c1ncc([N+](=O)[O-])s1 ZINC000190333369 386652682 /nfs/dbraw/zinc/65/26/82/386652682.db2.gz CPEAQGGTPOXGBS-SSDOTTSWSA-N 0 0 243.288 1.524 20 5 BDBDRN CC(C)(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000265430124 386699591 /nfs/dbraw/zinc/69/95/91/386699591.db2.gz VCYFZMVDHSDNAS-SECBINFHSA-N 0 0 239.275 1.809 20 5 BDBDRN Cc1ccc(N2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000266980311 386740168 /nfs/dbraw/zinc/74/01/68/386740168.db2.gz POXXFFUYWLWHEG-SECBINFHSA-N 0 0 249.270 1.215 20 5 BDBDRN O=[N+]([O-])c1cc(F)c(N[C@H]2C[C@@H](O)C2)c(F)c1 ZINC000294894470 386753282 /nfs/dbraw/zinc/75/32/82/386753282.db2.gz BGYLPIDAFRGDHQ-IAQIWYKVSA-N 0 0 244.197 1.808 20 5 BDBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CCC1 ZINC000164767819 386841496 /nfs/dbraw/zinc/84/14/96/386841496.db2.gz NEWAVXOCBUDZQI-SSDOTTSWSA-N 0 0 222.248 1.985 20 5 BDBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CCC1 ZINC000164767691 386841547 /nfs/dbraw/zinc/84/15/47/386841547.db2.gz NEWAVXOCBUDZQI-ZETCQYMHSA-N 0 0 222.248 1.985 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222.244 1.778 20 5 BDBDRN CC1(C)C[C@H](CNc2nccnc2[N+](=O)[O-])O1 ZINC001168450157 965745139 /nfs/dbraw/zinc/74/51/39/965745139.db2.gz HXNGPLHCRFAFPZ-SSDOTTSWSA-N 0 0 238.247 1.364 20 5 BDBDRN CN(CC1COC1)c1cccc([N+](=O)[O-])n1 ZINC001166948076 968401220 /nfs/dbraw/zinc/40/12/20/968401220.db2.gz BJABNQVCIMVXLB-UHFFFAOYSA-N 0 0 223.232 1.072 20 5 BDBDRN O=[N+]([O-])c1cnc(Cl)nc1NC1CC(F)C1 ZINC001154832830 968685043 /nfs/dbraw/zinc/68/50/43/968685043.db2.gz KJSQAKXZFUBPEJ-UHFFFAOYSA-N 0 0 246.629 1.951 20 5 BDBDRN O=[N+]([O-])C[C@H]1CC[C@H](N2CCCO2)C1 ZINC001169006418 969328634 /nfs/dbraw/zinc/32/86/34/969328634.db2.gz IBCZDQWSINSNRL-IUCAKERBSA-N 0 0 200.238 1.069 20 5 BDBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])nc1 ZINC001226709429 975038355 /nfs/dbraw/zinc/03/83/55/975038355.db2.gz IHZQVUFRYABDDU-SSDOTTSWSA-N 0 0 212.205 1.404 20 5 BDBDRN C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC001332978278 975352083 /nfs/dbraw/zinc/35/20/83/975352083.db2.gz HTSWFTAOEOTIGN-LURJTMIESA-N 0 0 244.272 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/nfs/dbraw/zinc/52/69/24/582526924.db2.gz RDRHVEUYUQUVTH-IONNQARKSA-N 0 0 205.217 1.588 20 5 BDBDRN O=C(N[C@H]1C=CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000855428356 588834316 /nfs/dbraw/zinc/83/43/16/588834316.db2.gz VSPINZDDRZXPOV-QMMMGPOBSA-N 0 0 233.227 1.438 20 5 BDBDRN O=C(CCc1ccccn1)OCCC[N+](=O)[O-] ZINC000860917352 582553591 /nfs/dbraw/zinc/55/35/91/582553591.db2.gz KEFXKWRHXKPDBL-UHFFFAOYSA-N 0 0 238.243 1.224 20 5 BDBDRN C[C@@H](COC(=O)[C@H]1CC12CCC2)[N+](=O)[O-] ZINC000813103541 582581013 /nfs/dbraw/zinc/58/10/13/582581013.db2.gz QDYDKBXGODZSRM-JGVFFNPUSA-N 0 0 213.233 1.385 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1NC(=O)CC(C)(C)C ZINC000891348493 582668189 /nfs/dbraw/zinc/66/81/89/582668189.db2.gz DJMSEIUQFSARJX-UHFFFAOYSA-N 0 0 240.263 1.703 20 5 BDBDRN CCONC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113702106 588850959 /nfs/dbraw/zinc/85/09/59/588850959.db2.gz CAWYMDKLKBFVCK-UHFFFAOYSA-N 0 0 228.179 1.415 20 5 BDBDRN CC(C)CN(C)c1c([N+](=O)[O-])cnn1C ZINC000892085454 582788138 /nfs/dbraw/zinc/78/81/38/582788138.db2.gz FXVXSLAPCPJHLW-UHFFFAOYSA-N 0 0 212.253 1.421 20 5 BDBDRN CC1(C)[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1(F)F ZINC000856069562 588859401 /nfs/dbraw/zinc/85/94/01/588859401.db2.gz SVBHSYQJBGHGFG-QYNIQEEDSA-N 0 0 248.229 1.059 20 5 BDBDRN Cc1cnc(N2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000782404078 582897826 /nfs/dbraw/zinc/89/78/26/582897826.db2.gz SVGNOUQCZKEDDW-SKDRFNHKSA-N 0 0 249.270 1.117 20 5 BDBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC=CCC1 ZINC000892606333 582928103 /nfs/dbraw/zinc/92/81/03/582928103.db2.gz ZZZFSWPYCUSGHG-MRVPVSSYSA-N 0 0 222.248 1.849 20 5 BDBDRN C/C(=C/C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccco1 ZINC000851036805 582941608 /nfs/dbraw/zinc/94/16/08/582941608.db2.gz MXRLMSZYKXOTJX-JGAIRUGNSA-N 0 0 239.227 1.891 20 5 BDBDRN CC(C)(COC(=O)[C@@H]1[C@H]2CCCO[C@H]21)[N+](=O)[O-] ZINC000851126209 582946570 /nfs/dbraw/zinc/94/65/70/582946570.db2.gz BHEPDFWXAVZOGL-IWSPIJDZSA-N 0 0 243.259 1.010 20 5 BDBDRN CC(C)(CCC(=O)NOCC1CCC1)[N+](=O)[O-] ZINC000856352272 588870414 /nfs/dbraw/zinc/87/04/14/588870414.db2.gz ZXEFRIFTMYFSKJ-UHFFFAOYSA-N 0 0 244.291 1.670 20 5 BDBDRN C[C@H]1OCC[C@@H]1Sc1c([N+](=O)[O-])cnn1C ZINC000892966962 583023018 /nfs/dbraw/zinc/02/30/18/583023018.db2.gz CUDNGGWJZKJFAG-SVRRBLITSA-N 0 0 243.288 1.598 20 5 BDBDRN C[C@@H](COC(=O)C[C@@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893046415 583037011 /nfs/dbraw/zinc/03/70/11/583037011.db2.gz AYEMNVAYUSTPHC-DTWKUNHWSA-N 0 0 245.275 1.400 20 5 BDBDRN C[C@@H](COC(=O)C1(C2CC2)CC1)[N+](=O)[O-] ZINC000893048770 583037601 /nfs/dbraw/zinc/03/76/01/583037601.db2.gz YFIJOPUEYTXUHT-ZETCQYMHSA-N 0 0 213.233 1.385 20 5 BDBDRN Cn1ncc([N+](=O)[O-])c1NCC[C@@H]1CCOC1 ZINC000893144418 583057103 /nfs/dbraw/zinc/05/71/03/583057103.db2.gz PRURPCFMCQCBLC-MRVPVSSYSA-N 0 0 240.263 1.167 20 5 BDBDRN O=C(NC[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])o1 ZINC000893331501 583105976 /nfs/dbraw/zinc/10/59/76/583105976.db2.gz XPJVJMHCHLZTCU-MRVPVSSYSA-N 0 0 236.227 1.884 20 5 BDBDRN Cc1ncoc1CNc1c([N+](=O)[O-])cnn1C ZINC000893942224 583256071 /nfs/dbraw/zinc/25/60/71/583256071.db2.gz ABHAJNPXYHMWTD-UHFFFAOYSA-N 0 0 237.219 1.237 20 5 BDBDRN CC[C@H](C)CONc1c([N+](=O)[O-])cnn1C ZINC000893952074 583260710 /nfs/dbraw/zinc/26/07/10/583260710.db2.gz ULUGNHLVSXALCW-ZETCQYMHSA-N 0 0 228.252 1.718 20 5 BDBDRN CCC1CN(c2c([N+](=O)[O-])cnn2C)C1 ZINC000894146275 583317991 /nfs/dbraw/zinc/31/79/91/583317991.db2.gz TYNXGZOVOLUSSF-UHFFFAOYSA-N 0 0 210.237 1.175 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1Cc2ccccc21 ZINC000814036323 583334382 /nfs/dbraw/zinc/33/43/82/583334382.db2.gz VTCRWQWXUZQRJA-KWQFWETISA-N 0 0 235.239 1.535 20 5 BDBDRN CC[C@H](C)OCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814036882 583335284 /nfs/dbraw/zinc/33/52/84/583335284.db2.gz MSSYDLRRIDXPHX-YUMQZZPRSA-N 0 0 219.237 1.010 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cc(C2CC2)[nH]n1 ZINC000814040328 583337338 /nfs/dbraw/zinc/33/73/38/583337338.db2.gz FUEXNLMUQYYLNY-LURJTMIESA-N 0 0 239.231 1.109 20 5 BDBDRN CSC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CCC1 ZINC000814038781 583337596 /nfs/dbraw/zinc/33/75/96/583337596.db2.gz HLBRLNGSRXMBKD-ZETCQYMHSA-N 0 0 233.289 1.481 20 5 BDBDRN CC(C)CCSCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814041763 583338705 /nfs/dbraw/zinc/33/87/05/583338705.db2.gz WAQSIOMSNJWMDB-SECBINFHSA-N 0 0 249.332 1.974 20 5 BDBDRN CC[C@H](C)[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042530 583338722 /nfs/dbraw/zinc/33/87/22/583338722.db2.gz WVIJAROMEOKWIY-XHNCKOQMSA-N 0 0 217.265 1.877 20 5 BDBDRN CC(=O)C(C)(C)CCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042260 583339026 /nfs/dbraw/zinc/33/90/26/583339026.db2.gz VENCXOBFPFUSBV-MRVPVSSYSA-N 0 0 245.275 1.590 20 5 BDBDRN C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccncc1 ZINC000840671243 583406795 /nfs/dbraw/zinc/40/67/95/583406795.db2.gz RMTLHHNVGOPWNH-SZEHBUNVSA-N 0 0 236.227 1.351 20 5 BDBDRN O=C(OC/C(Cl)=C\Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840670981 583407085 /nfs/dbraw/zinc/40/70/85/583407085.db2.gz OLGDFYAGRALIFX-IKMTZGNOSA-N 0 0 240.042 1.514 20 5 BDBDRN Cc1ccc(CNc2c([N+](=O)[O-])cnn2C)nc1 ZINC000894350266 583432900 /nfs/dbraw/zinc/43/29/00/583432900.db2.gz SARMLQRYNAVIEG-UHFFFAOYSA-N 0 0 247.258 1.644 20 5 BDBDRN Cn1ncc([N+](=O)[O-])c1SCCC(C)(C)O ZINC000894421523 583454660 /nfs/dbraw/zinc/45/46/60/583454660.db2.gz DMRNKYDEUJPNMR-UHFFFAOYSA-N 0 0 245.304 1.581 20 5 BDBDRN CC[C@@H](O)CNc1ncc([N+](=O)[O-])cc1OC ZINC000894551378 583482848 /nfs/dbraw/zinc/48/28/48/583482848.db2.gz SDCRDYACQPXJFP-MRVPVSSYSA-N 0 0 241.247 1.181 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@H]2Cc3cncn3C2)nc1 ZINC000894994746 583564690 /nfs/dbraw/zinc/56/46/90/583564690.db2.gz FYWHAMQKBYEHDS-QMMMGPOBSA-N 0 0 245.242 1.223 20 5 BDBDRN COC(C)(C)CCNc1c([N+](=O)[O-])cnn1C ZINC000895000821 583567377 /nfs/dbraw/zinc/56/73/77/583567377.db2.gz TUQMVCGWDDWQDJ-UHFFFAOYSA-N 0 0 242.279 1.555 20 5 BDBDRN O=C(NC1(C2CC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000895357824 583657968 /nfs/dbraw/zinc/65/79/68/583657968.db2.gz PZUWPMHPKFBLAC-RKDXNWHRSA-N 0 0 224.260 1.101 20 5 BDBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])CCO1 ZINC000895753418 583720118 /nfs/dbraw/zinc/72/01/18/583720118.db2.gz HOFUDHQKWWJVJK-SECBINFHSA-N 0 0 237.259 1.605 20 5 BDBDRN CCN(CCC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000895887800 583738937 /nfs/dbraw/zinc/73/89/37/583738937.db2.gz AYRDRQBYQNVTIP-UHFFFAOYSA-N 0 0 237.259 1.297 20 5 BDBDRN O=C1C[C@@H](CCNc2ccc([N+](=O)[O-])cc2)CN1 ZINC000896144477 583774402 /nfs/dbraw/zinc/77/44/02/583774402.db2.gz XXUALXUCPIDEGZ-SECBINFHSA-N 0 0 249.270 1.533 20 5 BDBDRN CCC[C@@H](O)CCNc1c([N+](=O)[O-])cnn1C ZINC000896182300 583779120 /nfs/dbraw/zinc/77/91/20/583779120.db2.gz HZWHXTHKLCWJLR-MRVPVSSYSA-N 0 0 242.279 1.291 20 5 BDBDRN C[C@@H]1CCC(=O)CN1c1ncccc1[N+](=O)[O-] ZINC000896338176 583792939 /nfs/dbraw/zinc/79/29/39/583792939.db2.gz BOMFEBDXSBRIRQ-MRVPVSSYSA-N 0 0 235.243 1.548 20 5 BDBDRN Cc1ccnc(SC2COC2)c1[N+](=O)[O-] ZINC000896960719 583864338 /nfs/dbraw/zinc/86/43/38/583864338.db2.gz OBTPSOGNFVDDOO-UHFFFAOYSA-N 0 0 226.257 1.789 20 5 BDBDRN CO[C@H]1CC[C@@H]1N(C)c1cccnc1[N+](=O)[O-] ZINC000897142551 583883594 /nfs/dbraw/zinc/88/35/94/583883594.db2.gz OGGUPNJUHMHDHU-WPRPVWTQSA-N 0 0 237.259 1.603 20 5 BDBDRN CO[C@@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000897143724 583885123 /nfs/dbraw/zinc/88/51/23/583885123.db2.gz FMHQQOHTXOCMAA-NXEZZACHSA-N 0 0 237.259 1.603 20 5 BDBDRN O=[N+]([O-])c1cnc(NC2CC(CCO)C2)s1 ZINC000897233406 583898982 /nfs/dbraw/zinc/89/89/82/583898982.db2.gz PCBYPKBHUHPHEP-UHFFFAOYSA-N 0 0 243.288 1.624 20 5 BDBDRN O=C(Cc1ccccc1[N+](=O)[O-])OCC(F)F ZINC000729075799 583951394 /nfs/dbraw/zinc/95/13/94/583951394.db2.gz UGBBBMFOZYCZPV-UHFFFAOYSA-N 0 0 245.181 1.946 20 5 BDBDRN Cc1cccc(OCC[N+](=O)[O-])c1[N+](=O)[O-] ZINC000899230224 584182847 /nfs/dbraw/zinc/18/28/47/584182847.db2.gz FSRHBMURKAMNRF-UHFFFAOYSA-N 0 0 226.188 1.559 20 5 BDBDRN COc1cc(OC)cc(OCC[N+](=O)[O-])c1 ZINC000899230871 584182922 /nfs/dbraw/zinc/18/29/22/584182922.db2.gz MPFSNOGERKEJEY-UHFFFAOYSA-N 0 0 227.216 1.359 20 5 BDBDRN CN(C)c1cccc(OCC[N+](=O)[O-])c1 ZINC000899231218 584183038 /nfs/dbraw/zinc/18/30/38/584183038.db2.gz OHJHQRKFUDRYQP-UHFFFAOYSA-N 0 0 210.233 1.408 20 5 BDBDRN CC(=O)CCc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899230418 584183130 /nfs/dbraw/zinc/18/31/30/584183130.db2.gz GXAZWGLFLPGXKB-UHFFFAOYSA-N 0 0 237.255 1.864 20 5 BDBDRN Cn1cnc(-c2ccc(OCC[N+](=O)[O-])cc2)n1 ZINC000899232964 584183562 /nfs/dbraw/zinc/18/35/62/584183562.db2.gz YLHUTJSRLJGATR-UHFFFAOYSA-N 0 0 248.242 1.138 20 5 BDBDRN O=[N+]([O-])CC[NH2+]CCc1c[nH]c2ccccc12 ZINC000899856981 584243598 /nfs/dbraw/zinc/24/35/98/584243598.db2.gz ZQRIFWQESQSJPD-UHFFFAOYSA-N 0 0 233.271 1.577 20 5 BDBDRN O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000899874115 584245415 /nfs/dbraw/zinc/24/54/15/584245415.db2.gz ZAZAMGJBEKSPOQ-WDEREUQCSA-N 0 0 206.245 1.409 20 5 BDBDRN C[C@@H]1Cc2cc(NCC[N+](=O)[O-])ccc2O1 ZINC000899896670 584248029 /nfs/dbraw/zinc/24/80/29/584248029.db2.gz ONNUMVYUSGAZML-MRVPVSSYSA-N 0 0 222.244 1.699 20 5 BDBDRN Cc1nn(CC(=O)[C@@H]2C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000901352734 584431626 /nfs/dbraw/zinc/43/16/26/584431626.db2.gz UKOAURBEHWMGMN-HZGVNTEJSA-N 0 0 237.259 1.633 20 5 BDBDRN C[C@H]1C[C@@H]1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000901457221 584450159 /nfs/dbraw/zinc/45/01/59/584450159.db2.gz UQHRFYCVBAJULW-XPUUQOCRSA-N 0 0 209.205 1.016 20 5 BDBDRN C[C@@H]1C[C@@H]1C(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000901534944 584460011 /nfs/dbraw/zinc/46/00/11/584460011.db2.gz MSQVLPWDTYOUHH-APPZFPTMSA-N 0 0 249.270 1.894 20 5 BDBDRN CC1(C)C[C@@H](SCC[N+](=O)[O-])CO1 ZINC000901585015 584467911 /nfs/dbraw/zinc/46/79/11/584467911.db2.gz CNHQKHDCNXAACD-SSDOTTSWSA-N 0 0 205.279 1.564 20 5 BDBDRN COCCCSCc1cn(C)nc1[N+](=O)[O-] ZINC000902370137 584566294 /nfs/dbraw/zinc/56/62/94/584566294.db2.gz ZRGPJRVWRYOWJS-UHFFFAOYSA-N 0 0 245.304 1.598 20 5 BDBDRN Cc1cn(C[C@@H]2C[C@]23CCOC3)nc1[N+](=O)[O-] ZINC000902374252 584567341 /nfs/dbraw/zinc/56/73/41/584567341.db2.gz ZKNQYPUYODPWON-ONGXEEELSA-N 0 0 237.259 1.526 20 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C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC=CCC1 ZINC000814043152 586612604 /nfs/dbraw/zinc/61/26/04/586612604.db2.gz BJFIZWRPHBCRDJ-RKDXNWHRSA-N 0 0 213.233 1.551 20 5 BDBDRN COC1(CC(=O)O[C@H](C)C[N+](=O)[O-])CCC1 ZINC000814041881 586612627 /nfs/dbraw/zinc/61/26/27/586612627.db2.gz FOOWIMUSUDCGBY-MRVPVSSYSA-N 0 0 231.248 1.154 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C(F)F ZINC000814042864 586612628 /nfs/dbraw/zinc/61/26/28/586612628.db2.gz PIHLNJVIHUCJGJ-RXMQYKEDSA-N 0 0 225.191 1.486 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cc(F)ccc1F ZINC000814041264 586612639 /nfs/dbraw/zinc/61/26/39/586612639.db2.gz RVYAAERBBZQMLN-LURJTMIESA-N 0 0 245.181 1.787 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(C(F)(F)F)CC1 ZINC000814044994 586612750 /nfs/dbraw/zinc/61/27/50/586612750.db2.gz WXARXZCTYDAMEE-RXMQYKEDSA-N 0 0 241.165 1.537 20 5 BDBDRN CCCCO[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043645 586612790 /nfs/dbraw/zinc/61/27/90/586612790.db2.gz ZQSNJUIPPOWJBM-RKDXNWHRSA-N 0 0 233.264 1.400 20 5 BDBDRN CCCn1cc(C(=O)O[C@H](C)C[N+](=O)[O-])cn1 ZINC000814044256 586612864 /nfs/dbraw/zinc/61/28/64/586612864.db2.gz CBPZKUHEGYJQFQ-MRVPVSSYSA-N 0 0 241.247 1.115 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cc[nH]c1C1CC1 ZINC000814046489 586613077 /nfs/dbraw/zinc/61/30/77/586613077.db2.gz LHBRRLCSOWUYGT-SSDOTTSWSA-N 0 0 238.243 1.714 20 5 BDBDRN CC[C@H](SC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814049122 586613103 /nfs/dbraw/zinc/61/31/03/586613103.db2.gz ZHTURJQQBGJIJZ-BQBZGAKWSA-N 0 0 221.278 1.336 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H]1C=CCCC1 ZINC000814049960 586613198 /nfs/dbraw/zinc/61/31/98/586613198.db2.gz VFHIUJFZIINFNK-VHSXEESVSA-N 0 0 227.260 1.941 20 5 BDBDRN CC(C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCC1 ZINC000840319787 586621932 /nfs/dbraw/zinc/62/19/32/586621932.db2.gz GWLPGJHKVIRGGO-GHMZBOCLSA-N 0 0 240.303 1.831 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)C(C)(F)F ZINC000816096902 586707991 /nfs/dbraw/zinc/70/79/91/586707991.db2.gz OPNMBUGNRUPORX-RITPCOANSA-N 0 0 225.191 1.486 20 5 BDBDRN C=C=CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000816700493 586758410 /nfs/dbraw/zinc/75/84/10/586758410.db2.gz GZYOSZMDIAWLCK-UHFFFAOYSA-N 0 0 232.239 1.595 20 5 BDBDRN CCC(CC)(CC)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840362100 586895366 /nfs/dbraw/zinc/89/53/66/586895366.db2.gz ATMAIHDKUIXCSQ-RKDXNWHRSA-N 0 0 228.292 1.737 20 5 BDBDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819916442 587002054 /nfs/dbraw/zinc/00/20/54/587002054.db2.gz MUNVXIFNLNQQTJ-XPUUQOCRSA-N 0 0 235.243 1.772 20 5 BDBDRN CCN(CC(C)=O)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000820443564 587049694 /nfs/dbraw/zinc/04/96/94/587049694.db2.gz YCYXVWXTVOLROE-UHFFFAOYSA-N 0 0 240.215 1.239 20 5 BDBDRN O=C([O-])C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000821530117 587126131 /nfs/dbraw/zinc/12/61/31/587126131.db2.gz AHMWOXXYNYHDNO-UHFFFAOYSA-N 0 0 236.227 1.038 20 5 BDBDRN C[C@@H]1C[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822513119 587172678 /nfs/dbraw/zinc/17/26/78/587172678.db2.gz 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ZINC000841000486 587934258 /nfs/dbraw/zinc/93/42/58/587934258.db2.gz CQSWUHGOVCMFDD-ZYUZMQFOSA-N 0 0 243.259 1.152 20 5 BDBDRN C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000841004113 587934977 /nfs/dbraw/zinc/93/49/77/587934977.db2.gz MGKWENWNNLFCIL-UTINFBMNSA-N 0 0 227.260 1.774 20 5 BDBDRN Cc1ccc(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000841239162 587949628 /nfs/dbraw/zinc/94/96/28/587949628.db2.gz PZROZZTZOZQJBU-RKDXNWHRSA-N 0 0 235.243 1.018 20 5 BDBDRN C[C@H](O)CCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000842027168 587990344 /nfs/dbraw/zinc/99/03/44/587990344.db2.gz YUAFRILCMJPNNN-ZETCQYMHSA-N 0 0 226.232 1.327 20 5 BDBDRN CSC(C)(C)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842329104 588018381 /nfs/dbraw/zinc/01/83/81/588018381.db2.gz JZBFEBYYFBAYFY-RNFRBKRXSA-N 0 0 233.289 1.336 20 5 BDBDRN O=C(OCCC[C@@H]1CCCO1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842336375 588019344 /nfs/dbraw/zinc/01/93/44/588019344.db2.gz VVWFIPBYKKLJAZ-IVZWLZJFSA-N 0 0 243.259 1.154 20 5 BDBDRN CC1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000842345991 588019923 /nfs/dbraw/zinc/01/99/23/588019923.db2.gz OBEJOBUMWGDMGG-HTQZYQBOSA-N 0 0 213.233 1.385 20 5 BDBDRN CCC(CC)COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842347861 588020543 /nfs/dbraw/zinc/02/05/43/588020543.db2.gz BFNANALGVZWIEN-RKDXNWHRSA-N 0 0 215.249 1.631 20 5 BDBDRN O=C(O[C@@H](C1CC1)C1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842376479 588022557 /nfs/dbraw/zinc/02/25/57/588022557.db2.gz ZFNUHZWXQLAFKQ-GMTAPVOTSA-N 0 0 239.271 1.774 20 5 BDBDRN C[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843219115 588093942 /nfs/dbraw/zinc/09/39/42/588093942.db2.gz WAFXNUNJVCHJMV-SCSAIBSYSA-N 0 0 240.244 1.726 20 5 BDBDRN C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CO1 ZINC000843731480 588135848 /nfs/dbraw/zinc/13/58/48/588135848.db2.gz XWJTZRDFAKIVQD-BDAKNGLRSA-N 0 0 244.291 1.116 20 5 BDBDRN CCON(C(=O)c1n[nH]cc1[N+](=O)[O-])C(C)C ZINC000844076841 588160527 /nfs/dbraw/zinc/16/05/27/588160527.db2.gz BQPHXNJTQBECCA-UHFFFAOYSA-N 0 0 242.235 1.120 20 5 BDBDRN CON(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845142206 588222554 /nfs/dbraw/zinc/22/25/54/588222554.db2.gz OFPRLZPONSLCJN-UHFFFAOYSA-N 0 0 242.206 1.296 20 5 BDBDRN C[C@H]1C[C@H]1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847781575 588330144 /nfs/dbraw/zinc/33/01/44/588330144.db2.gz HFKRDZWESFGFOE-POYBYMJQSA-N 0 0 239.231 1.028 20 5 BDBDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000107849087 588413694 /nfs/dbraw/zinc/41/36/94/588413694.db2.gz JUKCELOTHQBTCI-RNFRBKRXSA-N 0 0 241.634 1.339 20 5 BDBDRN C[C@H](COC(=O)[C@@H]1C[C@H]1OC(C)(C)C)[N+](=O)[O-] ZINC000851037414 588585914 /nfs/dbraw/zinc/58/59/14/588585914.db2.gz VCAVEMQWGJKMHI-IWSPIJDZSA-N 0 0 245.275 1.398 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(CF)cc1 ZINC000851047519 588586844 /nfs/dbraw/zinc/58/68/44/588586844.db2.gz ZDTPPJACUHSKQM-QMMMGPOBSA-N 0 0 241.218 1.978 20 5 BDBDRN CCC/C=C/C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125795 588592745 /nfs/dbraw/zinc/59/27/45/588592745.db2.gz 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239.275 1.727 20 5 BDBDRN Cc1nc(N[C@H]2CCSC2)ncc1[N+](=O)[O-] ZINC000296952243 180024967 /nfs/dbraw/zinc/02/49/67/180024967.db2.gz CCSIAOUMVSVKKG-ZETCQYMHSA-N 0 0 240.288 1.611 20 5 BDBDRN Cc1nc(N[C@H]2C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296915880 180025046 /nfs/dbraw/zinc/02/50/46/180025046.db2.gz AKXDGJZLGXJCOS-FSPLSTOPSA-N 0 0 208.221 1.514 20 5 BDBDRN Cc1nc(N[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150046925 180025250 /nfs/dbraw/zinc/02/52/50/180025250.db2.gz GPMCSEZGBRDWNF-BDAKNGLRSA-N 0 0 237.259 1.888 20 5 BDBDRN COc1ccc(O[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000094654901 191049461 /nfs/dbraw/zinc/04/94/61/191049461.db2.gz MOHGCJIUHWXUFE-SFYZADRCSA-N 0 0 241.243 1.752 20 5 BDBDRN Cc1cn(Cc2cnc(C)s2)nc1[N+](=O)[O-] ZINC000332703288 180161932 /nfs/dbraw/zinc/16/19/32/180161932.db2.gz NNMZJWMUCBQUAQ-UHFFFAOYSA-N 0 0 238.272 1.913 20 5 BDBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCCO ZINC000005229385 350195277 /nfs/dbraw/zinc/19/52/77/350195277.db2.gz ZJBRDAPKDVCAKX-UHFFFAOYSA-N 0 0 224.216 1.202 20 5 BDBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC1 ZINC000332435533 180175484 /nfs/dbraw/zinc/17/54/84/180175484.db2.gz JZUUGHHWUAZJSB-UHFFFAOYSA-N 0 0 235.243 1.581 20 5 BDBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000324480730 350303313 /nfs/dbraw/zinc/30/33/13/350303313.db2.gz OLJZSEGSNBXAPU-SECBINFHSA-N 0 0 222.248 1.985 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](O)CC2)cn1 ZINC000382385631 350350479 /nfs/dbraw/zinc/35/04/79/350350479.db2.gz MNTCKQATUMECJM-SNVBAGLBSA-N 0 0 237.259 1.341 20 5 BDBDRN CCCCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000050822569 350391799 /nfs/dbraw/zinc/39/17/99/350391799.db2.gz RBVITZSRCHOUSF-UHFFFAOYSA-N 0 0 225.248 1.843 20 5 BDBDRN Cc1nn(C)c(N2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267695342 180357179 /nfs/dbraw/zinc/35/71/79/180357179.db2.gz QZURAQZXHIQROV-OCAPTIKFSA-N 0 0 238.291 1.729 20 5 BDBDRN Cc1nn(C)c(N[C@@H](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000077228031 180357651 /nfs/dbraw/zinc/35/76/51/180357651.db2.gz PNCLGDXMMOZFDO-BQBZGAKWSA-N 0 0 242.279 1.066 20 5 BDBDRN Cc1nn(C)c(NCC2CC2)c1[N+](=O)[O-] ZINC000036749224 180357744 /nfs/dbraw/zinc/35/77/44/180357744.db2.gz DGCXSIWKZNHZBD-UHFFFAOYSA-N 0 0 210.237 1.459 20 5 BDBDRN Cc1nn(CC2CCC(=O)CC2)cc1[N+](=O)[O-] ZINC000295424520 180386739 /nfs/dbraw/zinc/38/67/39/180386739.db2.gz UKZFLRDIZSVRRL-UHFFFAOYSA-N 0 0 237.259 1.859 20 5 BDBDRN Cc1nn(CC2(O)CCC2)c(C)c1[N+](=O)[O-] ZINC000331402523 180386807 /nfs/dbraw/zinc/38/68/07/180386807.db2.gz NHFDKHJXMBRXQK-UHFFFAOYSA-N 0 0 225.248 1.323 20 5 BDBDRN Cc1nn(CCC(C)(C)O)cc1[N+](=O)[O-] ZINC000272333291 180387624 /nfs/dbraw/zinc/38/76/24/180387624.db2.gz FMGKGPMJTXDFMP-UHFFFAOYSA-N 0 0 213.237 1.261 20 5 BDBDRN Cc1nn(C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000276620764 180390781 /nfs/dbraw/zinc/39/07/81/180390781.db2.gz TVGHDPHIZFDSLL-IONNQARKSA-N 0 0 225.248 1.667 20 5 BDBDRN Cc1nn(C[C@@H]2CC[C@@H](C)O2)c(C)c1[N+](=O)[O-] ZINC000190604210 180391138 /nfs/dbraw/zinc/39/11/38/180391138.db2.gz VQWHFYJOSYQZIU-XCBNKYQSSA-N 0 0 239.275 1.976 20 5 BDBDRN O=[N+]([O-])c1sccc1N1CCC[C@H](O)C1 ZINC000063256045 350576967 /nfs/dbraw/zinc/57/69/67/350576967.db2.gz KHOPIPDSHKAQIM-ZETCQYMHSA-N 0 0 228.273 1.617 20 5 BDBDRN COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000052055054 350928277 /nfs/dbraw/zinc/92/82/77/350928277.db2.gz OWGXPBRLKFGUQB-UHFFFAOYSA-N 0 0 220.184 1.863 20 5 BDBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000120497725 350881978 /nfs/dbraw/zinc/88/19/78/350881978.db2.gz NWLQVNFWNYXLHX-QMMMGPOBSA-N 0 0 211.221 1.279 20 5 BDBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C=C[C@@H](CO)C1 ZINC000343884995 351002648 /nfs/dbraw/zinc/00/26/48/351002648.db2.gz PSKZOXMGJYKDTP-RKDXNWHRSA-N 0 0 235.243 1.339 20 5 BDBDRN CC(C)[C@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000086126573 350948907 /nfs/dbraw/zinc/94/89/07/350948907.db2.gz HLQMNLBBOBNOSM-VIFPVBQESA-N 0 0 225.248 1.419 20 5 BDBDRN O=c1ccn(CCc2ccccc2)cc1[N+](=O)[O-] ZINC000344182329 351017083 /nfs/dbraw/zinc/01/70/83/351017083.db2.gz HBNVKKADPCAJGB-UHFFFAOYSA-N 0 0 244.250 1.999 20 5 BDBDRN CO[C@H]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000231683677 351122079 /nfs/dbraw/zinc/12/20/79/351122079.db2.gz UZLVUUCYWPLGAK-BDAKNGLRSA-N 0 0 237.259 1.969 20 5 BDBDRN CCC[C@@H](CC)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000344468917 351137816 /nfs/dbraw/zinc/13/78/16/351137816.db2.gz FYISSPQSHPMGFR-SSDOTTSWSA-N 0 0 239.279 1.788 20 5 BDBDRN O=[N+]([O-])c1cccnc1NCC(F)(F)CO ZINC000231779447 351327390 /nfs/dbraw/zinc/32/73/90/351327390.db2.gz SMGPGXMWIQBVBX-UHFFFAOYSA-N 0 0 233.174 1.029 20 5 BDBDRN Cn1ccc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000339118926 180706675 /nfs/dbraw/zinc/70/66/75/180706675.db2.gz OTZGCRMRUZFROL-UHFFFAOYSA-N 0 0 233.227 1.907 20 5 BDBDRN C[C@@H]1COCCN1c1ccccc1[N+](=O)[O-] ZINC000073588252 352513694 /nfs/dbraw/zinc/51/36/94/352513694.db2.gz CSHUZRKVRDPKKA-SECBINFHSA-N 0 0 222.244 1.820 20 5 BDBDRN CC1(O)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000307478323 352618137 /nfs/dbraw/zinc/61/81/37/352618137.db2.gz FBDAUBXTVQTZOI-UHFFFAOYSA-N 0 0 214.246 1.227 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCOC1(C)C ZINC000296202797 180773371 /nfs/dbraw/zinc/77/33/71/180773371.db2.gz FMMFCDCYIMGLMZ-SSDOTTSWSA-N 0 0 240.263 1.308 20 5 BDBDRN Cc1ncsc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000351666617 352713271 /nfs/dbraw/zinc/71/32/71/352713271.db2.gz DJJSQHMAURGELO-UHFFFAOYSA-N 0 0 238.272 1.913 20 5 BDBDRN O=[N+]([O-])c1ncn(CCC2CCOCC2)n1 ZINC000338547455 188018382 /nfs/dbraw/zinc/01/83/82/188018382.db2.gz UWLICFOYUVXNIK-UHFFFAOYSA-N 0 0 226.236 1.003 20 5 BDBDRN C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000052926359 353133729 /nfs/dbraw/zinc/13/37/29/353133729.db2.gz SFLKBHILKGZZKC-MRVPVSSYSA-N 0 0 238.243 1.405 20 5 BDBDRN CC(C)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267594811 188023145 /nfs/dbraw/zinc/02/31/45/188023145.db2.gz RDRHPHOMHWZVKG-UHFFFAOYSA-N 0 0 211.221 1.403 20 5 BDBDRN Cc1nn(Cc2ccn(C)n2)c(C)c1[N+](=O)[O-] ZINC000271098459 188025725 /nfs/dbraw/zinc/02/57/25/188025725.db2.gz WSDRNSSCFKZPGF-UHFFFAOYSA-N 0 0 235.247 1.190 20 5 BDBDRN Cc1cc(N(C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000049776551 188046062 /nfs/dbraw/zinc/04/60/62/188046062.db2.gz FQQNLMGYJDIIPI-VIFPVBQESA-N 0 0 224.260 1.720 20 5 BDBDRN CC(C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000195507821 353765610 /nfs/dbraw/zinc/76/56/10/353765610.db2.gz DKULQFKWIKHUFD-UHFFFAOYSA-N 0 0 201.251 1.896 20 5 BDBDRN CCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000195511632 353765649 /nfs/dbraw/zinc/76/56/49/353765649.db2.gz YOUMQZHMBZHIOO-UHFFFAOYSA-N 0 0 201.251 1.898 20 5 BDBDRN CCC[C@@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000412989038 191330204 /nfs/dbraw/zinc/33/02/04/191330204.db2.gz FACXJZXPUKBLMB-MRVPVSSYSA-N 0 0 213.237 1.261 20 5 BDBDRN CC[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1F ZINC000413101383 191355657 /nfs/dbraw/zinc/35/56/57/191355657.db2.gz CYMWSJAWMKOVJZ-JTQLQIEISA-N 0 0 243.238 1.702 20 5 BDBDRN Cc1ccn(C[C@@H](O)C(C)C)c(=O)c1[N+](=O)[O-] ZINC000413000900 191336278 /nfs/dbraw/zinc/33/62/78/191336278.db2.gz QAFGTCPCQCLJDG-SECBINFHSA-N 0 0 240.259 1.082 20 5 BDBDRN CCSCCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000413004265 191337147 /nfs/dbraw/zinc/33/71/47/191337147.db2.gz SJFWMTAHPQZQSN-UHFFFAOYSA-N 0 0 242.300 1.818 20 5 BDBDRN CC[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000347620367 355237136 /nfs/dbraw/zinc/23/71/36/355237136.db2.gz FUTYERYTWFKOIL-SECBINFHSA-N 0 0 249.270 1.923 20 5 BDBDRN Cc1cc([N+](=O)[O-])cnc1N1CC(CF)C1 ZINC000413514861 191391151 /nfs/dbraw/zinc/39/11/51/191391151.db2.gz ZHZZOCVKMIJCPV-UHFFFAOYSA-N 0 0 225.223 1.704 20 5 BDBDRN C[C@@]1(Nc2ncc([N+](=O)[O-])cc2F)CCOC1 ZINC000413201195 191363928 /nfs/dbraw/zinc/36/39/28/191363928.db2.gz FQYZTNKZVOIHNO-SNVBAGLBSA-N 0 0 241.222 1.720 20 5 BDBDRN CCN(C[C@H](C)O)c1ncc([N+](=O)[O-])cc1F ZINC000413278964 191366004 /nfs/dbraw/zinc/36/60/04/191366004.db2.gz HCMFYDMNRMXSPB-ZETCQYMHSA-N 0 0 243.238 1.336 20 5 BDBDRN CCOC1CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413290729 191368908 /nfs/dbraw/zinc/36/89/08/191368908.db2.gz CNHKUBIKSNAISD-UHFFFAOYSA-N 0 0 241.222 1.354 20 5 BDBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCCO2)c(F)c1 ZINC000413310369 191371790 /nfs/dbraw/zinc/37/17/90/191371790.db2.gz HBGPAXWRTXCFON-MRVPVSSYSA-N 0 0 241.222 1.720 20 5 BDBDRN CCC1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000413361163 191374970 /nfs/dbraw/zinc/37/49/70/191374970.db2.gz JYGOCODJJQWNAN-UHFFFAOYSA-N 0 0 207.233 1.836 20 5 BDBDRN CC[C@@H](Cn1c(C)c([N+](=O)[O-])ccc1=O)OC ZINC000416919059 191770459 /nfs/dbraw/zinc/77/04/59/191770459.db2.gz QAKUJSJUVBODJH-VIFPVBQESA-N 0 0 240.259 1.490 20 5 BDBDRN Nc1ncncc1CNc1ccc([N+](=O)[O-])cc1 ZINC000339056794 181209279 /nfs/dbraw/zinc/20/92/79/181209279.db2.gz UTIDNFLKGBSOTG-UHFFFAOYSA-N 0 0 245.242 1.409 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CCS(=O)CC2)s1 ZINC000609560824 355894398 /nfs/dbraw/zinc/89/43/98/355894398.db2.gz FWLVLMNIUMVKDK-UHFFFAOYSA-N 0 0 246.313 1.225 20 5 BDBDRN NC(=O)CCSCc1ccc([N+](=O)[O-])cc1 ZINC000128871871 181226183 /nfs/dbraw/zinc/22/61/83/181226183.db2.gz JFHPXRVCAJAXIC-UHFFFAOYSA-N 0 0 240.284 1.703 20 5 BDBDRN O=[N+]([O-])c1ccc(NCCn2cccn2)cn1 ZINC000053297557 356225973 /nfs/dbraw/zinc/22/59/73/356225973.db2.gz JEEMJRUYZXHENC-UHFFFAOYSA-N 0 0 233.231 1.298 20 5 BDBDRN CN(C)CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352184324 134097728 /nfs/dbraw/zinc/09/77/28/134097728.db2.gz PHLGQVBHFPQMEW-UHFFFAOYSA-N 0 0 241.222 1.234 20 5 BDBDRN NC(=O)[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000301747486 181270474 /nfs/dbraw/zinc/27/04/74/181270474.db2.gz QZBPKQVDDJXCRI-MNOVXSKESA-N 0 0 249.270 1.661 20 5 BDBDRN NC(=O)[C@@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000301592718 181271049 /nfs/dbraw/zinc/27/10/49/181271049.db2.gz YTQKCPWQTVXVPS-BDAKNGLRSA-N 0 0 249.270 1.661 20 5 BDBDRN NC(=O)CC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420606748 192248419 /nfs/dbraw/zinc/24/84/19/192248419.db2.gz ATDMOBWUZCRBEK-UHFFFAOYSA-N 0 0 249.270 1.662 20 5 BDBDRN Cc1nc(N2CC[C@@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000450416969 202161021 /nfs/dbraw/zinc/16/10/21/202161021.db2.gz HRPGGTKGEIWWGH-SNVBAGLBSA-N 0 0 240.238 1.632 20 5 BDBDRN CCN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCOC1 ZINC000450539536 202193227 /nfs/dbraw/zinc/19/32/27/202193227.db2.gz LFYDQLCHTWFIGG-SNVBAGLBSA-N 0 0 237.259 1.605 20 5 BDBDRN COC1(Cn2nc(C)c([N+](=O)[O-])c2C)CCC1 ZINC000450558998 202196655 /nfs/dbraw/zinc/19/66/55/202196655.db2.gz FPDJQGATRWCOOH-UHFFFAOYSA-N 0 0 239.275 1.977 20 5 BDBDRN CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(F)F ZINC000450570570 202200554 /nfs/dbraw/zinc/20/05/54/202200554.db2.gz QLTXUUVTZAYOJD-RXMQYKEDSA-N 0 0 234.206 1.784 20 5 BDBDRN CCOC1(C)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000450576054 202200565 /nfs/dbraw/zinc/20/05/65/202200565.db2.gz ANFJPPFSGHUZLI-UHFFFAOYSA-N 0 0 243.288 1.667 20 5 BDBDRN CSCCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000129971565 357089047 /nfs/dbraw/zinc/08/90/47/357089047.db2.gz HNTWHIKTMPYKLF-UHFFFAOYSA-N 0 0 228.273 1.428 20 5 BDBDRN CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129995824 357127840 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230.245 1.274 20 5 BDBDRN CC[C@@H]1CC[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])O1 ZINC000813114396 586594062 /nfs/dbraw/zinc/59/40/62/586594062.db2.gz ANSOSPVDEQZDJT-DJLDLDEBSA-N 0 0 231.248 1.152 20 5 BDBDRN Cc1ccc([C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-])o1 ZINC000813114670 586594150 /nfs/dbraw/zinc/59/41/50/586594150.db2.gz FOCNVAFJOSIEHX-CBAPKCEASA-N 0 0 241.243 1.900 20 5 BDBDRN Cc1noc(C)c1CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813114287 586594180 /nfs/dbraw/zinc/59/41/80/586594180.db2.gz OSYYNVMKNKWLDS-LURJTMIESA-N 0 0 242.231 1.042 20 5 BDBDRN C[C@H](COC(=O)[C@@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114940 586594200 /nfs/dbraw/zinc/59/42/00/586594200.db2.gz YDLJRTVRFRRNHL-IWSPIJDZSA-N 0 0 231.248 1.010 20 5 BDBDRN C[C@@H](COC(=O)[C@@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114938 586594286 /nfs/dbraw/zinc/59/42/86/586594286.db2.gz YDLJRTVRFRRNHL-DJLDLDEBSA-N 0 0 231.248 1.010 20 5 BDBDRN CO[C@H](C)CCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814033773 586611979 /nfs/dbraw/zinc/61/19/79/586611979.db2.gz 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/nfs/dbraw/zinc/61/21/88/586612188.db2.gz SUJVYZZLECLFSB-VIFPVBQESA-N 0 0 245.275 1.544 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000814038846 586612225 /nfs/dbraw/zinc/61/22/25/586612225.db2.gz UICUNRDBJDDRCK-OPRDCNLKSA-N 0 0 245.275 1.543 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCOCC1 ZINC000814038246 586612278 /nfs/dbraw/zinc/61/22/78/586612278.db2.gz ACZNFMDPCMTILB-IUCAKERBSA-N 0 0 245.275 1.258 20 5 BDBDRN Cc1ccc(F)cc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040779 586612357 /nfs/dbraw/zinc/61/23/57/586612357.db2.gz LDYFZCNLEHKKQN-QMMMGPOBSA-N 0 0 241.218 1.956 20 5 BDBDRN Cc1ccccc1CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040674 586612358 /nfs/dbraw/zinc/61/23/58/586612358.db2.gz JSEBWTKHERKQLZ-JTQLQIEISA-N 0 0 237.255 1.746 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc2cc[nH]c2n1 ZINC000814039062 586612475 /nfs/dbraw/zinc/61/24/75/586612475.db2.gz WLSWZYOXTVXIAW-SSDOTTSWSA-N 0 0 249.226 1.385 20 5 BDBDRN Cc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(C)[nH]1 ZINC000814043375 586612571 /nfs/dbraw/zinc/61/25/71/586612571.db2.gz WAOVRGUYHCRWIT-ZETCQYMHSA-N 0 0 226.232 1.454 20 5 BDBDRN Cc1cc(F)ccc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814041692 586612581 /nfs/dbraw/zinc/61/25/81/586612581.db2.gz UWJHRHVTVRHSEY-QMMMGPOBSA-N 0 0 241.218 1.956 20 5 BDBDRN Cc1cscc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814041460 586612591 /nfs/dbraw/zinc/61/25/91/586612591.db2.gz UEPUJVRVWWBIAX-ZETCQYMHSA-N 0 0 229.257 1.879 20 5 BDBDRN CCO[C@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042069 586612635 /nfs/dbraw/zinc/61/26/35/586612635.db2.gz YDCYQWPLYVDVKJ-HTQZYQBOSA-N 0 0 219.237 1.010 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCOCC1CC1 ZINC000814044418 586612696 /nfs/dbraw/zinc/61/26/96/586612696.db2.gz PSIDHASEPZHGFU-MRVPVSSYSA-N 0 0 231.248 1.012 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC12CCC2 ZINC000814044458 586612755 /nfs/dbraw/zinc/61/27/55/586612755.db2.gz FSIKWABQKZWTBW-SFYZADRCSA-N 0 0 213.233 1.385 20 5 BDBDRN Cc1cc(C(=O)O[C@H](C)C[N+](=O)[O-])co1 ZINC000814044695 586612779 /nfs/dbraw/zinc/61/27/79/586612779.db2.gz INPMLKVVFBLFDC-SSDOTTSWSA-N 0 0 213.189 1.410 20 5 BDBDRN Cc1ccn(C)c1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814046505 586612979 /nfs/dbraw/zinc/61/29/79/586612979.db2.gz LUNDLGOIXIIQQF-MRVPVSSYSA-N 0 0 226.232 1.156 20 5 BDBDRN CCOCC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000814048491 586613264 /nfs/dbraw/zinc/61/32/64/586613264.db2.gz LEVOQMRVKHQKMV-QMMMGPOBSA-N 0 0 231.248 1.012 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](F)c1ccccc1 ZINC000814050801 586613277 /nfs/dbraw/zinc/61/32/77/586613277.db2.gz ZZLBWMIQNKBDFH-SCZZXKLOSA-N 0 0 241.218 1.906 20 5 BDBDRN Cc1cccc(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840312072 586613451 /nfs/dbraw/zinc/61/34/51/586613451.db2.gz IBTFQPJESSRWDB-GHMZBOCLSA-N 0 0 234.255 1.623 20 5 BDBDRN C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840322319 586622246 /nfs/dbraw/zinc/62/22/46/586622246.db2.gz WEBJLQDWIHKFQH-UTINFBMNSA-N 0 0 226.276 1.441 20 5 BDBDRN CC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840322842 586622477 /nfs/dbraw/zinc/62/24/77/586622477.db2.gz AAMLLDCRLAZCFM-OPRDCNLKSA-N 0 0 240.303 1.689 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1sccc1F ZINC000816096711 586707989 /nfs/dbraw/zinc/70/79/89/586707989.db2.gz JMZDQWHFWVHJBZ-YFKPBYRVSA-N 0 0 233.220 1.709 20 5 BDBDRN CNC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000817125067 586782813 /nfs/dbraw/zinc/78/28/13/586782813.db2.gz KEMJQOICIPEIIU-SECBINFHSA-N 0 0 249.270 1.167 20 5 BDBDRN C=C=CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000820586933 587056599 /nfs/dbraw/zinc/05/65/99/587056599.db2.gz YBZZZYRZDCLRTF-UHFFFAOYSA-N 0 0 249.226 1.529 20 5 BDBDRN O=C1CC[C@H](COc2cccc([N+](=O)[O-])c2)O1 ZINC000821057597 587091134 /nfs/dbraw/zinc/09/11/34/587091134.db2.gz CEUHJSJFJQEHCA-SNVBAGLBSA-N 0 0 237.211 1.679 20 5 BDBDRN CC[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822114927 587153867 /nfs/dbraw/zinc/15/38/67/587153867.db2.gz NPHILENKQQJZOQ-MRVPVSSYSA-N 0 0 216.281 1.737 20 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1.629 20 5 BDBDRN Cc1nc(N(C)CC(C)C)ncc1[N+](=O)[O-] ZINC000295624000 387325396 /nfs/dbraw/zinc/32/53/96/387325396.db2.gz WSQWQQJDWWNHPC-UHFFFAOYSA-N 0 0 224.264 1.785 20 5 BDBDRN COC[C@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000192504887 387447874 /nfs/dbraw/zinc/44/78/74/387447874.db2.gz OXBLROTYZSSDOL-ZETCQYMHSA-N 0 0 243.288 1.888 20 5 BDBDRN Nc1ccc([N+](=O)[O-])c(NC2CCOCC2)c1 ZINC000192781293 387457703 /nfs/dbraw/zinc/45/77/03/387457703.db2.gz IJLLHFRJYGNRPI-UHFFFAOYSA-N 0 0 237.259 1.768 20 5 BDBDRN C[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000075509024 387524685 /nfs/dbraw/zinc/52/46/85/387524685.db2.gz NHOKPVMXPANZSQ-LHLIQPBNSA-N 0 0 238.218 1.872 20 5 BDBDRN O=[N+]([O-])c1ccccc1NCCCCO ZINC000137646347 387659243 /nfs/dbraw/zinc/65/92/43/387659243.db2.gz QFZHWFAWWTVNSW-UHFFFAOYSA-N 0 0 210.233 1.779 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1SC1CCOCC1 ZINC000270255631 387860879 /nfs/dbraw/zinc/86/08/79/387860879.db2.gz YVSCQWHWLKMGLF-UHFFFAOYSA-N 0 0 243.288 1.599 20 5 BDBDRN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC2CCC1CC2 ZINC000371388894 387867597 /nfs/dbraw/zinc/86/75/97/387867597.db2.gz PGOALHOBVDWMEP-BMNUFHGDSA-N 0 0 224.260 1.053 20 5 BDBDRN Cc1nn(C[C@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000192824827 387964068 /nfs/dbraw/zinc/96/40/68/387964068.db2.gz BCFJRIHBTYYELV-SECBINFHSA-N 0 0 225.248 1.445 20 5 BDBDRN Cc1cc(C(=O)NN2CCCC2)cc([N+](=O)[O-])c1 ZINC000288821885 177796985 /nfs/dbraw/zinc/79/69/85/177796985.db2.gz IFRHKXSQRZUGGT-UHFFFAOYSA-N 0 0 249.270 1.644 20 5 BDBDRN CCc1ncn(Cc2ccccc2[N+](=O)[O-])n1 ZINC000590585934 388126143 /nfs/dbraw/zinc/12/61/43/388126143.db2.gz UFHDLVJRMJKULF-UHFFFAOYSA-N 0 0 232.243 1.797 20 5 BDBDRN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCC2)cn1 ZINC000315858965 388404039 /nfs/dbraw/zinc/40/40/39/388404039.db2.gz OSOHQEXGBUGXLV-JTQLQIEISA-N 0 0 237.259 1.563 20 5 BDBDRN Cn1ncnc1Sc1sccc1[N+](=O)[O-] ZINC000302785030 388345168 /nfs/dbraw/zinc/34/51/68/388345168.db2.gz MJFYSVQASUQPFM-UHFFFAOYSA-N 0 0 242.285 1.936 20 5 BDBDRN CC(=O)c1ccc(OC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000193432002 388348430 /nfs/dbraw/zinc/34/84/30/388348430.db2.gz KOGCBSGNUPUFHH-ZETCQYMHSA-N 0 0 239.227 1.557 20 5 BDBDRN C[C@H](O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000193443158 388350659 /nfs/dbraw/zinc/35/06/59/388350659.db2.gz QKVWVXBLMZVAQD-LURJTMIESA-N 0 0 211.221 1.050 20 5 BDBDRN Cc1ccnc(N[C@H](C)c2nc[nH]n2)c1[N+](=O)[O-] ZINC000226500258 388351600 /nfs/dbraw/zinc/35/16/00/388351600.db2.gz UPZMHHZHGKVVSY-SSDOTTSWSA-N 0 0 248.246 1.589 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCOC2)n1 ZINC000162603915 388354048 /nfs/dbraw/zinc/35/40/48/388354048.db2.gz NGABXAMCWZMHCI-VIFPVBQESA-N 0 0 237.259 1.747 20 5 BDBDRN C[C@@H](O)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000162663039 388355299 /nfs/dbraw/zinc/35/52/99/388355299.db2.gz IWMBWWYAMUAJLO-RKDXNWHRSA-N 0 0 237.259 1.197 20 5 BDBDRN Cc1c(CNc2ccncc2[N+](=O)[O-])cnn1C ZINC000230145877 388362883 /nfs/dbraw/zinc/36/28/83/388362883.db2.gz PEZBXPFXTWTGAI-UHFFFAOYSA-N 0 0 247.258 1.644 20 5 BDBDRN O=[N+]([O-])c1cccc(OCCC2(O)CC2)c1 ZINC000442843390 388366524 /nfs/dbraw/zinc/36/65/24/388366524.db2.gz SLCCIWIAAYYWHS-UHFFFAOYSA-N 0 0 223.228 1.889 20 5 BDBDRN COC[C@@H](CNc1ccccc1[N+](=O)[O-])OC ZINC000227700589 388369492 /nfs/dbraw/zinc/36/94/92/388369492.db2.gz DOFNYQUGZVIKMI-SECBINFHSA-N 0 0 240.259 1.668 20 5 BDBDRN C[C@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000122309143 388374094 /nfs/dbraw/zinc/37/40/94/388374094.db2.gz BECMXFFXGOXNMT-ZETCQYMHSA-N 0 0 225.248 1.561 20 5 BDBDRN C[C@H](C[S@@](C)=O)Nc1ncccc1[N+](=O)[O-] ZINC000164195791 388390307 /nfs/dbraw/zinc/39/03/07/388390307.db2.gz VKIUJJMHHIKELZ-QZTNRIJFSA-N 0 0 243.288 1.169 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCC2)nc1 ZINC000596325064 388413815 /nfs/dbraw/zinc/41/38/15/388413815.db2.gz OZXYBWWEZGEZRZ-JTQLQIEISA-N 0 0 237.259 1.563 20 5 BDBDRN Cc1ccnc(N[C@@H](C)CCCO)c1[N+](=O)[O-] ZINC000094944761 388432145 /nfs/dbraw/zinc/43/21/45/388432145.db2.gz LLPZLIPVCTWZEC-VIFPVBQESA-N 0 0 239.275 1.871 20 5 BDBDRN CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)COC1 ZINC000272733222 388517162 /nfs/dbraw/zinc/51/71/62/388517162.db2.gz DEUUKRAUXPCJCN-UHFFFAOYSA-N 0 0 236.227 1.570 20 5 BDBDRN CCC[C@H](O)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000298475538 388588789 /nfs/dbraw/zinc/58/87/89/388588789.db2.gz UIOGYXWYHGEUQJ-VIFPVBQESA-N 0 0 240.259 1.226 20 5 BDBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC=C(F)C1 ZINC000273155175 388591246 /nfs/dbraw/zinc/59/12/46/388591246.db2.gz ZPVDOPDFESRLLK-UHFFFAOYSA-N 0 0 240.194 1.017 20 5 BDBDRN Cc1ccnc(N[C@H](C)CCO)c1[N+](=O)[O-] ZINC000077988193 388678144 /nfs/dbraw/zinc/67/81/44/388678144.db2.gz SCDUHQAQEBYCOZ-MRVPVSSYSA-N 0 0 225.248 1.481 20 5 BDBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)OC(C)C ZINC000065659290 388678750 /nfs/dbraw/zinc/67/87/50/388678750.db2.gz SHZDONOAOXEOQQ-UHFFFAOYSA-N 0 0 241.247 1.441 20 5 BDBDRN O=C(C1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148935 388679520 /nfs/dbraw/zinc/67/95/20/388679520.db2.gz SDYFODYRDWXCRQ-UHFFFAOYSA-N 0 0 232.239 1.894 20 5 BDBDRN Cc1nc(Cn2cnc([N+](=O)[O-])c2)oc1C ZINC000299016459 388680321 /nfs/dbraw/zinc/68/03/21/388680321.db2.gz HGHWDQHYBCAKRT-UHFFFAOYSA-N 0 0 222.204 1.444 20 5 BDBDRN C[C@@H](O)CCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000078418174 388680800 /nfs/dbraw/zinc/68/08/00/388680800.db2.gz JVJPGHFLDZNORE-SECBINFHSA-N 0 0 224.260 1.802 20 5 BDBDRN CC1(C)COC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000313062053 388681300 /nfs/dbraw/zinc/68/13/00/388681300.db2.gz IUJODUIDBIICGN-ZCFIWIBFSA-N 0 0 243.288 1.888 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCSC1 ZINC000078499799 388681739 /nfs/dbraw/zinc/68/17/39/388681739.db2.gz FAPDHQOAYNGICA-LURJTMIESA-N 0 0 228.277 1.246 20 5 BDBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H](O)CC ZINC000313121933 388681868 /nfs/dbraw/zinc/68/18/68/388681868.db2.gz SCTFVQMNVMNNIX-ZJUUUORDSA-N 0 0 239.275 1.951 20 5 BDBDRN Cc1cnc(S[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000078676688 388683935 /nfs/dbraw/zinc/68/39/35/388683935.db2.gz WNISPIQPGOPTQP-SSDOTTSWSA-N 0 0 228.273 1.771 20 5 BDBDRN O=[N+]([O-])c1ccnn1Cc1ccc(Cl)cn1 ZINC000554177654 388620869 /nfs/dbraw/zinc/62/08/69/388620869.db2.gz RJCQEYXOBWJGEY-UHFFFAOYSA-N 0 0 238.634 1.888 20 5 BDBDRN CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000445616006 388636790 /nfs/dbraw/zinc/63/67/90/388636790.db2.gz NTLIGEHEWVAZCE-UHFFFAOYSA-N 0 0 237.259 1.199 20 5 BDBDRN CC(C)=CCNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000276741156 388741882 /nfs/dbraw/zinc/74/18/82/388741882.db2.gz XWFWGLLQZNVEAM-UHFFFAOYSA-N 0 0 238.247 1.024 20 5 BDBDRN CCN(CC(N)=O)c1ccc([N+](=O)[O-])cc1F ZINC000276911729 388742786 /nfs/dbraw/zinc/74/27/86/388742786.db2.gz NQGOHABWBZXQBP-UHFFFAOYSA-N 0 0 241.222 1.046 20 5 BDBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ncnn1C ZINC000276818018 388743176 /nfs/dbraw/zinc/74/31/76/388743176.db2.gz DAUFDLPEMRDURH-MRVPVSSYSA-N 0 0 247.258 1.896 20 5 BDBDRN CC[C@@H](C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124648065 388753223 /nfs/dbraw/zinc/75/32/23/388753223.db2.gz XGFWYXGNKXMJSX-SSDOTTSWSA-N 0 0 238.247 1.910 20 5 BDBDRN Cc1n[nH]c(C(=O)N2[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000526931445 388696287 /nfs/dbraw/zinc/69/62/87/388696287.db2.gz NDUHYNCFXBCTTB-PHDIDXHHSA-N 0 0 238.247 1.249 20 5 BDBDRN O=C(N[C@H]1CC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000424976070 388699333 /nfs/dbraw/zinc/69/93/33/388699333.db2.gz URGIBHZLLWKGBE-JTQLQIEISA-N 0 0 248.238 1.583 20 5 BDBDRN O=[N+]([O-])c1cccnc1NC[C@@H](O)C1CCC1 ZINC000315878156 388709727 /nfs/dbraw/zinc/70/97/27/388709727.db2.gz QJLMASFBBYQCQU-SNVBAGLBSA-N 0 0 237.259 1.563 20 5 BDBDRN COC[C@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301928665 388711240 /nfs/dbraw/zinc/71/12/40/388711240.db2.gz JBJGXPRUDRVMAN-ZCFIWIBFSA-N 0 0 232.261 1.076 20 5 BDBDRN Cc1cccc(C(=O)N(C)C#N)c1[N+](=O)[O-] ZINC000530464946 388714203 /nfs/dbraw/zinc/71/42/03/388714203.db2.gz MMGUZSNCOKVLOZ-UHFFFAOYSA-N 0 0 219.200 1.456 20 5 BDBDRN Cc1cnc(OCCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000427801794 388717838 /nfs/dbraw/zinc/71/78/38/388717838.db2.gz JKWDLIITIPVHSP-VIFPVBQESA-N 0 0 240.259 1.838 20 5 BDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CCC2)CC1 ZINC000376469259 388722285 /nfs/dbraw/zinc/72/22/85/388722285.db2.gz ZVDBMLABCCFESH-NXEZZACHSA-N 0 0 238.287 1.444 20 5 BDBDRN CON(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000069536471 388723465 /nfs/dbraw/zinc/72/34/65/388723465.db2.gz ZDRGFILGVOHJOP-UHFFFAOYSA-N 0 0 224.216 1.537 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCOC3)nc1 ZINC000377143406 388724097 /nfs/dbraw/zinc/72/40/97/388724097.db2.gz UXRLDBCPBHUVRQ-UHFFFAOYSA-N 0 0 249.270 1.607 20 5 BDBDRN CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC1(C)C ZINC000489449240 388727787 /nfs/dbraw/zinc/72/77/87/388727787.db2.gz TZEHPDSFNCCWEU-VIFPVBQESA-N 0 0 238.291 1.559 20 5 BDBDRN CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])cn1 ZINC000125656527 388801100 /nfs/dbraw/zinc/80/11/00/388801100.db2.gz VENAXHGMJKXXFH-SECBINFHSA-N 0 0 225.248 1.419 20 5 BDBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCCF ZINC000281845931 388808689 /nfs/dbraw/zinc/80/86/89/388808689.db2.gz QVWNWDTZLPKDSZ-UHFFFAOYSA-N 0 0 240.234 1.613 20 5 BDBDRN Cc1ccc(NC(=O)NCCF)cc1[N+](=O)[O-] ZINC000280991786 388789641 /nfs/dbraw/zinc/78/96/41/388789641.db2.gz JXUQDVKUBGLGPX-UHFFFAOYSA-N 0 0 241.222 1.994 20 5 BDBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283491716 388824051 /nfs/dbraw/zinc/82/40/51/388824051.db2.gz OBPJXHFOGYRZGD-UHFFFAOYSA-N 0 0 241.222 1.408 20 5 BDBDRN COC(=O)CNc1c(C)c([N+](=O)[O-])ccc1F ZINC000283517313 388824207 /nfs/dbraw/zinc/82/42/07/388824207.db2.gz MVJDJSCFCYNVDG-UHFFFAOYSA-N 0 0 242.206 1.627 20 5 BDBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCCCF ZINC000298111140 177635889 /nfs/dbraw/zinc/63/58/89/177635889.db2.gz AZWDKFOSEYXCKZ-UHFFFAOYSA-N 0 0 228.223 1.815 20 5 BDBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000281901219 171140241 /nfs/dbraw/zinc/14/02/41/171140241.db2.gz XGYCMIIAVJQJKX-HTRCEHHLSA-N 0 0 223.232 1.451 20 5 BDBDRN Cc1cc(N2CCO[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266807896 132187642 /nfs/dbraw/zinc/18/76/42/132187642.db2.gz FHRZVTAIWYSEBU-VIFPVBQESA-N 0 0 237.259 1.523 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CCO[C@H]3CCC[C@@H]32)nc1 ZINC000267223984 132188890 /nfs/dbraw/zinc/18/88/90/132188890.db2.gz DQPZRTXKFIURBC-QWRGUYRKSA-N 0 0 249.270 1.748 20 5 BDBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCS1 ZINC000273628478 132202152 /nfs/dbraw/zinc/20/21/52/132202152.db2.gz PXFQMQUCDQSRCX-SSDOTTSWSA-N 0 0 240.288 1.327 20 5 BDBDRN O=[N+]([O-])c1cnccc1N1CCN(C2CC2)CC1 ZINC000340149503 132212366 /nfs/dbraw/zinc/21/23/66/132212366.db2.gz BKIFYBCEAVSKTH-UHFFFAOYSA-N 0 0 248.286 1.274 20 5 BDBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000283399900 132212728 /nfs/dbraw/zinc/21/27/28/132212728.db2.gz FKAQNULJJMCPRZ-SECBINFHSA-N 0 0 249.270 1.262 20 5 BDBDRN Nc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000367843412 132282593 /nfs/dbraw/zinc/28/25/93/132282593.db2.gz QQGDTNBXHXVRDX-AOOOYVTPSA-N 0 0 249.270 1.545 20 5 BDBDRN Cc1nc(N2CCO[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000368647028 132284086 /nfs/dbraw/zinc/28/40/86/132284086.db2.gz WURBCJINUXFWPA-ZJUUUORDSA-N 0 0 235.243 1.276 20 5 BDBDRN C[C@@H]1[C@H](O)CCCN1c1ccccc1[N+](=O)[O-] ZINC000295084990 132308098 /nfs/dbraw/zinc/30/80/98/132308098.db2.gz YFZLQUKTUFXDTQ-BXKDBHETSA-N 0 0 236.271 1.944 20 5 BDBDRN C[C@H]1COCCN1c1ncccc1[N+](=O)[O-] ZINC000025503876 132333306 /nfs/dbraw/zinc/33/33/06/132333306.db2.gz OWJYLGJSTNXOLH-QMMMGPOBSA-N 0 0 223.232 1.215 20 5 BDBDRN Cc1ccnc(N2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000070496811 132391575 /nfs/dbraw/zinc/39/15/75/132391575.db2.gz BIUVZNKWPSJTJD-SECBINFHSA-N 0 0 237.259 1.259 20 5 BDBDRN O=[N+]([O-])c1ccccc1N1CCn2cnnc2C1 ZINC000105793693 132436694 /nfs/dbraw/zinc/43/66/94/132436694.db2.gz OFPUNMVOTNZYJN-UHFFFAOYSA-N 0 0 245.242 1.207 20 5 BDBDRN CC1(Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000334227731 133595064 /nfs/dbraw/zinc/59/50/64/133595064.db2.gz FTMLNYIBTOLGTH-UHFFFAOYSA-N 0 0 222.244 1.947 20 5 BDBDRN C[C@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000335948955 134021213 /nfs/dbraw/zinc/02/12/13/134021213.db2.gz XGOKWPHKISOFJG-YUMQZZPRSA-N 0 0 237.259 1.462 20 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1.274 20 5 BDBDRN CC(C)[C@H](F)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110439 586593446 /nfs/dbraw/zinc/59/34/46/586593446.db2.gz ARKXHXDVEBKQLZ-RQJHMYQMSA-N 0 0 207.201 1.189 20 5 BDBDRN CCc1cncc(C(=O)OC[C@H](C)[N+](=O)[O-])c1 ZINC000813112062 586593588 /nfs/dbraw/zinc/59/35/88/586593588.db2.gz ZBBAZDBYHPHRBV-QMMMGPOBSA-N 0 0 238.243 1.466 20 5 BDBDRN C[C@H](COC(=O)C1(F)CCCC1)[N+](=O)[O-] ZINC000813110356 586593700 /nfs/dbraw/zinc/59/37/00/586593700.db2.gz YNAPVYWBHJGLJE-SSDOTTSWSA-N 0 0 219.212 1.477 20 5 BDBDRN Cc1cscc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111098 586593717 /nfs/dbraw/zinc/59/37/17/586593717.db2.gz CKPLVQLTGWEVEJ-ZETCQYMHSA-N 0 0 229.257 1.879 20 5 BDBDRN CCc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])ccn1C ZINC000813114250 586593827 /nfs/dbraw/zinc/59/38/27/586593827.db2.gz OJIPPUPAKZUVMZ-MRVPVSSYSA-N 0 0 240.259 1.410 20 5 BDBDRN C[C@H](COC(=O)CCCOC(C)(C)C)[N+](=O)[O-] ZINC000813113597 586593949 /nfs/dbraw/zinc/59/39/49/586593949.db2.gz GTSGEYHBAPNJRL-SECBINFHSA-N 0 0 247.291 1.790 20 5 BDBDRN C[C@@H](COC(=O)CCC1CCC1)[N+](=O)[O-] ZINC000813114307 586593983 /nfs/dbraw/zinc/59/39/83/586593983.db2.gz PIHFPJGGJVFKRI-QMMMGPOBSA-N 0 0 215.249 1.775 20 5 BDBDRN CC[C@H](C)CONC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000813835060 586607963 /nfs/dbraw/zinc/60/79/63/586607963.db2.gz IRRWWXRCUKBLMG-ZETCQYMHSA-N 0 0 241.247 1.630 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000814037082 586611817 /nfs/dbraw/zinc/61/18/17/586611817.db2.gz QROUQFFFAZJLEK-YIZRAAEISA-N 0 0 243.259 1.200 20 5 BDBDRN CO[C@@H](C)CCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814033780 586611911 /nfs/dbraw/zinc/61/19/11/586611911.db2.gz CYEJIZZNLSPGNB-YUMQZZPRSA-N 0 0 219.237 1.010 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CC(F)(F)C1 ZINC000814036662 586612044 /nfs/dbraw/zinc/61/20/44/586612044.db2.gz IIKSKDDXDGYJMT-YFKPBYRVSA-N 0 0 223.175 1.240 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)Cc1ccco1 ZINC000814039936 586612361 /nfs/dbraw/zinc/61/23/61/586612361.db2.gz ZCNZVADOIXORMJ-SSDOTTSWSA-N 0 0 213.189 1.031 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCOCC1 ZINC000814039408 586612402 /nfs/dbraw/zinc/61/24/02/586612402.db2.gz PABJWODMCWEJJM-BDAKNGLRSA-N 0 0 231.248 1.012 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)/C=C/C(C)(C)C ZINC000814040806 586612495 /nfs/dbraw/zinc/61/24/95/586612495.db2.gz LTYVLWVSTSTBEX-HQZHTGGTSA-N 0 0 215.249 1.797 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCO[C@H](C)C1 ZINC000814040993 586612553 /nfs/dbraw/zinc/61/25/53/586612553.db2.gz MCSPJXBBSPPNGP-HLTSFMKQSA-N 0 0 231.248 1.010 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)Cc1ccccc1F ZINC000814042531 586612644 /nfs/dbraw/zinc/61/26/44/586612644.db2.gz LZLCOSIWHWKQMC-MRVPVSSYSA-N 0 0 241.218 1.577 20 5 BDBDRN Cc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc1 ZINC000814044137 586612738 /nfs/dbraw/zinc/61/27/38/586612738.db2.gz OHLMBBOYFBHIAT-SECBINFHSA-N 0 0 223.228 1.817 20 5 BDBDRN Cc1nc(C)c(C(=O)O[C@@H](C)C[N+](=O)[O-])o1 ZINC000814045290 586612792 /nfs/dbraw/zinc/61/27/92/586612792.db2.gz OMDZHSAEGJTUJE-YFKPBYRVSA-N 0 0 228.204 1.113 20 5 BDBDRN Cc1c[nH]cc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045480 586612855 /nfs/dbraw/zinc/61/28/55/586612855.db2.gz TURQUEOFTSWPQW-ZETCQYMHSA-N 0 0 212.205 1.145 20 5 BDBDRN Cc1ccoc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814047731 586612970 /nfs/dbraw/zinc/61/29/70/586612970.db2.gz OPVZEGVPPBIYPX-ZETCQYMHSA-N 0 0 213.189 1.410 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000814046611 586613009 /nfs/dbraw/zinc/61/30/09/586613009.db2.gz LZHAXCDWVMEOTG-HLTSFMKQSA-N 0 0 243.259 1.200 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@@H](C)C1 ZINC000814048215 586613207 /nfs/dbraw/zinc/61/32/07/586613207.db2.gz RMJBCXDUFSNRNX-VGMNWLOBSA-N 0 0 215.249 1.631 20 5 BDBDRN CC(C)(CCC(=O)N[C@@H]1CC12CC2)[N+](=O)[O-] ZINC000819627319 586983215 /nfs/dbraw/zinc/98/32/15/586983215.db2.gz UHFSLFNZPUCYGR-MRVPVSSYSA-N 0 0 226.276 1.491 20 5 BDBDRN CC(C)(C)C(C)(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840462463 587105673 /nfs/dbraw/zinc/10/56/73/587105673.db2.gz BTKJARBEZNRHBZ-HTQZYQBOSA-N 0 0 228.292 1.593 20 5 BDBDRN CC(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822106832 587152910 /nfs/dbraw/zinc/15/29/10/587152910.db2.gz BPKBRQWPXKDAHJ-UHFFFAOYSA-N 0 0 202.254 1.347 20 5 BDBDRN CC(C)(CCC(=O)N1C2CCC1CC2)[N+](=O)[O-] ZINC000822330872 587162620 /nfs/dbraw/zinc/16/26/20/587162620.db2.gz RPHQDQFRSOTAJR-UHFFFAOYSA-N 0 0 240.303 1.975 20 5 BDBDRN C[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840475080 587193392 /nfs/dbraw/zinc/19/33/92/587193392.db2.gz SMTKFRGOYUCMSW-BFLSOPEQSA-N 0 0 240.303 1.737 20 5 BDBDRN CO[C@H](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822995044 587197325 /nfs/dbraw/zinc/19/73/25/587197325.db2.gz SKTAOCJDVOOBDL-SECBINFHSA-N 0 0 246.307 1.363 20 5 BDBDRN CC(C)(CCC(=O)N[C@H]1CCCOC1)[N+](=O)[O-] ZINC000823151938 587205738 /nfs/dbraw/zinc/20/57/38/587205738.db2.gz IEJGTTAWEHWKCC-VIFPVBQESA-N 0 0 244.291 1.117 20 5 BDBDRN CC(C)CONC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827213113 587373159 /nfs/dbraw/zinc/37/31/59/587373159.db2.gz KZLQSFDHBSIKKE-UHFFFAOYSA-N 0 0 232.280 1.526 20 5 BDBDRN O=[N+]([O-])c1ncccc1N1CC2(CC2)C1 ZINC000828365050 587438503 /nfs/dbraw/zinc/43/85/03/587438503.db2.gz OJVOTWXPYFNGEA-UHFFFAOYSA-N 0 0 205.217 1.590 20 5 BDBDRN CC(C)=CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829834292 587521518 /nfs/dbraw/zinc/52/15/18/587521518.db2.gz STGVIDJBPNETPG-UHFFFAOYSA-N 0 0 226.192 1.666 20 5 BDBDRN O=[N+]([O-])c1cc([N+](=O)[O-])n(CCCCCF)n1 ZINC000829838396 587522186 /nfs/dbraw/zinc/52/21/86/587522186.db2.gz WYOMVVKQVHNOJZ-UHFFFAOYSA-N 0 0 246.198 1.839 20 5 BDBDRN CCON(CC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000831453787 587608714 /nfs/dbraw/zinc/60/87/14/587608714.db2.gz BAEGXUYOVNHXHM-UHFFFAOYSA-N 0 0 232.280 1.622 20 5 BDBDRN CC(C)C(=O)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835383602 587799410 /nfs/dbraw/zinc/79/94/10/587799410.db2.gz QYRONLDVKNTEQD-UHFFFAOYSA-N 0 0 245.275 1.590 20 5 BDBDRN Cc1sccc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835467174 587803752 /nfs/dbraw/zinc/80/37/52/587803752.db2.gz PNKFSSGKPICKEK-LURJTMIESA-N 0 0 229.257 1.879 20 5 BDBDRN CC/C(C)=C\C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835466370 587803780 /nfs/dbraw/zinc/80/37/80/587803780.db2.gz IQKMXCWOUBMKRO-TVSKSKRASA-N 0 0 201.222 1.551 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C(C)(F)F ZINC000835466674 587803813 /nfs/dbraw/zinc/80/38/13/587803813.db2.gz KKBHZLJSDSCOTM-ZCFIWIBFSA-N 0 0 239.218 1.876 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cncc(Cl)c1 ZINC000835468143 587803886 /nfs/dbraw/zinc/80/38/86/587803886.db2.gz ZNJYECASNKZXSE-LURJTMIESA-N 0 0 244.634 1.557 20 5 BDBDRN CC[C@H](C)Cc1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000867137742 587813697 /nfs/dbraw/zinc/81/36/97/587813697.db2.gz WWEIDLDWHVSAHG-XLPZGREQSA-N 0 0 225.248 1.791 20 5 BDBDRN C[C@H](O)CCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000837925814 587903514 /nfs/dbraw/zinc/90/35/14/587903514.db2.gz WMHCQJMNLKGFAI-VIFPVBQESA-N 0 0 247.291 1.526 20 5 BDBDRN O=C(O[C@H]1C=CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671674 587915785 /nfs/dbraw/zinc/91/57/85/587915785.db2.gz ZCEHFISBUWHPFJ-DJLDLDEBSA-N 0 0 211.217 1.304 20 5 BDBDRN CC1(C)CCC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673322 587916167 /nfs/dbraw/zinc/91/61/67/587916167.db2.gz KGJGJRRIXUPNDN-IWSPIJDZSA-N 0 0 227.260 1.774 20 5 BDBDRN O=C(OCCCCCF)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673570 587916181 /nfs/dbraw/zinc/91/61/81/587916181.db2.gz SXZFVKSGSYBCEA-HTQZYQBOSA-N 0 0 219.212 1.335 20 5 BDBDRN C[C@H]1[C@@H](C)N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C ZINC000841366134 587952924 /nfs/dbraw/zinc/95/29/24/587952924.db2.gz XJULDQMAQNHMFA-VVULQXIFSA-N 0 0 226.276 1.155 20 5 BDBDRN O=C(OC[C@H]1CCCS1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842315874 588016839 /nfs/dbraw/zinc/01/68/39/588016839.db2.gz YQRJMENPRHDCKG-BWZBUEFSSA-N 0 0 231.273 1.090 20 5 BDBDRN CC[C@@H](CCOC)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842326182 588018062 /nfs/dbraw/zinc/01/80/62/588018062.db2.gz HQZIZZBFAFKKOO-DJLDLDEBSA-N 0 0 231.248 1.010 20 5 BDBDRN C[C@H](C[C@@H]1CCOC1)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842350978 588020390 /nfs/dbraw/zinc/02/03/90/588020390.db2.gz VVJUBOKALDHBKQ-UTINFBMNSA-N 0 0 243.259 1.010 20 5 BDBDRN CC(C)c1[nH]ccc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000845577009 588233891 /nfs/dbraw/zinc/23/38/91/588233891.db2.gz QBNABBBCUWYAEA-QMMMGPOBSA-N 0 0 240.259 1.960 20 5 BDBDRN O=[N+]([O-])c1ccnn1CN(CC(F)F)C1CC1 ZINC000106857250 588313060 /nfs/dbraw/zinc/31/30/60/588313060.db2.gz LCPMNPWSKQVXDG-UHFFFAOYSA-N 0 0 246.217 1.478 20 5 BDBDRN CC(C)CC(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847780650 588329852 /nfs/dbraw/zinc/32/98/52/588329852.db2.gz BYVIUFOWNRNWRS-UHFFFAOYSA-N 0 0 241.247 1.418 20 5 BDBDRN CC(C)[C@H](O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000849627609 588481709 /nfs/dbraw/zinc/48/17/09/588481709.db2.gz HQRVIPTWNZBEOM-SSDOTTSWSA-N 0 0 243.215 1.362 20 5 BDBDRN CC(C)(COC(=O)C[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000851126032 588592417 /nfs/dbraw/zinc/59/24/17/588592417.db2.gz KQDRRVHUKQYRJF-VIFPVBQESA-N 0 0 245.275 1.544 20 5 BDBDRN CCO[C@@H]1C[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851124564 588592446 /nfs/dbraw/zinc/59/24/46/588592446.db2.gz BFOWTQGLQMYLFN-HTQZYQBOSA-N 0 0 231.248 1.010 20 5 BDBDRN Cc1occc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851123273 588592455 /nfs/dbraw/zinc/59/24/55/588592455.db2.gz OUAAONGDNUEUOF-UHFFFAOYSA-N 0 0 227.216 1.800 20 5 BDBDRN CC(C)(COC(=O)[C@H]1CCCOC1)[N+](=O)[O-] ZINC000851125756 588592784 /nfs/dbraw/zinc/59/27/84/588592784.db2.gz IQMFCRPPBOPBNH-QMMMGPOBSA-N 0 0 231.248 1.012 20 5 BDBDRN Cc1ncsc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127221 588592789 /nfs/dbraw/zinc/59/27/89/588592789.db2.gz VHDMFABEWHXSGU-UHFFFAOYSA-N 0 0 244.272 1.664 20 5 BDBDRN C[C@@H]1C[C@H](C)[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])O1 ZINC000851128670 588592926 /nfs/dbraw/zinc/59/29/26/588592926.db2.gz BVTUXXQUZGMGKD-YIZRAAEISA-N 0 0 245.275 1.398 20 5 BDBDRN C[C@@H]1C[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])CO1 ZINC000851128001 588592983 /nfs/dbraw/zinc/59/29/83/588592983.db2.gz DBWNTVHSNFORTN-SFYZADRCSA-N 0 0 231.248 1.010 20 5 BDBDRN CO[C@H]1CC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851129945 588593335 /nfs/dbraw/zinc/59/33/35/588593335.db2.gz NRGHDVZLTAWRSG-IUCAKERBSA-N 0 0 245.275 1.400 20 5 BDBDRN COC[C@@H](C)[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130622 588593431 /nfs/dbraw/zinc/59/34/31/588593431.db2.gz ZZYDTOOXMCYJLY-BDAKNGLRSA-N 0 0 247.291 1.504 20 5 BDBDRN C[C@H](COC(=O)[C@@H]1C[C@H]1c1ccco1)[N+](=O)[O-] ZINC000860777598 589119470 /nfs/dbraw/zinc/11/94/70/589119470.db2.gz QXTBKJHOUDKMLH-IWSPIJDZSA-N 0 0 239.227 1.592 20 5 BDBDRN CCC[C@H](OCC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000860787077 589120181 /nfs/dbraw/zinc/12/01/81/589120181.db2.gz IQMXKQDILGCUFI-BDAKNGLRSA-N 0 0 233.264 1.400 20 5 BDBDRN CCO[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])C1CC1 ZINC000860786557 589120275 /nfs/dbraw/zinc/12/02/75/589120275.db2.gz CYMVKJWPQKZQNZ-APPZFPTMSA-N 0 0 231.248 1.010 20 5 BDBDRN CCO[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000860787896 589120342 /nfs/dbraw/zinc/12/03/42/589120342.db2.gz 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231.248 1.156 20 5 BDBDRN Cc1cccc(C(=O)OCCC[N+](=O)[O-])c1F ZINC000860917636 589131767 /nfs/dbraw/zinc/13/17/67/589131767.db2.gz OIRCDECFUUDXCY-UHFFFAOYSA-N 0 0 241.218 1.958 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])[C@H]1C[C@@H]1C1CC1 ZINC000860918496 589131774 /nfs/dbraw/zinc/13/17/74/589131774.db2.gz KBUXHFKLLZVEDW-BDAKNGLRSA-N 0 0 213.233 1.243 20 5 BDBDRN C[C@@H]1CC/C(=C\C(=O)OCCC[N+](=O)[O-])C1 ZINC000860917419 589131806 /nfs/dbraw/zinc/13/18/06/589131806.db2.gz KYJCFAFMULVGSP-NCXKZPMSSA-N 0 0 227.260 1.943 20 5 BDBDRN Cc1ccc(CCC(=O)OCCC[N+](=O)[O-])o1 ZINC000860917788 589131944 /nfs/dbraw/zinc/13/19/44/589131944.db2.gz PYXGATYXEPUEMA-UHFFFAOYSA-N 0 0 241.243 1.731 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])c1cccc(Cl)n1 ZINC000860917922 589132005 /nfs/dbraw/zinc/13/20/05/589132005.db2.gz WHLIOFDGSKVDCI-UHFFFAOYSA-N 0 0 244.634 1.559 20 5 BDBDRN O=C(CCC1CCOCC1)OCCC[N+](=O)[O-] ZINC000860917322 589132030 /nfs/dbraw/zinc/13/20/30/589132030.db2.gz JUKRZSXMPUMWJH-UHFFFAOYSA-N 0 0 245.275 1.403 20 5 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CC(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839695116 585335485 /nfs/dbraw/zinc/33/54/85/585335485.db2.gz YVLJUNAFQUNVFS-HBNTYKKESA-N 0 0 240.303 1.546 20 5 BDBDRN C[C@@H](N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1(C)CC1 ZINC000839699164 585335664 /nfs/dbraw/zinc/33/56/64/585335664.db2.gz JMIRUSXKMVSUFK-IWSPIJDZSA-N 0 0 226.276 1.299 20 5 BDBDRN CC1(C)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCS1 ZINC000839700590 585335863 /nfs/dbraw/zinc/33/58/63/585335863.db2.gz PEXMCXXTTCPGOF-HTQZYQBOSA-N 0 0 244.316 1.006 20 5 BDBDRN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839701019 585336068 /nfs/dbraw/zinc/33/60/68/585336068.db2.gz JDIYTJQVGPHJAX-BZNPZCIMSA-N 0 0 212.249 1.051 20 5 BDBDRN O=C(Nc1ccc(F)cc1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704610 585337531 /nfs/dbraw/zinc/33/75/31/585337531.db2.gz BJTPTEMLWNGJOG-HTRCEHHLSA-N 0 0 240.190 1.135 20 5 BDBDRN O=C(NC[C@H]1CCCCS1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839722024 585338600 /nfs/dbraw/zinc/33/86/00/585338600.db2.gz AGTPWEUUSWEFKM-IWSPIJDZSA-N 0 0 244.316 1.054 20 5 BDBDRN C[C@H]1CC2(CCC2)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839743621 585339864 /nfs/dbraw/zinc/33/98/64/585339864.db2.gz QTWYUXMDWSDCOW-IVZWLZJFSA-N 0 0 238.287 1.443 20 5 BDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000839783626 585342001 /nfs/dbraw/zinc/34/20/01/585342001.db2.gz SBDKYPUTIRSKJM-LMLFDSFASA-N 0 0 238.287 1.300 20 5 BDBDRN CCCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000758085987 585348869 /nfs/dbraw/zinc/34/88/69/585348869.db2.gz QLCQWNIEZYXUFT-UHFFFAOYSA-N 0 0 242.206 1.883 20 5 BDBDRN CC[C@]1(C)CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000758392845 585355661 /nfs/dbraw/zinc/35/56/61/585355661.db2.gz UBDHGYRAQAFLOC-LLVKDONJSA-N 0 0 238.291 1.871 20 5 BDBDRN O=C(OCCF)c1ccc([N+](=O)[O-])cn1 ZINC000761976965 585423667 /nfs/dbraw/zinc/42/36/67/585423667.db2.gz SRLBDACHKQMNBN-UHFFFAOYSA-N 0 0 214.152 1.116 20 5 BDBDRN Cc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839794603 585433721 /nfs/dbraw/zinc/43/37/21/585433721.db2.gz YXSVTJSKMLAQQL-MVWJERBFSA-N 0 0 248.282 1.837 20 5 BDBDRN COC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762970363 585440312 /nfs/dbraw/zinc/44/03/12/585440312.db2.gz KPHYXFHAEOIWNF-UHFFFAOYSA-N 0 0 239.212 1.386 20 5 BDBDRN CC(C)[C@@H](C)OC(=O)c1c([N+](=O)[O-])cnn1C ZINC000766662320 585504645 /nfs/dbraw/zinc/50/46/45/585504645.db2.gz QWDXARKDOALASM-SSDOTTSWSA-N 0 0 241.247 1.530 20 5 BDBDRN O=C(CSCC[N+](=O)[O-])Nc1ccccc1 ZINC000775191475 585673436 /nfs/dbraw/zinc/67/34/36/585673436.db2.gz HXMBQWYFRAWLSA-UHFFFAOYSA-N 0 0 240.284 1.635 20 5 BDBDRN C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])C[C@@H]1F ZINC000777963242 585724573 /nfs/dbraw/zinc/72/45/73/585724573.db2.gz HDXLPVGFWHKEFP-BDAKNGLRSA-N 0 0 242.254 1.429 20 5 BDBDRN C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@@H]1F ZINC000777968124 585724719 /nfs/dbraw/zinc/72/47/19/585724719.db2.gz MJTINRARKLGDJF-SCZZXKLOSA-N 0 0 242.254 1.429 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CC=CCC2)c2nonc21 ZINC000778591515 585737652 /nfs/dbraw/zinc/73/76/52/585737652.db2.gz HDXISSIOJVWURO-UHFFFAOYSA-N 0 0 246.226 1.897 20 5 BDBDRN Cc1nn(CN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000779860046 585769186 /nfs/dbraw/zinc/76/91/86/585769186.db2.gz RJAGIBQXYONLRJ-QMMMGPOBSA-N 0 0 224.264 1.399 20 5 BDBDRN Cc1cccc([N+](=O)[O-])c1N1C[C@H]2C[C@@]2(CO)C1 ZINC000782401621 585817358 /nfs/dbraw/zinc/81/73/58/585817358.db2.gz FHOZRTQFFCGCPY-MFKMUULPSA-N 0 0 248.282 1.722 20 5 BDBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000782405409 585817723 /nfs/dbraw/zinc/81/77/23/585817723.db2.gz XBTLTWKBVPKFBN-OIBJUYFYSA-N 0 0 240.284 1.475 20 5 BDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OC1CC1 ZINC000783194794 585829927 /nfs/dbraw/zinc/82/99/27/585829927.db2.gz PLOUFZXIJOYMCS-UHFFFAOYSA-N 0 0 221.212 1.843 20 5 BDBDRN O=C(OCc1csc([N+](=O)[O-])c1)C1COC1 ZINC000785777287 585880857 /nfs/dbraw/zinc/88/08/57/585880857.db2.gz VZHBBVPFXDQEFL-UHFFFAOYSA-N 0 0 243.240 1.346 20 5 BDBDRN CC(C)(F)COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000785925913 585883792 /nfs/dbraw/zinc/88/37/92/585883792.db2.gz YPZVPKDYGYGOCT-UHFFFAOYSA-N 0 0 245.210 1.083 20 5 BDBDRN O=[N+]([O-])CCN1CCN(c2ccccc2)CC1 ZINC000791052736 585972826 /nfs/dbraw/zinc/97/28/26/585972826.db2.gz BFYILHJDQCFDAD-UHFFFAOYSA-N 0 0 235.287 1.085 20 5 BDBDRN C[N@H+](CCCOc1ccccc1)CC[N+](=O)[O-] ZINC000791052785 585972846 /nfs/dbraw/zinc/97/28/46/585972846.db2.gz DCBHOGNPDGLCNX-UHFFFAOYSA-N 0 0 238.287 1.664 20 5 BDBDRN C[C@@H](O)COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000791884686 585990246 /nfs/dbraw/zinc/99/02/46/585990246.db2.gz NNIAFYNCBWCNOB-ZCFIWIBFSA-N 0 0 243.190 1.272 20 5 BDBDRN C[C@@H](OC(=O)CO)c1ccccc1[N+](=O)[O-] ZINC000796662519 586109528 /nfs/dbraw/zinc/10/95/28/586109528.db2.gz QMHFJGYEXMUXEH-SSDOTTSWSA-N 0 0 225.200 1.191 20 5 BDBDRN C[C@H](OC(=O)CO)c1cccc([N+](=O)[O-])c1 ZINC000796659590 586109532 /nfs/dbraw/zinc/10/95/32/586109532.db2.gz OKYCEOMOJOIWON-ZETCQYMHSA-N 0 0 225.200 1.191 20 5 BDBDRN CSCCCN(C)Cn1nccc1[N+](=O)[O-] ZINC000799160564 586162841 /nfs/dbraw/zinc/16/28/41/586162841.db2.gz UMVTURWWXYJNML-UHFFFAOYSA-N 0 0 244.320 1.434 20 5 BDBDRN Cn1ccc(CNc2cc(N)ccc2[N+](=O)[O-])n1 ZINC000800861192 586234493 /nfs/dbraw/zinc/23/44/93/586234493.db2.gz FYQWHEVDAOHNIC-UHFFFAOYSA-N 0 0 247.258 1.523 20 5 BDBDRN Nc1ccc(OCc2ncccn2)cc1[N+](=O)[O-] ZINC000808256336 586468935 /nfs/dbraw/zinc/46/89/35/586468935.db2.gz IBUKZCBHAJRHKP-UHFFFAOYSA-N 0 0 246.226 1.546 20 5 BDBDRN Cc1cccc(OCc2cnn(C)n2)c1[N+](=O)[O-] ZINC000809960517 586526328 /nfs/dbraw/zinc/52/63/28/586526328.db2.gz PKPHGFHJJFNLSB-UHFFFAOYSA-N 0 0 248.242 1.611 20 5 BDBDRN O=C(NOC/C=C\Cl)c1cc([N+](=O)[O-])c[nH]1 ZINC000811812844 586567137 /nfs/dbraw/zinc/56/71/37/586567137.db2.gz BLZGHTMFGWZEDJ-UPHRSURJSA-N 0 0 245.622 1.337 20 5 BDBDRN Cn1cncc1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000811845974 586567911 /nfs/dbraw/zinc/56/79/11/586567911.db2.gz IXJQXAMFNWNUSF-UHFFFAOYSA-N 0 0 247.258 1.523 20 5 BDBDRN O=C(NOC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000812790859 586585193 /nfs/dbraw/zinc/58/51/93/586585193.db2.gz AIEJLZMYINTARE-UHFFFAOYSA-N 0 0 236.227 1.809 20 5 BDBDRN CC(C)n1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])n1 ZINC000813102738 586591906 /nfs/dbraw/zinc/59/19/06/586591906.db2.gz UKUJPXSWVOMZME-MRVPVSSYSA-N 0 0 241.247 1.286 20 5 BDBDRN C[C@@H](COC(=O)CC1CCOCC1)[N+](=O)[O-] ZINC000813102353 586592019 /nfs/dbraw/zinc/59/20/19/586592019.db2.gz DYVHISMPQMBJTR-QMMMGPOBSA-N 0 0 231.248 1.012 20 5 BDBDRN C[C@@H](COC(=O)[C@H]1CCC(=O)C[C@H]1C)[N+](=O)[O-] ZINC000813103241 586592098 /nfs/dbraw/zinc/59/20/98/586592098.db2.gz ZFZGDOQYBSCYTH-WEDXCCLWSA-N 0 0 243.259 1.200 20 5 BDBDRN Cc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])o1 ZINC000813102937 586592148 /nfs/dbraw/zinc/59/21/48/586592148.db2.gz WOVCVFISBCSGHG-LURJTMIESA-N 0 0 213.189 1.410 20 5 BDBDRN C[C@H](COC(=O)C1(C(F)(F)F)CC1)[N+](=O)[O-] ZINC000813105060 586592245 /nfs/dbraw/zinc/59/22/45/586592245.db2.gz UZBMDWFBFPZNLS-RXMQYKEDSA-N 0 0 241.165 1.537 20 5 BDBDRN C[C@@H](COC(=O)/C=C1/CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813105595 586592249 /nfs/dbraw/zinc/59/22/49/586592249.db2.gz PWAMLXSYWVFRGG-QJXKICHHSA-N 0 0 227.260 1.941 20 5 BDBDRN C[C@H](COC(=O)c1ccnc(Cl)c1)[N+](=O)[O-] ZINC000813103511 586592449 /nfs/dbraw/zinc/59/24/49/586592449.db2.gz CIUJZQRZGZLMKK-ZCFIWIBFSA-N 0 0 244.634 1.557 20 5 BDBDRN C[C@H](COC(=O)Cc1ccccc1F)[N+](=O)[O-] ZINC000813107653 586592813 /nfs/dbraw/zinc/59/28/13/586592813.db2.gz PUYWDDBBTHILQS-MRVPVSSYSA-N 0 0 241.218 1.577 20 5 BDBDRN C[C@H](COC(=O)c1cccc2cc[nH]c21)[N+](=O)[O-] ZINC000813106268 586592901 /nfs/dbraw/zinc/59/29/01/586592901.db2.gz BUIRXLAGDQDPQT-MRVPVSSYSA-N 0 0 248.238 1.990 20 5 BDBDRN Cc1ncccc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813108094 586593044 /nfs/dbraw/zinc/59/30/44/586593044.db2.gz VARMVNKFZBZKIT-ZETCQYMHSA-N 0 0 224.216 1.212 20 5 BDBDRN CCC/C=C/C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109368 586593188 /nfs/dbraw/zinc/59/31/88/586593188.db2.gz JKYWWHAMXZCQBG-HQZHTGGTSA-N 0 0 201.222 1.551 20 5 BDBDRN C[C@H](COC(=O)CCc1cscn1)[N+](=O)[O-] ZINC000813112304 586593438 /nfs/dbraw/zinc/59/34/38/586593438.db2.gz PEFDENZGLVIBKR-SSDOTTSWSA-N 0 0 244.272 1.284 20 5 BDBDRN C[C@H](COC(=O)[C@@H](C)C1CC1)[N+](=O)[O-] ZINC000813111204 586593472 /nfs/dbraw/zinc/59/34/72/586593472.db2.gz QITKZVSJLXETFD-RQJHMYQMSA-N 0 0 201.222 1.241 20 5 BDBDRN CC(C)[C@H](F)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110436 586593518 /nfs/dbraw/zinc/59/35/18/586593518.db2.gz ARKXHXDVEBKQLZ-BQBZGAKWSA-N 0 0 207.201 1.189 20 5 BDBDRN C[C@H](COC(=O)CCCC1CC1)[N+](=O)[O-] ZINC000813111611 586593520 /nfs/dbraw/zinc/59/35/20/586593520.db2.gz IURCSTBIFJMUAE-MRVPVSSYSA-N 0 0 215.249 1.775 20 5 BDBDRN C[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])C1CC1 ZINC000813111202 586593662 /nfs/dbraw/zinc/59/36/62/586593662.db2.gz QITKZVSJLXETFD-NKWVEPMBSA-N 0 0 201.222 1.241 20 5 BDBDRN C[C@H](COC(=O)C[C@@H](C)n1cccc1)[N+](=O)[O-] ZINC000813114488 586593861 /nfs/dbraw/zinc/59/38/61/586593861.db2.gz CKGZQGJHQDAOLG-NXEZZACHSA-N 0 0 240.259 1.648 20 5 BDBDRN C/C=C(/CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813112780 586594078 /nfs/dbraw/zinc/59/40/78/586594078.db2.gz LDSSXNSTKMRJSE-OJKBXMANSA-N 0 0 201.222 1.551 20 5 BDBDRN C[C@H](COC(=O)C[C@H]1CCC(=O)[C@H]1C)[N+](=O)[O-] ZINC000813112793 586594098 /nfs/dbraw/zinc/59/40/98/586594098.db2.gz LIMCTUKOGPSZHO-HRDYMLBCSA-N 0 0 243.259 1.200 20 5 BDBDRN Cc1nscc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813113976 586594156 /nfs/dbraw/zinc/59/41/56/586594156.db2.gz XIRNOPRNRWHEHW-RXMQYKEDSA-N 0 0 230.245 1.274 20 5 BDBDRN CC(C)C(C)(C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813115660 586594329 /nfs/dbraw/zinc/59/43/29/586594329.db2.gz XGADTZHKCSKSRU-QMMMGPOBSA-N 0 0 217.265 1.877 20 5 BDBDRN C[C@H](COC(=O)[C@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114939 586594352 /nfs/dbraw/zinc/59/43/52/586594352.db2.gz YDLJRTVRFRRNHL-HLTSFMKQSA-N 0 0 231.248 1.010 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000814037315 586611722 /nfs/dbraw/zinc/61/17/22/586611722.db2.gz VWQTUYUZSQAIOK-JQCXWYLXSA-N 0 0 231.248 1.008 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C[C@H]1C=CCC1 ZINC000814036589 586612039 /nfs/dbraw/zinc/61/20/39/586612039.db2.gz GTWRRFOMQDFCBF-IUCAKERBSA-N 0 0 213.233 1.551 20 5 BDBDRN CCC/C(C)=C\C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814038389 586612097 /nfs/dbraw/zinc/61/20/97/586612097.db2.gz PHZLQBLXUXBFEY-JGAIRUGNSA-N 0 0 215.249 1.941 20 5 BDBDRN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814037610 586612098 /nfs/dbraw/zinc/61/20/98/586612098.db2.gz ZKPXWAZVYINIOX-VGMNWLOBSA-N 0 0 215.249 1.487 20 5 BDBDRN CCC(=CC(=O)O[C@@H](C)C[N+](=O)[O-])CC ZINC000814037176 586612151 /nfs/dbraw/zinc/61/21/51/586612151.db2.gz SSYYZQWXTQMFPY-QMMMGPOBSA-N 0 0 215.249 1.941 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000814037313 586612289 /nfs/dbraw/zinc/61/22/89/586612289.db2.gz VWQTUYUZSQAIOK-BZNPZCIMSA-N 0 0 231.248 1.008 20 5 BDBDRN C/C(=C\C(=O)O[C@H](C)C[N+](=O)[O-])C1CC1 ZINC000814039461 586612364 /nfs/dbraw/zinc/61/23/64/586612364.db2.gz 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ZINC000835467392 587803729 /nfs/dbraw/zinc/80/37/29/587803729.db2.gz QPOONTDHTBXUIA-SECBINFHSA-N 0 0 245.275 1.402 20 5 BDBDRN O=C(O[C@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000837325658 587866425 /nfs/dbraw/zinc/86/64/25/587866425.db2.gz OZFBLEYSLSBKIH-LURJTMIESA-N 0 0 243.240 1.602 20 5 BDBDRN O=C(Oc1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841001036 587934025 /nfs/dbraw/zinc/93/40/25/587934025.db2.gz LENWLUQBILJGKQ-RKDXNWHRSA-N 0 0 241.630 1.911 20 5 BDBDRN CO[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000841000482 587934218 /nfs/dbraw/zinc/93/42/18/587934218.db2.gz CQSWUHGOVCMFDD-AXTSPUMRSA-N 0 0 243.259 1.152 20 5 BDBDRN CO[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000841000485 587934279 /nfs/dbraw/zinc/93/42/79/587934279.db2.gz CQSWUHGOVCMFDD-UTINFBMNSA-N 0 0 243.259 1.152 20 5 BDBDRN Cc1cccc(C)c1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000908 587934282 /nfs/dbraw/zinc/93/42/82/587934282.db2.gz HHBWROFJQLRLLB-NXEZZACHSA-N 0 0 235.239 1.874 20 5 BDBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841366132 587952937 /nfs/dbraw/zinc/95/29/37/587952937.db2.gz XJULDQMAQNHMFA-JDDHQFAOSA-N 0 0 226.276 1.155 20 5 BDBDRN O=[N+]([O-])C1C[C@H]1c1nc(-c2ccc(O)cc2)no1 ZINC000841729433 587973244 /nfs/dbraw/zinc/97/32/44/587973244.db2.gz GEMATHMKFPRBBW-RKDXNWHRSA-N 0 0 247.210 1.575 20 5 BDBDRN O=C(NOCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000842106612 588000406 /nfs/dbraw/zinc/00/04/06/588000406.db2.gz KCCIBTCVBRXWMT-UHFFFAOYSA-N 0 0 236.227 1.553 20 5 BDBDRN CCOCCCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842313275 588016469 /nfs/dbraw/zinc/01/64/69/588016469.db2.gz POPNHEWNUSMXFY-RKDXNWHRSA-N 0 0 231.248 1.012 20 5 BDBDRN CC1(C)CC(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842353686 588020812 /nfs/dbraw/zinc/02/08/12/588020812.db2.gz QXHZHWAGLOMMSP-RKDXNWHRSA-N 0 0 227.260 1.631 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000842367267 588021654 /nfs/dbraw/zinc/02/16/54/588021654.db2.gz IEBAHWGMXXASCY-JLLWLGSASA-N 0 0 249.266 1.999 20 5 BDBDRN CC[C@H](C)[C@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])OC ZINC000842370346 588022103 /nfs/dbraw/zinc/02/21/03/588022103.db2.gz SEXGMLMYTJTVOO-JLIMGVALSA-N 0 0 245.275 1.256 20 5 BDBDRN C[S@](=O)CCSc1ccc([N+](=O)[O-])cn1 ZINC000842567807 588042859 /nfs/dbraw/zinc/04/28/59/588042859.db2.gz FKWLLRAAJBSCEJ-HNNXBMFYSA-N 0 0 246.313 1.460 20 5 BDBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C ZINC000843762729 588138143 /nfs/dbraw/zinc/13/81/43/588138143.db2.gz TVLPWPHUVARTQI-UHFFFAOYSA-N 0 0 226.207 1.744 20 5 BDBDRN CCCONC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000844080564 588161499 /nfs/dbraw/zinc/16/14/99/588161499.db2.gz SOGTVHXLSIJTNM-UHFFFAOYSA-N 0 0 238.243 1.975 20 5 BDBDRN Nc1ccc(N[C@@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000845733638 588242721 /nfs/dbraw/zinc/24/27/21/588242721.db2.gz XRJAYBCXIGEVRD-MRVPVSSYSA-N 0 0 243.238 1.309 20 5 BDBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H](CO)CCF)c1 ZINC000845730395 588242771 /nfs/dbraw/zinc/24/27/71/588242771.db2.gz HNJRERMOFQEOFP-MRVPVSSYSA-N 0 0 243.238 1.309 20 5 BDBDRN C/C=C(\C)C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847784368 588329367 /nfs/dbraw/zinc/32/93/67/588329367.db2.gz UFGSUFRYLSQIKS-QPJJXVBHSA-N 0 0 239.231 1.338 20 5 BDBDRN Cc1cnc(N[C@@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC000848708864 588407279 /nfs/dbraw/zinc/40/72/79/588407279.db2.gz FLOCGFGEBCRUOR-ZETCQYMHSA-N 0 0 237.215 1.026 20 5 BDBDRN C[C@@H](O)CCNc1cc([N+](=O)[O-])ccc1F ZINC000849313557 588471479 /nfs/dbraw/zinc/47/14/79/588471479.db2.gz DFXPHHJETLZKJI-SSDOTTSWSA-N 0 0 228.223 1.917 20 5 BDBDRN CCn1cc([N+](=O)[O-])nc1Br ZINC000849990153 588512705 /nfs/dbraw/zinc/51/27/05/588512705.db2.gz OPYVGSRPZVHPNX-UHFFFAOYSA-N 0 0 220.026 1.574 20 5 BDBDRN C[C@H](CC(=O)OC[C@@H](C)[N+](=O)[O-])[C@H]1CCCO1 ZINC000851036080 588584918 /nfs/dbraw/zinc/58/49/18/588584918.db2.gz FJIOQIWXFZRRFS-OPRDCNLKSA-N 0 0 245.275 1.400 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000851044268 588586494 /nfs/dbraw/zinc/58/64/94/588586494.db2.gz CRIDWUZYWCPUTH-KYXWUPHJSA-N 0 0 227.260 1.631 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@]12C[C@H]1COC2(C)C ZINC000851044835 588586505 /nfs/dbraw/zinc/58/65/05/588586505.db2.gz HJLDXLFZGRBBGE-FYBVGQRMSA-N 0 0 243.259 1.010 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)Cc1ccco1 ZINC000851045289 588586674 /nfs/dbraw/zinc/58/66/74/588586674.db2.gz JPFVYZYVCRPIKP-DTWKUNHWSA-N 0 0 241.243 1.667 20 5 BDBDRN CC(C)(COC(=O)[C@H]1CC=CCC1)[N+](=O)[O-] ZINC000851122363 588592252 /nfs/dbraw/zinc/59/22/52/588592252.db2.gz AUOJPANOLCNEEW-VIFPVBQESA-N 0 0 227.260 1.941 20 5 BDBDRN CCO[C@@H](CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125513 588592389 /nfs/dbraw/zinc/59/23/89/588592389.db2.gz GNHSQFDSWCIHLT-QMMMGPOBSA-N 0 0 233.264 1.400 20 5 BDBDRN CC[C@H](OC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125192 588592411 /nfs/dbraw/zinc/59/24/11/588592411.db2.gz APHCXZSSQXODOM-ZETCQYMHSA-N 0 0 219.237 1.010 20 5 BDBDRN Cc1cncc(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851126015 588592796 /nfs/dbraw/zinc/59/27/96/588592796.db2.gz KOTRZFCWJNNNCI-UHFFFAOYSA-N 0 0 238.243 1.602 20 5 BDBDRN CO[C@](C)(C(=O)OCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000851129059 588593103 /nfs/dbraw/zinc/59/31/03/588593103.db2.gz GWEVDJSASGBSJI-NSHDSACASA-N 0 0 245.275 1.400 20 5 BDBDRN C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCC1 ZINC000851140350 588593817 /nfs/dbraw/zinc/59/38/17/588593817.db2.gz BPGFOIOQBHDFQN-FXBDTBDDSA-N 0 0 227.260 1.774 20 5 BDBDRN C[C@H](COC(=O)C[C@@H](C)C(F)(F)F)[N+](=O)[O-] ZINC000860777066 589119255 /nfs/dbraw/zinc/11/92/55/589119255.db2.gz KBAMDDKCMOTZIQ-PHDIDXHHSA-N 0 0 243.181 1.783 20 5 BDBDRN C[C@@H](COC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)[N+](=O)[O-] ZINC000860777792 589119329 /nfs/dbraw/zinc/11/93/29/589119329.db2.gz WEBVNCIKJQKBGO-SQXHDICFSA-N 0 0 245.275 1.254 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000860911826 589131145 /nfs/dbraw/zinc/13/11/45/589131145.db2.gz VSACGJOITDPDIV-UHFFFAOYSA-N 0 0 227.191 1.649 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])C1CCCCC1 ZINC000860911318 589131217 /nfs/dbraw/zinc/13/12/17/589131217.db2.gz JBYHLOJDWOBVLL-UHFFFAOYSA-N 0 0 215.249 1.777 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])c1ccccc1F ZINC000860911580 589131352 /nfs/dbraw/zinc/13/13/52/589131352.db2.gz PJJSOINBHZWQLM-UHFFFAOYSA-N 0 0 227.191 1.649 20 5 BDBDRN CC(C)SCC(=O)OCCC[N+](=O)[O-] ZINC000860914616 589131369 /nfs/dbraw/zinc/13/13/69/589131369.db2.gz ZLQRNBIKLQFKIP-UHFFFAOYSA-N 0 0 221.278 1.338 20 5 BDBDRN C[C@@H](C(=O)OCCC[N+](=O)[O-])C(C)(C)C ZINC000860915301 589131620 /nfs/dbraw/zinc/13/16/20/589131620.db2.gz QRLNTMRYFUEDFA-QMMMGPOBSA-N 0 0 217.265 1.879 20 5 BDBDRN O=C(/C=C\C1CCOCC1)OCCC[N+](=O)[O-] ZINC000860915932 589131487 /nfs/dbraw/zinc/13/14/87/589131487.db2.gz ZQXSFHPGOOKJFF-IHWYPQMZSA-N 0 0 243.259 1.179 20 5 BDBDRN CC[C@@H](C)OCC(=O)OCCC[N+](=O)[O-] ZINC000860917022 589131501 /nfs/dbraw/zinc/13/15/01/589131501.db2.gz FBNFLFHSSCKGRE-MRVPVSSYSA-N 0 0 219.237 1.012 20 5 BDBDRN O=C(C=C(C1CC1)C1CC1)OCCC[N+](=O)[O-] ZINC000860916405 589131644 /nfs/dbraw/zinc/13/16/44/589131644.db2.gz SRSIMKPFMQBHMY-UHFFFAOYSA-N 0 0 239.271 1.943 20 5 BDBDRN CC(C)c1ocnc1C(=O)OCCC[N+](=O)[O-] ZINC000860915304 589131721 /nfs/dbraw/zinc/13/17/21/589131721.db2.gz QSRWVZGAJZUPGS-UHFFFAOYSA-N 0 0 242.231 1.622 20 5 BDBDRN COCC1(C(=O)OCCC[N+](=O)[O-])CCC1 ZINC000860918186 589131793 /nfs/dbraw/zinc/13/17/93/589131793.db2.gz ACWOOWBPFMUZGK-UHFFFAOYSA-N 0 0 231.248 1.013 20 5 BDBDRN C[C@@H]1C[C@@H](C(=O)OCCC[N+](=O)[O-])CCC1=O ZINC000860917604 589131982 /nfs/dbraw/zinc/13/19/82/589131982.db2.gz PCAANYCHQOXRLS-BDAKNGLRSA-N 0 0 243.259 1.202 20 5 BDBDRN O=C(CCc1ccoc1)OCCC[N+](=O)[O-] ZINC000860917823 589131989 /nfs/dbraw/zinc/13/19/89/589131989.db2.gz RFIZRRKKFXJQEI-UHFFFAOYSA-N 0 0 227.216 1.422 20 5 BDBDRN CC(Cl)(Cl)C(=O)OCCC[N+](=O)[O-] ZINC000860919752 589132116 /nfs/dbraw/zinc/13/21/16/589132116.db2.gz NJBSCMYLTDQAAP-UHFFFAOYSA-N 0 0 230.047 1.390 20 5 BDBDRN CC[C@H](C)[C@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860919003 589132151 /nfs/dbraw/zinc/13/21/51/589132151.db2.gz GUQQNAORWKQLKU-IUCAKERBSA-N 0 0 217.265 1.879 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CCCSC1 ZINC000860918841 589132259 /nfs/dbraw/zinc/13/22/59/589132259.db2.gz PRSHSUGIOAHWJI-QMMMGPOBSA-N 0 0 233.289 1.340 20 5 BDBDRN CCCc1[nH]ccc1C(=O)OCCC[N+](=O)[O-] ZINC000860919696 589132283 /nfs/dbraw/zinc/13/22/83/589132283.db2.gz VDDBBYJOGJHAFS-UHFFFAOYSA-N 0 0 240.259 1.791 20 5 BDBDRN CC(C)(C)OCCCC(=O)OCCC[N+](=O)[O-] ZINC000860919312 589132293 /nfs/dbraw/zinc/13/22/93/589132293.db2.gz WQIQMXHGNVMXKE-UHFFFAOYSA-N 0 0 247.291 1.792 20 5 BDBDRN CO[C@H](CC(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860918675 589132318 /nfs/dbraw/zinc/13/23/18/589132318.db2.gz CICAEEDPVWZUIL-SECBINFHSA-N 0 0 233.264 1.258 20 5 BDBDRN O=C(C[C@H]1C=CCCC1)OCCC[N+](=O)[O-] ZINC000860920668 589132459 /nfs/dbraw/zinc/13/24/59/589132459.db2.gz FOZYYOUGPDCGML-JTQLQIEISA-N 0 0 227.260 1.943 20 5 BDBDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860922079 589132884 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586593958 /nfs/dbraw/zinc/59/39/58/586593958.db2.gz GTSGEYHBAPNJRL-VIFPVBQESA-N 0 0 247.291 1.790 20 5 BDBDRN C[C@@H](COC(=O)/C=C/c1ccsc1)[N+](=O)[O-] ZINC000813112945 586594011 /nfs/dbraw/zinc/59/40/11/586594011.db2.gz MLZRIVONEYGFQW-SGJFDWMWSA-N 0 0 241.268 1.970 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000814037314 586611738 /nfs/dbraw/zinc/61/17/38/586611738.db2.gz VWQTUYUZSQAIOK-FNCVBFRFSA-N 0 0 231.248 1.008 20 5 BDBDRN CCC[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814048402 586611875 /nfs/dbraw/zinc/61/18/75/586611875.db2.gz SZYFDVHWMODUEI-YUMQZZPRSA-N 0 0 203.238 1.631 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCc1ccoc1 ZINC000814034591 586611954 /nfs/dbraw/zinc/61/19/54/586611954.db2.gz ITESCOVMBZGENI-QMMMGPOBSA-N 0 0 227.216 1.421 20 5 BDBDRN CCc1oc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc1C ZINC000814034082 586611988 /nfs/dbraw/zinc/61/19/88/586611988.db2.gz GCVNGBFGUMDKRB-QMMMGPOBSA-N 0 0 241.243 1.972 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(F)c1F 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Cc1cccc(C(=O)O[C@H](C)C[N+](=O)[O-])c1 ZINC000814042802 586612649 /nfs/dbraw/zinc/61/26/49/586612649.db2.gz ODKZGVCBWMAIGM-SECBINFHSA-N 0 0 223.228 1.817 20 5 BDBDRN CSCCCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043099 586612651 /nfs/dbraw/zinc/61/26/51/586612651.db2.gz AWTACUHZNBVFFY-MRVPVSSYSA-N 0 0 235.305 1.728 20 5 BDBDRN Cc1ccsc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043052 586612668 /nfs/dbraw/zinc/61/26/68/586612668.db2.gz SEOHILIPGHZDAA-SSDOTTSWSA-N 0 0 229.257 1.879 20 5 BDBDRN Cc1ccccc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044027 586612783 /nfs/dbraw/zinc/61/27/83/586612783.db2.gz AMAAQNJVPLEMLY-VIFPVBQESA-N 0 0 223.228 1.817 20 5 BDBDRN CSC[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044502 586612829 /nfs/dbraw/zinc/61/28/29/586612829.db2.gz GDDLDGHQXDFGGZ-BQBZGAKWSA-N 0 0 221.278 1.194 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ncccc1Cl ZINC000814047305 586612917 /nfs/dbraw/zinc/61/29/17/586612917.db2.gz DAUWTUNTYPXMNW-LURJTMIESA-N 0 0 244.634 1.557 20 5 BDBDRN 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1.579 20 5 BDBDRN O=C(NC[C@@H]1C[C@H]1C1CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000819605856 586980748 /nfs/dbraw/zinc/98/07/48/586980748.db2.gz CCXLRZKQGWASHE-UKKRHICBSA-N 0 0 238.287 1.204 20 5 BDBDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819916441 587002248 /nfs/dbraw/zinc/00/22/48/587002248.db2.gz MUNVXIFNLNQQTJ-SVRRBLITSA-N 0 0 235.243 1.772 20 5 BDBDRN O=C1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000820580960 587055706 /nfs/dbraw/zinc/05/57/06/587055706.db2.gz IIUUKRIBAUSOSN-LURJTMIESA-N 0 0 240.190 1.461 20 5 BDBDRN O=[N+]([O-])c1cnn(Cc2ccc3nonc3c2)c1 ZINC000821075353 587093801 /nfs/dbraw/zinc/09/38/01/587093801.db2.gz VBQGOOTWYAGTBX-UHFFFAOYSA-N 0 0 245.198 1.376 20 5 BDBDRN Cc1cccc(F)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840411196 587098946 /nfs/dbraw/zinc/09/89/46/587098946.db2.gz FLPGESSNCWGXJH-VXNVDRBHSA-N 0 0 238.218 1.738 20 5 BDBDRN C[C@@H](COC(=O)C[C@H](C)n1cccn1)[N+](=O)[O-] ZINC000821166443 587099703 /nfs/dbraw/zinc/09/97/03/587099703.db2.gz 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ZINC000873532383 584650337 /nfs/dbraw/zinc/65/03/37/584650337.db2.gz HDLMTFYBKSZYAE-VIFPVBQESA-N 0 0 245.275 1.543 20 5 BDBDRN C[C@@H](CO)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000731902742 584931201 /nfs/dbraw/zinc/93/12/01/584931201.db2.gz MHKDKXSPFZYFDE-ZETCQYMHSA-N 0 0 236.231 1.035 20 5 BDBDRN O=[N+]([O-])c1cc(F)cc(OC[C@H](O)C2CC2)c1 ZINC000840760483 584947318 /nfs/dbraw/zinc/94/73/18/584947318.db2.gz VGGFJTWIIPGKAT-NSHDSACASA-N 0 0 241.218 1.884 20 5 BDBDRN O=C(OCc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000735967716 584985209 /nfs/dbraw/zinc/98/52/09/584985209.db2.gz JAHRHEXHFSGJAX-UHFFFAOYSA-N 0 0 248.194 1.940 20 5 BDBDRN CCN(Cn1nccc1[N+](=O)[O-])C1CCC1 ZINC000738054283 585040698 /nfs/dbraw/zinc/04/06/98/585040698.db2.gz NIYJINKMZXMBAZ-UHFFFAOYSA-N 0 0 224.264 1.623 20 5 BDBDRN CC(C)OC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838282288 585051791 /nfs/dbraw/zinc/05/17/91/585051791.db2.gz WWFHBADEHOTKOU-SNVBAGLBSA-N 0 0 239.227 1.580 20 5 BDBDRN O=C(OCCF)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838284485 585051863 /nfs/dbraw/zinc/05/18/63/585051863.db2.gz JPUYTGWDYXGLAO-SECBINFHSA-N 0 0 243.190 1.141 20 5 BDBDRN C/C=C(\C)COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000842843292 585059740 /nfs/dbraw/zinc/05/97/40/585059740.db2.gz FUNGMAQDDAUINF-QPJJXVBHSA-N 0 0 239.231 1.451 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)C1CCC1 ZINC000838973671 585083477 /nfs/dbraw/zinc/08/34/77/585083477.db2.gz ZTMPBVYYQGRGQG-HTQZYQBOSA-N 0 0 215.249 1.631 20 5 BDBDRN C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000839454087 585104581 /nfs/dbraw/zinc/10/45/81/585104581.db2.gz DKNUSXROMOEPFW-YUSALJHKSA-N 0 0 248.282 1.572 20 5 BDBDRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839463427 585105550 /nfs/dbraw/zinc/10/55/50/585105550.db2.gz QLBFRQNKJODDHI-DOLQZWNJSA-N 0 0 226.276 1.347 20 5 BDBDRN C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839547682 585330195 /nfs/dbraw/zinc/33/01/95/585330195.db2.gz JBVSIIJMJRWFPP-JMJZKYOTSA-N 0 0 249.270 1.266 20 5 BDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000839663606 585334807 /nfs/dbraw/zinc/33/48/07/585334807.db2.gz UHNYGKOMZCFBOH-GHMZBOCLSA-N 0 0 232.239 1.194 20 5 BDBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000839689744 585335323 /nfs/dbraw/zinc/33/53/23/585335323.db2.gz RTCURJIGYNXPGX-FBIMIBRVSA-N 0 0 240.303 1.737 20 5 BDBDRN CC[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839690635 585335413 /nfs/dbraw/zinc/33/54/13/585335413.db2.gz FAOIJZRISRPHLF-UKKRHICBSA-N 0 0 240.303 1.737 20 5 BDBDRN C[C@H]1CC[C@H](C)N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839695111 585335607 /nfs/dbraw/zinc/33/56/07/585335607.db2.gz YTEDPKHYELQKGZ-AXTSPUMRSA-N 0 0 226.276 1.299 20 5 BDBDRN CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC000839699814 585335958 /nfs/dbraw/zinc/33/59/58/585335958.db2.gz BEBUOFJSOMOWOF-NXEZZACHSA-N 0 0 240.303 1.738 20 5 BDBDRN C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C ZINC000839682583 585337024 /nfs/dbraw/zinc/33/70/24/585337024.db2.gz FQWBDUFOBSBTCQ-IWSPIJDZSA-N 0 0 228.292 1.450 20 5 BDBDRN C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839748473 585340372 /nfs/dbraw/zinc/34/03/72/585340372.db2.gz SKMDPTMKCFMVHG-ZYUZMQFOSA-N 0 0 226.276 1.204 20 5 BDBDRN CCC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)(C)C ZINC000839783265 585342122 /nfs/dbraw/zinc/34/21/22/585342122.db2.gz PXXLTGYTWCIUNX-BBBLOLIVSA-N 0 0 242.319 1.983 20 5 BDBDRN Nc1ccc(C(=O)NC2CC=CC2)cc1[N+](=O)[O-] ZINC000760089600 585385393 /nfs/dbraw/zinc/38/53/93/585385393.db2.gz FLOAMOYEIVOALE-UHFFFAOYSA-N 0 0 247.254 1.625 20 5 BDBDRN COCCCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761974954 585423583 /nfs/dbraw/zinc/42/35/83/585423583.db2.gz FUCXWPZGOOZEIE-UHFFFAOYSA-N 0 0 240.215 1.183 20 5 BDBDRN O=C(NCCC1CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000762187949 585428647 /nfs/dbraw/zinc/42/86/47/585428647.db2.gz UYZRUJHYNAPIGV-UHFFFAOYSA-N 0 0 249.270 1.910 20 5 BDBDRN C/C=C\COC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000765503650 585488537 /nfs/dbraw/zinc/48/85/37/585488537.db2.gz PMDGPNJSABFZNQ-IHWYPQMZSA-N 0 0 236.227 1.910 20 5 BDBDRN CON(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000768695182 585541841 /nfs/dbraw/zinc/54/18/41/585541841.db2.gz MFEKOSXOJZQRHZ-SNVBAGLBSA-N 0 0 226.232 1.121 20 5 BDBDRN Cc1nonc1CNc1ncc([N+](=O)[O-])cc1C ZINC000771226666 585591494 /nfs/dbraw/zinc/59/14/94/585591494.db2.gz ZDKRMRWFFBVXBK-UHFFFAOYSA-N 0 0 249.230 1.602 20 5 BDBDRN Cc1cnc(Cn2c(C)ncc2[N+](=O)[O-])s1 ZINC000771555297 585596095 /nfs/dbraw/zinc/59/60/95/585596095.db2.gz HWZNFZPEIDIHDC-UHFFFAOYSA-N 0 0 238.272 1.913 20 5 BDBDRN CC[C@@H](C)OC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000772056807 585607845 /nfs/dbraw/zinc/60/78/45/585607845.db2.gz LNEVLFWZQVVQKL-ZCFIWIBFSA-N 0 0 227.220 1.284 20 5 BDBDRN CN(Cc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000774528945 585660841 /nfs/dbraw/zinc/66/08/41/585660841.db2.gz HMPAIYYNGPHVEH-UHFFFAOYSA-N 0 0 232.243 1.954 20 5 BDBDRN Cc1nn(CN2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000778576533 585737407 /nfs/dbraw/zinc/73/74/07/585737407.db2.gz HXYMLUJALFIVPH-UHFFFAOYSA-N 0 0 236.275 1.628 20 5 BDBDRN CCON(C)c1nccc(C)c1[N+](=O)[O-] ZINC000780659238 585782906 /nfs/dbraw/zinc/78/29/06/585782906.db2.gz LVOSJCDTMVJFBM-UHFFFAOYSA-N 0 0 211.221 1.686 20 5 BDBDRN CNC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000782206641 585812286 /nfs/dbraw/zinc/81/22/86/585812286.db2.gz INFXLJOHRUXNLQ-UHFFFAOYSA-N 0 0 241.272 1.520 20 5 BDBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)OC1CC1 ZINC000783190761 585829619 /nfs/dbraw/zinc/82/96/19/585829619.db2.gz NJLYHFDOVLKBGL-UHFFFAOYSA-N 0 0 221.212 1.843 20 5 BDBDRN C[C@@H](O)COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000787571799 585911956 /nfs/dbraw/zinc/91/19/56/585911956.db2.gz LVZXBBIMLJTWMN-MRVPVSSYSA-N 0 0 239.227 1.061 20 5 BDBDRN Nc1ccc([N+](=O)[O-])c(NCc2cc[nH]n2)c1 ZINC000787896953 585916935 /nfs/dbraw/zinc/91/69/35/585916935.db2.gz FIZFANOZXLAQRH-UHFFFAOYSA-N 0 0 233.231 1.512 20 5 BDBDRN COC(=O)Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000790299667 585962760 /nfs/dbraw/zinc/96/27/60/585962760.db2.gz GVASBWODWCXDSE-UHFFFAOYSA-N 0 0 225.156 1.553 20 5 BDBDRN COCCN(CC[N+](=O)[O-])Cc1ccc(C)o1 ZINC000791051452 585972801 /nfs/dbraw/zinc/97/28/01/585972801.db2.gz DLBCIWDUNSSTRJ-UHFFFAOYSA-N 0 0 242.275 1.313 20 5 BDBDRN C[C@H](c1cccnc1)N(C)CC[N+](=O)[O-] ZINC000791055808 585973658 /nfs/dbraw/zinc/97/36/58/585973658.db2.gz YTIQQWWHFXQKDA-SECBINFHSA-N 0 0 209.249 1.351 20 5 BDBDRN C[C@H](O)COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000791796557 585988144 /nfs/dbraw/zinc/98/81/44/585988144.db2.gz VFGZQXFWMSJEFM-LURJTMIESA-N 0 0 243.190 1.272 20 5 BDBDRN CC(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000792684753 586004145 /nfs/dbraw/zinc/00/41/45/586004145.db2.gz BHAMYRBZPSDAOD-UHFFFAOYSA-N 0 0 237.211 1.649 20 5 BDBDRN O=[N+]([O-])c1cnccc1NCc1cccnc1F ZINC000795226529 586072838 /nfs/dbraw/zinc/07/28/38/586072838.db2.gz YUDPBFHZZLXRFH-UHFFFAOYSA-N 0 0 248.217 1.558 20 5 BDBDRN CCc1[nH]nc(C(=O)O[C@@H](C)CC)c1[N+](=O)[O-] ZINC000795611646 586088611 /nfs/dbraw/zinc/08/86/11/586088611.db2.gz KMHOYUOZONDKIG-LURJTMIESA-N 0 0 241.247 1.836 20 5 BDBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CC12CCC2 ZINC000860917761 589131991 /nfs/dbraw/zinc/13/19/91/589131991.db2.gz PLWNNOZNYPDRTJ-QMMMGPOBSA-N 0 0 213.233 1.387 20 5 BDBDRN CON(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801510135 586259954 /nfs/dbraw/zinc/25/99/54/586259954.db2.gz FYJFKVFYGRRSAE-UHFFFAOYSA-N 0 0 214.196 1.727 20 5 BDBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc[nH]1 ZINC000802918993 586323417 /nfs/dbraw/zinc/32/34/17/586323417.db2.gz QZYWTCFNHFISHY-LURJTMIESA-N 0 0 249.230 1.137 20 5 BDBDRN CCCc1[nH]nc(C(=O)OCCF)c1[N+](=O)[O-] ZINC000803514662 586362185 /nfs/dbraw/zinc/36/21/85/586362185.db2.gz GJKHFBCCCOXBCS-UHFFFAOYSA-N 0 0 245.210 1.397 20 5 BDBDRN CNC(=S)NNc1ccc([N+](=O)[O-])cc1C ZINC000806589831 586415226 /nfs/dbraw/zinc/41/52/26/586415226.db2.gz KGFJXNSJPGVBEI-UHFFFAOYSA-N 0 0 240.288 1.324 20 5 BDBDRN CCO[C@@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000859721021 589056852 /nfs/dbraw/zinc/05/68/52/589056852.db2.gz YPWHFTAGKXJTCM-BBBLOLIVSA-N 0 0 243.259 1.010 20 5 BDBDRN CC[C@H](C)[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102639 586591866 /nfs/dbraw/zinc/59/18/66/586591866.db2.gz HVYUGQLNSPBRCO-CIUDSAMLSA-N 0 0 217.265 1.877 20 5 BDBDRN CC(C)CCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813101623 586592048 /nfs/dbraw/zinc/59/20/48/586592048.db2.gz FSNUXBOUQFELEQ-MRVPVSSYSA-N 0 0 203.238 1.631 20 5 BDBDRN CC(C)CO[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102462 586592050 /nfs/dbraw/zinc/59/20/50/586592050.db2.gz FUEZXMPAAUCRMY-DTWKUNHWSA-N 0 0 233.264 1.256 20 5 BDBDRN C[C@@H](COC(=O)CC1CCSCC1)[N+](=O)[O-] ZINC000813105052 586592309 /nfs/dbraw/zinc/59/23/09/586592309.db2.gz UPTBFONBVAHEQO-QMMMGPOBSA-N 0 0 247.316 1.728 20 5 BDBDRN C[C@H](COC(=O)/C=C/C(C)(C)C)[N+](=O)[O-] ZINC000813106634 586592335 /nfs/dbraw/zinc/59/23/35/586592335.db2.gz FLMCLRQTHULAOB-HQZHTGGTSA-N 0 0 215.249 1.797 20 5 BDBDRN CCC[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813105558 586592477 /nfs/dbraw/zinc/59/24/77/586592477.db2.gz OLXAOUICHWWNFA-YUMQZZPRSA-N 0 0 203.238 1.631 20 5 BDBDRN C[C@H](COC(=O)[C@@H]1CC1(Cl)Cl)[N+](=O)[O-] ZINC000813104104 586592483 /nfs/dbraw/zinc/59/24/83/586592483.db2.gz JYKCMFFQQIMCHG-UHNVWZDZSA-N 0 0 242.058 1.389 20 5 BDBDRN CCC[C@@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813105557 586592535 /nfs/dbraw/zinc/59/25/35/586592535.db2.gz OLXAOUICHWWNFA-SFYZADRCSA-N 0 0 203.238 1.631 20 5 BDBDRN C[C@@H](COC(=O)[C@@H](C)c1ccccc1)[N+](=O)[O-] ZINC000813104686 586592573 /nfs/dbraw/zinc/59/25/73/586592573.db2.gz PXNRKJLYCWDCOH-UWVGGRQHSA-N 0 0 237.255 1.999 20 5 BDBDRN C[C@@H](COC(=O)[C@H]1CCCOCC1)[N+](=O)[O-] ZINC000813103747 586592591 /nfs/dbraw/zinc/59/25/91/586592591.db2.gz SFXZSGGZJWJHCE-IUCAKERBSA-N 0 0 231.248 1.012 20 5 BDBDRN Cc1cccnc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813105178 586592601 /nfs/dbraw/zinc/59/26/01/586592601.db2.gz KDDVQASATLRYHC-MRVPVSSYSA-N 0 0 224.216 1.212 20 5 BDBDRN CCS[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])C(C)C ZINC000813107522 586592767 /nfs/dbraw/zinc/59/27/67/586592767.db2.gz RWFSILCQLBLDJR-BDAKNGLRSA-N 0 0 249.332 1.973 20 5 BDBDRN Cc1cccc(C(=O)OC[C@@H](C)[N+](=O)[O-])c1F ZINC000813107169 586592982 /nfs/dbraw/zinc/59/29/82/586592982.db2.gz LJAPFAZOIIXMEQ-MRVPVSSYSA-N 0 0 241.218 1.956 20 5 BDBDRN Cc1nc(C(=O)OC[C@H](C)[N+](=O)[O-])sc1C ZINC000813109015 586593174 /nfs/dbraw/zinc/59/31/74/586593174.db2.gz NMQIXBUPOLNOLF-YFKPBYRVSA-N 0 0 244.272 1.582 20 5 BDBDRN Cc1c[nH]cc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109250 586593234 /nfs/dbraw/zinc/59/32/34/586593234.db2.gz QGQVSQVZANFJHA-SSDOTTSWSA-N 0 0 212.205 1.145 20 5 BDBDRN Cc1ccncc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110503 586593514 /nfs/dbraw/zinc/59/35/14/586593514.db2.gz CADPIYMWBFBZJZ-MRVPVSSYSA-N 0 0 224.216 1.212 20 5 BDBDRN CS[C@@H](C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813111082 586593572 /nfs/dbraw/zinc/59/35/72/586593572.db2.gz CATMOXGSDLEWGB-RQJHMYQMSA-N 0 0 221.278 1.336 20 5 BDBDRN C[C@H](COC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000813111794 586593690 /nfs/dbraw/zinc/59/36/90/586593690.db2.gz XLVQPRVLUYHPJU-MRVPVSSYSA-N 0 0 215.249 1.775 20 5 BDBDRN C[C@@H](COC(=O)[C@@]1(C)CCCOC1)[N+](=O)[O-] ZINC000813113828 586593895 /nfs/dbraw/zinc/59/38/95/586593895.db2.gz JRVBNXQEXZBAGN-WPRPVWTQSA-N 0 0 231.248 1.012 20 5 BDBDRN C[C@H](COC(=O)/C=C/C1CCOCC1)[N+](=O)[O-] ZINC000813113124 586594106 /nfs/dbraw/zinc/59/41/06/586594106.db2.gz BKBFHXXTRVQCKW-GKQMSVHHSA-N 0 0 243.259 1.178 20 5 BDBDRN CCO[C@H](CC(=O)OC[C@H](C)[N+](=O)[O-])C(C)C ZINC000813115678 586594246 /nfs/dbraw/zinc/59/42/46/586594246.db2.gz XNOYVQUKPVWJNM-VHSXEESVSA-N 0 0 247.291 1.646 20 5 BDBDRN CC/C=C(/C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813115716 586594290 /nfs/dbraw/zinc/59/42/90/586594290.db2.gz YPZRZODHEMGADK-GRKOMRHMSA-N 0 0 201.222 1.551 20 5 BDBDRN CCCN(CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000813637365 586604922 /nfs/dbraw/zinc/60/49/22/586604922.db2.gz NGCIEESTTJKUPB-UHFFFAOYSA-N 0 0 237.259 1.297 20 5 BDBDRN 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20 5 BDBDRN CS[C@@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045543 586612879 /nfs/dbraw/zinc/61/28/79/586612879.db2.gz UXHZAJYLEFLHTF-BQBZGAKWSA-N 0 0 221.278 1.336 20 5 BDBDRN Cc1ccc(F)c(C(=O)O[C@H](C)C[N+](=O)[O-])c1 ZINC000814047808 586612888 /nfs/dbraw/zinc/61/28/88/586612888.db2.gz OXALYFLSGITPAG-MRVPVSSYSA-N 0 0 241.218 1.956 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1CCSCC1 ZINC000814046535 586612893 /nfs/dbraw/zinc/61/28/93/586612893.db2.gz FZMJNWJFFHNBQU-SSDOTTSWSA-N 0 0 233.289 1.338 20 5 BDBDRN Cc1ccn(C)c1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814046506 586612913 /nfs/dbraw/zinc/61/29/13/586612913.db2.gz LUNDLGOIXIIQQF-QMMMGPOBSA-N 0 0 226.232 1.156 20 5 BDBDRN CC(C)[C@@H](F)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814047514 586613041 /nfs/dbraw/zinc/61/30/41/586613041.db2.gz DHOYOAAENXSLMV-NKWVEPMBSA-N 0 0 207.201 1.189 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)COC(C)(C)C ZINC000814045774 586613086 /nfs/dbraw/zinc/61/30/86/586613086.db2.gz ZBSUDCGTWUNPJS-ZETCQYMHSA-N 0 0 219.237 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CCC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000589724414 346732626 /nfs/dbraw/zinc/73/26/26/346732626.db2.gz RFVPWFZAAHXHIV-UHFFFAOYSA-N 0 0 238.247 1.190 20 5 BDBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCO[C@H]2C[C@H]21 ZINC000590436420 347110599 /nfs/dbraw/zinc/11/05/99/347110599.db2.gz SVSUIQMTLDPHMT-MNOVXSKESA-N 0 0 248.238 1.208 20 5 BDBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)CC(N)=O ZINC000122252573 179206039 /nfs/dbraw/zinc/20/60/39/179206039.db2.gz SEWZXSPSSCQULT-MRVPVSSYSA-N 0 0 237.259 1.579 20 5 BDBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](CO)C1 ZINC000096832866 179206581 /nfs/dbraw/zinc/20/65/81/179206581.db2.gz QQZWYXUDCIVLOZ-SNVBAGLBSA-N 0 0 236.271 1.722 20 5 BDBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCO ZINC000035205298 179206990 /nfs/dbraw/zinc/20/69/90/179206990.db2.gz ANTXFUYEJBZWIZ-UHFFFAOYSA-N 0 0 238.243 1.015 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N2CC(=O)N[C@H](C)C2)c1 ZINC000590721650 347493503 /nfs/dbraw/zinc/49/35/03/347493503.db2.gz JWGKUNQCNYYNSG-SECBINFHSA-N 0 0 249.270 1.228 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CC[C@H](F)C2)nc1 ZINC000590714168 347499571 /nfs/dbraw/zinc/49/95/71/347499571.db2.gz JUDDMVWTOVRQMJ-ZETCQYMHSA-N 0 0 211.196 1.538 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](O)[C@H]2C)c1 ZINC000590726474 347496778 /nfs/dbraw/zinc/49/67/78/347496778.db2.gz YYPFTVDJJRZJJA-BXKDBHETSA-N 0 0 236.271 1.863 20 5 BDBDRN CC[C@@H](CO)N(C)c1ccc([N+](=O)[O-])s1 ZINC000590706542 347498000 /nfs/dbraw/zinc/49/80/00/347498000.db2.gz SBCQQQMMLFQKDZ-ZETCQYMHSA-N 0 0 230.289 1.863 20 5 BDBDRN O=[N+]([O-])c1cc(F)c(Cn2cncn2)c(F)c1 ZINC000590587512 347472657 /nfs/dbraw/zinc/47/26/57/347472657.db2.gz UPCPRTUJKVCTQD-UHFFFAOYSA-N 0 0 240.169 1.513 20 5 BDBDRN C[C@@H]1C[C@@H](O)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000401698531 347585898 /nfs/dbraw/zinc/58/58/98/347585898.db2.gz LVNGFLJJEOXHMK-NXEZZACHSA-N 0 0 236.271 1.802 20 5 BDBDRN C[C@H]1C[C@H](O)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000401698532 347586405 /nfs/dbraw/zinc/58/64/05/347586405.db2.gz LVNGFLJJEOXHMK-UWVGGRQHSA-N 0 0 236.271 1.802 20 5 BDBDRN O=[N+]([O-])c1ncn(C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000359180583 187379635 /nfs/dbraw/zinc/37/96/35/187379635.db2.gz VPSNAWZPYWQPJN-MNOVXSKESA-N 0 0 244.254 1.990 20 5 BDBDRN O=C1NCCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000591183070 347625516 /nfs/dbraw/zinc/62/55/16/347625516.db2.gz IVQRKHYEHMAHIB-VIFPVBQESA-N 0 0 249.270 1.533 20 5 BDBDRN C[C@@H]1[C@H](O)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000591163095 347627951 /nfs/dbraw/zinc/62/79/51/347627951.db2.gz PBCBUCNIAFWRDH-HZGVNTEJSA-N 0 0 241.222 1.088 20 5 BDBDRN CC(C)C1(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000591320935 347638413 /nfs/dbraw/zinc/63/84/13/347638413.db2.gz YBJKUUAMDFUMOW-UHFFFAOYSA-N 0 0 238.247 1.236 20 5 BDBDRN CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359627843 187380024 /nfs/dbraw/zinc/38/00/24/187380024.db2.gz AWKYWYQXGOPPBL-UHFFFAOYSA-N 0 0 236.227 1.336 20 5 BDBDRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000308500592 347715881 /nfs/dbraw/zinc/71/58/81/347715881.db2.gz GKMUOMNNDPLZIT-ZCFIWIBFSA-N 0 0 216.262 1.839 20 5 BDBDRN COCCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000592350219 347767047 /nfs/dbraw/zinc/76/70/47/347767047.db2.gz ZHHVXOMWPRKVLM-UHFFFAOYSA-N 0 0 238.199 1.149 20 5 BDBDRN CCOCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000592347965 347770044 /nfs/dbraw/zinc/77/00/44/347770044.db2.gz AOFRZUWMPGDHRY-UHFFFAOYSA-N 0 0 238.199 1.497 20 5 BDBDRN CC(C)=CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000360163503 187381187 /nfs/dbraw/zinc/38/11/87/187381187.db2.gz BZOGKJIQJFATLK-UHFFFAOYSA-N 0 0 237.259 1.629 20 5 BDBDRN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000592464992 347788857 /nfs/dbraw/zinc/78/88/57/347788857.db2.gz SGGTZXTZYIXCOS-XHNCKOQMSA-N 0 0 249.270 1.841 20 5 BDBDRN CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000592998324 347839439 /nfs/dbraw/zinc/83/94/39/347839439.db2.gz QVIZAZBINWSNSH-UHFFFAOYSA-N 0 0 240.234 1.803 20 5 BDBDRN Cc1c(-c2cc(CO)cc([N+](=O)[O-])c2)cnn1C ZINC000592988638 347837258 /nfs/dbraw/zinc/83/72/58/347837258.db2.gz GHEPUVZOVVCQEV-UHFFFAOYSA-N 0 0 247.254 1.796 20 5 BDBDRN Cc1cncc(CCn2nccc2[N+](=O)[O-])n1 ZINC000593424307 347887854 /nfs/dbraw/zinc/88/78/54/347887854.db2.gz YDIQOSOJHDZIFP-UHFFFAOYSA-N 0 0 233.231 1.132 20 5 BDBDRN C[C@H](CCO)N(C)c1ccccc1[N+](=O)[O-] ZINC000593518684 347903868 /nfs/dbraw/zinc/90/38/68/347903868.db2.gz LQGJUZRXAKWDCO-SECBINFHSA-N 0 0 224.260 1.802 20 5 BDBDRN O=C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])nc1 ZINC000593475460 347895777 /nfs/dbraw/zinc/89/57/77/347895777.db2.gz FUNUDMXVHKWOBL-DTORHVGOSA-N 0 0 247.254 1.690 20 5 BDBDRN O=[N+]([O-])c1ccc2c(c1)nccc2NCCCO ZINC000593460000 347899785 /nfs/dbraw/zinc/89/97/85/347899785.db2.gz YRYWITPIKLHXFT-UHFFFAOYSA-N 0 0 247.254 1.937 20 5 BDBDRN COC(=O)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000577388840 365943149 /nfs/dbraw/zinc/94/31/49/365943149.db2.gz OHASVAIVLGRIID-UHFFFAOYSA-N 0 0 240.215 1.158 20 5 BDBDRN COCC1(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000594592670 348080018 /nfs/dbraw/zinc/08/00/18/348080018.db2.gz RMQKFPFRHDDEJE-UHFFFAOYSA-N 0 0 237.259 1.828 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CC3(CC3(F)F)C2)cn1 ZINC000594589885 348078582 /nfs/dbraw/zinc/07/85/82/348078582.db2.gz SRQWKKOLZSKUFH-UHFFFAOYSA-N 0 0 241.197 1.835 20 5 BDBDRN O=c1ccc([N+](=O)[O-])cn1CC1CC=CC1 ZINC000594880861 348119356 /nfs/dbraw/zinc/11/93/56/348119356.db2.gz GODULISMKGPVHH-UHFFFAOYSA-N 0 0 220.228 1.723 20 5 BDBDRN CO[C@@H](Cn1nccc1[N+](=O)[O-])C1CCC1 ZINC000594886442 348120956 /nfs/dbraw/zinc/12/09/56/348120956.db2.gz QVDYBLRTFUIMEY-VIFPVBQESA-N 0 0 225.248 1.606 20 5 BDBDRN Cc1ncc([N+](=O)[O-])n1Cc1cncs1 ZINC000594887517 348121948 /nfs/dbraw/zinc/12/19/48/348121948.db2.gz MUTRZPVTCZTTTJ-UHFFFAOYSA-N 0 0 224.245 1.605 20 5 BDBDRN C[C@H](O)CN(c1ncc([N+](=O)[O-])s1)C1CC1 ZINC000594599698 348085561 /nfs/dbraw/zinc/08/55/61/348085561.db2.gz MFFSHACAQOWGHV-LURJTMIESA-N 0 0 243.288 1.401 20 5 BDBDRN Cc1noc(CN2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595288399 348213188 /nfs/dbraw/zinc/21/31/88/348213188.db2.gz HQPMJKCYKIFNIV-ZETCQYMHSA-N 0 0 241.247 1.112 20 5 BDBDRN Cc1ncn(Cc2onc(C)c2[N+](=O)[O-])c1C ZINC000595317357 348224706 /nfs/dbraw/zinc/22/47/06/348224706.db2.gz HOVGFZNSQJMEFG-UHFFFAOYSA-N 0 0 236.231 1.753 20 5 BDBDRN Cc1noc(CN2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000595513511 348267008 /nfs/dbraw/zinc/26/70/08/348267008.db2.gz GBERPTUVCCIVOQ-ZETCQYMHSA-N 0 0 229.211 1.435 20 5 BDBDRN Cc1noc(COCc2ncc[nH]2)c1[N+](=O)[O-] ZINC000596024266 348424517 /nfs/dbraw/zinc/42/45/17/348424517.db2.gz PQUQRYWGJUEQPA-UHFFFAOYSA-N 0 0 238.203 1.331 20 5 BDBDRN CC1(C)C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596089123 348443498 /nfs/dbraw/zinc/44/34/98/348443498.db2.gz VJJYTCPMIKQAHU-ZETCQYMHSA-N 0 0 223.232 1.906 20 5 BDBDRN O=c1[nH]ccc(N[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000596138956 348448921 /nfs/dbraw/zinc/44/89/21/348448921.db2.gz PRHCLSBNVUDGOB-LURJTMIESA-N 0 0 241.272 1.613 20 5 BDBDRN CC[C@H](O)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596161070 348459429 /nfs/dbraw/zinc/45/94/29/348459429.db2.gz CDXWNOQNALSZTI-ZETCQYMHSA-N 0 0 241.247 1.268 20 5 BDBDRN C[C@H]1CC[C@H](C)N1c1ccc(N)c([N+](=O)[O-])n1 ZINC000596160255 348459647 /nfs/dbraw/zinc/45/96/47/348459647.db2.gz BQJRIHPOXVSFQR-YUMQZZPRSA-N 0 0 236.275 1.949 20 5 BDBDRN O=c1[nH]ccc(S[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000596204378 348465874 /nfs/dbraw/zinc/46/58/74/348465874.db2.gz CXFHCOQPJUKVNY-LURJTMIESA-N 0 0 242.256 1.576 20 5 BDBDRN C[C@H]1CN(c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000596249510 348473194 /nfs/dbraw/zinc/47/31/94/348473194.db2.gz QMDRPLFEWIZCMD-YUMQZZPRSA-N 0 0 207.233 1.834 20 5 BDBDRN CCC1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596260575 348477924 /nfs/dbraw/zinc/47/79/24/348477924.db2.gz ILQDUBPPQVMBSE-UHFFFAOYSA-N 0 0 223.232 1.542 20 5 BDBDRN Nc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc1[N+](=O)[O-] ZINC000596272233 348493277 /nfs/dbraw/zinc/49/32/77/348493277.db2.gz UUWPUULMXLRQQG-KHQFGBGNSA-N 0 0 248.286 1.594 20 5 BDBDRN Cc1cccc(N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000596454292 348551771 /nfs/dbraw/zinc/55/17/71/348551771.db2.gz SIZOCCFCFBMZJA-UHFFFAOYSA-N 0 0 249.314 1.901 20 5 BDBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000596434703 348546258 /nfs/dbraw/zinc/54/62/58/348546258.db2.gz BBUNLJNEESGRDQ-MRVPVSSYSA-N 0 0 237.259 1.563 20 5 BDBDRN CCO[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000596439219 348547791 /nfs/dbraw/zinc/54/77/91/348547791.db2.gz AMFZJDZWWYBVQV-ZKCHVHJHSA-N 0 0 240.263 1.308 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1N[C@]12C[C@H]1CCC2 ZINC000596317347 348505836 /nfs/dbraw/zinc/50/58/36/348505836.db2.gz RXJCTTVANAOHNJ-GMSGAONNSA-N 0 0 222.248 1.683 20 5 BDBDRN COCCC1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000596366606 348512004 /nfs/dbraw/zinc/51/20/04/348512004.db2.gz QLKTWFQCHIVACD-UHFFFAOYSA-N 0 0 237.259 1.463 20 5 BDBDRN CN(C[C@H]1CC1(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000596567898 348580710 /nfs/dbraw/zinc/58/07/10/348580710.db2.gz QTGZOCXTIYNMOA-MRVPVSSYSA-N 0 0 236.275 1.867 20 5 BDBDRN CN(C[C@@H]1CC1(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000596567899 348580864 /nfs/dbraw/zinc/58/08/64/348580864.db2.gz QTGZOCXTIYNMOA-QMMMGPOBSA-N 0 0 236.275 1.867 20 5 BDBDRN C[C@@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000596480653 348556905 /nfs/dbraw/zinc/55/69/05/348556905.db2.gz ONTBNYSOKCWPCC-JOYOIKCWSA-N 0 0 249.270 1.463 20 5 BDBDRN CN(Cc1cn(C)nn1)c1ccccc1[N+](=O)[O-] ZINC000596484759 348558600 /nfs/dbraw/zinc/55/86/00/348558600.db2.gz SJYPBZMDEJDJOP-UHFFFAOYSA-N 0 0 247.258 1.360 20 5 BDBDRN C[C@H](O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000596489991 348560387 /nfs/dbraw/zinc/56/03/87/348560387.db2.gz XLNOEHUMZSBEMZ-WCBMZHEXSA-N 0 0 237.259 1.339 20 5 BDBDRN C[C@@H](O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000596489989 348560504 /nfs/dbraw/zinc/56/05/04/348560504.db2.gz XLNOEHUMZSBEMZ-PSASIEDQSA-N 0 0 237.259 1.339 20 5 BDBDRN C[C@H](O)C1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000596522981 348563907 /nfs/dbraw/zinc/56/39/07/348563907.db2.gz DUYJOMGGCJFWBH-ZETCQYMHSA-N 0 0 223.232 1.315 20 5 BDBDRN C[C@H](O)C1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000596524103 348564642 /nfs/dbraw/zinc/56/46/42/348564642.db2.gz 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247.258 1.318 20 5 BDBDRN CC(C)(O)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596195400 348458767 /nfs/dbraw/zinc/45/87/67/348458767.db2.gz LIIUTTBPONDUIM-UHFFFAOYSA-N 0 0 241.247 1.268 20 5 BDBDRN Cc1cc(N2CC(CO)C2)c([N+](=O)[O-])s1 ZINC000596197776 348463661 /nfs/dbraw/zinc/46/36/61/348463661.db2.gz ZZCULZYBRFAXHA-UHFFFAOYSA-N 0 0 228.273 1.393 20 5 BDBDRN Nc1ccc(N2CCC[C@H](F)C2)nc1[N+](=O)[O-] ZINC000596219461 348469535 /nfs/dbraw/zinc/46/95/35/348469535.db2.gz ARDHLRZFWKHKIW-ZETCQYMHSA-N 0 0 240.238 1.510 20 5 BDBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)[C@H]1C ZINC000596251957 348474289 /nfs/dbraw/zinc/47/42/89/348474289.db2.gz ZWQAOUNAWQALGE-WDSKDSINSA-N 0 0 213.262 1.896 20 5 BDBDRN Cc1cccc([N+](=O)[O-])c1NC/C=C\CO ZINC000596421327 348541912 /nfs/dbraw/zinc/54/19/12/348541912.db2.gz IHJFXDJEHXTTHW-IHWYPQMZSA-N 0 0 222.244 1.864 20 5 BDBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)C1(CO)CC1 ZINC000596434744 348546159 /nfs/dbraw/zinc/54/61/59/348546159.db2.gz BLOBIVOLIKWERU-LURJTMIESA-N 0 0 243.288 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CCO[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894525427 583477296 /nfs/dbraw/zinc/47/72/96/583477296.db2.gz CAVANLKZEBBEBY-ZKCHVHJHSA-N 0 0 240.263 1.308 20 5 BDBDRN CCC[C@@H](CCO)Nc1c([N+](=O)[O-])cnn1C ZINC000894866850 583538022 /nfs/dbraw/zinc/53/80/22/583538022.db2.gz ALUQESDWWSIVIX-QMMMGPOBSA-N 0 0 242.279 1.291 20 5 BDBDRN Cc1ccc(CNc2c([N+](=O)[O-])cnn2C)o1 ZINC000894976646 583562390 /nfs/dbraw/zinc/56/23/90/583562390.db2.gz DLQPQKNEIVUCTG-UHFFFAOYSA-N 0 0 236.231 1.842 20 5 BDBDRN CCC(=O)COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000727185045 583620687 /nfs/dbraw/zinc/62/06/87/583620687.db2.gz RFCKMJUCCGAGSO-UHFFFAOYSA-N 0 0 240.215 1.069 20 5 BDBDRN CC1=NO[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000895310854 583646901 /nfs/dbraw/zinc/64/69/01/583646901.db2.gz KLFCBTXDKHEEPY-NSHDSACASA-N 0 0 249.270 1.849 20 5 BDBDRN C[C@H]1CCC(=O)CN1c1ncccc1[N+](=O)[O-] ZINC000896338177 583793031 /nfs/dbraw/zinc/79/30/31/583793031.db2.gz BOMFEBDXSBRIRQ-QMMMGPOBSA-N 0 0 235.243 1.548 20 5 BDBDRN Cc1cnc(N2CC(=O)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000896339954 583794003 /nfs/dbraw/zinc/79/40/03/583794003.db2.gz RTXSZKVQHBCWDH-VIFPVBQESA-N 0 0 249.270 1.856 20 5 BDBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@H](CO)C2)c(F)c1 ZINC000896690617 583822213 /nfs/dbraw/zinc/82/22/13/583822213.db2.gz HUOSMIACTMRQAT-LJGSYFOKSA-N 0 0 241.222 1.312 20 5 BDBDRN O=[N+]([O-])c1cn(Cc2cscn2)cn1 ZINC000728156292 583849805 /nfs/dbraw/zinc/84/98/05/583849805.db2.gz AMWKWUSTLGZQHD-UHFFFAOYSA-N 0 0 210.218 1.296 20 5 BDBDRN O=[N+]([O-])c1ccc(SC2COC2)nc1 ZINC000896959213 583864715 /nfs/dbraw/zinc/86/47/15/583864715.db2.gz UFDGPHBIEYGVCC-UHFFFAOYSA-N 0 0 212.230 1.481 20 5 BDBDRN Cc1nc(SC2COC2)ccc1[N+](=O)[O-] ZINC000896961240 583865685 /nfs/dbraw/zinc/86/56/85/583865685.db2.gz VPVIRHKOHZFRMA-UHFFFAOYSA-N 0 0 226.257 1.789 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cn1 ZINC000897072496 583877735 /nfs/dbraw/zinc/87/77/35/583877735.db2.gz QRQRKINKOHVTPG-ULHKAFAUSA-N 0 0 247.254 1.578 20 5 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CCc1ncc(Cn2cc(C)c([N+](=O)[O-])n2)o1 ZINC000902737631 584662508 /nfs/dbraw/zinc/66/25/08/584662508.db2.gz CXLLKLOKLSGBAD-UHFFFAOYSA-N 0 0 236.231 1.698 20 5 BDBDRN C[C@@H](NC(=O)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000902968490 584703004 /nfs/dbraw/zinc/70/30/04/584703004.db2.gz KBIVDWKSNZRSCN-MRVPVSSYSA-N 0 0 238.243 1.154 20 5 BDBDRN COC(=O)NCCNc1sccc1[N+](=O)[O-] ZINC000829417173 584907294 /nfs/dbraw/zinc/90/72/94/584907294.db2.gz BQBQHOAGTVGQOZ-UHFFFAOYSA-N 0 0 245.260 1.424 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(F)(F)F ZINC000838973264 585083402 /nfs/dbraw/zinc/08/34/02/585083402.db2.gz WQIVNGNHMPHDOA-WDSKDSINSA-N 0 0 243.181 1.783 20 5 BDBDRN C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839467041 585104825 /nfs/dbraw/zinc/10/48/25/585104825.db2.gz NTSAFLNVOHRGSE-MVWJERBFSA-N 0 0 248.282 1.871 20 5 BDBDRN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1C ZINC000839472615 585105111 /nfs/dbraw/zinc/10/51/11/585105111.db2.gz CPDQULPEDRNWBA-NZHYYXIDSA-N 0 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586613078 /nfs/dbraw/zinc/61/30/78/586613078.db2.gz DQQHZYMFEDHPEM-RXMQYKEDSA-N 0 0 230.245 1.274 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)/C=C/c1ccco1 ZINC000814047907 586613090 /nfs/dbraw/zinc/61/30/90/586613090.db2.gz YUHCIBUOBOEVCB-ZJELKQJVSA-N 0 0 225.200 1.501 20 5 BDBDRN Cc1cccc(C(=O)O[C@@H](C)C[N+](=O)[O-])n1 ZINC000814048366 586613262 /nfs/dbraw/zinc/61/32/62/586613262.db2.gz SUEIVXPMKWAZCZ-QMMMGPOBSA-N 0 0 224.216 1.212 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCC1CC1 ZINC000814048414 586613287 /nfs/dbraw/zinc/61/32/87/586613287.db2.gz TXZAOOWDUQYPIF-ZETCQYMHSA-N 0 0 201.222 1.385 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCc1cncs1 ZINC000816096724 586707701 /nfs/dbraw/zinc/70/77/01/586707701.db2.gz JSNREKFRUBJKSY-ZETCQYMHSA-N 0 0 244.272 1.284 20 5 BDBDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819916440 587002245 /nfs/dbraw/zinc/00/22/45/587002245.db2.gz MUNVXIFNLNQQTJ-POYBYMJQSA-N 0 0 235.243 1.772 20 5 BDBDRN O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1C=CCC1 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CC(C)(CCC(=O)NCC(C)(F)F)[N+](=O)[O-] ZINC000832876586 587694054 /nfs/dbraw/zinc/69/40/54/587694054.db2.gz FCFVKEWXSYZYMP-UHFFFAOYSA-N 0 0 238.234 1.593 20 5 BDBDRN CC(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000002040328 587734689 /nfs/dbraw/zinc/73/46/89/587734689.db2.gz JTDNAYJQWWTNDA-UHFFFAOYSA-N 0 0 209.201 1.700 20 5 BDBDRN CC(C)(CCC(=O)OCC(F)(F)F)[N+](=O)[O-] ZINC000835081282 587781044 /nfs/dbraw/zinc/78/10/44/587781044.db2.gz HJPPWLAZCBOFIN-UHFFFAOYSA-N 0 0 243.181 1.927 20 5 BDBDRN CC(C)OCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835082037 587781268 /nfs/dbraw/zinc/78/12/68/587781268.db2.gz FFXNFKJRSBVXHR-UHFFFAOYSA-N 0 0 247.291 1.790 20 5 BDBDRN CC(C)(CCC(=O)OC1CCC1)[N+](=O)[O-] ZINC000835191653 587788012 /nfs/dbraw/zinc/78/80/12/587788012.db2.gz NEBQJNDZJVGSPU-UHFFFAOYSA-N 0 0 215.249 1.918 20 5 BDBDRN Cc1ccc(CC(=O)OC[C@@H](C)[N+](=O)[O-])cn1 ZINC000835453790 587802747 /nfs/dbraw/zinc/80/27/47/587802747.db2.gz GOMFRJZPMJEOBI-SECBINFHSA-N 0 0 238.243 1.141 20 5 BDBDRN C[C@H](COC(=O)C1=CC[C@@H](C)CC1)[N+](=O)[O-] ZINC000835454625 587803058 /nfs/dbraw/zinc/80/30/58/587803058.db2.gz LENSILJWXIWAKF-RKDXNWHRSA-N 0 0 227.260 1.941 20 5 BDBDRN CC(C)C[C@@H]1C[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835465987 587803715 /nfs/dbraw/zinc/80/37/15/587803715.db2.gz GNXJSZUFGJVRIK-IVZWLZJFSA-N 0 0 229.276 1.877 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CSC1CC1 ZINC000835468010 587803960 /nfs/dbraw/zinc/80/39/60/587803960.db2.gz XBMOADBPLSFRMS-LURJTMIESA-N 0 0 219.262 1.090 20 5 BDBDRN O=C(OCC(F)(F)C(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671500 587915824 /nfs/dbraw/zinc/91/58/24/587915824.db2.gz VXMOIJHVPZBWDN-QWWZWVQMSA-N 0 0 245.128 1.095 20 5 BDBDRN CCc1ccccc1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673388 587916170 /nfs/dbraw/zinc/91/61/70/587916170.db2.gz MWMHBDMHFRZMRH-VXGBXAGGSA-N 0 0 249.266 1.957 20 5 BDBDRN O=C(O[C@@H]1CCc2cccnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841197926 587948682 /nfs/dbraw/zinc/94/86/82/587948682.db2.gz YCQQKSBQKROILV-OPRDCNLKSA-N 0 0 248.238 1.277 20 5 BDBDRN O=C(O[C@@H]1CCCC[C@H]1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842362736 588021241 /nfs/dbraw/zinc/02/12/41/588021241.db2.gz XDNBDIOHXNZJBC-FNCVBFRFSA-N 0 0 231.223 1.476 20 5 BDBDRN CC[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(F)(F)F ZINC000842369156 588022115 /nfs/dbraw/zinc/02/21/15/588022115.db2.gz HQUYPDVBVCJYAN-PBXRRBTRSA-N 0 0 241.165 1.536 20 5 BDBDRN C[C@@H](c1noc([C@@H]2CC2[N+](=O)[O-])n1)C1CC1 ZINC000842500152 588031228 /nfs/dbraw/zinc/03/12/28/588031228.db2.gz KFOBMFIOIOVSSI-LPBLVHEISA-N 0 0 223.232 1.716 20 5 BDBDRN COCC1(CC(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000842806283 588065305 /nfs/dbraw/zinc/06/53/05/588065305.db2.gz IQQVOVWFDQDFFH-QMMMGPOBSA-N 0 0 231.248 1.012 20 5 BDBDRN C/C=C(\C)COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000842849843 588070091 /nfs/dbraw/zinc/07/00/91/588070091.db2.gz VZLLENCKEWPNJH-FPYGCLRLSA-N 0 0 239.231 1.301 20 5 BDBDRN O=C(NCC1CCC(F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000843725667 588135037 /nfs/dbraw/zinc/13/50/37/588135037.db2.gz HJVKVQUSUUEDBN-YDYPAMBWSA-N 0 0 244.266 1.296 20 5 BDBDRN C/C=C/COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000105384678 588151312 /nfs/dbraw/zinc/15/13/12/588151312.db2.gz RMCWRHOZRPNYMT-NSCUHMNNSA-N 0 0 211.173 1.921 20 5 BDBDRN C[C@H]1C[C@@H]1C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847781577 588330243 /nfs/dbraw/zinc/33/02/43/588330243.db2.gz HFKRDZWESFGFOE-XPUUQOCRSA-N 0 0 239.231 1.028 20 5 BDBDRN O=[N+]([O-])CCOc1ccc(Cl)cc1 ZINC000849171436 588457983 /nfs/dbraw/zinc/45/79/83/588457983.db2.gz WQCRRYOCHKZCTF-UHFFFAOYSA-N 0 0 201.609 1.996 20 5 BDBDRN CNc1ccc([N+](=O)[O-])cc1NCC[C@@H](C)O ZINC000849317572 588471856 /nfs/dbraw/zinc/47/18/56/588471856.db2.gz UHFYPBWUKDCHGN-MRVPVSSYSA-N 0 0 239.275 1.819 20 5 BDBDRN CCCn1nccc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000851035776 588585556 /nfs/dbraw/zinc/58/55/56/588585556.db2.gz ASDVYHMTVIYXOI-MRVPVSSYSA-N 0 0 241.247 1.115 20 5 BDBDRN C[C@@H](COC(=O)[C@@H]1C[C@H]1OC(C)(C)C)[N+](=O)[O-] ZINC000851037412 588585968 /nfs/dbraw/zinc/58/59/68/588585968.db2.gz VCAVEMQWGJKMHI-DJLDLDEBSA-N 0 0 245.275 1.398 20 5 BDBDRN C/C(=C\C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccco1 ZINC000851046558 588586590 /nfs/dbraw/zinc/58/65/90/588586590.db2.gz RKVPKMBTCIEBJC-ORZBULNSSA-N 0 0 239.227 1.891 20 5 BDBDRN CO[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C1CCCC1 ZINC000851046438 588586618 /nfs/dbraw/zinc/58/66/18/588586618.db2.gz QEXYDCHDMLLVHM-WCBMZHEXSA-N 0 0 245.275 1.400 20 5 BDBDRN CCCCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851123768 588592379 /nfs/dbraw/zinc/59/23/79/588592379.db2.gz IYGBCZAZQMNNNL-UHFFFAOYSA-N 0 0 203.238 1.775 20 5 BDBDRN CCC1(C(=O)OCC(C)(C)[N+](=O)[O-])COC1 ZINC000851125301 588592449 /nfs/dbraw/zinc/59/24/49/588592449.db2.gz AYXLGTDZLQINNV-UHFFFAOYSA-N 0 0 231.248 1.012 20 5 BDBDRN CC(C)(COC(=O)CC1CCOCC1)[N+](=O)[O-] ZINC000851126267 588592583 /nfs/dbraw/zinc/59/25/83/588592583.db2.gz MHKKWXRRUPPAOH-UHFFFAOYSA-N 0 0 245.275 1.402 20 5 BDBDRN COCC1(C(=O)OCC(C)(C)[N+](=O)[O-])CC1 ZINC000851127757 588592645 /nfs/dbraw/zinc/59/26/45/588592645.db2.gz VISLTQNDTDREFS-UHFFFAOYSA-N 0 0 231.248 1.012 20 5 BDBDRN C[C@@H]1COCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127955 588592661 /nfs/dbraw/zinc/59/26/61/588592661.db2.gz BVMDHPCUJUQMMG-BDAKNGLRSA-N 0 0 245.275 1.258 20 5 BDBDRN CC(C)(COC(=O)[C@@H]1Cc2ccccc21)[N+](=O)[O-] ZINC000851126331 588592702 /nfs/dbraw/zinc/59/27/02/588592702.db2.gz NDEXGWLGKUUQHC-LLVKDONJSA-N 0 0 249.266 1.925 20 5 BDBDRN CO[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C(C)C ZINC000851128411 588592888 /nfs/dbraw/zinc/59/28/88/588592888.db2.gz VNXBIGPVBHWADT-MRVPVSSYSA-N 0 0 233.264 1.256 20 5 BDBDRN CSCC(C)(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129629 588592944 /nfs/dbraw/zinc/59/29/44/588592944.db2.gz NFCFQSWOJLJEJQ-UHFFFAOYSA-N 0 0 249.332 1.974 20 5 BDBDRN CO[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1CCC1 ZINC000851128837 588593024 /nfs/dbraw/zinc/59/30/24/588593024.db2.gz BVXAHMFTWIUUAG-SECBINFHSA-N 0 0 245.275 1.400 20 5 BDBDRN CC(C)(COC(=O)/C=C\[C@H]1CCOC1)[N+](=O)[O-] ZINC000851129712 588593109 /nfs/dbraw/zinc/59/31/09/588593109.db2.gz QZDCPRRGRTXRCA-TYRPZCRBSA-N 0 0 243.259 1.178 20 5 BDBDRN CC(C)(COC(=O)/C=C\[C@H]1CCCO1)[N+](=O)[O-] ZINC000851129462 588593157 /nfs/dbraw/zinc/59/31/57/588593157.db2.gz NPKUSTIBWOVYLY-SSJHQANKSA-N 0 0 243.259 1.320 20 5 BDBDRN CC(C)(COC(=O)[C@@]1(C)CCCCO1)[N+](=O)[O-] ZINC000851129421 588593170 /nfs/dbraw/zinc/59/31/70/588593170.db2.gz MTODXBWHBLNZIN-LLVKDONJSA-N 0 0 245.275 1.544 20 5 BDBDRN O=C(OC[C@H]1CCC1(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851320429 588601461 /nfs/dbraw/zinc/60/14/61/588601461.db2.gz PRYMBWNBOQSOQS-FSDSQADBSA-N 0 0 235.186 1.240 20 5 BDBDRN CON(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000851722743 588617669 /nfs/dbraw/zinc/61/76/69/588617669.db2.gz PQUFVTXPUHYHII-UHFFFAOYSA-N 0 0 214.196 1.727 20 5 BDBDRN CCO[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C1CC1 ZINC000860786558 589120300 /nfs/dbraw/zinc/12/03/00/589120300.db2.gz CYMVKJWPQKZQNZ-CBAPKCEASA-N 0 0 231.248 1.010 20 5 BDBDRN CCC[C@@H](OCC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000860787078 589120457 /nfs/dbraw/zinc/12/04/57/589120457.db2.gz IQMXKQDILGCUFI-DTWKUNHWSA-N 0 0 233.264 1.400 20 5 BDBDRN CCC[C@@H](OCC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000860866696 589124879 /nfs/dbraw/zinc/12/48/79/589124879.db2.gz VNAGXNWBKJZJKK-SECBINFHSA-N 0 0 247.291 1.790 20 5 BDBDRN CCCCCC(=O)OCCC[N+](=O)[O-] ZINC000860910715 589130883 /nfs/dbraw/zinc/13/08/83/589130883.db2.gz AMCSJNLFJMHASE-UHFFFAOYSA-N 0 0 203.238 1.777 20 5 BDBDRN CCC/C=C/C(=O)OCCC[N+](=O)[O-] ZINC000860914679 589131186 /nfs/dbraw/zinc/13/11/86/589131186.db2.gz BZWYAYANTNHKLQ-GQCTYLIASA-N 0 0 201.222 1.553 20 5 BDBDRN O=C(CC1CCOCC1)OCCC[N+](=O)[O-] ZINC000860915309 589131195 /nfs/dbraw/zinc/13/11/95/589131195.db2.gz QTJOEOXABUAPLB-UHFFFAOYSA-N 0 0 231.248 1.013 20 5 BDBDRN CC(C)[C@H]1C[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920866 589131225 /nfs/dbraw/zinc/13/12/25/589131225.db2.gz IOKGIHYHVPSOSG-RKDXNWHRSA-N 0 0 215.249 1.489 20 5 BDBDRN CC(C)COCCC(=O)OCCC[N+](=O)[O-] ZINC000860914204 589131230 /nfs/dbraw/zinc/13/12/30/589131230.db2.gz QTNUAJFDIIZXPN-UHFFFAOYSA-N 0 0 233.264 1.259 20 5 BDBDRN O=C(/C=C\c1ccco1)OCCC[N+](=O)[O-] ZINC000860911477 589131328 /nfs/dbraw/zinc/13/13/28/589131328.db2.gz MSQTYWREXOYHFV-PLNGDYQASA-N 0 0 225.200 1.503 20 5 BDBDRN Cc1ccc(CC(=O)OCCC[N+](=O)[O-])o1 ZINC000860917433 589131831 /nfs/dbraw/zinc/13/18/31/589131831.db2.gz LQNZELDLESVUKV-UHFFFAOYSA-N 0 0 227.216 1.341 20 5 BDBDRN COCCC1(C(=O)OCCC[N+](=O)[O-])CCC1 ZINC000860917889 589131925 /nfs/dbraw/zinc/13/19/25/589131925.db2.gz SPCUWEBXCKLSCL-UHFFFAOYSA-N 0 0 245.275 1.403 20 5 BDBDRN CSCC(C)(C)C(=O)OCCC[N+](=O)[O-] ZINC000860918567 589132019 /nfs/dbraw/zinc/13/20/19/589132019.db2.gz MLVZELCUUPPHBT-UHFFFAOYSA-N 0 0 235.305 1.586 20 5 BDBDRN C[C@@H](CC(=O)OCCC[N+](=O)[O-])n1ccnc1 ZINC000860919135 589132101 /nfs/dbraw/zinc/13/21/01/589132101.db2.gz JIOFNTVFKXOFEP-VIFPVBQESA-N 0 0 241.247 1.044 20 5 BDBDRN COCC1(C(=O)OCCC[N+](=O)[O-])CCCC1 ZINC000860918716 589132143 /nfs/dbraw/zinc/13/21/43/589132143.db2.gz DKPSICGDBLFARP-UHFFFAOYSA-N 0 0 245.275 1.403 20 5 BDBDRN O=C(CCCC(=O)C1CC1)OCCC[N+](=O)[O-] ZINC000860919277 589132153 /nfs/dbraw/zinc/13/21/53/589132153.db2.gz MTCHTVLIMNGBLH-UHFFFAOYSA-N 0 0 243.259 1.346 20 5 BDBDRN CCC(C)(C)OCC(=O)OCCC[N+](=O)[O-] ZINC000860919794 589132246 /nfs/dbraw/zinc/13/22/46/589132246.db2.gz VXYVZICKUWYBPU-UHFFFAOYSA-N 0 0 233.264 1.402 20 5 BDBDRN CC[C@@H](C)CC(=O)OCCC[N+](=O)[O-] ZINC000860921175 589132591 /nfs/dbraw/zinc/13/25/91/589132591.db2.gz PADDKXVIZWCPLD-MRVPVSSYSA-N 0 0 203.238 1.633 20 5 BDBDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860923348 589132975 /nfs/dbraw/zinc/13/29/75/589132975.db2.gz SBUKSACWLFZMLU-QEYWKRMJSA-N 0 0 245.275 1.256 20 5 BDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCC(F)(F)CC1 ZINC000862713469 589235995 /nfs/dbraw/zinc/23/59/95/589235995.db2.gz KZRLYKAJPNBONK-HTQZYQBOSA-N 0 0 248.229 1.299 20 5 BDBDRN 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CCc1n[nH]c(C(=O)NC2CCC2)c1[N+](=O)[O-] ZINC000264604642 385683091 /nfs/dbraw/zinc/68/30/91/385683091.db2.gz LILCSUIFOVZEGM-UHFFFAOYSA-N 0 0 238.247 1.163 20 5 BDBDRN Nc1nc(N[C@@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000265537282 385688108 /nfs/dbraw/zinc/68/81/08/385688108.db2.gz VUKTVJLZVZBIDO-SSDOTTSWSA-N 0 0 235.247 1.488 20 5 BDBDRN CCCc1n[nH]c(C(=O)N(C)CC)c1[N+](=O)[O-] ZINC000264871992 385688723 /nfs/dbraw/zinc/68/87/23/385688723.db2.gz OWGZKGSGZKWEPB-UHFFFAOYSA-N 0 0 240.263 1.362 20 5 BDBDRN C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])nc2)O1 ZINC000397957934 385732137 /nfs/dbraw/zinc/73/21/37/385732137.db2.gz SQOOJMCDVMGMTA-PSASIEDQSA-N 0 0 237.259 1.969 20 5 BDBDRN O=[N+]([O-])c1cnccc1NCCCCF ZINC000336691621 385732187 /nfs/dbraw/zinc/73/21/87/385732187.db2.gz MTFTWYHLBUNQLK-UHFFFAOYSA-N 0 0 213.212 1.573 20 5 BDBDRN Cc1nc(Cn2cc([N+](=O)[O-])cn2)oc1C ZINC000063536819 385777543 /nfs/dbraw/zinc/77/75/43/385777543.db2.gz TZAQEDNKKZVWEC-UHFFFAOYSA-N 0 0 222.204 1.444 20 5 BDBDRN 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CONC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087059901 386591364 /nfs/dbraw/zinc/59/13/64/386591364.db2.gz ZZSWZVVCQWPGMG-UHFFFAOYSA-N 0 0 224.216 1.205 20 5 BDBDRN CC1(C)CC[C@H](Cn2cc([N+](=O)[O-])cn2)O1 ZINC000184471537 386549238 /nfs/dbraw/zinc/54/92/38/386549238.db2.gz KIJSIXHORPDUNH-SECBINFHSA-N 0 0 225.248 1.749 20 5 BDBDRN CO[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000267735465 386550797 /nfs/dbraw/zinc/55/07/97/386550797.db2.gz WICMWRKGXITNPD-VIFPVBQESA-N 0 0 237.259 1.523 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](CO)C2)cc1 ZINC000051886490 386566625 /nfs/dbraw/zinc/56/66/25/386566625.db2.gz ZWSNSQSHGMAKSR-SECBINFHSA-N 0 0 222.244 1.413 20 5 BDBDRN COC(=O)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000289 386651623 /nfs/dbraw/zinc/65/16/23/386651623.db2.gz GJRUBTSEWCBUGA-UHFFFAOYSA-N 0 0 239.231 1.273 20 5 BDBDRN O=C1CCC[C@H]1CCn1cnc([N+](=O)[O-])c1 ZINC000086530746 386616473 /nfs/dbraw/zinc/61/64/73/386616473.db2.gz QNDZAIOCJBYEPU-QMMMGPOBSA-N 0 0 223.232 1.551 20 5 BDBDRN COc1ccc(O[C@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000232312478 386679541 /nfs/dbraw/zinc/67/95/41/386679541.db2.gz PHHXTNIIXHVNCJ-JGVFFNPUSA-N 0 0 241.243 1.752 20 5 BDBDRN C[C@@H]1CC[C@@H](O)CN1c1ccc([N+](=O)[O-])cn1 ZINC000399353805 386690834 /nfs/dbraw/zinc/69/08/34/386690834.db2.gz ZPILEYSWYOFMBZ-PSASIEDQSA-N 0 0 237.259 1.339 20 5 BDBDRN C[C@H](CCO)CCNc1ncccc1[N+](=O)[O-] ZINC000294959685 386763033 /nfs/dbraw/zinc/76/30/33/386763033.db2.gz NGWZFZBNJNZFOG-VIFPVBQESA-N 0 0 239.275 1.810 20 5 BDBDRN CCCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000414178674 387036360 /nfs/dbraw/zinc/03/63/60/387036360.db2.gz HRYXZCDFUUYYFV-GFCCVEGCSA-N 0 0 249.270 1.435 20 5 BDBDRN CCCCN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000295253632 387038581 /nfs/dbraw/zinc/03/85/81/387038581.db2.gz GYLCHRMNCOFEFS-UHFFFAOYSA-N 0 0 224.264 1.930 20 5 BDBDRN Cc1cnc(OCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000269626329 387163874 /nfs/dbraw/zinc/16/38/74/387163874.db2.gz JVGAGJXFCVDYEA-UHFFFAOYSA-N 0 0 226.232 1.448 20 5 BDBDRN Nc1c(F)c(N[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000295417310 387165265 /nfs/dbraw/zinc/16/52/65/387165265.db2.gz TXHOMGDFRKBIDW-OLQVQODUSA-N 0 0 241.222 1.251 20 5 BDBDRN O=[N+]([O-])c1ccccc1CN1CCO[C@H]2C[C@H]21 ZINC000368326838 387175868 /nfs/dbraw/zinc/17/58/68/387175868.db2.gz DPXPHMZGLRQZSF-NEPJUHHUSA-N 0 0 234.255 1.568 20 5 BDBDRN COCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268639177 387189812 /nfs/dbraw/zinc/18/98/12/387189812.db2.gz SCFJZVICKMUJNG-UHFFFAOYSA-N 0 0 218.596 1.014 20 5 BDBDRN CO[C@@H]1CCC[C@@H]1n1cc([N+](=O)[O-])c(C)n1 ZINC000295473672 387232899 /nfs/dbraw/zinc/23/28/99/387232899.db2.gz YFGNHEMDIYOJJL-WCBMZHEXSA-N 0 0 225.248 1.840 20 5 BDBDRN Cc1noc(CCCn2cnc([N+](=O)[O-])c2)n1 ZINC000268631633 387194822 /nfs/dbraw/zinc/19/48/22/387194822.db2.gz QBWPDZAUXXGULJ-UHFFFAOYSA-N 0 0 237.219 1.116 20 5 BDBDRN CSCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268648638 387197671 /nfs/dbraw/zinc/19/76/71/387197671.db2.gz VBURUHRVCJYBPN-UHFFFAOYSA-N 0 0 248.691 1.773 20 5 BDBDRN O=C(NCCCC1CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000161947120 387278334 /nfs/dbraw/zinc/27/83/34/387278334.db2.gz LFRYQVBCULPTDX-UHFFFAOYSA-N 0 0 238.247 1.238 20 5 BDBDRN Cc1cnc(N[C@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000088503659 387289709 /nfs/dbraw/zinc/28/97/09/387289709.db2.gz KHTHQSLMDCFKET-SECBINFHSA-N 0 0 239.275 1.871 20 5 BDBDRN C[C@@H]1OCCN(c2ncc([N+](=O)[O-])s2)[C@H]1C ZINC000192493730 387383986 /nfs/dbraw/zinc/38/39/86/387383986.db2.gz ZMVRXNLUVDCVII-BQBZGAKWSA-N 0 0 243.288 1.665 20 5 BDBDRN CC[C@@H](F)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000440602679 387373062 /nfs/dbraw/zinc/37/30/62/387373062.db2.gz OLNWTZHSZHINQW-MRVPVSSYSA-N 0 0 228.223 1.813 20 5 BDBDRN CC[C@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000304493751 387487388 /nfs/dbraw/zinc/48/73/88/387487388.db2.gz HXRUZGZXMRAPLD-SSDOTTSWSA-N 0 0 228.223 1.917 20 5 BDBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(N)=O ZINC000123973891 177876593 /nfs/dbraw/zinc/87/65/93/177876593.db2.gz QMELDQIAUYXHNZ-UHFFFAOYSA-N 0 0 208.217 1.619 20 5 BDBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC1 ZINC000046062718 388007362 /nfs/dbraw/zinc/00/73/62/388007362.db2.gz TXYLURZYOGYUTQ-UHFFFAOYSA-N 0 0 249.270 1.899 20 5 BDBDRN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CC(C2CCCC2)C1 ZINC000372976036 388085049 /nfs/dbraw/zinc/08/50/49/388085049.db2.gz DKFKTVPNOGTNKE-MNOVXSKESA-N 0 0 238.287 1.300 20 5 BDBDRN O=[N+]([O-])c1ccc(F)c(NCCO)c1 ZINC000085273514 388085800 /nfs/dbraw/zinc/08/58/00/388085800.db2.gz GEUDSFUKRKUIFV-UHFFFAOYSA-N 0 0 200.169 1.138 20 5 BDBDRN C[C@@H]1[C@H](O)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000590661444 388128732 /nfs/dbraw/zinc/12/87/32/388128732.db2.gz OVMRPUPYNNOAJM-VXNVDRBHSA-N 0 0 242.300 1.611 20 5 BDBDRN CCN(CCSC)c1c([N+](=O)[O-])ncn1C ZINC000591999246 388145209 /nfs/dbraw/zinc/14/52/09/388145209.db2.gz CZVXTSNIZKRROS-UHFFFAOYSA-N 0 0 244.320 1.518 20 5 BDBDRN C[C@@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1C ZINC000131432802 388346220 /nfs/dbraw/zinc/34/62/20/388346220.db2.gz WVURQHAJOSBRJV-RQJHMYQMSA-N 0 0 238.247 1.188 20 5 BDBDRN CC[C@H](O)CCNc1ncccc1[N+](=O)[O-] ZINC000131608150 388346857 /nfs/dbraw/zinc/34/68/57/388346857.db2.gz JUTSLQREAPNUNX-QMMMGPOBSA-N 0 0 225.248 1.563 20 5 BDBDRN CC[C@H](CSC)Nc1c([N+](=O)[O-])ncn1C ZINC000162145863 388347752 /nfs/dbraw/zinc/34/77/52/388347752.db2.gz LBYUVMPGYMTBPS-SSDOTTSWSA-N 0 0 244.320 1.882 20 5 BDBDRN CC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000230020139 388348425 /nfs/dbraw/zinc/34/84/25/388348425.db2.gz GJMBJNQGOYGNEH-ZCFIWIBFSA-N 0 0 244.272 1.157 20 5 BDBDRN C[C@H](CO)Sc1ccc([N+](=O)[O-])nc1 ZINC000162505769 388353204 /nfs/dbraw/zinc/35/32/04/388353204.db2.gz ITQACDWBROZFSV-ZCFIWIBFSA-N 0 0 214.246 1.463 20 5 BDBDRN CC(C)CCNc1c([N+](=O)[O-])ncn1C ZINC000029162125 388354581 /nfs/dbraw/zinc/35/45/81/388354581.db2.gz CSWUEMLQXRVHNZ-UHFFFAOYSA-N 0 0 212.253 1.786 20 5 BDBDRN CC[C@H](C)[C@H](O)CNc1ccncc1[N+](=O)[O-] ZINC000352324805 388360367 /nfs/dbraw/zinc/36/03/67/388360367.db2.gz JFHDTTFCTGLCRD-GZMMTYOYSA-N 0 0 239.275 1.231 20 5 BDBDRN O=[N+]([O-])c1ccc2c(c1)CN(CCCO)CC2 ZINC000304943842 388361466 /nfs/dbraw/zinc/36/14/66/388361466.db2.gz BZMWKRGFFYVDHA-UHFFFAOYSA-N 0 0 236.271 1.335 20 5 BDBDRN C[C@@H](CO)CCCNc1ncccc1[N+](=O)[O-] ZINC000230147578 388363010 /nfs/dbraw/zinc/36/30/10/388363010.db2.gz SJUBFXJYPOLOAH-SECBINFHSA-N 0 0 239.275 1.810 20 5 BDBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1O ZINC000230264065 388364943 /nfs/dbraw/zinc/36/49/43/388364943.db2.gz MCPIAQIAIBJDQM-RQJHMYQMSA-N 0 0 243.288 1.258 20 5 BDBDRN O=[N+]([O-])c1ccc(OCCC2(O)CC2)cc1 ZINC000442844532 388366838 /nfs/dbraw/zinc/36/68/38/388366838.db2.gz WBCNJPXHOKYFRO-UHFFFAOYSA-N 0 0 223.228 1.889 20 5 BDBDRN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N(C)C ZINC000058019091 388371767 /nfs/dbraw/zinc/37/17/67/388371767.db2.gz BIRIVYUYKIKSQG-UHFFFAOYSA-N 0 0 237.259 1.403 20 5 BDBDRN Cc1cnc(OCc2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000271099639 388373231 /nfs/dbraw/zinc/37/32/31/388373231.db2.gz XCFVSGQSRUXJAI-UHFFFAOYSA-N 0 0 248.242 1.611 20 5 BDBDRN Cn1cc(OCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000227963252 388375715 /nfs/dbraw/zinc/37/57/15/388375715.db2.gz APRWDACHCYSICU-UHFFFAOYSA-N 0 0 247.254 1.950 20 5 BDBDRN C[C@H](CO)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771683 388377655 /nfs/dbraw/zinc/37/76/55/388377655.db2.gz QSMMMTLGIQUWRP-ZCFIWIBFSA-N 0 0 236.231 1.264 20 5 BDBDRN O=[N+]([O-])c1ccc(F)cc1OCC1OCCO1 ZINC000133296659 388382804 /nfs/dbraw/zinc/38/28/04/388382804.db2.gz TWWOJTXNFIJWTH-UHFFFAOYSA-N 0 0 243.190 1.486 20 5 BDBDRN CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000059151982 388391411 /nfs/dbraw/zinc/39/14/11/388391411.db2.gz CVIFLZFTUHQLKG-ZETCQYMHSA-N 0 0 208.217 1.792 20 5 BDBDRN CC[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000134061566 388392035 /nfs/dbraw/zinc/39/20/35/388392035.db2.gz JVNFSGPMFWPRMK-NSHDSACASA-N 0 0 239.275 1.871 20 5 BDBDRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000140120091 388402973 /nfs/dbraw/zinc/40/29/73/388402973.db2.gz AFCNAYQQVJGBKL-QMMMGPOBSA-N 0 0 225.248 1.481 20 5 BDBDRN CC[C@@H](CCO)CNc1ncccc1[N+](=O)[O-] ZINC000094957191 388443005 /nfs/dbraw/zinc/44/30/05/388443005.db2.gz CVEQSUAKWUDVSB-VIFPVBQESA-N 0 0 239.275 1.810 20 5 BDBDRN Nc1c(C(=O)NC2CCCC2)cccc1[N+](=O)[O-] ZINC000122777851 388476096 /nfs/dbraw/zinc/47/60/96/388476096.db2.gz QKPFJHKSPJFFML-UHFFFAOYSA-N 0 0 249.270 1.849 20 5 BDBDRN O=C(NCC1CSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597747254 388506957 /nfs/dbraw/zinc/50/69/57/388506957.db2.gz ATERBELIZGWCMA-UHFFFAOYSA-N 0 0 241.272 1.016 20 5 BDBDRN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cn1 ZINC000517231893 256819122 /nfs/dbraw/zinc/81/91/22/256819122.db2.gz XBQXKQHJGGTXQB-AYMMMOKOSA-N 0 0 247.254 1.518 20 5 BDBDRN C[C@@H](O)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000161152208 388667624 /nfs/dbraw/zinc/66/76/24/388667624.db2.gz AXYSXLZEOXONCL-SECBINFHSA-N 0 0 238.287 1.844 20 5 BDBDRN CCS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000077767103 388677461 /nfs/dbraw/zinc/67/74/61/388677461.db2.gz VBQTXKNBEFYDEV-UHFFFAOYSA-N 0 0 243.284 1.838 20 5 BDBDRN Cc1noc(CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000113744810 388677749 /nfs/dbraw/zinc/67/77/49/388677749.db2.gz FOZGXMOUNMOPFH-UHFFFAOYSA-N 0 0 237.219 1.034 20 5 BDBDRN C[C@H]1CCC[C@H]1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554860986 388639211 /nfs/dbraw/zinc/63/92/11/388639211.db2.gz TVSHLIGXLBTYRU-POYBYMJQSA-N 0 0 238.247 1.236 20 5 BDBDRN C[C@H](O)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000123769827 388735044 /nfs/dbraw/zinc/73/50/44/388735044.db2.gz IAGNWXHMEQHXAY-ZETCQYMHSA-N 0 0 228.223 1.917 20 5 BDBDRN O=C(Cn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000447286827 388735796 /nfs/dbraw/zinc/73/57/96/388735796.db2.gz LKFPBFMZXZMOGG-UHFFFAOYSA-N 0 0 238.228 1.131 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCOC(C)C ZINC000276220482 388738264 /nfs/dbraw/zinc/73/82/64/388738264.db2.gz LRUXCLKXDVMVAS-UHFFFAOYSA-N 0 0 240.259 1.490 20 5 BDBDRN CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000276279963 388739355 /nfs/dbraw/zinc/73/93/55/388739355.db2.gz IGWNGAWFKABJKF-YUMQZZPRSA-N 0 0 225.248 1.825 20 5 BDBDRN CC[C@@H](C)CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154855949 388744782 /nfs/dbraw/zinc/74/47/82/388744782.db2.gz CRZRAQQJLLYFRA-SSDOTTSWSA-N 0 0 240.263 1.436 20 5 BDBDRN CO[C@@H](Cn1cc(C)c([N+](=O)[O-])n1)C1CC1 ZINC000424100403 388694169 /nfs/dbraw/zinc/69/41/69/388694169.db2.gz KURTVBNQEHDHTB-VIFPVBQESA-N 0 0 225.248 1.525 20 5 BDBDRN Cc1ocnc1CNc1ncccc1[N+](=O)[O-] ZINC000301876614 388694420 /nfs/dbraw/zinc/69/44/20/388694420.db2.gz SLVLFJXDFHEOHT-UHFFFAOYSA-N 0 0 234.215 1.898 20 5 BDBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCO1 ZINC000526941742 388696269 /nfs/dbraw/zinc/69/62/69/388696269.db2.gz YWRWWWBRJDSTID-UHFFFAOYSA-N 0 0 237.215 1.157 20 5 BDBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CC12CC2 ZINC000425270402 388702283 /nfs/dbraw/zinc/70/22/83/388702283.db2.gz GAJMLDSTDQCIGN-MRVPVSSYSA-N 0 0 205.217 1.954 20 5 BDBDRN COc1cc(N[C@@H]2CC[C@H]2O)ccc1[N+](=O)[O-] ZINC000425290828 388703449 /nfs/dbraw/zinc/70/34/49/388703449.db2.gz YFQCLRVHGNISAI-PSASIEDQSA-N 0 0 238.243 1.539 20 5 BDBDRN C[C@@H](O)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000080047602 388705820 /nfs/dbraw/zinc/70/58/20/388705820.db2.gz WFXAVWBBGSPTIG-MRVPVSSYSA-N 0 0 238.243 1.096 20 5 BDBDRN C[C@@H](O)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000080049993 388706773 /nfs/dbraw/zinc/70/67/73/388706773.db2.gz GEMNQVLXBQBCJW-MRVPVSSYSA-N 0 0 238.243 1.096 20 5 BDBDRN CCN(CCOC)c1ncccc1[N+](=O)[O-] ZINC000299145423 388708111 /nfs/dbraw/zinc/70/81/11/388708111.db2.gz KGWCQGHIBGMUDS-UHFFFAOYSA-N 0 0 225.248 1.463 20 5 BDBDRN O=[N+]([O-])c1cnc2ccc(NCC3CC3)nn21 ZINC000301920116 388708724 /nfs/dbraw/zinc/70/87/24/388708724.db2.gz KLECHSFZRUBJFH-UHFFFAOYSA-N 0 0 233.231 1.459 20 5 BDBDRN O=[N+]([O-])c1cnc(NCCCOC(F)F)nc1 ZINC000193614142 388710422 /nfs/dbraw/zinc/71/04/22/388710422.db2.gz VTBKTBYKTWOROB-UHFFFAOYSA-N 0 0 248.189 1.426 20 5 BDBDRN Nc1ccc([N+](=O)[O-])c(N2C[C@@H](O)C3(CC3)C2)c1 ZINC000374587556 388715988 /nfs/dbraw/zinc/71/59/88/388715988.db2.gz TZBNDRQUNBZIJW-LLVKDONJSA-N 0 0 249.270 1.138 20 5 BDBDRN 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20 5 BDBDRN CCC[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813105555 586592545 /nfs/dbraw/zinc/59/25/45/586592545.db2.gz OLXAOUICHWWNFA-HTQZYQBOSA-N 0 0 203.238 1.631 20 5 BDBDRN C[C@@H](COC(=O)c1cccc2c[nH]nc21)[N+](=O)[O-] ZINC000813107479 586592631 /nfs/dbraw/zinc/59/26/31/586592631.db2.gz OKVZYTDCBUDKLT-ZETCQYMHSA-N 0 0 249.226 1.385 20 5 BDBDRN CCS[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])C(C)C ZINC000813107523 586592789 /nfs/dbraw/zinc/59/27/89/586592789.db2.gz RWFSILCQLBLDJR-DTWKUNHWSA-N 0 0 249.332 1.973 20 5 BDBDRN C[C@@H](COC(=O)c1ccoc1Cl)[N+](=O)[O-] ZINC000813106632 586592934 /nfs/dbraw/zinc/59/29/34/586592934.db2.gz FKFBFNMQUQHCRZ-YFKPBYRVSA-N 0 0 233.607 1.755 20 5 BDBDRN Cc1nc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(C)s1 ZINC000813107584 586592968 /nfs/dbraw/zinc/59/29/68/586592968.db2.gz OOUMAFOXVLUMAM-RXMQYKEDSA-N 0 0 244.272 1.582 20 5 BDBDRN C[C@@H](COC(=O)/C=C/c1ccc[nH]1)[N+](=O)[O-] ZINC000813108880 586593084 /nfs/dbraw/zinc/59/30/84/586593084.db2.gz BMDQNSKHGKPSEJ-ZJELKQJVSA-N 0 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NZWHXQBXPHQQQP-DTWKUNHWSA-N 0 0 245.275 1.258 20 5 BDBDRN C[C@@H](COC(=O)C1(F)CCCCC1)[N+](=O)[O-] ZINC000813111887 586593418 /nfs/dbraw/zinc/59/34/18/586593418.db2.gz BCFUKTPQCDZZFO-QMMMGPOBSA-N 0 0 233.239 1.867 20 5 BDBDRN CSC1(C(=O)OC[C@H](C)[N+](=O)[O-])CCC1 ZINC000813111487 586593512 /nfs/dbraw/zinc/59/35/12/586593512.db2.gz IMMSOUBEHACZLA-ZETCQYMHSA-N 0 0 233.289 1.481 20 5 BDBDRN C[C@H](COC(=O)/C=C\c1cccs1)[N+](=O)[O-] ZINC000813110902 586593526 /nfs/dbraw/zinc/59/35/26/586593526.db2.gz LRBMCLLGAXHYGM-PULIVWKDSA-N 0 0 241.268 1.970 20 5 BDBDRN C[C@H](COC(=O)c1cccc(F)c1F)[N+](=O)[O-] ZINC000813111021 586593534 /nfs/dbraw/zinc/59/35/34/586593534.db2.gz AMCOYBAYDFYLAE-ZCFIWIBFSA-N 0 0 245.181 1.787 20 5 BDBDRN CCCn1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])cn1 ZINC000813110637 586593606 /nfs/dbraw/zinc/59/36/06/586593606.db2.gz GEHWXYDLWFTFJZ-MRVPVSSYSA-N 0 0 241.247 1.115 20 5 BDBDRN C[C@H](COC(=O)CCC1CC1)[N+](=O)[O-] ZINC000813112894 586593906 /nfs/dbraw/zinc/59/39/06/586593906.db2.gz 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/nfs/dbraw/zinc/59/43/87/586594387.db2.gz OVQKIELFAPFMJY-IWSPIJDZSA-N 0 0 215.249 1.631 20 5 BDBDRN CC(C)n1nccc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813114965 586594404 /nfs/dbraw/zinc/59/44/04/586594404.db2.gz YURLTCXXZHNIDB-QMMMGPOBSA-N 0 0 241.247 1.286 20 5 BDBDRN C[C@@H](COC(=O)[C@H]1CCO[C@H](C)C1)[N+](=O)[O-] ZINC000813114941 586594446 /nfs/dbraw/zinc/59/44/46/586594446.db2.gz YDLJRTVRFRRNHL-YIZRAAEISA-N 0 0 231.248 1.010 20 5 BDBDRN Cc1c(C(=O)O[C@@H](C)C[N+](=O)[O-])ccn1C ZINC000814040617 586611772 /nfs/dbraw/zinc/61/17/72/586611772.db2.gz IIMFUNUPPUGXLJ-ZETCQYMHSA-N 0 0 226.232 1.156 20 5 BDBDRN CC(C)CO[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814035946 586611964 /nfs/dbraw/zinc/61/19/64/586611964.db2.gz RJBCPQYWLGTIQS-IUCAKERBSA-N 0 0 233.264 1.256 20 5 BDBDRN CC(=O)c1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])o1 ZINC000814034441 586612073 /nfs/dbraw/zinc/61/20/73/586612073.db2.gz IBUXAWWEYSJFMM-LURJTMIESA-N 0 0 241.199 1.304 20 5 BDBDRN CCC/C(C)=C/C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814038387 586612199 /nfs/dbraw/zinc/61/21/99/586612199.db2.gz PHZLQBLXUXBFEY-BNICOGTQSA-N 0 0 215.249 1.941 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCCC1 ZINC000814038557 586612211 /nfs/dbraw/zinc/61/22/11/586612211.db2.gz RIBODSSHAOPWOL-ZETCQYMHSA-N 0 0 201.222 1.385 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC1(Cl)Cl ZINC000814037805 586612222 /nfs/dbraw/zinc/61/22/22/586612222.db2.gz GWEBVJVESWEOAO-UHNVWZDZSA-N 0 0 242.058 1.389 20 5 BDBDRN CC[C@@](C)(OC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814038938 586612314 /nfs/dbraw/zinc/61/23/14/586612314.db2.gz IPVCQHLLHQIIDY-IONNQARKSA-N 0 0 219.237 1.010 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)o1 ZINC000814039858 586612391 /nfs/dbraw/zinc/61/23/91/586612391.db2.gz BAMQQAICRKRGRL-RXMQYKEDSA-N 0 0 233.607 1.755 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)n1cccc1 ZINC000814040490 586612455 /nfs/dbraw/zinc/61/24/55/586612455.db2.gz HMGWEHHQNLTGPE-NXEZZACHSA-N 0 0 240.259 1.648 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(C)CCC1 ZINC000814039092 586612456 /nfs/dbraw/zinc/61/24/56/586612456.db2.gz XHYSWAXYPQEQJY-SSDOTTSWSA-N 0 0 201.222 1.385 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C(C)(C)C ZINC000814042514 586612538 /nfs/dbraw/zinc/61/25/38/586612538.db2.gz LVCYUBLOHGHWTO-HTQZYQBOSA-N 0 0 217.265 1.877 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)/C=C\c1ccsc1 ZINC000814042842 586612555 /nfs/dbraw/zinc/61/25/55/586612555.db2.gz OUGOLXPDSXFVIG-KZUAUGPASA-N 0 0 241.268 1.970 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCc1ccncc1 ZINC000814040837 586612574 /nfs/dbraw/zinc/61/25/74/586612574.db2.gz MFXJHKWVNKTFSA-VIFPVBQESA-N 0 0 238.243 1.223 20 5 BDBDRN Cc1nsc(C)c1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042710 586612592 /nfs/dbraw/zinc/61/25/92/586612592.db2.gz ZPZNBZVMSVCXCU-YFKPBYRVSA-N 0 0 244.272 1.582 20 5 BDBDRN COC(C)(C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814041946 586612596 /nfs/dbraw/zinc/61/25/96/586612596.db2.gz UCCDMXAFPSYFAH-ZETCQYMHSA-N 0 0 219.237 1.010 20 5 BDBDRN CCOC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CCCC1 ZINC000814041508 586612652 /nfs/dbraw/zinc/61/26/52/586612652.db2.gz APWVBZKPGDLUBL-VIFPVBQESA-N 0 0 245.275 1.544 20 5 BDBDRN COC[C@H](C)[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814043463 586612840 /nfs/dbraw/zinc/61/28/40/586612840.db2.gz XBUQPGRVDICCSJ-CIUDSAMLSA-N 0 0 233.264 1.113 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(F)CCCCC1 ZINC000814047355 586612898 /nfs/dbraw/zinc/61/28/98/586612898.db2.gz UAWDZQGPVOZQKR-MRVPVSSYSA-N 0 0 233.239 1.867 20 5 BDBDRN Cc1cccnc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814048618 586613177 /nfs/dbraw/zinc/61/31/77/586613177.db2.gz VTKXSQSNHFNMLX-MRVPVSSYSA-N 0 0 224.216 1.212 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1C=CCCC1 ZINC000814049961 586613210 /nfs/dbraw/zinc/61/32/10/586613210.db2.gz VFHIUJFZIINFNK-ZJUUUORDSA-N 0 0 227.260 1.941 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](F)c1ccccc1 ZINC000814050802 586613240 /nfs/dbraw/zinc/61/32/40/586613240.db2.gz ZZLBWMIQNKBDFH-WCBMZHEXSA-N 0 0 241.218 1.906 20 5 BDBDRN C[C@H](COC(=O)[C@@H](C)C(C)(F)F)[N+](=O)[O-] ZINC000816091177 586707273 /nfs/dbraw/zinc/70/72/73/586707273.db2.gz NLVMKBGTKFDRNV-PHDIDXHHSA-N 0 0 225.191 1.486 20 5 BDBDRN CCc1nc(C)c(C(=O)OC[C@@H](C)[N+](=O)[O-])o1 ZINC000816091274 586707328 /nfs/dbraw/zinc/70/73/28/586707328.db2.gz QERHSVWTCRCUEN-ZCFIWIBFSA-N 0 0 242.231 1.367 20 5 BDBDRN C[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])C(C)(F)F ZINC000816091176 586707549 /nfs/dbraw/zinc/70/75/49/586707549.db2.gz NLVMKBGTKFDRNV-NTSWFWBYSA-N 0 0 225.191 1.486 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ncoc1C1CC1 ZINC000816096389 586707727 /nfs/dbraw/zinc/70/77/27/586707727.db2.gz AEHTZUHILAINDP-ZCFIWIBFSA-N 0 0 240.215 1.374 20 5 BDBDRN Cc1cc(F)ccc1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840403033 587043138 /nfs/dbraw/zinc/04/31/38/587043138.db2.gz BQSJBGLCKFYFQJ-RKDXNWHRSA-N 0 0 239.202 1.705 20 5 BDBDRN Cc1ncoc1CNc1ccc([N+](=O)[O-])cn1 ZINC000820591719 587057147 /nfs/dbraw/zinc/05/71/47/587057147.db2.gz OBOXUPGXKMNRBE-UHFFFAOYSA-N 0 0 234.215 1.898 20 5 BDBDRN O=C(Nc1cccc(O)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC000840406765 587074647 /nfs/dbraw/zinc/07/46/47/587074647.db2.gz XEGNIQZOEBEXCF-IYSWYEEDSA-N 0 0 240.190 1.135 20 5 BDBDRN O=C1CC[C@@H](COc2ccc([N+](=O)[O-])cc2)O1 ZINC000821058138 587091636 /nfs/dbraw/zinc/09/16/36/587091636.db2.gz YEUGAEXHKIEZST-JTQLQIEISA-N 0 0 237.211 1.679 20 5 BDBDRN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000822386325 587165445 /nfs/dbraw/zinc/16/54/45/587165445.db2.gz FOQHGTGLINDUEC-UHFFFAOYSA-N 0 0 228.292 1.833 20 5 BDBDRN Cc1cc(Cc2noc(CN)n2)ccc1[N+](=O)[O-] ZINC000822862187 587189811 /nfs/dbraw/zinc/18/98/11/587189811.db2.gz ILHMDCSDFWKJRP-UHFFFAOYSA-N 0 0 248.242 1.336 20 5 BDBDRN CON(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000825519073 587322597 /nfs/dbraw/zinc/32/25/97/587322597.db2.gz WFXNFYAPDDUHIF-UHFFFAOYSA-N 0 0 237.259 1.866 20 5 BDBDRN C[C@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CO1 ZINC000826784949 587362498 /nfs/dbraw/zinc/36/24/98/587362498.db2.gz WHYFVDUIMSPYPQ-IONNQARKSA-N 0 0 237.259 1.766 20 5 BDBDRN CS[C@@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827232271 587373401 /nfs/dbraw/zinc/37/34/01/587373401.db2.gz WRSAXVKHXZETMN-QMMMGPOBSA-N 0 0 248.348 1.690 20 5 BDBDRN C[Si](C)(C)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829842037 587522423 /nfs/dbraw/zinc/52/24/23/587522423.db2.gz DZGPWMJBRJVZMU-UHFFFAOYSA-N 0 0 244.283 1.577 20 5 BDBDRN CC[C@@H](C)N(OC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000830469046 587553082 /nfs/dbraw/zinc/55/30/82/587553082.db2.gz PSKLHELBYSIZLT-SSDOTTSWSA-N 0 0 242.231 1.990 20 5 BDBDRN C[C@@H](CF)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832826696 587692355 /nfs/dbraw/zinc/69/23/55/587692355.db2.gz SRQGZJNKFHFWEF-ZETCQYMHSA-N 0 0 220.244 1.296 20 5 BDBDRN COCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835077376 587780444 /nfs/dbraw/zinc/78/04/44/587780444.db2.gz FQQLLEGLVFZLLW-UHFFFAOYSA-N 0 0 219.237 1.012 20 5 BDBDRN C[C@H]1OCC[C@H]1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835313409 587795397 /nfs/dbraw/zinc/79/53/97/587795397.db2.gz BAZPDONQCOJKFO-RKDXNWHRSA-N 0 0 245.275 1.543 20 5 BDBDRN C[C@H](COC(=O)CSC1CC1)[N+](=O)[O-] ZINC000835453645 587802757 /nfs/dbraw/zinc/80/27/57/587802757.db2.gz FFNWNUUCUGVCLK-ZCFIWIBFSA-N 0 0 219.262 1.090 20 5 BDBDRN CCc1cccc(C(=O)OC[C@H](C)[N+](=O)[O-])n1 ZINC000835453625 587802851 /nfs/dbraw/zinc/80/28/51/587802851.db2.gz DQUYDAHMMHNNQA-QMMMGPOBSA-N 0 0 238.243 1.466 20 5 BDBDRN CC/C(C)=C/C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835457690 587803240 /nfs/dbraw/zinc/80/32/40/587803240.db2.gz YYUWZCYXYABCBS-IVGLGHLBSA-N 0 0 201.222 1.551 20 5 BDBDRN C[C@H](COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)[N+](=O)[O-] ZINC000835455965 587803408 /nfs/dbraw/zinc/80/34/08/587803408.db2.gz RGFSIMLFSUQQOW-IMSYWVGJSA-N 0 0 227.260 1.631 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)CSC(F)F ZINC000835466951 587803793 /nfs/dbraw/zinc/80/37/93/587803793.db2.gz MGOVQAKMCXGYJP-SCSAIBSYSA-N 0 0 229.204 1.151 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CC=CCC1 ZINC000835466684 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ZINC000813102060 586592223 /nfs/dbraw/zinc/59/22/23/586592223.db2.gz AKDBUAULSWZIIS-SFYZADRCSA-N 0 0 233.289 1.338 20 5 BDBDRN CCCC1(C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC000813107346 586592656 /nfs/dbraw/zinc/59/26/56/586592656.db2.gz PJLIDJXGCMQXCO-MRVPVSSYSA-N 0 0 215.249 1.775 20 5 BDBDRN CCC1(C(=O)OC[C@@H](C)[N+](=O)[O-])CCC1 ZINC000813107553 586592869 /nfs/dbraw/zinc/59/28/69/586592869.db2.gz SVFDTPJMBOXQFG-MRVPVSSYSA-N 0 0 215.249 1.775 20 5 BDBDRN C[C@@H](COC(=O)CCCC(F)(F)F)[N+](=O)[O-] ZINC000813106232 586592966 /nfs/dbraw/zinc/59/29/66/586592966.db2.gz BBAPEJQRFWULHD-LURJTMIESA-N 0 0 243.181 1.927 20 5 BDBDRN Cc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813108679 586593146 /nfs/dbraw/zinc/59/31/46/586593146.db2.gz JQWNZOOBAOPRMO-VIFPVBQESA-N 0 0 223.228 1.817 20 5 BDBDRN C[C@@H](COC(=O)[C@H]1CCC(=O)[C@H](C)C1)[N+](=O)[O-] ZINC000813109880 586593184 /nfs/dbraw/zinc/59/31/84/586593184.db2.gz PVMVBGSMSGAQJT-VGMNWLOBSA-N 0 0 243.259 1.200 20 5 BDBDRN 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/nfs/dbraw/zinc/12/20/43/345122043.db2.gz VHNOJPMLRKZNQY-GFCCVEGCSA-N 0 0 236.271 1.802 20 5 BDBDRN COc1cc(F)c([N+](=O)[O-])c(N(C)OC)c1 ZINC000091601791 345600991 /nfs/dbraw/zinc/60/09/91/345600991.db2.gz GRLSDURSZSQCIX-UHFFFAOYSA-N 0 0 230.195 1.740 20 5 BDBDRN CC(C)N(C)C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000418939057 192090537 /nfs/dbraw/zinc/09/05/37/192090537.db2.gz QLHJCLJNUMTRBV-MRVPVSSYSA-N 0 0 240.263 1.219 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)CO)n1 ZINC000127032387 178929795 /nfs/dbraw/zinc/92/97/95/178929795.db2.gz OGZDQCZXZBPXDC-IONNQARKSA-N 0 0 239.275 1.727 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)CO)n1 ZINC000127032659 178930971 /nfs/dbraw/zinc/93/09/71/178930971.db2.gz OGZDQCZXZBPXDC-APPZFPTMSA-N 0 0 239.275 1.727 20 5 BDBDRN CC[C@@H](Cn1cc(C)c([N+](=O)[O-])n1)OC ZINC000418972328 192092981 /nfs/dbraw/zinc/09/29/81/192092981.db2.gz MQGAGCBQTUBUCG-QMMMGPOBSA-N 0 0 213.237 1.525 20 5 BDBDRN C[C@H]1CCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601108489 346066627 /nfs/dbraw/zinc/06/66/27/346066627.db2.gz LNGQRMBHEXCBTO-LURJTMIESA-N 0 0 211.196 1.728 20 5 BDBDRN CC[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000586923898 346167843 /nfs/dbraw/zinc/16/78/43/346167843.db2.gz UAQVALUCWFEWHZ-ZETCQYMHSA-N 0 0 239.275 1.880 20 5 BDBDRN C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1O ZINC000614529105 346188382 /nfs/dbraw/zinc/18/83/82/346188382.db2.gz PYXNEZIDKJPDCW-APPZFPTMSA-N 0 0 242.300 1.863 20 5 BDBDRN CC[C@H](CNc1ncc(F)cc1[N+](=O)[O-])OC ZINC000401124722 346235715 /nfs/dbraw/zinc/23/57/15/346235715.db2.gz LGLOWQWRVYRPQA-MRVPVSSYSA-N 0 0 243.238 1.966 20 5 BDBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[C@H](C)O ZINC000128284689 346237936 /nfs/dbraw/zinc/23/79/36/346237936.db2.gz DAQNSJFTMRCFOI-IUCAKERBSA-N 0 0 239.275 1.870 20 5 BDBDRN Cc1cccc(C(=O)N[C@H](C)CF)c1[N+](=O)[O-] ZINC000288240480 179023257 /nfs/dbraw/zinc/02/32/57/179023257.db2.gz OPPUOTIXPVSVAH-MRVPVSSYSA-N 0 0 240.234 1.991 20 5 BDBDRN Cc1cccc(C(=O)NC[C@H](C)O)c1[N+](=O)[O-] ZINC000035107992 179018386 /nfs/dbraw/zinc/01/83/86/179018386.db2.gz QQGSYEKWXFHGMQ-QMMMGPOBSA-N 0 0 238.243 1.014 20 5 BDBDRN C[C@@H]1C[C@H](O)CN1c1ccc([N+](=O)[O-])s1 ZINC000615946102 346288719 /nfs/dbraw/zinc/28/87/19/346288719.db2.gz VVEUMLUIZMXOAK-RQJHMYQMSA-N 0 0 228.273 1.616 20 5 BDBDRN O=[N+]([O-])c1cc(F)cnc1N1CC(F)C1 ZINC000601141667 346352061 /nfs/dbraw/zinc/35/20/61/346352061.db2.gz OBZNZMXUOZNLLG-UHFFFAOYSA-N 0 0 215.159 1.287 20 5 BDBDRN CCOCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401180131 346395222 /nfs/dbraw/zinc/39/52/22/346395222.db2.gz DUZIWCBYSLQQGV-UHFFFAOYSA-N 0 0 229.211 1.577 20 5 BDBDRN Cc1ccnc(N2CC([C@@H](C)O)C2)c1[N+](=O)[O-] ZINC000603410347 349959755 /nfs/dbraw/zinc/95/97/55/349959755.db2.gz RPAGBQRQHDBGEU-MRVPVSSYSA-N 0 0 237.259 1.115 20 5 BDBDRN Cc1cccc(N(C)CCC(N)=O)c1[N+](=O)[O-] ZINC000286292006 179116838 /nfs/dbraw/zinc/11/68/38/179116838.db2.gz GVXSRURSJRSGND-UHFFFAOYSA-N 0 0 237.259 1.215 20 5 BDBDRN O=[N+]([O-])c1ccsc1NC[C@@]1(O)CCOC1 ZINC000309559900 347101946 /nfs/dbraw/zinc/10/19/46/347101946.db2.gz IZSDQQBEMAELGO-VIFPVBQESA-N 0 0 244.272 1.220 20 5 BDBDRN Cc1cccc(N2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000218850124 179122032 /nfs/dbraw/zinc/12/20/32/179122032.db2.gz XSXBLDUTKILTHB-SECBINFHSA-N 0 0 222.244 1.474 20 5 BDBDRN O=C1NCCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000205194957 346670703 /nfs/dbraw/zinc/67/07/03/346670703.db2.gz LEZPOXPTMKXYTN-NSHDSACASA-N 0 0 249.270 1.675 20 5 BDBDRN O=[N+]([O-])c1ncccc1N1CCC[C@H]2C[C@H]21 ZINC000588066639 346631714 /nfs/dbraw/zinc/63/17/14/346631714.db2.gz UMSZCRXUONOOFS-WCBMZHEXSA-N 0 0 219.244 1.979 20 5 BDBDRN CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188017621 346693239 /nfs/dbraw/zinc/69/32/39/346693239.db2.gz OLPZAQZLRMEZEB-UHFFFAOYSA-N 0 0 226.257 1.676 20 5 BDBDRN C[C@H]1CN(c2sccc2[N+](=O)[O-])CCO1 ZINC000590146072 346780593 /nfs/dbraw/zinc/78/05/93/346780593.db2.gz BLJVVTTVWSIVKZ-ZETCQYMHSA-N 0 0 228.273 1.881 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CCO[C@H]3C[C@H]32)s1 ZINC000589871996 346748055 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187815381 /nfs/dbraw/zinc/81/53/81/187815381.db2.gz YDZOUNSJJQZCLQ-ZETCQYMHSA-N 0 0 249.270 1.904 20 5 BDBDRN CC(=O)OCCCCn1cc([N+](=O)[O-])c(C)n1 ZINC000295324997 187863227 /nfs/dbraw/zinc/86/32/27/187863227.db2.gz LZDHGROZARHVMI-UHFFFAOYSA-N 0 0 241.247 1.443 20 5 BDBDRN O=C(NCCCF)c1csc([N+](=O)[O-])c1 ZINC000178074303 366086001 /nfs/dbraw/zinc/08/60/01/366086001.db2.gz LCPVKDSFSSHPHV-UHFFFAOYSA-N 0 0 232.236 1.746 20 5 BDBDRN CN(CC(C)(C)O)c1ncc([N+](=O)[O-])s1 ZINC000189692024 353316416 /nfs/dbraw/zinc/31/64/16/353316416.db2.gz GAKGWZPFKPBQSW-UHFFFAOYSA-N 0 0 231.277 1.258 20 5 BDBDRN C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])cn2)O1 ZINC000190682843 353409583 /nfs/dbraw/zinc/40/95/83/353409583.db2.gz KQAYIMYPDNMPSL-IONNQARKSA-N 0 0 211.221 1.359 20 5 BDBDRN Cc1ccc(OCc2nnnn2C)cc1[N+](=O)[O-] ZINC000339182951 188546712 /nfs/dbraw/zinc/54/67/12/188546712.db2.gz NRGFYKVRCRGPJV-UHFFFAOYSA-N 0 0 249.230 1.006 20 5 BDBDRN CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000053495237 363356929 /nfs/dbraw/zinc/35/69/29/363356929.db2.gz NLXWFXOACAXDNK-SSDOTTSWSA-N 0 0 225.248 1.697 20 5 BDBDRN O=[N+]([O-])c1ccnn1CCC1(O)CCC1 ZINC000412996402 191332979 /nfs/dbraw/zinc/33/29/79/191332979.db2.gz UXUXXNZSLUMBOT-UHFFFAOYSA-N 0 0 211.221 1.096 20 5 BDBDRN CCC[C@H](O)Cn1ccc(C)c([N+](=O)[O-])c1=O ZINC000413003444 191336774 /nfs/dbraw/zinc/33/67/74/191336774.db2.gz XAQWMNRTTSCNAX-VIFPVBQESA-N 0 0 240.259 1.226 20 5 BDBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H](CF)C2)nc1 ZINC000413467722 191383862 /nfs/dbraw/zinc/38/38/62/191383862.db2.gz ANUKBGZVSKVQIF-VIFPVBQESA-N 0 0 241.222 1.165 20 5 BDBDRN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000413450664 191385458 /nfs/dbraw/zinc/38/54/58/191385458.db2.gz GFUIWGCLNHGSEQ-QMMMGPOBSA-N 0 0 247.258 1.896 20 5 BDBDRN Cc1ccnc(N2CC(CF)C2)c1[N+](=O)[O-] ZINC000413502305 191385587 /nfs/dbraw/zinc/38/55/87/191385587.db2.gz NAMDKJGOWNALMV-UHFFFAOYSA-N 0 0 225.223 1.704 20 5 BDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC(CF)C1 ZINC000413495540 191390842 /nfs/dbraw/zinc/39/08/42/191390842.db2.gz BTKKEWQKLGRFNX-UHFFFAOYSA-N 0 0 242.254 1.525 20 5 BDBDRN O=[N+]([O-])c1cnc(N2CC(F)C2)c(F)c1 ZINC000413222962 191365530 /nfs/dbraw/zinc/36/55/30/191365530.db2.gz CLKMPQHZQXYVRX-UHFFFAOYSA-N 0 0 215.159 1.287 20 5 BDBDRN O=[N+]([O-])c1ccc(Cn2ccnn2)c(Cl)c1 ZINC000352015538 134035848 /nfs/dbraw/zinc/03/58/48/134035848.db2.gz ZEISVKRGJMVGNY-UHFFFAOYSA-N 0 0 238.634 1.888 20 5 BDBDRN CCC1CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413364139 191375094 /nfs/dbraw/zinc/37/50/94/191375094.db2.gz NRYOOKRFVBPFMR-UHFFFAOYSA-N 0 0 225.223 1.975 20 5 BDBDRN Cc1c(C(=O)NC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000035107620 355807472 /nfs/dbraw/zinc/80/74/72/355807472.db2.gz KTYFEUYZQQPHLC-ZETCQYMHSA-N 0 0 238.243 1.014 20 5 BDBDRN O=[N+]([O-])c1ccc(OCCCF)cc1CO ZINC000428082316 191878520 /nfs/dbraw/zinc/87/85/20/191878520.db2.gz YOZZFTDNBQORIQ-UHFFFAOYSA-N 0 0 229.207 1.826 20 5 BDBDRN COc1ccc([N+](=O)[O-])cc1CSCCO ZINC000035189244 355874018 /nfs/dbraw/zinc/87/40/18/355874018.db2.gz BCQUMCCMIYXTLP-UHFFFAOYSA-N 0 0 243.284 1.829 20 5 BDBDRN Cc1c(C(=O)N[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000035204463 355888061 /nfs/dbraw/zinc/88/80/61/355888061.db2.gz ICJKNQWCABMHBA-ZETCQYMHSA-N 0 0 238.243 1.014 20 5 BDBDRN CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000087841282 356080307 /nfs/dbraw/zinc/08/03/07/356080307.db2.gz GEAXGAYDCWENFG-UHFFFAOYSA-N 0 0 211.221 1.819 20 5 BDBDRN CCC(CC)(CO)Nc1ccc([N+](=O)[O-])nc1 ZINC000053297829 356242831 /nfs/dbraw/zinc/24/28/31/356242831.db2.gz AJVPOIOYXUTXQH-UHFFFAOYSA-N 0 0 239.275 1.953 20 5 BDBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000035216685 356318116 /nfs/dbraw/zinc/31/81/16/356318116.db2.gz TWYIKMYXBMTAQG-PSASIEDQSA-N 0 0 237.259 1.969 20 5 BDBDRN CC(C)(O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352184360 134097599 /nfs/dbraw/zinc/09/75/99/134097599.db2.gz PXGHKGPPPGMYEU-UHFFFAOYSA-N 0 0 242.206 1.443 20 5 BDBDRN Cc1cnc(N2CC[C@@]23CCOC3)c([N+](=O)[O-])c1 ZINC000420640361 192254573 /nfs/dbraw/zinc/25/45/73/192254573.db2.gz MLQCRIOMZVJCIB-LBPRGKRZSA-N 0 0 249.270 1.667 20 5 BDBDRN O=[N+]([O-])c1cccc2c1CCN2C[C@H]1C[C@@H](O)C1 ZINC000420934576 192287500 /nfs/dbraw/zinc/28/75/00/192287500.db2.gz KEGHWWVWMBFQKJ-AOOOYVTPSA-N 0 0 248.282 1.728 20 5 BDBDRN COCCCNc1ccc([N+](=O)[O-])nc1 ZINC000054613683 363518846 /nfs/dbraw/zinc/51/88/46/363518846.db2.gz IMGBYRMJLZYWHF-UHFFFAOYSA-N 0 0 211.221 1.438 20 5 BDBDRN Cc1nc(NC[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000450344801 202134141 /nfs/dbraw/zinc/13/41/41/202134141.db2.gz IYRKJDSMXFZBLJ-MRVPVSSYSA-N 0 0 238.291 1.819 20 5 BDBDRN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCO1 ZINC000384547637 356665385 /nfs/dbraw/zinc/66/53/85/356665385.db2.gz IKJPXQALQAVZFH-WAYWQWQTSA-N 0 0 248.238 1.772 20 5 BDBDRN Cc1nc(N2C[C@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] ZINC000450346049 202138597 /nfs/dbraw/zinc/13/85/97/202138597.db2.gz MNGLUUKOHGXHHR-BDAKNGLRSA-N 0 0 234.259 1.682 20 5 BDBDRN Cc1nc(N2CC[C@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000450416968 202161061 /nfs/dbraw/zinc/16/10/61/202161061.db2.gz HRPGGTKGEIWWGH-JTQLQIEISA-N 0 0 240.238 1.632 20 5 BDBDRN NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000095830439 181288869 /nfs/dbraw/zinc/28/88/69/181288869.db2.gz CKYMCTVRKADRLC-UHFFFAOYSA-N 0 0 234.133 1.713 20 5 BDBDRN COC[C@@H]1CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450543912 202190716 /nfs/dbraw/zinc/19/07/16/202190716.db2.gz YNUREMYMBPJTQB-VIFPVBQESA-N 0 0 223.232 1.215 20 5 BDBDRN COC1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000346416357 357045290 /nfs/dbraw/zinc/04/52/90/357045290.db2.gz KKEISQAUADVNIK-UHFFFAOYSA-N 0 0 243.650 1.478 20 5 BDBDRN Cc1ncc([N+](=O)[O-])n1CCc1cccnc1 ZINC000346614735 357113432 /nfs/dbraw/zinc/11/34/32/357113432.db2.gz UXJUAGSCXIVIKP-UHFFFAOYSA-N 0 0 232.243 1.737 20 5 BDBDRN C[C@@H](CO)Sc1ccncc1[N+](=O)[O-] ZINC000160685681 357171452 /nfs/dbraw/zinc/17/14/52/357171452.db2.gz LOCKNTIPTYSNPW-LURJTMIESA-N 0 0 214.246 1.463 20 5 BDBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)C1 ZINC000618972375 357996591 /nfs/dbraw/zinc/99/65/91/357996591.db2.gz PVNODLQARKFBAE-UHFFFAOYSA-N 0 0 237.259 1.415 20 5 BDBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000618972394 357996638 /nfs/dbraw/zinc/99/66/38/357996638.db2.gz VYFGACPSNRFTGR-UHFFFAOYSA-N 0 0 223.232 1.405 20 5 BDBDRN C[C@H](CO)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035606883 358003283 /nfs/dbraw/zinc/00/32/83/358003283.db2.gz BUAUFIWNRLWXFK-MRVPVSSYSA-N 0 0 247.254 1.936 20 5 BDBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000619147253 358003813 /nfs/dbraw/zinc/00/38/13/358003813.db2.gz QIVZLHDIQAZAPJ-UHFFFAOYSA-N 0 0 235.243 1.472 20 5 BDBDRN CC1(C)CN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000619147297 358003964 /nfs/dbraw/zinc/00/39/64/358003964.db2.gz SADLIZXWTSSROG-UHFFFAOYSA-N 0 0 249.270 1.659 20 5 BDBDRN CC(C)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(F)F ZINC000619421785 358013790 /nfs/dbraw/zinc/01/37/90/358013790.db2.gz FFABINMLSPLKRC-UHFFFAOYSA-N 0 0 247.201 1.696 20 5 BDBDRN Cc1cc(N2CC(C)(F)C2)ncc1[N+](=O)[O-] ZINC000619500438 358576176 /nfs/dbraw/zinc/57/61/76/358576176.db2.gz WUAWXDGZRNXYMR-UHFFFAOYSA-N 0 0 225.223 1.846 20 5 BDBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)CCC(F)F ZINC000619520338 358640546 /nfs/dbraw/zinc/64/05/46/358640546.db2.gz QYTIHPBCZMLJHL-UHFFFAOYSA-N 0 0 248.189 1.312 20 5 BDBDRN NC(=O)CSCc1ccccc1[N+](=O)[O-] ZINC000219654562 134288662 /nfs/dbraw/zinc/28/86/62/134288662.db2.gz NXZFDPCCZHELPW-UHFFFAOYSA-N 0 0 226.257 1.313 20 5 BDBDRN Cc1cc(Cn2nccc2[N+](=O)[O-])on1 ZINC000048706065 358651579 /nfs/dbraw/zinc/65/15/79/358651579.db2.gz FEONUYHUKSUYJA-UHFFFAOYSA-N 0 0 208.177 1.136 20 5 BDBDRN Cc1n[nH]cc1Nc1ncccc1[N+](=O)[O-] ZINC000049469726 358690186 /nfs/dbraw/zinc/69/01/86/358690186.db2.gz URPFLSHAQLBYSU-UHFFFAOYSA-N 0 0 219.204 1.765 20 5 BDBDRN CC[C@@H](C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000133039029 358743575 /nfs/dbraw/zinc/74/35/75/358743575.db2.gz BDKYGMADZQDSRU-MRVPVSSYSA-N 0 0 238.243 1.372 20 5 BDBDRN Cc1cnc(N[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000228131158 358978206 /nfs/dbraw/zinc/97/82/06/358978206.db2.gz CEIPFEYMIBEQFG-RKDXNWHRSA-N 0 0 239.275 1.870 20 5 BDBDRN COC1(C)CN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000611466746 359372764 /nfs/dbraw/zinc/37/27/64/359372764.db2.gz JQNADQCVXXRUNR-UHFFFAOYSA-N 0 0 237.259 1.523 20 5 BDBDRN C[C@@H]1CCC(=O)[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000450792552 202268343 /nfs/dbraw/zinc/26/83/43/202268343.db2.gz HROJGUNSOMLFTE-APPZFPTMSA-N 0 0 223.232 1.722 20 5 BDBDRN CC(=O)CCCCCn1cc([N+](=O)[O-])cn1 ZINC000450804758 202270399 /nfs/dbraw/zinc/27/03/99/202270399.db2.gz YYEHLQJLMUUWQW-UHFFFAOYSA-N 0 0 225.248 1.941 20 5 BDBDRN C[C@@H](O)CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000450924542 202309764 /nfs/dbraw/zinc/30/97/64/202309764.db2.gz GHHHNYPNWWHPSL-MRVPVSSYSA-N 0 0 241.243 1.237 20 5 BDBDRN Cc1nn(Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000450957274 202319575 /nfs/dbraw/zinc/31/95/75/202319575.db2.gz HYSQSXVJIRKRSP-UHFFFAOYSA-N 0 0 232.243 1.851 20 5 BDBDRN CC1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000122803888 363688397 /nfs/dbraw/zinc/68/83/97/363688397.db2.gz HOGCVYDCAYBFEI-VIFPVBQESA-N 0 0 249.270 1.705 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@H]2CCOC2)s1 ZINC000306435987 359918031 /nfs/dbraw/zinc/91/80/31/359918031.db2.gz GAMOFTFWLHFQAL-LURJTMIESA-N 0 0 214.246 1.857 20 5 BDBDRN Cn1cncc1CNc1cccc([N+](=O)[O-])c1 ZINC000090165881 360060217 /nfs/dbraw/zinc/06/02/17/360060217.db2.gz MCAMMOLQIFNEEA-UHFFFAOYSA-N 0 0 232.243 1.940 20 5 BDBDRN NC(=O)c1cccc(NCCF)c1[N+](=O)[O-] ZINC000309568427 181304535 /nfs/dbraw/zinc/30/45/35/181304535.db2.gz LVGAMZPPRJTPKK-UHFFFAOYSA-N 0 0 227.195 1.075 20 5 BDBDRN Cc1ccncc1Cn1cc([N+](=O)[O-])cn1 ZINC000433372444 201184576 /nfs/dbraw/zinc/18/45/76/201184576.db2.gz DOGMHLOEARFBFS-UHFFFAOYSA-N 0 0 218.216 1.543 20 5 BDBDRN Cn1cc(CNc2ccccc2[N+](=O)[O-])cn1 ZINC000037058845 361601866 /nfs/dbraw/zinc/60/18/66/361601866.db2.gz DROAKBPXWATIRR-UHFFFAOYSA-N 0 0 232.243 1.940 20 5 BDBDRN O=C(NCCF)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000436398841 201325405 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365023752 /nfs/dbraw/zinc/02/37/52/365023752.db2.gz RBXVVQLMZKFUBZ-YUMQZZPRSA-N 0 0 236.275 1.928 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(NCCN2CCC2)n1 ZINC000443890841 193031818 /nfs/dbraw/zinc/03/18/18/193031818.db2.gz CSIQGNSAKBLETQ-UHFFFAOYSA-N 0 0 236.275 1.416 20 5 BDBDRN O=[N+]([O-])c1cnc(N2CCCCCO2)s1 ZINC000579974076 367111311 /nfs/dbraw/zinc/11/13/11/367111311.db2.gz VSZPKIAFUILUGT-UHFFFAOYSA-N 0 0 229.261 1.973 20 5 BDBDRN C[C@@H]1CC[C@H](C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000581500994 367528430 /nfs/dbraw/zinc/52/84/30/367528430.db2.gz BPJFDTAGNNJQPO-KNVOCYPGSA-N 0 0 238.247 1.331 20 5 BDBDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000581500995 367528437 /nfs/dbraw/zinc/52/84/37/367528437.db2.gz BPJFDTAGNNJQPO-RNFRBKRXSA-N 0 0 238.247 1.331 20 5 BDBDRN CC[C@H](F)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000441844147 201564631 /nfs/dbraw/zinc/56/46/31/201564631.db2.gz PVKGZCJMTPAMQU-ZETCQYMHSA-N 0 0 201.201 1.848 20 5 BDBDRN O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1 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ZINC000189685465 385269952 /nfs/dbraw/zinc/26/99/52/385269952.db2.gz NTPIDTARYNMLDL-ZCFIWIBFSA-N 0 0 231.277 1.746 20 5 BDBDRN CC[C@](C)(CO)Nc1ncc([N+](=O)[O-])s1 ZINC000189687457 385273636 /nfs/dbraw/zinc/27/36/36/385273636.db2.gz KOQNXPMMLFESHG-MRVPVSSYSA-N 0 0 231.277 1.624 20 5 BDBDRN C[C@H](O)CCNc1ncc([N+](=O)[O-])s1 ZINC000189687831 385273914 /nfs/dbraw/zinc/27/39/14/385273914.db2.gz QMTBCWMVYMYWNW-YFKPBYRVSA-N 0 0 217.250 1.234 20 5 BDBDRN O=[N+]([O-])c1cnc(N(CCO)C2CC2)s1 ZINC000189691356 385281797 /nfs/dbraw/zinc/28/17/97/385281797.db2.gz TWNYXWHXEJKEOW-UHFFFAOYSA-N 0 0 229.261 1.012 20 5 BDBDRN CCOc1cc(N[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000092658694 385301277 /nfs/dbraw/zinc/30/12/77/385301277.db2.gz CJTOCIQJRJCLPP-QMMMGPOBSA-N 0 0 240.259 1.786 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N2CCCCO2)n1 ZINC000189962065 385338601 /nfs/dbraw/zinc/33/86/01/385338601.db2.gz VAHDESXRCJLINT-UHFFFAOYSA-N 0 0 223.232 1.830 20 5 BDBDRN Cc1noc(C)c1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000178237470 385345674 /nfs/dbraw/zinc/34/56/74/385345674.db2.gz PBXKEXGLUGJQGE-UHFFFAOYSA-N 0 0 249.226 1.410 20 5 BDBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000273152711 385346289 /nfs/dbraw/zinc/34/62/89/385346289.db2.gz IGSRQVZMPNHZIN-IUCAKERBSA-N 0 0 234.259 1.621 20 5 BDBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCOCC2)nc1 ZINC000273980245 385386028 /nfs/dbraw/zinc/38/60/28/385386028.db2.gz QJUHKLZLVUBESJ-QMMMGPOBSA-N 0 0 238.247 1.366 20 5 BDBDRN CC[C@@H](C)[C@H](O)CNc1ncccc1[N+](=O)[O-] ZINC000264766582 385467199 /nfs/dbraw/zinc/46/71/99/385467199.db2.gz FKKMCOYNEYITBW-PSASIEDQSA-N 0 0 239.275 1.809 20 5 BDBDRN C[C@@H](CO)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888841 385488262 /nfs/dbraw/zinc/48/82/62/385488262.db2.gz VOTCEARPLAQQQY-ZCFIWIBFSA-N 0 0 246.213 1.913 20 5 BDBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCCC[C@H]1O ZINC000052006787 385598177 /nfs/dbraw/zinc/59/81/77/385598177.db2.gz YLOKPVOLJOWGDJ-PSASIEDQSA-N 0 0 237.259 1.705 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2O)nc1 ZINC000052005885 385598213 /nfs/dbraw/zinc/59/82/13/385598213.db2.gz ZLTKGRRDNZGTTO-ZJUUUORDSA-N 0 0 237.259 1.705 20 5 BDBDRN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[C@@H]1O ZINC000343250050 385700239 /nfs/dbraw/zinc/70/02/39/385700239.db2.gz LQVIAJSWPMOMSD-ZJUUUORDSA-N 0 0 237.259 1.339 20 5 BDBDRN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[C@H]1O ZINC000343250047 385700458 /nfs/dbraw/zinc/70/04/58/385700458.db2.gz LQVIAJSWPMOMSD-NXEZZACHSA-N 0 0 237.259 1.339 20 5 BDBDRN O=[N+]([O-])c1cn(CCC2CCOCC2)cn1 ZINC000292737777 385716298 /nfs/dbraw/zinc/71/62/98/385716298.db2.gz UOQQIBYWWLUSBL-UHFFFAOYSA-N 0 0 225.248 1.608 20 5 BDBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(C)(C)O ZINC000292922662 385732390 /nfs/dbraw/zinc/73/23/90/385732390.db2.gz YOLLFISRHSHOJS-VIFPVBQESA-N 0 0 239.275 1.951 20 5 BDBDRN COC[C@H]1CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000293117593 385737365 /nfs/dbraw/zinc/73/73/65/385737365.db2.gz PWKQGGZFONZSCT-SECBINFHSA-N 0 0 237.259 1.523 20 5 BDBDRN CC[C@@H](COC)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265724450 385766767 /nfs/dbraw/zinc/76/67/67/385766767.db2.gz NRMHRADLWPGXRA-ZETCQYMHSA-N 0 0 241.247 1.078 20 5 BDBDRN C[C@H](O)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000227997484 385807375 /nfs/dbraw/zinc/80/73/75/385807375.db2.gz AWQGFOYMQNAKHQ-QMMMGPOBSA-N 0 0 225.248 1.563 20 5 BDBDRN C[C@@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331659626 385818338 /nfs/dbraw/zinc/81/83/38/385818338.db2.gz MAOPMISGYSMPCS-ZETCQYMHSA-N 0 0 237.259 1.841 20 5 BDBDRN Cc1ncc([N+](=O)[O-])n1CCN(C)CC(F)F ZINC000602772672 385819938 /nfs/dbraw/zinc/81/99/38/385819938.db2.gz MPWFIEKWNNLNBO-UHFFFAOYSA-N 0 0 248.233 1.297 20 5 BDBDRN CC[C@@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])nc1 ZINC000344435562 385832641 /nfs/dbraw/zinc/83/26/41/385832641.db2.gz MZABENKWKINMHU-PSASIEDQSA-N 0 0 239.275 1.809 20 5 BDBDRN O=[N+]([O-])c1cn(C[C@@H]2CCC[C@H](O)C2)cn1 ZINC000291656761 385906185 /nfs/dbraw/zinc/90/61/85/385906185.db2.gz LAZSHDDYWOGVCH-BDAKNGLRSA-N 0 0 225.248 1.342 20 5 BDBDRN O=[N+]([O-])c1ccc(N2C[C@@H](F)[C@@H](F)C2)nc1 ZINC000294893073 385911748 /nfs/dbraw/zinc/91/17/48/385911748.db2.gz DCLDROUDTQQPNI-OCAPTIKFSA-N 0 0 229.186 1.486 20 5 BDBDRN C[C@@H](O)CCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000266206705 385861356 /nfs/dbraw/zinc/86/13/56/385861356.db2.gz FHGYVHSZAFUGDM-MRVPVSSYSA-N 0 0 242.250 1.941 20 5 BDBDRN Cc1nn(CCn2ccnc2C)cc1[N+](=O)[O-] ZINC000572424471 385989570 /nfs/dbraw/zinc/98/95/70/385989570.db2.gz HYFMIIBCFKRWGG-UHFFFAOYSA-N 0 0 235.247 1.305 20 5 BDBDRN C[C@H](CF)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000288208732 386175979 /nfs/dbraw/zinc/17/59/79/386175979.db2.gz MUATYLOLPSGLFT-MRVPVSSYSA-N 0 0 240.234 1.612 20 5 BDBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cn[nH]c1 ZINC000229729355 386201414 /nfs/dbraw/zinc/20/14/14/386201414.db2.gz FDBRULVQIYXVEH-RXMQYKEDSA-N 0 0 239.260 1.948 20 5 BDBDRN Cc1cnc(N[C@H](C)c2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000226500686 386322403 /nfs/dbraw/zinc/32/24/03/386322403.db2.gz IKKXWIXLQDLMIX-SSDOTTSWSA-N 0 0 248.246 1.589 20 5 BDBDRN CCN(CC(F)F)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000184659336 386266189 /nfs/dbraw/zinc/26/61/89/386266189.db2.gz QDTUUYVWUMPZAY-UHFFFAOYSA-N 0 0 248.189 1.045 20 5 BDBDRN CCC[C@H](CNc1ccncc1[N+](=O)[O-])OC ZINC000356410533 386279128 /nfs/dbraw/zinc/27/91/28/386279128.db2.gz JHLKJAMFWOXBJA-SECBINFHSA-N 0 0 239.275 1.639 20 5 BDBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000033447999 386362606 /nfs/dbraw/zinc/36/26/06/386362606.db2.gz VEGQFWYQQPEBIC-BAQGIRSFSA-N 0 0 232.239 1.887 20 5 BDBDRN CC(C)(CCC(=O)Nc1cc[nH]n1)[N+](=O)[O-] ZINC000294748821 386468162 /nfs/dbraw/zinc/46/81/62/386468162.db2.gz OYEGVOOAYKGTLW-UHFFFAOYSA-N 0 0 226.236 1.184 20 5 BDBDRN O=[N+]([O-])c1ncccc1S[C@@H]1CCOC1 ZINC000617000701 386529320 /nfs/dbraw/zinc/52/93/20/386529320.db2.gz RFTLXHUCXGXTOA-SSDOTTSWSA-N 0 0 226.257 1.871 20 5 BDBDRN Cc1ccc(CN2CCO[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000366562191 386515960 /nfs/dbraw/zinc/51/59/60/386515960.db2.gz VKXGRWFURKXYRC-QWHCGFSZSA-N 0 0 248.282 1.876 20 5 BDBDRN CC(C)=CCNc1ncc([N+](=O)[O-])cn1 ZINC000232646406 386555221 /nfs/dbraw/zinc/55/52/21/386555221.db2.gz RHIPNBCTTQDOKT-UHFFFAOYSA-N 0 0 208.221 1.763 20 5 BDBDRN Cc1cc(N2CCO[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC000366108854 386565767 /nfs/dbraw/zinc/56/57/67/386565767.db2.gz BWSMNYKQLMQZOV-WCBMZHEXSA-N 0 0 235.243 1.276 20 5 BDBDRN CC[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454301654 386639822 /nfs/dbraw/zinc/63/98/22/386639822.db2.gz LVUDTZHVIAXMQC-SFYZADRCSA-N 0 0 237.259 1.699 20 5 BDBDRN CC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356477914 386647420 /nfs/dbraw/zinc/64/74/20/386647420.db2.gz LPYYBWVVBSAGEE-SSDOTTSWSA-N 0 0 240.263 1.199 20 5 BDBDRN CC(C)(NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000291935420 386602153 /nfs/dbraw/zinc/60/21/53/386602153.db2.gz OVWQFLLCZRJDFH-UHFFFAOYSA-N 0 0 223.232 1.498 20 5 BDBDRN O=[N+]([O-])c1ccc(NC[C@@H]2[C@H]3COC[C@H]32)nc1 ZINC000367733616 386692819 /nfs/dbraw/zinc/69/28/19/386692819.db2.gz JAFQZEFOUHEHMW-OWUUHHOZSA-N 0 0 235.243 1.294 20 5 BDBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000367733424 386692978 /nfs/dbraw/zinc/69/29/78/386692978.db2.gz IGTXXHDNGNEJEW-PSVAKVPMSA-N 0 0 235.243 1.294 20 5 BDBDRN O=c1c([N+](=O)[O-])cccn1CCCc1cn[nH]c1 ZINC000150948199 386745311 /nfs/dbraw/zinc/74/53/11/386745311.db2.gz BLXFCWRYIPTZBO-UHFFFAOYSA-N 0 0 248.242 1.112 20 5 BDBDRN C[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C1 ZINC000408219793 134513480 /nfs/dbraw/zinc/51/34/80/134513480.db2.gz QNRXCILTAXZGSP-SFYZADRCSA-N 0 0 222.248 1.620 20 5 BDBDRN CC[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000268031790 386771555 /nfs/dbraw/zinc/77/15/55/386771555.db2.gz KWXPZRYYECOOFD-QMMMGPOBSA-N 0 0 224.264 1.565 20 5 BDBDRN Cc1cnc(N(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266176337 386787840 /nfs/dbraw/zinc/78/78/40/386787840.db2.gz AYWKPAMCBUANIE-VIFPVBQESA-N 0 0 237.259 1.523 20 5 BDBDRN CN(Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000519150158 386895367 /nfs/dbraw/zinc/89/53/67/386895367.db2.gz YIXVMSPEKHEQEB-UHFFFAOYSA-N 0 0 226.280 1.559 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H](O)C2)c(F)c1 ZINC000295139733 386943718 /nfs/dbraw/zinc/94/37/18/386943718.db2.gz DNTFINGXBHSDNT-WRXNHJIOSA-N 0 0 226.207 1.669 20 5 BDBDRN CN(CCF)Cc1cccc([N+](=O)[O-])c1 ZINC000268281906 386956333 /nfs/dbraw/zinc/95/63/33/386956333.db2.gz GBJBDBNTTWIZQO-UHFFFAOYSA-N 0 0 212.224 1.996 20 5 BDBDRN Cn1cnc([N+](=O)[O-])c1NCCC(C)(C)CO ZINC000294985956 387015088 /nfs/dbraw/zinc/01/50/88/387015088.db2.gz PTXBVUJJLKPOPI-UHFFFAOYSA-N 0 0 242.279 1.149 20 5 BDBDRN Cc1nc(CNc2cc(C)c([N+](=O)[O-])cn2)no1 ZINC000074763698 387025661 /nfs/dbraw/zinc/02/56/61/387025661.db2.gz GSDDUTJVBDQIQL-UHFFFAOYSA-N 0 0 249.230 1.602 20 5 BDBDRN C[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000336257696 387087512 /nfs/dbraw/zinc/08/75/12/387087512.db2.gz NNKSAJWJVWQSFY-SNVBAGLBSA-N 0 0 241.222 1.497 20 5 BDBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1CC(F)F ZINC000268661995 387239110 /nfs/dbraw/zinc/23/91/10/387239110.db2.gz YNNKAKYAVGHBHX-UHFFFAOYSA-N 0 0 238.577 1.675 20 5 BDBDRN O=[N+]([O-])c1cnn(C[C@@H](O)C2CCCCC2)c1 ZINC000191359119 387383243 /nfs/dbraw/zinc/38/32/43/387383243.db2.gz YVURNKOXENCYHT-LLVKDONJSA-N 0 0 239.275 1.733 20 5 BDBDRN CO[C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000224341949 387351647 /nfs/dbraw/zinc/35/16/47/387351647.db2.gz CTYCGTMAMRRQJR-ZCFIWIBFSA-N 0 0 228.252 1.084 20 5 BDBDRN CC(C)c1n[nH]c(C(=O)NC2CC2)c1[N+](=O)[O-] ZINC000269365915 387431864 /nfs/dbraw/zinc/43/18/64/387431864.db2.gz XFQJFLLJODUBQE-UHFFFAOYSA-N 0 0 238.247 1.334 20 5 BDBDRN C[C@@H](O)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295771824 387401129 /nfs/dbraw/zinc/40/11/29/387401129.db2.gz WYQQCPHSDLEYDQ-JGVFFNPUSA-N 0 0 238.243 1.153 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCCO)c1 ZINC000300806165 387534748 /nfs/dbraw/zinc/53/47/48/387534748.db2.gz JYJYBDDYLHDVGB-UHFFFAOYSA-N 0 0 224.260 1.722 20 5 BDBDRN O=[N+]([O-])c1cnc(NCC2(CO)CCC2)s1 ZINC000192528663 387535716 /nfs/dbraw/zinc/53/57/16/387535716.db2.gz IIGPBGIAFZAXEG-UHFFFAOYSA-N 0 0 243.288 1.626 20 5 BDBDRN Cc1nn(C[C@@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000192824812 387538513 /nfs/dbraw/zinc/53/85/13/387538513.db2.gz BCFJRIHBTYYELV-VIFPVBQESA-N 0 0 225.248 1.445 20 5 BDBDRN O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)s1 ZINC000248910752 387482375 /nfs/dbraw/zinc/48/23/75/387482375.db2.gz IWOWCSSBHDHHPG-LJGSYFOKSA-N 0 0 243.288 1.767 20 5 BDBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C)C2CC2)n1 ZINC000191577178 387490502 /nfs/dbraw/zinc/49/05/02/387490502.db2.gz JYCLKWRAOBTJKA-UHFFFAOYSA-N 0 0 238.247 1.046 20 5 BDBDRN Cn1nc([N+](=O)[O-])cc1C(=O)NC1CCCC1 ZINC000356495053 387665078 /nfs/dbraw/zinc/66/50/78/387665078.db2.gz CUEZQZQKZAQHRB-UHFFFAOYSA-N 0 0 238.247 1.001 20 5 BDBDRN CCOC[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000044725898 387691907 /nfs/dbraw/zinc/69/19/07/387691907.db2.gz QCTVJBSREPTKCC-ZETCQYMHSA-N 0 0 226.236 1.222 20 5 BDBDRN Cc1cccc(NC[C@](C)(O)CO)c1[N+](=O)[O-] ZINC000235787627 387859966 /nfs/dbraw/zinc/85/99/66/387859966.db2.gz HLXFJUHIEYLYCR-NSHDSACASA-N 0 0 240.259 1.058 20 5 BDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2CCC1CC2 ZINC000371388897 387867694 /nfs/dbraw/zinc/86/76/94/387867694.db2.gz PGOALHOBVDWMEP-YDYPAMBWSA-N 0 0 224.260 1.053 20 5 BDBDRN C[C@@H](CCCCO)Nc1ncc([N+](=O)[O-])cn1 ZINC000296446476 387978624 /nfs/dbraw/zinc/97/86/24/387978624.db2.gz ZXPKRHDUMTWWQM-QMMMGPOBSA-N 0 0 240.263 1.348 20 5 BDBDRN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000054070415 388023148 /nfs/dbraw/zinc/02/31/48/388023148.db2.gz ZGDBWHCPVPKLJU-QMMMGPOBSA-N 0 0 238.243 1.500 20 5 BDBDRN CN(Cc1nc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC000174817766 388092838 /nfs/dbraw/zinc/09/28/38/388092838.db2.gz ZXYALPDTICWPRU-UHFFFAOYSA-N 0 0 247.258 1.345 20 5 BDBDRN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCCC12CCC2 ZINC000373070190 388099109 /nfs/dbraw/zinc/09/91/09/388099109.db2.gz MXOGKULXXDGEEZ-IUCAKERBSA-N 0 0 224.260 1.197 20 5 BDBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCCC2 ZINC000372370292 388258592 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586234277 /nfs/dbraw/zinc/23/42/77/586234277.db2.gz IKGUIVSQNQRSSZ-UHFFFAOYSA-N 0 0 247.258 1.537 20 5 BDBDRN Nc1ccc(NCc2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000804348641 586392207 /nfs/dbraw/zinc/39/22/07/586392207.db2.gz CZUXBNRGIPOFBM-UHFFFAOYSA-N 0 0 233.231 1.512 20 5 BDBDRN Nc1ccc(NCc2ccon2)c([N+](=O)[O-])c1 ZINC000804531014 586398233 /nfs/dbraw/zinc/39/82/33/586398233.db2.gz PSQLGJJCQKAZQB-UHFFFAOYSA-N 0 0 234.215 1.777 20 5 BDBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)CO ZINC000807924514 586451807 /nfs/dbraw/zinc/45/18/07/586451807.db2.gz LKLBTOMJIGRAHN-ZETCQYMHSA-N 0 0 238.243 1.590 20 5 BDBDRN COc1ccccc1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840247183 586570726 /nfs/dbraw/zinc/57/07/26/586570726.db2.gz YFRFLPYEFXDVPU-HTQZYQBOSA-N 0 0 237.211 1.266 20 5 BDBDRN CO[C@H](C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814162 586587257 /nfs/dbraw/zinc/58/72/57/586587257.db2.gz VKLYFNGCPFYUHX-SSDOTTSWSA-N 0 0 243.263 1.765 20 5 BDBDRN CO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000840271846 586588849 /nfs/dbraw/zinc/58/88/49/586588849.db2.gz PPOWVTXUCQMTBU-MRVPVSSYSA-N 0 0 241.222 1.354 20 5 BDBDRN CCOC1CC(C(=O)OC[C@H](C)[N+](=O)[O-])C1 ZINC000813102406 586591886 /nfs/dbraw/zinc/59/18/86/586591886.db2.gz RBLFFOGIGRLNTC-UEJVZZJDSA-N 0 0 231.248 1.010 20 5 BDBDRN CO[C@@H](C)CCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813103412 586591916 /nfs/dbraw/zinc/59/19/16/586591916.db2.gz PXQQCBPYVRFXGN-YUMQZZPRSA-N 0 0 219.237 1.010 20 5 BDBDRN C[C@H](COC(=O)C[C@H]1C=CCC1)[N+](=O)[O-] ZINC000813101510 586592009 /nfs/dbraw/zinc/59/20/09/586592009.db2.gz CEILSLILODCVRL-BDAKNGLRSA-N 0 0 213.233 1.551 20 5 BDBDRN C[C@H](COC(=O)[C@@H]1CCCSC1)[N+](=O)[O-] ZINC000813102058 586592231 /nfs/dbraw/zinc/59/22/31/586592231.db2.gz AKDBUAULSWZIIS-HTQZYQBOSA-N 0 0 233.289 1.338 20 5 BDBDRN C[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813104688 586592311 /nfs/dbraw/zinc/59/23/11/586592311.db2.gz PXNRKJLYCWDCOH-VHSXEESVSA-N 0 0 237.255 1.999 20 5 BDBDRN C[C@H](COC(=O)[C@@H](F)c1ccccc1)[N+](=O)[O-] ZINC000813105977 586592616 /nfs/dbraw/zinc/59/26/16/586592616.db2.gz WWRZMKSASYRTCB-SCZZXKLOSA-N 0 0 241.218 1.906 20 5 BDBDRN CCC/C(C)=C\C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106257 586592650 /nfs/dbraw/zinc/59/26/50/586592650.db2.gz BNZOSUOXISUSLA-JGAIRUGNSA-N 0 0 215.249 1.941 20 5 BDBDRN CSC[C@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106824 586592670 /nfs/dbraw/zinc/59/26/70/586592670.db2.gz IJDKZJNKDPTTEP-NKWVEPMBSA-N 0 0 221.278 1.194 20 5 BDBDRN Cc1cccc(C(=O)OC[C@H](C)[N+](=O)[O-])c1F ZINC000813107170 586592736 /nfs/dbraw/zinc/59/27/36/586592736.db2.gz LJAPFAZOIIXMEQ-QMMMGPOBSA-N 0 0 241.218 1.956 20 5 BDBDRN C[C@H](COC(=O)/C=C\C(C)(C)C)[N+](=O)[O-] ZINC000813106635 586592759 /nfs/dbraw/zinc/59/27/59/586592759.db2.gz FLMCLRQTHULAOB-RPSMYOMKSA-N 0 0 215.249 1.797 20 5 BDBDRN C[C@H](COC(=O)CCC(F)F)[N+](=O)[O-] ZINC000813106527 586592897 /nfs/dbraw/zinc/59/28/97/586592897.db2.gz DYGIJQXQFACQGM-RXMQYKEDSA-N 0 0 211.164 1.240 20 5 BDBDRN CCc1cccnc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109803 586593136 /nfs/dbraw/zinc/59/31/36/586593136.db2.gz PDGBXVGRCSVRMN-MRVPVSSYSA-N 0 0 238.243 1.466 20 5 BDBDRN C[C@@H](COC(=O)COC1CCCCC1)[N+](=O)[O-] ZINC000813108971 586593222 /nfs/dbraw/zinc/59/32/22/586593222.db2.gz NELWAVXLIJYVEP-VIFPVBQESA-N 0 0 245.275 1.544 20 5 BDBDRN C[C@H](COC(=O)CC[C@H]1CC[C@@H](C)O1)[N+](=O)[O-] ZINC000813111439 586593502 /nfs/dbraw/zinc/59/35/02/586593502.db2.gz HFMUPOKUEJONEC-OPRDCNLKSA-N 0 0 245.275 1.543 20 5 BDBDRN Cc1c(C(=O)OC[C@@H](C)[N+](=O)[O-])ccn1C ZINC000813110741 586593680 /nfs/dbraw/zinc/59/36/80/586593680.db2.gz IMLDIRUUQDOEKY-SSDOTTSWSA-N 0 0 226.232 1.156 20 5 BDBDRN C[C@H](COC(=O)C=C(C1CC1)C1CC1)[N+](=O)[O-] ZINC000813114298 586593857 /nfs/dbraw/zinc/59/38/57/586593857.db2.gz PDALZLFFKXQTCZ-MRVPVSSYSA-N 0 0 239.271 1.941 20 5 BDBDRN C[C@@H](COC(=O)c1ccccc1F)[N+](=O)[O-] ZINC000813112943 586594112 /nfs/dbraw/zinc/59/41/12/586594112.db2.gz MJXSRMKFDZQAQJ-ZETCQYMHSA-N 0 0 227.191 1.648 20 5 BDBDRN C[C@@H](COC(=O)CC(C)(C)C)[N+](=O)[O-] ZINC000813112817 586594134 /nfs/dbraw/zinc/59/41/34/586594134.db2.gz LXUJDECZGVFDEU-ZETCQYMHSA-N 0 0 203.238 1.631 20 5 BDBDRN CSCCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813115150 586594197 /nfs/dbraw/zinc/59/41/97/586594197.db2.gz LGTGRCXBIPZFDX-SSDOTTSWSA-N 0 0 221.278 1.338 20 5 BDBDRN CC1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840304355 586609063 /nfs/dbraw/zinc/60/90/63/586609063.db2.gz KMQBEGJSLVJUOJ-WDHPUFTPSA-N 0 0 240.303 1.737 20 5 BDBDRN Cc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])n1C ZINC000814039768 586611792 /nfs/dbraw/zinc/61/17/92/586611792.db2.gz XHDQPKMIFVZQLH-MRVPVSSYSA-N 0 0 226.232 1.156 20 5 BDBDRN CCc1ocnc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814037555 586612119 /nfs/dbraw/zinc/61/21/19/586612119.db2.gz CFDAWCLBVITARK-LURJTMIESA-N 0 0 228.204 1.059 20 5 BDBDRN CCC/C=C/C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814038818 586612138 /nfs/dbraw/zinc/61/21/38/586612138.db2.gz TVBQFLYPBFBJRP-HQZHTGGTSA-N 0 0 201.222 1.551 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)/C=C\C(C)(C)C ZINC000814040808 586612299 /nfs/dbraw/zinc/61/22/99/586612299.db2.gz LTYVLWVSTSTBEX-RPSMYOMKSA-N 0 0 215.249 1.797 20 5 BDBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCc1nccs1 ZINC000814040569 586612494 /nfs/dbraw/zinc/61/24/94/586612494.db2.gz JDOSWKGSGLRJBR-ZETCQYMHSA-N 0 0 244.272 1.284 20 5 BDBDRN Cc1cc(F)ccc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814041691 586612523 /nfs/dbraw/zinc/61/25/23/586612523.db2.gz UWJHRHVTVRHSEY-MRVPVSSYSA-N 0 0 241.218 1.956 20 5 BDBDRN CC(C)C(C)(C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814042667 586612534 /nfs/dbraw/zinc/61/25/34/586612534.db2.gz ZACYBKAZEICPMD-MRVPVSSYSA-N 0 0 217.265 1.877 20 5 BDBDRN Cc1cccc(C(=O)O[C@@H](C)C[N+](=O)[O-])c1F ZINC000814043354 586612536 /nfs/dbraw/zinc/61/25/36/586612536.db2.gz CZCZHTYTPPMNGX-QMMMGPOBSA-N 0 0 241.218 1.956 20 5 BDBDRN CC[C@@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814042355 586612656 /nfs/dbraw/zinc/61/26/56/586612656.db2.gz WMISEVWVGZWTMV-SFYZADRCSA-N 0 0 203.238 1.631 20 5 BDBDRN Cc1nc(C)c(C(=O)O[C@H](C)C[N+](=O)[O-])o1 ZINC000814045289 586612712 /nfs/dbraw/zinc/61/27/12/586612712.db2.gz OMDZHSAEGJTUJE-RXMQYKEDSA-N 0 0 228.204 1.113 20 5 BDBDRN CC(C)CCO[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045353 586612865 /nfs/dbraw/zinc/61/28/65/586612865.db2.gz QFAUKYGUUAQHHO-VHSXEESVSA-N 0 0 247.291 1.646 20 5 BDBDRN CCOC1CC(CC(=O)O[C@@H](C)C[N+](=O)[O-])C1 ZINC000814047141 586612932 /nfs/dbraw/zinc/61/29/32/586612932.db2.gz RUZPKLXMRBYQCH-IDKOKCKLSA-N 0 0 245.275 1.400 20 5 BDBDRN Cc1ccoc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814047730 586612952 /nfs/dbraw/zinc/61/29/52/586612952.db2.gz OPVZEGVPPBIYPX-SSDOTTSWSA-N 0 0 213.189 1.410 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCCS1 ZINC000814047814 586613083 /nfs/dbraw/zinc/61/30/83/586613083.db2.gz PCAFPCWWFOIANS-HTQZYQBOSA-N 0 0 233.289 1.481 20 5 BDBDRN CCc1cncc(C(=O)O[C@H](C)C[N+](=O)[O-])c1 ZINC000814050694 586613098 /nfs/dbraw/zinc/61/30/98/586613098.db2.gz YLPWEGKOKHUHAI-MRVPVSSYSA-N 0 0 238.243 1.466 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCC1CC1 ZINC000814048413 586613111 /nfs/dbraw/zinc/61/31/11/586613111.db2.gz TXZAOOWDUQYPIF-SSDOTTSWSA-N 0 0 201.222 1.385 20 5 BDBDRN C[C@H](COC(=O)[C@]1(C)C[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000816091522 586707552 /nfs/dbraw/zinc/70/75/52/586707552.db2.gz AFRZYXPIIFCFGW-SDNRWEOFSA-N 0 0 227.260 1.631 20 5 BDBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCc1cncs1 ZINC000816096723 586707820 /nfs/dbraw/zinc/70/78/20/586707820.db2.gz JSNREKFRUBJKSY-SSDOTTSWSA-N 0 0 244.272 1.284 20 5 BDBDRN Cc1nc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(C)o1 ZINC000816097171 586707965 /nfs/dbraw/zinc/70/79/65/586707965.db2.gz VZIPVUJGYXURQR-YFKPBYRVSA-N 0 0 228.204 1.113 20 5 BDBDRN C=C=CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000816697674 586757926 /nfs/dbraw/zinc/75/79/26/586757926.db2.gz OKAJLNANCZCOMX-UHFFFAOYSA-N 0 0 232.239 1.974 20 5 BDBDRN C=C=CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000816700908 586758938 /nfs/dbraw/zinc/75/89/38/586758938.db2.gz XRSUXOTWOWFYAR-UHFFFAOYSA-N 0 0 248.238 1.431 20 5 BDBDRN CON(C)C(=O)CNc1ccsc1[N+](=O)[O-] ZINC000817125424 586783006 /nfs/dbraw/zinc/78/30/06/586783006.db2.gz RDWGUVWLXMTKHD-UHFFFAOYSA-N 0 0 245.260 1.088 20 5 BDBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCO ZINC000817239591 586789536 /nfs/dbraw/zinc/78/95/36/586789536.db2.gz NABWISMAJODRSZ-UHFFFAOYSA-N 0 0 239.227 1.361 20 5 BDBDRN C[C@@H](COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC000817753769 586825742 /nfs/dbraw/zinc/82/57/42/586825742.db2.gz QGUOFOFTNMMSGE-FXBDTBDDSA-N 0 0 227.260 1.631 20 5 BDBDRN Cn1ncc(/C=C/c2ccc([N+](=O)[O-])cn2)n1 ZINC000821038701 587090561 /nfs/dbraw/zinc/09/05/61/587090561.db2.gz KTDXIDQJTFGDSW-NSCUHMNNSA-N 0 0 231.215 1.289 20 5 BDBDRN CCN(CC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822134168 587155745 /nfs/dbraw/zinc/15/57/45/587155745.db2.gz IBRMQSVKDHXJBQ-UHFFFAOYSA-N 0 0 216.281 1.690 20 5 BDBDRN CCOCCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822182629 587158307 /nfs/dbraw/zinc/15/83/07/587158307.db2.gz LVPGZMPOKMZRNL-UHFFFAOYSA-N 0 0 246.307 1.365 20 5 BDBDRN CSCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822219234 587158642 /nfs/dbraw/zinc/15/86/42/587158642.db2.gz WWBACLAKMXRKRH-UHFFFAOYSA-N 0 0 234.321 1.301 20 5 BDBDRN CC(C)(CCC(=O)Nc1cnoc1)[N+](=O)[O-] ZINC000822928668 587194173 /nfs/dbraw/zinc/19/41/73/587194173.db2.gz GCZHKRUJFGDCSK-UHFFFAOYSA-N 0 0 227.220 1.449 20 5 BDBDRN CSC[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825940930 587346536 /nfs/dbraw/zinc/34/65/36/587346536.db2.gz LUVMHESWGQKICY-QMMMGPOBSA-N 0 0 248.348 1.690 20 5 BDBDRN C[C@@H]1C[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])CO1 ZINC000826784950 587362441 /nfs/dbraw/zinc/36/24/41/587362441.db2.gz WHYFVDUIMSPYPQ-VXNVDRBHSA-N 0 0 237.259 1.766 20 5 BDBDRN CC(C)(CCC(=O)N1CC=CCC1)[N+](=O)[O-] ZINC000828012265 587416671 /nfs/dbraw/zinc/41/66/71/587416671.db2.gz LSRCJUCIOJEQTF-UHFFFAOYSA-N 0 0 226.276 1.610 20 5 BDBDRN C[C@@H](O)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828236414 587426453 /nfs/dbraw/zinc/42/64/53/587426453.db2.gz KRNOQWMXKPMLNR-RKDXNWHRSA-N 0 0 246.307 1.098 20 5 BDBDRN 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BDBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCSC1 ZINC000129204489 385739878 /nfs/dbraw/zinc/73/98/78/385739878.db2.gz XXNFGFNSSALULB-ZETCQYMHSA-N 0 0 242.304 1.636 20 5 BDBDRN Nc1nc(N[C@@H]2CC23CCCC3)ncc1[N+](=O)[O-] ZINC000408377263 385761174 /nfs/dbraw/zinc/76/11/74/385761174.db2.gz PKADRYQQJWEUHZ-MRVPVSSYSA-N 0 0 249.274 1.542 20 5 BDBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(N)=O ZINC000306981994 385782868 /nfs/dbraw/zinc/78/28/68/385782868.db2.gz QWRBQDDFUPBDQN-UHFFFAOYSA-N 0 0 214.608 1.656 20 5 BDBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CNC(=O)C1 ZINC000398391884 385835290 /nfs/dbraw/zinc/83/52/90/385835290.db2.gz KJEUSNQBDVZHQE-SECBINFHSA-N 0 0 249.270 1.451 20 5 BDBDRN O=c1ccc([N+](=O)[O-])cn1CCC1(O)CCC1 ZINC000396776401 385837152 /nfs/dbraw/zinc/83/71/52/385837152.db2.gz BQOBEJWQEAVDLB-UHFFFAOYSA-N 0 0 238.243 1.062 20 5 BDBDRN COC(=O)CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000182749461 385893450 /nfs/dbraw/zinc/89/34/50/385893450.db2.gz OFLJYGASGQXMCR-UHFFFAOYSA-N 0 0 236.227 1.130 20 5 BDBDRN CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C ZINC000285089467 385899610 /nfs/dbraw/zinc/89/96/10/385899610.db2.gz NBBCHQPTXRCFIS-UHFFFAOYSA-N 0 0 226.236 1.188 20 5 BDBDRN CS[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000294898018 385912619 /nfs/dbraw/zinc/91/26/19/385912619.db2.gz DNOBYIOASLKXKZ-LURJTMIESA-N 0 0 245.329 1.993 20 5 BDBDRN O=[N+]([O-])c1cnccc1NCCCOC(F)F ZINC000337861910 385982600 /nfs/dbraw/zinc/98/26/00/385982600.db2.gz JDQCWBHUBNTRFC-UHFFFAOYSA-N 0 0 247.201 1.453 20 5 BDBDRN Cc1nn(C)c(N2CCCCCO2)c1[N+](=O)[O-] ZINC000408293091 385970831 /nfs/dbraw/zinc/97/08/31/385970831.db2.gz WRZKLPKABBJEQM-UHFFFAOYSA-N 0 0 240.263 1.559 20 5 BDBDRN CN(CC(C)(C)C)c1c([N+](=O)[O-])ncn1C ZINC000263825729 386180124 /nfs/dbraw/zinc/18/01/24/386180124.db2.gz ZTDLYRZYSAJMIY-UHFFFAOYSA-N 0 0 226.280 1.811 20 5 BDBDRN C[C@@H](CCCO)Nc1ncccc1[N+](=O)[O-] ZINC000087360585 386195134 /nfs/dbraw/zinc/19/51/34/386195134.db2.gz MODHJHVIAITUFC-QMMMGPOBSA-N 0 0 225.248 1.563 20 5 BDBDRN Cc1cn(Cc2scnc2C)nc1[N+](=O)[O-] ZINC000289466863 386310399 /nfs/dbraw/zinc/31/03/99/386310399.db2.gz WOECBMKXDBGCSP-UHFFFAOYSA-N 0 0 238.272 1.913 20 5 BDBDRN O=[N+]([O-])c1cnc(N2CCSCC2)s1 ZINC000190317759 386320077 /nfs/dbraw/zinc/32/00/77/386320077.db2.gz DSOYHPSCWZXQCU-UHFFFAOYSA-N 0 0 231.302 1.605 20 5 BDBDRN CC(C)(CCC(=O)NCc1ccoc1)[N+](=O)[O-] ZINC000294452154 386345066 /nfs/dbraw/zinc/34/50/66/386345066.db2.gz HOYWXNURNYQWBS-UHFFFAOYSA-N 0 0 240.259 1.731 20 5 BDBDRN CCC[C@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000298321255 386326516 /nfs/dbraw/zinc/32/65/16/386326516.db2.gz RKEZGHLJUYDLDO-QMMMGPOBSA-N 0 0 213.237 1.261 20 5 BDBDRN CN(C[C@@H]1CCCO1)c1ncc([N+](=O)[O-])s1 ZINC000190324011 386390618 /nfs/dbraw/zinc/39/06/18/386390618.db2.gz WFQLURNIHHEEAX-ZETCQYMHSA-N 0 0 243.288 1.667 20 5 BDBDRN Cc1cc(C(=O)N2CCC2)cc([N+](=O)[O-])c1 ZINC000299244485 386428197 /nfs/dbraw/zinc/42/81/97/386428197.db2.gz VDKBPKJSCGAFQC-UHFFFAOYSA-N 0 0 220.228 1.749 20 5 BDBDRN Cc1ccc([C@@H](O)Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000266438359 386495617 /nfs/dbraw/zinc/49/56/17/386495617.db2.gz MHDZIPIITOZVEM-NSHDSACASA-N 0 0 247.254 1.833 20 5 BDBDRN CN(CCCCO)c1ccc(F)cc1[N+](=O)[O-] ZINC000302747989 386577147 /nfs/dbraw/zinc/57/71/47/386577147.db2.gz FUSJBPDEVPDZRI-UHFFFAOYSA-N 0 0 242.250 1.943 20 5 BDBDRN O=[N+]([O-])c1ccnn1CCCn1ccnc1 ZINC000185529233 386578092 /nfs/dbraw/zinc/57/80/92/386578092.db2.gz RLTPLPUYMKUCPN-UHFFFAOYSA-N 0 0 221.220 1.078 20 5 BDBDRN O=[N+]([O-])c1cnc(N(CCO)C2CCC2)s1 ZINC000228504320 386581328 /nfs/dbraw/zinc/58/13/28/386581328.db2.gz SCVPJNGJOQDDGZ-UHFFFAOYSA-N 0 0 243.288 1.403 20 5 BDBDRN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](CO)C1 ZINC000051886300 386562916 /nfs/dbraw/zinc/56/29/16/386562916.db2.gz NQCBDJOIFGRJFQ-MRVPVSSYSA-N 0 0 240.234 1.553 20 5 BDBDRN Cc1cnc(Cn2c(C)c([N+](=O)[O-])ccc2=O)o1 ZINC000294247165 386644769 /nfs/dbraw/zinc/64/47/69/386644769.db2.gz PRSPDQNEEBGTKF-UHFFFAOYSA-N 0 0 249.226 1.410 20 5 BDBDRN CN(C[C@@H]1CCOC1)c1ncc([N+](=O)[O-])s1 ZINC000190333348 386652046 /nfs/dbraw/zinc/65/20/46/386652046.db2.gz CPEAQGGTPOXGBS-ZETCQYMHSA-N 0 0 243.288 1.524 20 5 BDBDRN CO[C@H](C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561418 386614032 /nfs/dbraw/zinc/61/40/32/386614032.db2.gz HZTSPBOZULAOLG-ZCFIWIBFSA-N 0 0 242.206 1.707 20 5 BDBDRN O=C(N[C@H]1C[C@H]1C(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000345830241 386689716 /nfs/dbraw/zinc/68/97/16/386689716.db2.gz VLFUDGUAZGPVAJ-XINAWCOVSA-N 0 0 245.185 1.306 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CO)c1 ZINC000088147547 386843615 /nfs/dbraw/zinc/84/36/15/386843615.db2.gz LHYZYOXNPSEQEL-MRVPVSSYSA-N 0 0 238.243 1.014 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1 ZINC000088147523 386845934 /nfs/dbraw/zinc/84/59/34/386845934.db2.gz MHQHQCBLXZDDAD-UHFFFAOYSA-N 0 0 208.217 1.605 20 5 BDBDRN Cc1csc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000129641042 386990579 /nfs/dbraw/zinc/99/05/79/386990579.db2.gz DUWYSCVKJNRSCQ-UHFFFAOYSA-N 0 0 224.245 1.605 20 5 BDBDRN CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000035102744 387033032 /nfs/dbraw/zinc/03/30/32/387033032.db2.gz QSDXZNNGBPPGAB-LURJTMIESA-N 0 0 244.272 1.157 20 5 BDBDRN CCCN1CC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000414178286 387036854 /nfs/dbraw/zinc/03/68/54/387036854.db2.gz HIIMLYZWZDLBNM-LBPRGKRZSA-N 0 0 249.270 1.435 20 5 BDBDRN Cc1nc(N(C)Cc2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000268425895 387019860 /nfs/dbraw/zinc/01/98/60/387019860.db2.gz AGYHIEUGQSXMCH-UHFFFAOYSA-N 0 0 248.246 1.053 20 5 BDBDRN C[C@@H](CO)CNc1ccc([N+](=O)[O-])cc1F ZINC000088389668 387023529 /nfs/dbraw/zinc/02/35/29/387023529.db2.gz VRWFHBWKDWKFND-SSDOTTSWSA-N 0 0 228.223 1.774 20 5 BDBDRN CN(c1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353258314 387166824 /nfs/dbraw/zinc/16/68/24/387166824.db2.gz QXQCTNKOEHVWTD-UHFFFAOYSA-N 0 0 222.244 1.554 20 5 BDBDRN O=[N+]([O-])c1ccn(C[C@H](O)Cc2ccccc2)n1 ZINC000152239187 387172381 /nfs/dbraw/zinc/17/23/81/387172381.db2.gz GQUUBDSMEWEVCX-LLVKDONJSA-N 0 0 247.254 1.395 20 5 BDBDRN CO[C@@H]1CCC[C@H]1n1cc([N+](=O)[O-])c(C)n1 ZINC000295473658 387231696 /nfs/dbraw/zinc/23/16/96/387231696.db2.gz YFGNHEMDIYOJJL-PSASIEDQSA-N 0 0 225.248 1.840 20 5 BDBDRN O=[N+]([O-])c1ncn(Cc2cnoc2C2CC2)n1 ZINC000269933371 387293809 /nfs/dbraw/zinc/29/38/09/387293809.db2.gz PVAHVVCLNUZUPC-UHFFFAOYSA-N 0 0 235.203 1.100 20 5 BDBDRN CC[C@H](F)Cn1c(C)ncc1[N+](=O)[O-] ZINC000440589464 387363789 /nfs/dbraw/zinc/36/37/89/387363789.db2.gz GAVZPMWEZFWOGH-ZETCQYMHSA-N 0 0 201.201 1.848 20 5 BDBDRN CC(C)N(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000053674241 387384564 /nfs/dbraw/zinc/38/45/64/387384564.db2.gz LIKDVDIJPRZLJP-UHFFFAOYSA-N 0 0 237.259 1.657 20 5 BDBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000169069330 387480353 /nfs/dbraw/zinc/48/03/53/387480353.db2.gz WSYXMEQZNPIQJC-YUMQZZPRSA-N 0 0 238.247 1.222 20 5 BDBDRN CCC(O)(CC)CNc1ccc([N+](=O)[O-])cn1 ZINC000063992635 387752058 /nfs/dbraw/zinc/75/20/58/387752058.db2.gz IXJURDXJFBLAMK-UHFFFAOYSA-N 0 0 239.275 1.953 20 5 BDBDRN O=[N+]([O-])c1cc(F)ccc1N1CCO[C@@H]2C[C@@H]21 ZINC000368047836 387697466 /nfs/dbraw/zinc/69/74/66/387697466.db2.gz UZBAEZARBODNET-WDEREUQCSA-N 0 0 238.218 1.711 20 5 BDBDRN C[C@]1(F)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000347333859 387798901 /nfs/dbraw/zinc/79/89/01/387798901.db2.gz AUJGHCPOLPWHKD-JTQLQIEISA-N 0 0 242.254 1.225 20 5 BDBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)C(F)F ZINC000235747798 387856447 /nfs/dbraw/zinc/85/64/47/387856447.db2.gz MYJHEKBJVQQSAH-VIFPVBQESA-N 0 0 246.213 1.941 20 5 BDBDRN Cc1nccc(CNc2ccc([N+](=O)[O-])cn2)n1 ZINC000037999343 387908291 /nfs/dbraw/zinc/90/82/91/387908291.db2.gz WJGQDYKFZXSDAN-UHFFFAOYSA-N 0 0 245.242 1.700 20 5 BDBDRN O=[N+]([O-])c1ccc(NC[C@@H]2COCCO2)cc1 ZINC000037999385 387908327 /nfs/dbraw/zinc/90/83/27/387908327.db2.gz TXBUZVCJXHCMHP-LLVKDONJSA-N 0 0 238.243 1.422 20 5 BDBDRN C[C@@H](F)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590506887 388124903 /nfs/dbraw/zinc/12/49/03/388124903.db2.gz JKJCOKGSCSPZGI-SSDOTTSWSA-N 0 0 241.222 1.468 20 5 BDBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCS1 ZINC000171608123 388130073 /nfs/dbraw/zinc/13/00/73/388130073.db2.gz YILFZWRPNXSFHX-MRVPVSSYSA-N 0 0 239.300 1.932 20 5 BDBDRN Cc1n[nH]c(C)c1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000036734171 388258542 /nfs/dbraw/zinc/25/85/42/388258542.db2.gz NUUDGNXGLBCQKB-UHFFFAOYSA-N 0 0 249.230 1.515 20 5 BDBDRN COC(=O)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000042223210 388274023 /nfs/dbraw/zinc/27/40/23/388274023.db2.gz ICGOVLXRPCLQKJ-MRVPVSSYSA-N 0 0 238.243 1.246 20 5 BDBDRN O=[N+]([O-])c1ccc2c(c1N[C@H]1CCOC1)CCN2 ZINC000302904249 388346524 /nfs/dbraw/zinc/34/65/24/388346524.db2.gz VAGXSHLGXQBDHT-QMMMGPOBSA-N 0 0 249.270 1.764 20 5 BDBDRN CC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162098007 388346703 /nfs/dbraw/zinc/34/67/03/388346703.db2.gz YUYZVIPYZDTXOG-UHFFFAOYSA-N 0 0 220.228 1.894 20 5 BDBDRN C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000193431738 388348395 /nfs/dbraw/zinc/34/83/95/388348395.db2.gz LIAHFWMVBOAPHU-LURJTMIESA-N 0 0 214.246 1.463 20 5 BDBDRN C[C@@H](CCCO)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193473793 388355548 /nfs/dbraw/zinc/35/55/48/388355548.db2.gz NTUGKLQRRGGZIM-QMMMGPOBSA-N 0 0 239.275 1.750 20 5 BDBDRN CC(C)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000227214765 388359275 /nfs/dbraw/zinc/35/92/75/388359275.db2.gz WUXBAEDCLOHXNK-GFCCVEGCSA-N 0 0 238.287 1.701 20 5 BDBDRN CO[C@@H](Cn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000594886774 388369919 /nfs/dbraw/zinc/36/99/19/388369919.db2.gz AQUXQQWCPKUVCM-JTQLQIEISA-N 0 0 239.275 1.915 20 5 BDBDRN Cc1ncc([N+](=O)[O-])n1[C@@H]1COC(C)(C)C1 ZINC000594886748 388370369 /nfs/dbraw/zinc/37/03/69/388370369.db2.gz AHGXLPSBYUUYCR-QMMMGPOBSA-N 0 0 225.248 1.840 20 5 BDBDRN C[C@H](O)CN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000122684383 388405970 /nfs/dbraw/zinc/40/59/70/388405970.db2.gz BHUHKDQOAPMFML-LURJTMIESA-N 0 0 245.666 1.460 20 5 BDBDRN C[C@H]1CSCCN1c1ccc([N+](=O)[O-])nc1 ZINC000519792483 256660393 /nfs/dbraw/zinc/66/03/93/256660393.db2.gz PXIKLWPYZUVVBM-QMMMGPOBSA-N 0 0 239.300 1.932 20 5 BDBDRN C[C@H](C[S@](C)=O)Nc1ncccc1[N+](=O)[O-] ZINC000164195535 388390272 /nfs/dbraw/zinc/39/02/72/388390272.db2.gz VKIUJJMHHIKELZ-VGDKGRGNSA-N 0 0 243.288 1.169 20 5 BDBDRN Cc1cccc(N2CCC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000218823908 388393337 /nfs/dbraw/zinc/39/33/37/388393337.db2.gz YCYJBZDNJGHFRJ-SNVBAGLBSA-N 0 0 236.271 1.864 20 5 BDBDRN O=[N+]([O-])c1ccc(/C=C\c2cncnc2)nc1 ZINC000357710069 388394998 /nfs/dbraw/zinc/39/49/98/388394998.db2.gz UERDQKZRNZDBFI-UPHRSURJSA-N 0 0 228.211 1.950 20 5 BDBDRN CON(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153030892 388397262 /nfs/dbraw/zinc/39/72/62/388397262.db2.gz KODNHJAXMQEXLA-UHFFFAOYSA-N 0 0 238.243 1.547 20 5 BDBDRN O=[N+]([O-])c1ccccc1CNCc1cocn1 ZINC000237938231 388399681 /nfs/dbraw/zinc/39/96/81/388399681.db2.gz NPYXTPQVPDEPDJ-UHFFFAOYSA-N 0 0 233.227 1.873 20 5 BDBDRN O=[N+]([O-])c1cnc(NC[C@H]2CC[C@H](O)C2)s1 ZINC000193878629 388468254 /nfs/dbraw/zinc/46/82/54/388468254.db2.gz RMAQDECIDRKOQD-BQBZGAKWSA-N 0 0 243.288 1.624 20 5 BDBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000195393701 388470707 /nfs/dbraw/zinc/47/07/07/388470707.db2.gz SVIVBIJBYSIBRD-UHFFFAOYSA-N 0 0 247.210 1.513 20 5 BDBDRN CC[C@](C)(O)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692464 388471371 /nfs/dbraw/zinc/47/13/71/388471371.db2.gz RWOACDIWHPKUJV-NSHDSACASA-N 0 0 239.275 1.871 20 5 BDBDRN CCN(CC)c1ncc([N+](=O)[O-])s1 ZINC000195505186 388473678 /nfs/dbraw/zinc/47/36/78/388473678.db2.gz ZNRHLGHXSIFPHT-UHFFFAOYSA-N 0 0 201.251 1.898 20 5 BDBDRN O=[N+]([O-])c1ccccc1OCC1OCCO1 ZINC000172587051 388410682 /nfs/dbraw/zinc/41/06/82/388410682.db2.gz WTGUUSVOAWDCKB-UHFFFAOYSA-N 0 0 225.200 1.347 20 5 BDBDRN Cc1n[nH]cc1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454799 388416693 /nfs/dbraw/zinc/41/66/93/388416693.db2.gz WEYWSRNFPRKMII-UHFFFAOYSA-N 0 0 234.219 1.028 20 5 BDBDRN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397691464 388417806 /nfs/dbraw/zinc/41/78/06/388417806.db2.gz ATVNFJJSSHIYHO-AYMMMOKOSA-N 0 0 219.244 1.622 20 5 BDBDRN 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C[C@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000077227814 135059490 /nfs/dbraw/zinc/05/94/90/135059490.db2.gz ZPCCZGNATSLVLB-SFYZADRCSA-N 0 0 225.248 1.419 20 5 BDBDRN C[C@@H](CO)[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000077227349 135059942 /nfs/dbraw/zinc/05/99/42/135059942.db2.gz RTXGTTDQSYKOPF-JGVFFNPUSA-N 0 0 225.248 1.419 20 5 BDBDRN O=[N+]([O-])c1ccc(NCc2ccon2)nc1 ZINC000086443391 135085362 /nfs/dbraw/zinc/08/53/62/135085362.db2.gz PHEHUQZAIQEBIM-UHFFFAOYSA-N 0 0 220.188 1.590 20 5 BDBDRN O=[N+]([O-])c1cccc(SC[C@H](O)CO)c1 ZINC000086659960 135092941 /nfs/dbraw/zinc/09/29/41/135092941.db2.gz CYNUNUZMQBXGID-MRVPVSSYSA-N 0 0 229.257 1.040 20 5 BDBDRN CNc1c(C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000164115168 135213903 /nfs/dbraw/zinc/21/39/03/135213903.db2.gz JLTCPKFDKVNSNT-UHFFFAOYSA-N 0 0 223.232 1.338 20 5 BDBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](C2CC2)C1 ZINC000334390786 135385394 /nfs/dbraw/zinc/38/53/94/135385394.db2.gz UFLLNWSMBARTFE-SECBINFHSA-N 0 0 249.270 1.795 20 5 BDBDRN CC(C)[C@@](C)(O)CNc1ncccc1[N+](=O)[O-] ZINC000078620350 135394877 /nfs/dbraw/zinc/39/48/77/135394877.db2.gz GNEHIZMBBWILSA-NSHDSACASA-N 0 0 239.275 1.809 20 5 BDBDRN NCC(F)(F)CNc1ccccc1[N+](=O)[O-] ZINC000164922742 135453681 /nfs/dbraw/zinc/45/36/81/135453681.db2.gz FXSMIDIJUCCNHL-UHFFFAOYSA-N 0 0 231.202 1.601 20 5 BDBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cn[nH]c2)c1 ZINC000088147622 135516075 /nfs/dbraw/zinc/51/60/75/135516075.db2.gz ZGHMRKJMWZCNIQ-UHFFFAOYSA-N 0 0 246.226 1.879 20 5 BDBDRN CC(C)=CCNc1c([N+](=O)[O-])ncn1C ZINC000232634948 135665535 /nfs/dbraw/zinc/66/55/35/135665535.db2.gz NGLGOGHJKSKABE-UHFFFAOYSA-N 0 0 210.237 1.706 20 5 BDBDRN O=C(N[C@H]1CCSC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000334606378 135783695 /nfs/dbraw/zinc/78/36/95/135783695.db2.gz MGEFJJRLUMYFHR-LURJTMIESA-N 0 0 241.272 1.158 20 5 BDBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](F)C1 ZINC000334868938 135828622 /nfs/dbraw/zinc/82/86/22/135828622.db2.gz USQOYCVUBQOMNP-VIFPVBQESA-N 0 0 238.218 1.779 20 5 BDBDRN Cn1c(C(=O)NCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000347782647 136009412 /nfs/dbraw/zinc/00/94/12/136009412.db2.gz YBLAPGWVTHMCFN-UHFFFAOYSA-N 0 0 239.275 1.709 20 5 BDBDRN Cc1cncc(=O)n1Cc1ccccc1[N+](=O)[O-] ZINC000348075094 136034162 /nfs/dbraw/zinc/03/41/62/136034162.db2.gz MVZSRMWQXUKMHC-UHFFFAOYSA-N 0 0 245.238 1.508 20 5 BDBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CC2)C1 ZINC000335400178 136094140 /nfs/dbraw/zinc/09/41/40/136094140.db2.gz PVAQFHJTCMOYDA-UHFFFAOYSA-N 0 0 246.266 1.760 20 5 BDBDRN C[C@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])cn1 ZINC000295037203 397751595 /nfs/dbraw/zinc/75/15/95/397751595.db2.gz SKJCQCSTHMBYCI-MRVPVSSYSA-N 0 0 239.275 1.951 20 5 BDBDRN O=[N+]([O-])c1cccc(F)c1Cn1ccnc1 ZINC000103465628 397780527 /nfs/dbraw/zinc/78/05/27/397780527.db2.gz QETKAOVUSMQPRI-UHFFFAOYSA-N 0 0 221.191 1.979 20 5 BDBDRN CO[C@@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000290625457 397855530 /nfs/dbraw/zinc/85/55/30/397855530.db2.gz GRJYEGZTYOHXJO-RITPCOANSA-N 0 0 231.277 1.887 20 5 BDBDRN NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000007093757 397963762 /nfs/dbraw/zinc/96/37/62/397963762.db2.gz ZMBSZBRXHZQVGU-UHFFFAOYSA-N 0 0 226.257 1.313 20 5 BDBDRN CCCCN(CC)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159282128 398091824 /nfs/dbraw/zinc/09/18/24/398091824.db2.gz VDHXFFXNVBLMLD-UHFFFAOYSA-N 0 0 240.263 1.580 20 5 BDBDRN CC(=O)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347440757 398117145 /nfs/dbraw/zinc/11/71/45/398117145.db2.gz NREHYWWSDCPMCJ-LURJTMIESA-N 0 0 239.231 1.020 20 5 BDBDRN Cc1n[nH]cc1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000265093460 398113167 /nfs/dbraw/zinc/11/31/67/398113167.db2.gz BBYOJISELUEGRJ-UHFFFAOYSA-N 0 0 236.235 1.412 20 5 BDBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CO1 ZINC000402345916 398114388 /nfs/dbraw/zinc/11/43/88/398114388.db2.gz QTMMHRIBYVMUKN-VXNVDRBHSA-N 0 0 223.232 1.579 20 5 BDBDRN O=[N+]([O-])c1cn(Cc2ccon2)nc1C1CC1 ZINC000195044559 398130439 /nfs/dbraw/zinc/13/04/39/398130439.db2.gz AMGKSGLOUBBFAO-UHFFFAOYSA-N 0 0 234.215 1.705 20 5 BDBDRN CC(C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131495860 167087038 /nfs/dbraw/zinc/08/70/38/167087038.db2.gz YUFIMGYPLGUOHM-UHFFFAOYSA-N 0 0 226.207 1.872 20 5 BDBDRN CC(C)OC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000336693149 167172478 /nfs/dbraw/zinc/17/24/78/167172478.db2.gz XOUPPJJFZWCHJT-UHFFFAOYSA-N 0 0 225.204 1.137 20 5 BDBDRN CC(C)CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270944713 166937878 /nfs/dbraw/zinc/93/78/78/166937878.db2.gz GEWQRCOLIYRPRK-UHFFFAOYSA-N 0 0 226.236 1.046 20 5 BDBDRN CC(C)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186776010 167000666 /nfs/dbraw/zinc/00/06/66/167000666.db2.gz VZZILOJGKUETRH-UHFFFAOYSA-N 0 0 239.231 1.081 20 5 BDBDRN CC(C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124550252 167079512 /nfs/dbraw/zinc/07/95/12/167079512.db2.gz IDRIEILEDZFJOB-UHFFFAOYSA-N 0 0 224.220 1.520 20 5 BDBDRN CC(C)Oc1nc(Cl)ncc1[N+](=O)[O-] ZINC000095831303 167312643 /nfs/dbraw/zinc/31/26/43/167312643.db2.gz OYNYBMBZNDNLHY-UHFFFAOYSA-N 0 0 217.612 1.825 20 5 BDBDRN CC(C)[C@@H](C)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271020767 167366212 /nfs/dbraw/zinc/36/62/12/167366212.db2.gz NLPYTEWIXJNVHI-SSDOTTSWSA-N 0 0 240.263 1.434 20 5 BDBDRN CC(F)(F)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000295927549 167816056 /nfs/dbraw/zinc/81/60/56/167816056.db2.gz JNABUWKIZJUDGM-UHFFFAOYSA-N 0 0 248.185 1.963 20 5 BDBDRN CC1(C(=O)Cn2cnc([N+](=O)[O-])c2)CC1 ZINC000279879790 167863367 /nfs/dbraw/zinc/86/33/67/167863367.db2.gz HFZLUYFOMDBQQE-UHFFFAOYSA-N 0 0 209.205 1.161 20 5 BDBDRN CC1(C)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000286534444 167936671 /nfs/dbraw/zinc/93/66/71/167936671.db2.gz VFXXTAJLFIGDTI-QMMMGPOBSA-N 0 0 222.248 1.985 20 5 BDBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000128973864 168001615 /nfs/dbraw/zinc/00/16/15/168001615.db2.gz NSQLGYQREIRJEO-IUCAKERBSA-N 0 0 237.259 1.561 20 5 BDBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000189690853 168002298 /nfs/dbraw/zinc/00/22/98/168002298.db2.gz NIWBNOHDSVYNMO-WDSKDSINSA-N 0 0 243.288 1.623 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CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000006623585 170103029 /nfs/dbraw/zinc/10/30/29/170103029.db2.gz DBSGAFDPUNKFCZ-UHFFFAOYSA-N 0 0 249.270 1.919 20 5 BDBDRN CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042566572 170104338 /nfs/dbraw/zinc/10/43/38/170104338.db2.gz OFLFHXGXTSKLSL-UHFFFAOYSA-N 0 0 200.219 1.406 20 5 BDBDRN CCOC(=O)COc1cc([N+](=O)[O-])ccc1C ZINC000035677980 170228791 /nfs/dbraw/zinc/22/87/91/170228791.db2.gz PCNWHDVLJGXZCQ-UHFFFAOYSA-N 0 0 239.227 1.845 20 5 BDBDRN CCOC(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000043638095 170248495 /nfs/dbraw/zinc/24/84/95/170248495.db2.gz FCIVHUCWGYVYAC-SSDOTTSWSA-N 0 0 240.215 1.320 20 5 BDBDRN CCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000039084190 170288956 /nfs/dbraw/zinc/28/89/56/170288956.db2.gz JJADRTXUDSBDON-UHFFFAOYSA-N 0 0 210.189 1.354 20 5 BDBDRN CCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000014492542 170297300 /nfs/dbraw/zinc/29/73/00/170297300.db2.gz GKMPAXGWSYMQMX-UHFFFAOYSA-N 0 0 225.200 1.780 20 5 BDBDRN CCOCC(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000076608905 170350730 /nfs/dbraw/zinc/35/07/30/170350730.db2.gz NWFOLNOEXAQMMS-UHFFFAOYSA-N 0 0 239.227 1.845 20 5 BDBDRN CCOCCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296563958 170383672 /nfs/dbraw/zinc/38/36/72/170383672.db2.gz PURKZRQLUYXUHX-UHFFFAOYSA-N 0 0 240.263 1.532 20 5 BDBDRN CC[C@@H](CCO)Nc1ccncc1[N+](=O)[O-] ZINC000125662878 170821471 /nfs/dbraw/zinc/82/14/71/170821471.db2.gz NWRZVUDKQVUCBB-QMMMGPOBSA-N 0 0 225.248 1.563 20 5 BDBDRN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000293848728 171020531 /nfs/dbraw/zinc/02/05/31/171020531.db2.gz BQWKURLRTXLYGT-SSDOTTSWSA-N 0 0 223.232 1.547 20 5 BDBDRN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000270483216 171097621 /nfs/dbraw/zinc/09/76/21/171097621.db2.gz PQZJMUUEEVPEOB-SCZZXKLOSA-N 0 0 237.259 1.197 20 5 BDBDRN CC[C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186735729 171338024 /nfs/dbraw/zinc/33/80/24/171338024.db2.gz RDSAZWXGHMQGTJ-LURJTMIESA-N 0 0 239.231 1.224 20 5 BDBDRN CC[C@H](C)Nc1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC000286930086 171349632 /nfs/dbraw/zinc/34/96/32/171349632.db2.gz LLASBYPVCWPQGU-QMMMGPOBSA-N 0 0 225.248 1.747 20 5 BDBDRN CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])cn1 ZINC000264751143 171378473 /nfs/dbraw/zinc/37/84/73/171378473.db2.gz ATBCKAFJIWMFJB-WPRPVWTQSA-N 0 0 239.275 1.809 20 5 BDBDRN CC[C@H](CNc1ncc([N+](=O)[O-])cn1)OC ZINC000290635238 171441424 /nfs/dbraw/zinc/44/14/24/171441424.db2.gz HKYJPBKMMUZHDA-MRVPVSSYSA-N 0 0 226.236 1.222 20 5 BDBDRN CC[C@H](CO)N(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000294067111 171444571 /nfs/dbraw/zinc/44/45/71/171444571.db2.gz KNHVVILIHHIPJP-SECBINFHSA-N 0 0 239.275 1.505 20 5 BDBDRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111046317 171455141 /nfs/dbraw/zinc/45/51/41/171455141.db2.gz OSOROVWOQGFNBJ-MRVPVSSYSA-N 0 0 240.259 1.786 20 5 BDBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](C)C1 ZINC000289005534 172136972 /nfs/dbraw/zinc/13/69/72/172136972.db2.gz WUERUUHGTUDZCW-QMMMGPOBSA-N 0 0 238.291 1.966 20 5 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ZINC000853799537 645498828 /nfs/dbraw/zinc/49/88/28/645498828.db2.gz JAPXLDVKDMRQPW-VIFPVBQESA-N 0 0 249.270 1.800 20 5 BDBDRN CC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000927660381 645636946 /nfs/dbraw/zinc/63/69/46/645636946.db2.gz DZPQXLQTKHTGMF-SSDOTTSWSA-N 0 0 240.215 1.068 20 5 BDBDRN C[C@@H]1C[C@H](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000928185921 645706820 /nfs/dbraw/zinc/70/68/20/645706820.db2.gz VADPVSQNFZMEAQ-GWOFURMSSA-N 0 0 240.303 1.546 20 5 BDBDRN C[C@@H](O)C[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882173629 645840299 /nfs/dbraw/zinc/84/02/99/645840299.db2.gz AVQUBLQCVNSTQA-RNFRBKRXSA-N 0 0 243.238 1.700 20 5 BDBDRN CN(CC[N+](=O)[O-])Cc1cccs1 ZINC000929208398 646006957 /nfs/dbraw/zinc/00/69/57/646006957.db2.gz VVNHIAKNDYQSHU-UHFFFAOYSA-N 0 0 200.263 1.457 20 5 BDBDRN C[C@@H]1c2ccccc2CCN1CC[N+](=O)[O-] ZINC000929599117 646189948 /nfs/dbraw/zinc/18/99/48/646189948.db2.gz XHWVDFMEPDPWHY-SNVBAGLBSA-N 0 0 220.272 1.882 20 5 BDBDRN COc1ccccc1[C@@H](C)NCC[N+](=O)[O-] ZINC000930180981 646481785 /nfs/dbraw/zinc/48/17/85/646481785.db2.gz XBOUWYMMXWPJPP-SECBINFHSA-N 0 0 224.260 1.623 20 5 BDBDRN CC[C@@H](C)OC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000729079334 711790486 /nfs/dbraw/zinc/79/04/86/711790486.db2.gz XGDVCZJSEITYDB-SSDOTTSWSA-N 0 0 241.247 1.441 20 5 BDBDRN CC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000060774418 711795313 /nfs/dbraw/zinc/79/53/13/711795313.db2.gz UANDGGSQJIUXLJ-UHFFFAOYSA-N 0 0 201.203 1.719 20 5 BDBDRN O=[N+]([O-])c1nccn1CC1(O)CCCCC1 ZINC000702345202 712045719 /nfs/dbraw/zinc/04/57/19/712045719.db2.gz DCFUKKQGBCQMKB-UHFFFAOYSA-N 0 0 225.248 1.487 20 5 BDBDRN Cc1ccccc1OCCN(C)CC[N+](=O)[O-] ZINC000791052713 712422082 /nfs/dbraw/zinc/42/20/82/712422082.db2.gz ASVKRQQKCVACGR-UHFFFAOYSA-N 0 0 238.287 1.582 20 5 BDBDRN COCOCCCNc1cccnc1[N+](=O)[O-] ZINC000717652715 712663096 /nfs/dbraw/zinc/66/30/96/712663096.db2.gz AIBREUVCHOHZBB-UHFFFAOYSA-N 0 0 241.247 1.412 20 5 BDBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CC(O)C3)nc1 ZINC000724982358 711640831 /nfs/dbraw/zinc/64/08/31/711640831.db2.gz XHLMTOOYZRRIGZ-INWMGODYSA-N 0 0 235.243 1.315 20 5 BDBDRN O=C1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CN1 ZINC000225823377 711829588 /nfs/dbraw/zinc/82/95/88/711829588.db2.gz HWFLAUKICIFVSO-LURJTMIESA-N 0 0 239.206 1.034 20 5 BDBDRN O=[N+]([O-])c1ncn(Cc2csc(Cl)n2)n1 ZINC000306365559 711980754 /nfs/dbraw/zinc/98/07/54/711980754.db2.gz GUVIPSQRYUHSMU-UHFFFAOYSA-N 0 0 245.651 1.345 20 5 BDBDRN Cc1c(CNc2cn(C)nn2)cccc1[N+](=O)[O-] ZINC000701756292 712028719 /nfs/dbraw/zinc/02/87/19/712028719.db2.gz ZCOJEUSJEHCPTH-UHFFFAOYSA-N 0 0 247.258 1.644 20 5 BDBDRN O=[N+]([O-])c1ccccc1CN1CC=CCN1 ZINC000705142268 712123477 /nfs/dbraw/zinc/12/34/77/712123477.db2.gz QQGKESMKYTZFOK-UHFFFAOYSA-N 0 0 219.244 1.471 20 5 BDBDRN Cc1nn(C)c(NCc2ncccn2)c1[N+](=O)[O-] ZINC000705417667 712131509 /nfs/dbraw/zinc/13/15/09/712131509.db2.gz DAHOTADNHVREOH-UHFFFAOYSA-N 0 0 248.246 1.039 20 5 BDBDRN 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