smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000145466886 136213525 /nfs/dbraw/zinc/21/35/25/136213525.db2.gz UJLCQMCMADLUIP-UHFFFAOYSA-N 0 1 224.220 0.990 20 5 BCBDMN O=C(NCCCCCO)c1n[nH]cc1[N+](=O)[O-] ZINC000344646683 136232067 /nfs/dbraw/zinc/23/20/67/136232067.db2.gz QCXWBFWBWKTJGC-UHFFFAOYSA-N 0 1 242.235 0.210 20 5 BCBDMN CN(Cc1nnc[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000301374022 398270688 /nfs/dbraw/zinc/27/06/88/398270688.db2.gz VHGCKHOSTSZRSK-UHFFFAOYSA-N 0 1 234.219 0.744 20 5 BCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](O)C1 ZINC000330457036 398315815 /nfs/dbraw/zinc/31/58/15/398315815.db2.gz QDLSKJARCZJXEZ-SNVBAGLBSA-N 0 1 238.243 0.867 20 5 BCBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000330457036 398315817 /nfs/dbraw/zinc/31/58/17/398315817.db2.gz QDLSKJARCZJXEZ-SNVBAGLBSA-N 0 1 238.243 0.867 20 5 BCBDMN Cc1nn(Cc2n[nH]c(=O)s2)cc1[N+](=O)[O-] ZINC000570726939 323068796 /nfs/dbraw/zinc/06/87/96/323068796.db2.gz NWYABHHEGCOECN-UHFFFAOYSA-N 0 1 241.232 0.705 20 5 BCBDMN CN(C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000170769490 346446896 /nfs/dbraw/zinc/44/68/96/346446896.db2.gz HCJYSGRWXRDQSC-UHFFFAOYSA-N 0 1 237.259 0.773 20 5 BCBDMN CN(CC1CN(C)C1)c1cccnc1[N+](=O)[O-] ZINC000596453433 348551706 /nfs/dbraw/zinc/55/17/06/348551706.db2.gz JCNSPHHUACVUSI-UHFFFAOYSA-N 0 1 236.275 0.988 20 5 BCBDMN CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599209212 349119355 /nfs/dbraw/zinc/11/93/55/349119355.db2.gz ZIBBFMPWRZKLEE-UHFFFAOYSA-N 0 1 248.264 0.017 20 5 BCBDMN CC(F)(F)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000563920706 323322647 /nfs/dbraw/zinc/32/26/47/323322647.db2.gz OTDOPOXILQJGKW-UHFFFAOYSA-N 0 1 234.162 0.703 20 5 BCBDMN C[C@H]1CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343952734 351004452 /nfs/dbraw/zinc/00/44/52/351004452.db2.gz JIGHAOOZMDUOEA-WDSKDSINSA-N 0 1 224.220 0.846 20 5 BCBDMN CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000344026361 351010285 /nfs/dbraw/zinc/01/02/85/351010285.db2.gz GHFUWYRIBFKGMI-UHFFFAOYSA-N 0 1 224.220 0.848 20 5 BCBDMN C[C@@H](CCO)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344308677 351023479 /nfs/dbraw/zinc/02/34/79/351023479.db2.gz KVRQLJDIPWZKEX-LURJTMIESA-N 0 1 242.235 0.066 20 5 BCBDMN CCc1[nH]nc(C(=O)N(C)CC)c1[N+](=O)[O-] ZINC000171807156 187646596 /nfs/dbraw/zinc/64/65/96/187646596.db2.gz DDRZVKPPIZZYIY-UHFFFAOYSA-N 0 1 226.236 0.972 20 5 BCBDMN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1n[nH]cc1[N+](=O)[O-] ZINC000428083587 191879496 /nfs/dbraw/zinc/87/94/96/191879496.db2.gz KATGCPDYMHBWML-BDINMYNLSA-N 0 1 236.231 0.846 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000053372218 356705822 /nfs/dbraw/zinc/70/58/22/356705822.db2.gz SDBOBRVBEYMLES-XFWSIPNHSA-N 0 1 240.259 0.432 20 5 BCBDMN O=C(NCc1cnc[nH]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000088759366 356808880 /nfs/dbraw/zinc/80/88/80/356808880.db2.gz KBVSSOMPZUJUMG-UHFFFAOYSA-N 0 1 235.203 0.576 20 5 BCBDMN O=[N+]([O-])c1ccc(CN[C@H]2COC[C@H]2O)cc1 ZINC000037894597 371289740 /nfs/dbraw/zinc/28/97/40/371289740.db2.gz FHPRMDUAKOGKHW-WDEREUQCSA-N 0 1 238.243 0.444 20 5 BCBDMN O=C(NCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159627996 182142334 /nfs/dbraw/zinc/14/23/34/182142334.db2.gz HZIRMYYYTUPIOJ-UHFFFAOYSA-N 0 1 210.193 0.458 20 5 BCBDMN O=C(NCc1nnc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000037921073 182271496 /nfs/dbraw/zinc/27/14/96/182271496.db2.gz KKYRTUUERKDZJF-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN O=C(N[C@@H]1CC[C@@H](F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000360358600 182308092 /nfs/dbraw/zinc/30/80/92/182308092.db2.gz GRUFZWHJCGBMQE-PHDIDXHHSA-N 0 1 242.210 0.938 20 5 BCBDMN C[C@]1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCOC1 ZINC000127799050 383958831 /nfs/dbraw/zinc/95/88/31/383958831.db2.gz NHDHORCKPNOUJY-VIFPVBQESA-N 0 1 240.219 0.227 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C2CC2)C1 ZINC000362397065 384204263 /nfs/dbraw/zinc/20/42/63/384204263.db2.gz QROIUYPEOMVGJQ-IVZWLZJFSA-N 0 1 224.260 0.910 20 5 BCBDMN C[C@H]1OCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135226310 384425510 /nfs/dbraw/zinc/42/55/10/384425510.db2.gz YZKNXKBJONTOHV-RITPCOANSA-N 0 1 240.219 0.225 20 5 BCBDMN Cc1[nH]nc(C(=O)N2CCCOC2)c1[N+](=O)[O-] ZINC000288530812 385160434 /nfs/dbraw/zinc/16/04/34/385160434.db2.gz WXPBEHNOKSBWHY-UHFFFAOYSA-N 0 1 240.219 0.446 20 5 BCBDMN C[C@@H](CF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360595727 385293113 /nfs/dbraw/zinc/29/31/13/385293113.db2.gz KTIKYZVJKMYJHJ-BYPYZUCNSA-N 0 1 216.172 0.406 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]12CCOC2 ZINC000367641645 386684535 /nfs/dbraw/zinc/68/45/35/386684535.db2.gz DMYNTHMVAKNLEW-YWVKMMECSA-N 0 1 240.259 0.433 20 5 BCBDMN O=[N+]([O-])c1ccn(CCSc2cn[nH]n2)n1 ZINC000268140542 386868174 /nfs/dbraw/zinc/86/81/74/386868174.db2.gz KKPWXEUYHBIACJ-UHFFFAOYSA-N 0 1 240.248 0.702 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCOC2(CCC2)C1 ZINC000367249039 387035948 /nfs/dbraw/zinc/03/59/48/387035948.db2.gz REMDTMAKVJMESR-IUCAKERBSA-N 0 1 240.259 0.433 20 5 BCBDMN CO[C@@H](C)[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000191442958 387402231 /nfs/dbraw/zinc/40/22/31/387402231.db2.gz OOKZDOMQXWIWFB-WDSKDSINSA-N 0 1 242.235 0.471 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@]2(CCOC2)C1 ZINC000371949567 387916513 /nfs/dbraw/zinc/91/65/13/387916513.db2.gz ILKCYQVPGXDZHG-YWVKMMECSA-N 0 1 240.259 0.291 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@](O)(C2CC2)C1 ZINC000373256591 388226549 /nfs/dbraw/zinc/22/65/49/388226549.db2.gz OSFFQFOBGBCAFZ-YWVKMMECSA-N 0 1 240.259 0.025 20 5 BCBDMN CCO[C@@H]1C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000555972719 388345149 /nfs/dbraw/zinc/34/51/49/388345149.db2.gz LVDZLQSMYRHDMM-IYSWYEEDSA-N 0 1 240.219 0.225 20 5 BCBDMN CN[C@@H](C)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649304 388360552 /nfs/dbraw/zinc/36/05/52/388360552.db2.gz KAYJHGMPCZAUKL-ZETCQYMHSA-N 0 1 248.246 0.851 20 5 BCBDMN CN[C@H](C)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649303 388360961 /nfs/dbraw/zinc/36/09/61/388360961.db2.gz KAYJHGMPCZAUKL-SSDOTTSWSA-N 0 1 248.246 0.851 20 5 BCBDMN CCC[C@@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270892097 388368674 /nfs/dbraw/zinc/36/86/74/388368674.db2.gz QNFXZUTYUBBYSH-ZCFIWIBFSA-N 0 1 242.235 0.209 20 5 BCBDMN CC[C@@H](CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000305741874 388373660 /nfs/dbraw/zinc/37/36/60/388373660.db2.gz NOCAPYUGAAUSMM-LURJTMIESA-N 0 1 242.235 0.209 20 5 BCBDMN CN(C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000193555533 388375390 /nfs/dbraw/zinc/37/53/90/388375390.db2.gz TWDALIOTEGCLLZ-UHFFFAOYSA-N 0 1 237.259 0.773 20 5 BCBDMN CN(C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000170761784 388453538 /nfs/dbraw/zinc/45/35/38/388453538.db2.gz STNVGODVROAKPD-UHFFFAOYSA-N 0 1 237.259 0.773 20 5 BCBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(O)C1 ZINC000272699070 388508326 /nfs/dbraw/zinc/50/83/26/388508326.db2.gz SVILUDPAYROXIN-UHFFFAOYSA-N 0 1 238.199 0.117 20 5 BCBDMN O=[N+]([O-])c1cnc(N2CC[N@H+]3CC[C@H]2C3)nc1 ZINC000599082771 398002327 /nfs/dbraw/zinc/00/23/27/398002327.db2.gz HLICTPCWRQOZLJ-QMMMGPOBSA-N 0 1 235.247 0.279 20 5 BCBDMN O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CO)c1 ZINC000174867928 398015615 /nfs/dbraw/zinc/01/56/15/398015615.db2.gz LUEJVRGUXMHUKH-VIFPVBQESA-N 0 1 240.263 0.248 20 5 BCBDMN CCn1cc(Nc2ncc([N+](=O)[O-])c(N)n2)cn1 ZINC000341799980 411903697 /nfs/dbraw/zinc/90/36/97/411903697.db2.gz QPHDYXHLCNSCHH-UHFFFAOYSA-N 0 1 249.234 0.927 20 5 BCBDMN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1 ZINC000088059085 177227243 /nfs/dbraw/zinc/22/72/43/177227243.db2.gz ZWHQOSMCQBNHLL-ZETCQYMHSA-N 0 1 238.247 0.357 20 5 BCBDMN C[C@H]1CNCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054369640 177283689 /nfs/dbraw/zinc/28/36/89/177283689.db2.gz BZLMLVLOFKJDHK-ZETCQYMHSA-N 0 1 238.247 0.357 20 5 BCBDMN C[C@H]1C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270652803 177344666 /nfs/dbraw/zinc/34/46/66/177344666.db2.gz BRBDDGIHVMDIKH-NTSWFWBYSA-N 0 1 224.220 0.704 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000365860911 488117449 /nfs/dbraw/zinc/11/74/49/488117449.db2.gz AOWHTOPQQJLIKJ-WPYKOPORSA-N 0 1 238.243 0.374 20 5 BCBDMN O=[N+]([O-])c1ccc(N2CC[N@H+]3CC[C@H]2C3)cn1 ZINC000599083492 566270840 /nfs/dbraw/zinc/27/08/40/566270840.db2.gz NROFJRPGQWSNOL-JTQLQIEISA-N 0 1 234.259 0.884 20 5 BCBDMN CN(Cc1c[nH]cn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855134930 588822919 /nfs/dbraw/zinc/82/29/19/588822919.db2.gz CDWOKUQXQQKNEM-HTQZYQBOSA-N 0 1 224.220 0.033 20 5 BCBDMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CO1 ZINC000855176423 588825419 /nfs/dbraw/zinc/82/54/19/588825419.db2.gz ZCHVXBNSEJYEDR-BWZBUEFSSA-N 0 1 228.248 0.335 20 5 BCBDMN C[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000855839946 588850222 /nfs/dbraw/zinc/85/02/22/588850222.db2.gz AMFDSFPKUNKGOP-YSSBGUOXSA-N 0 1 240.259 0.147 20 5 BCBDMN C[C@@H](O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855864529 588852004 /nfs/dbraw/zinc/85/20/04/588852004.db2.gz DDWBCZFVNTUEIK-FNCVBFRFSA-N 0 1 228.248 0.023 20 5 BCBDMN O=C(N[C@H]1C[C@H](O)C12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000855922306 588854021 /nfs/dbraw/zinc/85/40/21/588854021.db2.gz JMEIBBIVMCSNSP-HXFLIBJXSA-N 0 1 240.259 0.071 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2COC[C@@H]2C1 ZINC000856151227 583116278 /nfs/dbraw/zinc/11/62/78/583116278.db2.gz OWHQKXFOIURYAA-UTINFBMNSA-N 0 1 240.259 0.147 20 5 BCBDMN COC(=O)/C(C)=C/COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671699 583407463 /nfs/dbraw/zinc/40/74/63/583407463.db2.gz ZKBPQWHPKISPIO-DZPDEKMQSA-N 0 1 243.215 0.314 20 5 BCBDMN O=C(OCCCCF)[C@@H]1CC1[N+](=O)[O-] ZINC000840673546 583424205 /nfs/dbraw/zinc/42/42/05/583424205.db2.gz RYYXQAFEHPTEMF-RNFRBKRXSA-N 0 1 205.185 0.945 20 5 BCBDMN O=C(OCC[C@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673824 583427483 /nfs/dbraw/zinc/42/74/83/583427483.db2.gz AHMWOQRJJWQRFX-IWSPIJDZSA-N 0 1 229.232 0.621 20 5 BCBDMN CCN1CC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000895161643 583610298 /nfs/dbraw/zinc/61/02/98/583610298.db2.gz SOXKXRLFXWGGOT-MRVPVSSYSA-N 0 1 239.279 0.834 20 5 BCBDMN O=C(N[C@H]1CCn2cncc21)[C@@H]1CC1[N+](=O)[O-] ZINC000857977706 588926680 /nfs/dbraw/zinc/92/66/80/588926680.db2.gz YBXWOVHJJVSGJY-GJMOJQLCSA-N 0 1 236.231 0.109 20 5 BCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000899340164 584197026 /nfs/dbraw/zinc/19/70/26/584197026.db2.gz LAZGBNHSHXKOGY-FNCVBFRFSA-N 0 1 228.248 0.023 20 5 BCBDMN COc1ccc([C@H](O)CNCC[N+](=O)[O-])cc1 ZINC000899869318 584243989 /nfs/dbraw/zinc/24/39/89/584243989.db2.gz CKPCFCQVGNSYCV-LLVKDONJSA-N 0 1 240.259 0.595 20 5 BCBDMN O=C(O[C@@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842323350 584892169 /nfs/dbraw/zinc/89/21/69/584892169.db2.gz SMBSUZGOXXYRDH-BWZBUEFSSA-N 0 1 215.205 0.374 20 5 BCBDMN COC(=O)C[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842336969 584892361 /nfs/dbraw/zinc/89/23/61/584892361.db2.gz DGVQKSRSYLKMQV-RRKCRQDMSA-N 0 1 231.204 0.146 20 5 BCBDMN Cc1ncc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839567044 585330461 /nfs/dbraw/zinc/33/04/61/585330461.db2.gz FGPDHPNBKFOHRW-HTQZYQBOSA-N 0 1 241.272 0.733 20 5 BCBDMN CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839572138 585330515 /nfs/dbraw/zinc/33/05/15/585330515.db2.gz MJGUVBQQEBKTRX-RNFRBKRXSA-N 0 1 200.238 0.814 20 5 BCBDMN O=C(NC[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839580330 585331080 /nfs/dbraw/zinc/33/10/80/585331080.db2.gz YGBJBDQARJZDNI-DJLDLDEBSA-N 0 1 228.248 0.337 20 5 BCBDMN CN(CCc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839598574 585331512 /nfs/dbraw/zinc/33/15/12/585331512.db2.gz UYUDALKJPPQOAO-GHMZBOCLSA-N 0 1 249.270 0.748 20 5 BCBDMN CN(C[C@H]1CCCOC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839668018 585334723 /nfs/dbraw/zinc/33/47/23/585334723.db2.gz VWFKCKNIPFPGFD-OPRDCNLKSA-N 0 1 242.275 0.537 20 5 BCBDMN CC(C)(C)C[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686286 585335419 /nfs/dbraw/zinc/33/54/19/585335419.db2.gz LIDBJOGLOSRDHQ-DJLDLDEBSA-N 0 1 244.291 0.565 20 5 BCBDMN CSCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686829 585335421 /nfs/dbraw/zinc/33/54/21/585335421.db2.gz VZMXWWAGOPHRCR-BWZBUEFSSA-N 0 1 232.305 0.909 20 5 BCBDMN CC[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839700886 585335967 /nfs/dbraw/zinc/33/59/67/585335967.db2.gz NLIZCTDRYISVBV-DJLDLDEBSA-N 0 1 212.249 0.910 20 5 BCBDMN C[C@@H](C[C@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703879 585337543 /nfs/dbraw/zinc/33/75/43/585337543.db2.gz PQYIZTFWMIIMGE-SGIHWFKDSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1(C)C ZINC000839706201 585337772 /nfs/dbraw/zinc/33/77/72/585337772.db2.gz OCPLIQWPGDJOEK-DJLDLDEBSA-N 0 1 242.275 0.678 20 5 BCBDMN CCCN(CC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708622 585337784 /nfs/dbraw/zinc/33/77/84/585337784.db2.gz KNEAKMMSYPYYRB-HTQZYQBOSA-N 0 1 244.247 0.063 20 5 BCBDMN CN(CCOC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708985 585337792 /nfs/dbraw/zinc/33/77/92/585337792.db2.gz ZORJPHJNLRVZCV-RKDXNWHRSA-N 0 1 244.291 0.925 20 5 BCBDMN CS[C@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710468 585338035 /nfs/dbraw/zinc/33/80/35/585338035.db2.gz NHEDIYICDYUFNG-FSDSQADBSA-N 0 1 218.278 0.519 20 5 BCBDMN C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711896 585338084 /nfs/dbraw/zinc/33/80/84/585338084.db2.gz BATOXHDANAPCTJ-AXTSPUMRSA-N 0 1 242.275 0.414 20 5 BCBDMN CN(C[C@H]1CCC[C@@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712505 585338145 /nfs/dbraw/zinc/33/81/45/585338145.db2.gz IXRJEIUZDDQKES-KYXWUPHJSA-N 0 1 242.275 0.271 20 5 BCBDMN CS[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710478 585338196 /nfs/dbraw/zinc/33/81/96/585338196.db2.gz NHEDIYICDYUFNG-RRKCRQDMSA-N 0 1 218.278 0.519 20 5 BCBDMN CC[C@@H](C[C@H](C)CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715112 585338210 /nfs/dbraw/zinc/33/82/10/585338210.db2.gz SGYKWQKEZNZQSB-AXTSPUMRSA-N 0 1 244.291 0.565 20 5 BCBDMN CC(C)C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718244 585338469 /nfs/dbraw/zinc/33/84/69/585338469.db2.gz NYCMDRLSFSBSLW-IWSPIJDZSA-N 0 1 230.264 0.175 20 5 BCBDMN Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c(=O)[nH]1 ZINC000839726433 585338542 /nfs/dbraw/zinc/33/85/42/585338542.db2.gz PFOSZHXMFQYLGI-HTRCEHHLSA-N 0 1 237.215 0.699 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000839764174 585339030 /nfs/dbraw/zinc/33/90/30/585339030.db2.gz YLZZHRQSCSQQES-LURQLKTLSA-N 0 1 210.233 0.663 20 5 BCBDMN C[C@@H]1CSC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761540 585339183 /nfs/dbraw/zinc/33/91/83/585339183.db2.gz IUOXXUXWNPIHBB-OOJXKGFFSA-N 0 1 230.289 0.519 20 5 BCBDMN CC(C)[C@@H](CO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839764532 585339198 /nfs/dbraw/zinc/33/91/98/585339198.db2.gz DFJZNHQWKITLEE-IWSPIJDZSA-N 0 1 230.264 0.032 20 5 BCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839753836 585340283 /nfs/dbraw/zinc/34/02/83/585340283.db2.gz IMWZGNTYKSNIJD-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN CO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839758118 585340618 /nfs/dbraw/zinc/34/06/18/585340618.db2.gz QGSPHDJYMKHFKH-UTINFBMNSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C(NCCCCF)[C@@H]1CC1[N+](=O)[O-] ZINC000839775532 585341139 /nfs/dbraw/zinc/34/11/39/585341139.db2.gz VTKMTXBIFSUMOF-RNFRBKRXSA-N 0 1 204.201 0.518 20 5 BCBDMN O=C(N[C@H](CO)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775010 585341174 /nfs/dbraw/zinc/34/11/74/585341174.db2.gz QMZPDEYUZGTHAZ-OPRDCNLKSA-N 0 1 242.275 0.319 20 5 BCBDMN COC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000839777895 585341370 /nfs/dbraw/zinc/34/13/70/585341370.db2.gz GGBMPJHANUOIEP-RKDXNWHRSA-N 0 1 242.275 0.727 20 5 BCBDMN CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000839781865 585341597 /nfs/dbraw/zinc/34/15/97/585341597.db2.gz AVSMMIPEWZCXEI-SGIHWFKDSA-N 0 1 242.275 0.535 20 5 BCBDMN CC(C)[C@@H]1CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781840 585341647 /nfs/dbraw/zinc/34/16/47/585341647.db2.gz BEMGXHQDYLUWNS-HRDYMLBCSA-N 0 1 212.249 0.909 20 5 BCBDMN CC[C@@H](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839781421 585341713 /nfs/dbraw/zinc/34/17/13/585341713.db2.gz OYAONVWMTPEZTO-ZYUZMQFOSA-N 0 1 244.291 0.829 20 5 BCBDMN CO[C@H]([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839786452 585341994 /nfs/dbraw/zinc/34/19/94/585341994.db2.gz DGYXONLZEDVXJK-JZKKDOLYSA-N 0 1 242.275 0.581 20 5 BCBDMN CC(C)(O)C(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839790689 585346444 /nfs/dbraw/zinc/34/64/44/585346444.db2.gz VKELOPYIYJHZSB-HTQZYQBOSA-N 0 1 244.291 0.565 20 5 BCBDMN O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839797240 585464925 /nfs/dbraw/zinc/46/49/25/585464925.db2.gz MLVWIJUVQKGNRV-JDDHQFAOSA-N 0 1 224.260 0.956 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000839799434 585522498 /nfs/dbraw/zinc/52/24/98/585522498.db2.gz VBTXHDXFEXXPRL-RULNZFCNSA-N 0 1 228.273 0.368 20 5 BCBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nn1 ZINC000789932213 585954079 /nfs/dbraw/zinc/95/40/79/585954079.db2.gz UMVHSRBFZNPFAP-UHFFFAOYSA-N 0 1 248.202 0.547 20 5 BCBDMN CCC1(CO)CCN(CC[N+](=O)[O-])CC1 ZINC000791053859 585973203 /nfs/dbraw/zinc/97/32/03/585973203.db2.gz IHKKQWUIXYRVRQ-UHFFFAOYSA-N 0 1 216.281 0.748 20 5 BCBDMN O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1CCO ZINC000798195444 586139768 /nfs/dbraw/zinc/13/97/68/586139768.db2.gz NNORNQFBSRQLAO-SECBINFHSA-N 0 1 202.254 0.500 20 5 BCBDMN COC1([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839878025 586168595 /nfs/dbraw/zinc/16/85/95/586168595.db2.gz SLXCJMRYGDBGOY-DJLDLDEBSA-N 0 1 242.275 0.725 20 5 BCBDMN O=C(NOCCC1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000817379563 586799567 /nfs/dbraw/zinc/79/95/67/586799567.db2.gz SIHMILMGQMSRKA-UHFFFAOYSA-N 0 1 240.219 0.779 20 5 BCBDMN CC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000817474378 586807131 /nfs/dbraw/zinc/80/71/31/586807131.db2.gz RCEMNEOGAIZIOS-AXTSPUMRSA-N 0 1 242.275 0.725 20 5 BCBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840363561 586900174 /nfs/dbraw/zinc/90/01/74/586900174.db2.gz WPMDSWQLRMYEAD-HTQZYQBOSA-N 0 1 212.249 0.956 20 5 BCBDMN CC[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840441509 587103843 /nfs/dbraw/zinc/10/38/43/587103843.db2.gz WGUFLCODDFSRPY-NQMVMOMDSA-N 0 1 228.248 0.337 20 5 BCBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1F ZINC000822150756 587157115 /nfs/dbraw/zinc/15/71/15/587157115.db2.gz PCZCJINWRICYRJ-JAGXHNFQSA-N 0 1 217.196 0.943 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCS1 ZINC000829873321 587526827 /nfs/dbraw/zinc/52/68/27/587526827.db2.gz ZEKJILVGSYOPTP-BWZBUEFSSA-N 0 1 230.289 0.616 20 5 BCBDMN CC[C@H](C[C@H](C)O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831327167 587598696 /nfs/dbraw/zinc/59/86/96/587598696.db2.gz SJNHTUNEKYDRET-JQCXWYLXSA-N 0 1 230.264 0.317 20 5 BCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCO1 ZINC000832457662 587661204 /nfs/dbraw/zinc/66/12/04/587661204.db2.gz TYFIXQJMOQTITG-KKZNHRDASA-N 0 1 242.275 0.727 20 5 BCBDMN O=C(O[C@@H]1CCCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672496 587915480 /nfs/dbraw/zinc/91/54/80/587915480.db2.gz RRWHZIPOFGDWSW-ZXFLCMHBSA-N 0 1 227.216 0.707 20 5 BCBDMN CCCOC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671228 587915530 /nfs/dbraw/zinc/91/55/30/587915530.db2.gz QSTVHCFCVSJFPE-XLPZGREQSA-N 0 1 245.231 0.537 20 5 BCBDMN CCC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671432 587915756 /nfs/dbraw/zinc/91/57/56/587915756.db2.gz URPZKDJASFCEON-RNFRBKRXSA-N 0 1 201.178 0.174 20 5 BCBDMN CC(C)CC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671229 587915813 /nfs/dbraw/zinc/91/58/13/587915813.db2.gz QUBBHOMUGIEGCQ-RKDXNWHRSA-N 0 1 229.232 0.810 20 5 BCBDMN O=C(OC[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672206 587915873 /nfs/dbraw/zinc/91/58/73/587915873.db2.gz GNPVVXISXQPTPH-BWZBUEFSSA-N 0 1 215.205 0.374 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840670250 587915929 /nfs/dbraw/zinc/91/59/29/587915929.db2.gz DRJZGSOGLALPAJ-RNFRBKRXSA-N 0 1 213.189 0.174 20 5 BCBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)n1 ZINC000841166172 587948011 /nfs/dbraw/zinc/94/80/11/587948011.db2.gz MVXGKTORLQROMD-RKDXNWHRSA-N 0 1 239.231 0.437 20 5 BCBDMN O=C(OCc1ccncc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000841251950 587949925 /nfs/dbraw/zinc/94/99/25/587949925.db2.gz ZOTWLCBNIOMXMM-VXNVDRBHSA-N 0 1 240.190 0.929 20 5 BCBDMN O=C(OC1([C@@H]2CCOC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842306548 588015630 /nfs/dbraw/zinc/01/56/30/588015630.db2.gz IWPNINAYQHMKLQ-IWSPIJDZSA-N 0 1 241.243 0.764 20 5 BCBDMN O=C(OCCc1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842302340 588015754 /nfs/dbraw/zinc/01/57/54/588015754.db2.gz QTDAIRDOWASQDS-NXEZZACHSA-N 0 1 236.227 0.833 20 5 BCBDMN O=C(OC[C@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842320747 588017422 /nfs/dbraw/zinc/01/74/22/588017422.db2.gz ISKZFZHMBKONRZ-BWZBUEFSSA-N 0 1 231.273 0.948 20 5 BCBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000842367290 588021781 /nfs/dbraw/zinc/02/17/81/588021781.db2.gz HCCITGHRTIBEFA-HLTSFMKQSA-N 0 1 231.248 0.866 20 5 BCBDMN CO[C@@H]1CCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842380616 588022901 /nfs/dbraw/zinc/02/29/01/588022901.db2.gz LCMISPVIMATVCB-FNCVBFRFSA-N 0 1 229.232 0.762 20 5 BCBDMN CCn1ncc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000842380032 588022991 /nfs/dbraw/zinc/02/29/91/588022991.db2.gz QVEUHBIDMTVEFG-HTQZYQBOSA-N 0 1 240.219 0.006 20 5 BCBDMN CCO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000847924890 588344178 /nfs/dbraw/zinc/34/41/78/588344178.db2.gz NVZZIALWNHKHEF-FNCVBFRFSA-N 0 1 229.232 0.762 20 5 BCBDMN COC(=O)C1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000860947311 589136378 /nfs/dbraw/zinc/13/63/78/589136378.db2.gz WZCSEELUCFZQHK-DWYQZRHDSA-N 0 1 243.215 0.146 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](CCF)C1 ZINC000863071092 589254135 /nfs/dbraw/zinc/25/41/35/589254135.db2.gz GGDWDMVKQSTCCR-DJLDLDEBSA-N 0 1 246.238 0.239 20 5 BCBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)=O ZINC000873402554 590038853 /nfs/dbraw/zinc/03/88/53/590038853.db2.gz SGLVFZZRFHSWLE-PRJMDXOYSA-N 0 1 215.205 0.562 20 5 BCBDMN Cn1cc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])n1 ZINC000878419885 590564010 /nfs/dbraw/zinc/56/40/10/590564010.db2.gz JZSHGLKXFVTRMO-VIFPVBQESA-N 0 1 240.263 0.189 20 5 BCBDMN CO[C@@H]1CC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889326020 591097806 /nfs/dbraw/zinc/09/78/06/591097806.db2.gz VGTQRFJUXRJBAD-FNCVBFRFSA-N 0 1 228.248 0.287 20 5 BCBDMN Cc1c[nH]nc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000884550724 591976023 /nfs/dbraw/zinc/97/60/23/591976023.db2.gz KIWAODWVTZXGDH-HTRCEHHLSA-N 0 1 225.204 0.427 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cncs1 ZINC000889508261 592615360 /nfs/dbraw/zinc/61/53/60/592615360.db2.gz HMTQPPRCXIIRLP-FSDSQADBSA-N 0 1 241.272 0.986 20 5 BCBDMN O=[N+]([O-])CCNC1([C@@H]2CCCCO2)CC1 ZINC000933369038 631331033 /nfs/dbraw/zinc/33/10/33/631331033.db2.gz IBSGBOKSQPRDMN-VIFPVBQESA-N 0 1 214.265 0.954 20 5 BCBDMN COC(=O)CC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931620311 635127756 /nfs/dbraw/zinc/12/77/56/635127756.db2.gz QEMJEHBVJSOBQO-JTQLQIEISA-N 0 1 244.291 0.928 20 5 BCBDMN O=[N+]([O-])CCN[C@H]1COc2ccccc2C1 ZINC000905046829 637564519 /nfs/dbraw/zinc/56/45/19/637564519.db2.gz CBROOFGVXDFDNJ-SNVBAGLBSA-N 0 1 222.244 0.856 20 5 BCBDMN CC(C)CCOCCNCC[N+](=O)[O-] ZINC000905065628 637598902 /nfs/dbraw/zinc/59/89/02/637598902.db2.gz JBJHYLCCYIJFHN-UHFFFAOYSA-N 0 1 204.270 0.915 20 5 BCBDMN CCO[C@@H]1C[C@H](NCC[N+](=O)[O-])[C@@]12CCCO2 ZINC000905211296 637697392 /nfs/dbraw/zinc/69/73/92/637697392.db2.gz CEZSTSDNQLNBFT-AXFHLTTASA-N 0 1 244.291 0.579 20 5 BCBDMN CC(C)(C)[C@@H](O)C[C@@H](CO)NCC[N+](=O)[O-] ZINC000905368015 637789467 /nfs/dbraw/zinc/78/94/67/637789467.db2.gz XMXUNDWNMUXDCU-IUCAKERBSA-N 0 1 234.296 0.011 20 5 BCBDMN C[C@@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905345090 637767707 /nfs/dbraw/zinc/76/77/07/637767707.db2.gz LFUPJXZBIPTYDA-KOLCDFICSA-N 0 1 224.260 0.975 20 5 BCBDMN C[C@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 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583583007 /nfs/dbraw/zinc/58/30/07/583583007.db2.gz PDPSCTZGRSZWQL-BWZBUEFSSA-N 0 1 216.212 0.470 20 5 BCBDMN O=C(N[C@@H]1CCn2cncc21)[C@@H]1CC1[N+](=O)[O-] ZINC000857977705 588926581 /nfs/dbraw/zinc/92/65/81/588926581.db2.gz YBXWOVHJJVSGJY-BWZBUEFSSA-N 0 1 236.231 0.109 20 5 BCBDMN CC(C)CN1CCO[C@H](C[NH2+]CC[N+](=O)[O-])C1 ZINC000899875785 584245231 /nfs/dbraw/zinc/24/52/31/584245231.db2.gz IJBGTJCXSMVSLV-LLVKDONJSA-N 0 1 245.323 0.210 20 5 BCBDMN O=C([O-])[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819286517 585001293 /nfs/dbraw/zinc/00/12/93/585001293.db2.gz AAEJRAZYFOEXTP-SSDOTTSWSA-N 0 1 240.219 0.155 20 5 BCBDMN O=C([O-])[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819286517 585001294 /nfs/dbraw/zinc/00/12/94/585001294.db2.gz AAEJRAZYFOEXTP-SSDOTTSWSA-N 0 1 240.219 0.155 20 5 BCBDMN CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839573506 585330778 /nfs/dbraw/zinc/33/07/78/585330778.db2.gz YYIIFUGLRYKSSU-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN 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20 5 BCBDMN CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839668017 585334750 /nfs/dbraw/zinc/33/47/50/585334750.db2.gz VWFKCKNIPFPGFD-IVZWLZJFSA-N 0 1 242.275 0.537 20 5 BCBDMN O=C(N[C@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684924 585335060 /nfs/dbraw/zinc/33/50/60/585335060.db2.gz CXHWIQUDHAGLSE-DJLDLDEBSA-N 0 1 210.233 0.877 20 5 BCBDMN CCCC[C@H](COC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685752 585335157 /nfs/dbraw/zinc/33/51/57/585335157.db2.gz HWAILWCZNDKCSD-OPRDCNLKSA-N 0 1 244.291 0.973 20 5 BCBDMN CC[C@H](C)[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689073 585335394 /nfs/dbraw/zinc/33/53/94/585335394.db2.gz ZRQPDOZOKSUCAO-YSSBGUOXSA-N 0 1 244.291 0.565 20 5 BCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC000839699285 585335552 /nfs/dbraw/zinc/33/55/52/585335552.db2.gz FRDQPYARJNDNBO-FBIMIBRVSA-N 0 1 249.270 0.967 20 5 BCBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839699328 585335735 /nfs/dbraw/zinc/33/57/35/585335735.db2.gz GFWMQHGGATZHDU-HTQZYQBOSA-N 0 1 212.249 0.958 20 5 BCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839702307 585335809 /nfs/dbraw/zinc/33/58/09/585335809.db2.gz WWLOGWPOPZMHMX-NQMVMOMDSA-N 0 1 228.248 0.337 20 5 BCBDMN CCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839700325 585335837 /nfs/dbraw/zinc/33/58/37/585335837.db2.gz JVVOTSJPXZNRKH-HTQZYQBOSA-N 0 1 212.249 0.958 20 5 BCBDMN C[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701231 585335869 /nfs/dbraw/zinc/33/58/69/585335869.db2.gz NPDIXSSOVKJIOX-JMJZKYOTSA-N 0 1 249.270 0.794 20 5 BCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000839681384 585336984 /nfs/dbraw/zinc/33/69/84/585336984.db2.gz OAQMPODCSAWHFX-MRTMQBJTSA-N 0 1 228.248 0.194 20 5 BCBDMN CC1(C)CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000839732584 585337193 /nfs/dbraw/zinc/33/71/93/585337193.db2.gz YLNYCWSOPISBFR-IWSPIJDZSA-N 0 1 242.275 0.725 20 5 BCBDMN CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704110 585337351 /nfs/dbraw/zinc/33/73/51/585337351.db2.gz NMFSLCRYTZUDKX-XLPZGREQSA-N 0 1 244.247 0.110 20 5 BCBDMN CO[C@H](C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734086 585337371 /nfs/dbraw/zinc/33/73/71/585337371.db2.gz OLFWFSONQNKUNP-LXGUWJNJSA-N 0 1 216.237 0.191 20 5 BCBDMN C[C@H]1CSCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839737632 585337494 /nfs/dbraw/zinc/33/74/94/585337494.db2.gz ZLBCBSXFNNZUGR-IWSPIJDZSA-N 0 1 244.316 0.863 20 5 BCBDMN CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704108 585337588 /nfs/dbraw/zinc/33/75/88/585337588.db2.gz NMFSLCRYTZUDKX-BWZBUEFSSA-N 0 1 244.247 0.110 20 5 BCBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839709984 585337664 /nfs/dbraw/zinc/33/76/64/585337664.db2.gz KUYKBCRUCIXMAS-HRDYMLBCSA-N 0 1 228.248 0.193 20 5 BCBDMN C[C@@H]1OCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839705582 585337701 /nfs/dbraw/zinc/33/77/01/585337701.db2.gz LHECCFGHHOBRJM-RBXMUDONSA-N 0 1 228.248 0.287 20 5 BCBDMN CC[C@@H](C)N(OC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706547 585337766 /nfs/dbraw/zinc/33/77/66/585337766.db2.gz NYNAYMRZNQCWAS-BWZBUEFSSA-N 0 1 216.237 0.840 20 5 BCBDMN C[C@H]1COCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711162 585338023 /nfs/dbraw/zinc/33/80/23/585338023.db2.gz ZOZPUJGUFSWGLU-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000839715945 585338221 /nfs/dbraw/zinc/33/82/21/585338221.db2.gz XXQIGEJNZRNUMQ-BWZBUEFSSA-N 0 1 230.289 0.616 20 5 BCBDMN C[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839719533 585338396 /nfs/dbraw/zinc/33/83/96/585338396.db2.gz ZXMWJWXSSKHMRU-SGIHWFKDSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@H]1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839716430 585338419 /nfs/dbraw/zinc/33/84/19/585338419.db2.gz BWLMMDSHOIITRZ-AKEJEFCPSA-N 0 1 242.275 0.724 20 5 BCBDMN CCCCN(CCCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719463 585338493 /nfs/dbraw/zinc/33/84/93/585338493.db2.gz REZHUIFIKPERLJ-NXEZZACHSA-N 0 1 244.291 0.663 20 5 BCBDMN CC(C)C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718242 585338507 /nfs/dbraw/zinc/33/85/07/585338507.db2.gz NYCMDRLSFSBSLW-DJLDLDEBSA-N 0 1 230.264 0.175 20 5 BCBDMN CC(C)(C)C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726165 585338697 /nfs/dbraw/zinc/33/86/97/585338697.db2.gz VFDUFULBYNZMFZ-IWSPIJDZSA-N 0 1 244.291 0.565 20 5 BCBDMN C/C=C\C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729037 585338960 /nfs/dbraw/zinc/33/89/60/585338960.db2.gz VAYQRZZVUMUWAG-FUXQNIRESA-N 0 1 228.248 0.095 20 5 BCBDMN O=C(NC[C@@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748485 585340379 /nfs/dbraw/zinc/34/03/79/585340379.db2.gz KFPZMLFBIYJVDK-XLPZGREQSA-N 0 1 230.289 0.521 20 5 BCBDMN CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)C1 ZINC000839758119 585340639 /nfs/dbraw/zinc/34/06/39/585340639.db2.gz QGSPHDJYMKHFKH-ZYUZMQFOSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000839784749 585341904 /nfs/dbraw/zinc/34/19/04/585341904.db2.gz ZUWDYAJJZOYWSE-HRDYMLBCSA-N 0 1 210.233 0.663 20 5 BCBDMN CO[C@@H]([C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839786455 585341955 /nfs/dbraw/zinc/34/19/55/585341955.db2.gz DGYXONLZEDVXJK-ZQNVIIHSSA-N 0 1 242.275 0.581 20 5 BCBDMN CO[C@@H]([C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839786454 585342086 /nfs/dbraw/zinc/34/20/86/585342086.db2.gz DGYXONLZEDVXJK-QQRDMOCMSA-N 0 1 242.275 0.581 20 5 BCBDMN C[C@@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000839793399 585418962 /nfs/dbraw/zinc/41/89/62/585418962.db2.gz QLXQZQITJKMQPI-BZNPZCIMSA-N 0 1 228.248 0.335 20 5 BCBDMN CCC(C)(C)OCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839794234 585429337 /nfs/dbraw/zinc/42/93/37/585429337.db2.gz USZNFWOJOLYVST-RKDXNWHRSA-N 0 1 244.291 0.973 20 5 BCBDMN COCC[C@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839812211 585919699 /nfs/dbraw/zinc/91/96/99/585919699.db2.gz XNOHAICEFQDIEE-DJLDLDEBSA-N 0 1 230.264 0.440 20 5 BCBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]nn1 ZINC000789925815 585953338 /nfs/dbraw/zinc/95/33/38/585953338.db2.gz JMETWIPLCISNJJ-UHFFFAOYSA-N 0 1 247.214 0.894 20 5 BCBDMN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)O1 ZINC000839843697 586135911 /nfs/dbraw/zinc/13/59/11/586135911.db2.gz CSKIFMKQJHTFRD-HOTMZDKISA-N 0 1 242.275 0.581 20 5 BCBDMN O=C(OCc1ccnc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000859719789 589056765 /nfs/dbraw/zinc/05/67/65/589056765.db2.gz DBVHNTCVOZVEHU-HTQZYQBOSA-N 0 1 240.190 0.929 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1CCO ZINC000840259216 586579386 /nfs/dbraw/zinc/57/93/86/586579386.db2.gz JQDUSNVEUSGFPC-IVZWLZJFSA-N 0 1 242.275 0.415 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1CCO ZINC000840259220 586579391 /nfs/dbraw/zinc/57/93/91/586579391.db2.gz JQDUSNVEUSGFPC-OPRDCNLKSA-N 0 1 242.275 0.415 20 5 BCBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)[N+](=O)[O-] ZINC000813106305 586592706 /nfs/dbraw/zinc/59/27/06/586592706.db2.gz AHMCKRMZOKYZAT-YFKPBYRVSA-N 0 1 243.175 0.745 20 5 BCBDMN O=C(Nc1ccc(O)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840396659 586990166 /nfs/dbraw/zinc/99/01/66/586990166.db2.gz ZPUOXACJUSBUDV-RKDXNWHRSA-N 0 1 222.200 0.996 20 5 BCBDMN CCC(CC)(CCO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840444091 587103885 /nfs/dbraw/zinc/10/38/85/587103885.db2.gz BGRWYHKMTJKKOM-RKDXNWHRSA-N 0 1 244.291 0.709 20 5 BCBDMN CC1(C)C[C@H](O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000827663424 587395107 /nfs/dbraw/zinc/39/51/07/587395107.db2.gz IXARESPQIQNSDI-DJLDLDEBSA-N 0 1 242.275 0.271 20 5 BCBDMN CC(C)(C)OC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000830513357 587554878 /nfs/dbraw/zinc/55/48/78/587554878.db2.gz NOEGCULZDAAMED-RKDXNWHRSA-N 0 1 242.275 0.678 20 5 BCBDMN COC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840671948 587915907 /nfs/dbraw/zinc/91/59/07/587915907.db2.gz AHYKIOVCBWVKDJ-BWZBUEFSSA-N 0 1 245.231 0.392 20 5 BCBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840673304 587916306 /nfs/dbraw/zinc/91/63/06/587916306.db2.gz YHGNQUCZAUXRQB-QYNIQEEDSA-N 0 1 231.204 0.146 20 5 BCBDMN COC(=O)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840673397 587916356 /nfs/dbraw/zinc/91/63/56/587916356.db2.gz NQVIODNEHDFMCV-BWZBUEFSSA-N 0 1 243.215 0.146 20 5 BCBDMN CC[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842105028 588000131 /nfs/dbraw/zinc/00/01/31/588000131.db2.gz ZCOUMJDOLJZFJB-XLPZGREQSA-N 0 1 217.221 0.620 20 5 BCBDMN COC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842325116 588017895 /nfs/dbraw/zinc/01/78/95/588017895.db2.gz SGSOOIMKBKRUGL-HLTSFMKQSA-N 0 1 229.232 0.620 20 5 BCBDMN COC(=O)C[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842334852 588018684 /nfs/dbraw/zinc/01/86/84/588018684.db2.gz DGVQKSRSYLKMQV-FSDSQADBSA-N 0 1 231.204 0.146 20 5 BCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC000842343206 588019933 /nfs/dbraw/zinc/01/99/33/588019933.db2.gz LIHLPOYMSHCJSQ-UOWFLXDJSA-N 0 1 209.148 0.848 20 5 BCBDMN CCO[C@H]1C[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349891 588020422 /nfs/dbraw/zinc/02/04/22/588020422.db2.gz QEAKONCZOFDOGX-KDXUFGMBSA-N 0 1 229.232 0.620 20 5 BCBDMN O=C(OC[C@]1(F)CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842361966 588021485 /nfs/dbraw/zinc/02/14/85/588021485.db2.gz OTYBDBCXXZSIDJ-BHNWBGBOSA-N 0 1 233.195 0.323 20 5 BCBDMN C[C@H]1SCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843741146 588135657 /nfs/dbraw/zinc/13/56/57/588135657.db2.gz BZXWVUARRXFAEV-OOJXKGFFSA-N 0 1 230.289 0.662 20 5 BCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CO1 ZINC000844832349 588217918 /nfs/dbraw/zinc/21/79/18/588217918.db2.gz ZPHMMSDSTAYBJO-AXTSPUMRSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](F)C1 ZINC000846628566 588279794 /nfs/dbraw/zinc/27/97/94/588279794.db2.gz AKRSKWSOCAJNOF-XLPZGREQSA-N 0 1 216.212 0.612 20 5 BCBDMN CCn1ccnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848174684 588365052 /nfs/dbraw/zinc/36/50/52/588365052.db2.gz SDZCWZAKVKZNLM-HTQZYQBOSA-N 0 1 238.247 0.184 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncc[nH]1 ZINC000848387335 588375686 /nfs/dbraw/zinc/37/56/86/588375686.db2.gz QTIJEBUOQHXDFX-FSDSQADBSA-N 0 1 224.220 0.252 20 5 BCBDMN CC(C)(COC(=O)CCc1nc[nH]n1)[N+](=O)[O-] ZINC000851126458 588592579 /nfs/dbraw/zinc/59/25/79/588592579.db2.gz PGWDUFYGBKBFCK-UHFFFAOYSA-N 0 1 242.235 0.336 20 5 BCBDMN Cc1ncccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862949836 589248216 /nfs/dbraw/zinc/24/82/16/589248216.db2.gz XRCYXOSILUAEOT-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000863058274 589253203 /nfs/dbraw/zinc/25/32/03/589253203.db2.gz NNMOIDGPEFODEH-RKDXNWHRSA-N 0 1 240.259 0.527 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H](CCF)C1 ZINC000863071093 589253928 /nfs/dbraw/zinc/25/39/28/589253928.db2.gz GGDWDMVKQSTCCR-IWSPIJDZSA-N 0 1 246.238 0.239 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccns1 ZINC000863616078 589304889 /nfs/dbraw/zinc/30/48/89/589304889.db2.gz 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CC[C@](C)(O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120821580 386954581 /nfs/dbraw/zinc/95/45/81/386954581.db2.gz SMGRIKNWAYNPRK-VIFPVBQESA-N 0 1 242.235 0.209 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2COC[C@H]21 ZINC000368519914 387373872 /nfs/dbraw/zinc/37/38/72/387373872.db2.gz RQXFTHQNQDYVPM-QCLAVDOMSA-N 0 1 240.259 0.289 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCOCC12CCC2 ZINC000370909730 387912051 /nfs/dbraw/zinc/91/20/51/387912051.db2.gz UYNPILUHFVNPIE-DTWKUNHWSA-N 0 1 240.259 0.433 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC12CCC2 ZINC000370909729 387912642 /nfs/dbraw/zinc/91/26/42/387912642.db2.gz UYNPILUHFVNPIE-BDAKNGLRSA-N 0 1 240.259 0.433 20 5 BCBDMN C[C@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000373419889 388257035 /nfs/dbraw/zinc/25/70/35/388257035.db2.gz XCEUGGCKDRKANU-YWVKMMECSA-N 0 1 242.275 0.415 20 5 BCBDMN CCO[C@H]1C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000555972720 388345555 /nfs/dbraw/zinc/34/55/55/388345555.db2.gz LVDZLQSMYRHDMM-VDTYLAMSSA-N 0 1 240.219 0.225 20 5 BCBDMN C[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272611948 388478431 /nfs/dbraw/zinc/47/84/31/388478431.db2.gz SJWJKWRUPXSDOP-ZCFIWIBFSA-N 0 1 240.215 0.411 20 5 BCBDMN CC[C@](C)(CO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000272792888 388514281 /nfs/dbraw/zinc/51/42/81/388514281.db2.gz JXUSZLIZASTBIJ-SECBINFHSA-N 0 1 242.235 0.209 20 5 BCBDMN CN(C)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000301882671 388695868 /nfs/dbraw/zinc/69/58/68/388695868.db2.gz IUFCLBCQGRTVBR-UHFFFAOYSA-N 0 1 222.248 0.740 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CCO2)CC1 ZINC000374473427 388715128 /nfs/dbraw/zinc/71/51/28/388715128.db2.gz WRESHPZSKCMKTA-BDAKNGLRSA-N 0 1 240.259 0.433 20 5 BCBDMN Cn1cnc([N+](=O)[O-])c1NCCc1nc[nH]n1 ZINC000080589773 135383293 /nfs/dbraw/zinc/38/32/93/135383293.db2.gz HYDBEUQYPGPZNI-UHFFFAOYSA-N 0 1 237.223 0.101 20 5 BCBDMN C[C@H](F)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356639046 411496869 /nfs/dbraw/zinc/49/68/69/411496869.db2.gz BOBMAQMYBLGTHN-YFKPBYRVSA-N 0 1 230.199 0.796 20 5 BCBDMN CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000095091596 170137978 /nfs/dbraw/zinc/13/79/78/170137978.db2.gz ARWKBFVFBQQJPU-UHFFFAOYSA-N 0 1 231.233 0.288 20 5 BCBDMN Cc1cc([N+](=O)[O-])cnc1NCCN1CCC1 ZINC000356745077 411661742 /nfs/dbraw/zinc/66/17/42/411661742.db2.gz PCVIAGAIIDEYHX-UHFFFAOYSA-N 0 1 236.275 1.416 20 5 BCBDMN COC1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000331574067 174035032 /nfs/dbraw/zinc/03/50/32/174035032.db2.gz RYTHJGWBZVZTMQ-UHFFFAOYSA-N 0 1 240.219 0.097 20 5 BCBDMN O=[N+]([O-])c1ccccc1CNC(CO)CO ZINC000083692033 325573898 /nfs/dbraw/zinc/57/38/98/325573898.db2.gz JBVUDNRFPIMVAS-UHFFFAOYSA-N 0 1 226.232 0.038 20 5 BCBDMN CC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000158824509 488183509 /nfs/dbraw/zinc/18/35/09/488183509.db2.gz TVBPVSBQPKTLFA-RXMQYKEDSA-N 0 1 212.209 0.846 20 5 BCBDMN CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176188682 536412964 /nfs/dbraw/zinc/41/29/64/536412964.db2.gz LRZVVWLTDPLIQA-UHFFFAOYSA-N 0 1 239.279 0.039 20 5 BCBDMN CC(C)[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])N(C)C ZINC000813102234 582580147 /nfs/dbraw/zinc/58/01/47/582580147.db2.gz CGFNAUUPVMHAHT-DTWKUNHWSA-N 0 1 232.280 0.781 20 5 BCBDMN O=C(N[C@@H]1COC[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000891035318 582598705 /nfs/dbraw/zinc/59/87/05/582598705.db2.gz ASEJLCIEOQTGTO-UTINFBMNSA-N 0 1 240.259 0.193 20 5 BCBDMN O=C(NCC1SCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000856159869 588863123 /nfs/dbraw/zinc/86/31/23/588863123.db2.gz XALKLWVPZAOEQJ-PHDIDXHHSA-N 0 1 248.329 0.574 20 5 BCBDMN CN(CC1=CCSC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856367501 588870450 /nfs/dbraw/zinc/87/04/50/588870450.db2.gz YCJNFCOKIXOPFT-RKDXNWHRSA-N 0 1 242.300 0.783 20 5 BCBDMN CCn1nccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856479965 588873509 /nfs/dbraw/zinc/87/35/09/588873509.db2.gz VARUEWZZVWOLIT-RKDXNWHRSA-N 0 1 238.247 0.184 20 5 BCBDMN O=[N+]([O-])c1cnn(CCNCc2cnccn2)c1 ZINC000856773692 588877077 /nfs/dbraw/zinc/87/70/77/588877077.db2.gz PZQHZJFSNIGDTK-UHFFFAOYSA-N 0 1 248.246 0.371 20 5 BCBDMN CC(=O)NC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000893445257 583145037 /nfs/dbraw/zinc/14/50/37/583145037.db2.gz ZSPWOOGBIKXQRY-HTQZYQBOSA-N 0 1 244.247 0.110 20 5 BCBDMN O=C(OCc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672245 583410821 /nfs/dbraw/zinc/41/08/21/583410821.db2.gz FPEQITBERNTFBZ-RKDXNWHRSA-N 0 1 222.200 0.790 20 5 BCBDMN CN(C)C(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672490 583413552 /nfs/dbraw/zinc/41/35/52/583413552.db2.gz ABFQPJXZNPJVIW-HTQZYQBOSA-N 0 1 244.247 0.063 20 5 BCBDMN CC(C)COCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673306 583422648 /nfs/dbraw/zinc/42/26/48/583422648.db2.gz JPHQZDZGLBSUPR-RKDXNWHRSA-N 0 1 231.248 0.867 20 5 BCBDMN C[C@@H]1CC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000840673348 583422870 /nfs/dbraw/zinc/42/28/70/583422870.db2.gz LMIANLGRLLDRNX-FNCVBFRFSA-N 0 1 229.232 0.762 20 5 BCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C1CC1 ZINC000840673343 583423011 /nfs/dbraw/zinc/42/30/11/583423011.db2.gz LEYNXLGWNIHCMA-LPBLVHEISA-N 0 1 227.216 0.562 20 5 BCBDMN CCN1CC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000895161649 583610436 /nfs/dbraw/zinc/61/04/36/583610436.db2.gz SOXKXRLFXWGGOT-QMMMGPOBSA-N 0 1 239.279 0.834 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)COc1ccccc1 ZINC000899871602 584244232 /nfs/dbraw/zinc/24/42/32/584244232.db2.gz SRGNNHOZUNGPBE-SNVBAGLBSA-N 0 1 240.259 0.293 20 5 BCBDMN COc1ccccc1[C@@H](O)CNCC[N+](=O)[O-] ZINC000899870732 584244253 /nfs/dbraw/zinc/24/42/53/584244253.db2.gz OMHBWOVOLUNGTM-JTQLQIEISA-N 0 1 240.259 0.595 20 5 BCBDMN O=[N+]([O-])CCNC[C@H](O)COc1ccccc1 ZINC000899871600 584244758 /nfs/dbraw/zinc/24/47/58/584244758.db2.gz SRGNNHOZUNGPBE-JTQLQIEISA-N 0 1 240.259 0.293 20 5 BCBDMN O=C([O-])[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819286521 585001226 /nfs/dbraw/zinc/00/12/26/585001226.db2.gz AAEJRAZYFOEXTP-ZETCQYMHSA-N 0 1 240.219 0.155 20 5 BCBDMN O=C([O-])[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819286521 585001227 /nfs/dbraw/zinc/00/12/27/585001227.db2.gz AAEJRAZYFOEXTP-ZETCQYMHSA-N 0 1 240.219 0.155 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839458981 585104889 /nfs/dbraw/zinc/10/48/89/585104889.db2.gz ZGDHKWFIKJSBMY-BZNPZCIMSA-N 0 1 228.248 0.287 20 5 BCBDMN CN(CCc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839474546 585105078 /nfs/dbraw/zinc/10/50/78/585105078.db2.gz RBDBVCYISGZDCU-GHMZBOCLSA-N 0 1 249.270 0.748 20 5 BCBDMN CCOC(=O)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839496254 585105105 /nfs/dbraw/zinc/10/51/05/585105105.db2.gz GRAWQZUZNBSCOC-HTQZYQBOSA-N 0 1 244.247 0.111 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000839477341 585105210 /nfs/dbraw/zinc/10/52/10/585105210.db2.gz RZKUQUIMQXHQEL-QXFUBDJGSA-N 0 1 235.243 0.924 20 5 BCBDMN C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839524379 585105738 /nfs/dbraw/zinc/10/57/38/585105738.db2.gz HHQRSQMRXSYOAP-FTLITQJKSA-N 0 1 212.249 0.909 20 5 BCBDMN O=C(NCCOC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839550142 585330308 /nfs/dbraw/zinc/33/03/08/585330308.db2.gz ANOVFIFCIXAOLZ-NXEZZACHSA-N 0 1 242.275 0.727 20 5 BCBDMN CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839570936 585330538 /nfs/dbraw/zinc/33/05/38/585330538.db2.gz LJNGRCJJCGXDIE-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839573504 585330673 /nfs/dbraw/zinc/33/06/73/585330673.db2.gz YYIIFUGLRYKSSU-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN CCO[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839576055 585330723 /nfs/dbraw/zinc/33/07/23/585330723.db2.gz LKRJWORBPYLUEU-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN O=C(NCCc1ccncc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839558403 585331041 /nfs/dbraw/zinc/33/10/41/585331041.db2.gz ATSAYSYJOCPXRB-NXEZZACHSA-N 0 1 235.243 0.406 20 5 BCBDMN Cc1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000839648399 585333319 /nfs/dbraw/zinc/33/33/19/585333319.db2.gz NULRSMWZNCDZOM-HTQZYQBOSA-N 0 1 222.204 0.389 20 5 BCBDMN C[C@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688386 585335192 /nfs/dbraw/zinc/33/51/92/585335192.db2.gz QMUMRIDPQFXIGE-XLPZGREQSA-N 0 1 230.289 0.616 20 5 BCBDMN CSCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686804 585335206 /nfs/dbraw/zinc/33/52/06/585335206.db2.gz VOPLQUSHIAIACV-HTQZYQBOSA-N 0 1 232.305 0.911 20 5 BCBDMN C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688860 585335302 /nfs/dbraw/zinc/33/53/02/585335302.db2.gz HXFKOJNRBGESLK-DJLDLDEBSA-N 0 1 244.291 0.565 20 5 BCBDMN CSCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686830 585335407 /nfs/dbraw/zinc/33/54/07/585335407.db2.gz VZMXWWAGOPHRCR-XLPZGREQSA-N 0 1 232.305 0.909 20 5 BCBDMN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839694888 585335605 /nfs/dbraw/zinc/33/56/05/585335605.db2.gz XVQZSZHTONNUEI-FNCVBFRFSA-N 0 1 212.249 0.909 20 5 BCBDMN O=C(N[C@H]1CCCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839699677 585336020 /nfs/dbraw/zinc/33/60/20/585336020.db2.gz XQTGDPJIZPZPDO-XLPZGREQSA-N 0 1 230.289 0.663 20 5 BCBDMN O=C(NCCOCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839671118 585336256 /nfs/dbraw/zinc/33/62/56/585336256.db2.gz YRPLEGKRYDVMBO-RKDXNWHRSA-N 0 1 228.248 0.194 20 5 BCBDMN CCc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC000839681328 585337184 /nfs/dbraw/zinc/33/71/84/585337184.db2.gz NZARXSYXUVUXBT-RKDXNWHRSA-N 0 1 238.247 0.254 20 5 BCBDMN CCc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])[nH]n1 ZINC000839681328 585337185 /nfs/dbraw/zinc/33/71/85/585337185.db2.gz NZARXSYXUVUXBT-RKDXNWHRSA-N 0 1 238.247 0.254 20 5 BCBDMN CCOC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839735030 585337373 /nfs/dbraw/zinc/33/73/73/585337373.db2.gz USRHKNROHFXGIR-OPRDCNLKSA-N 0 1 244.291 0.829 20 5 BCBDMN O=C(NCC(F)(F)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839733845 585337456 /nfs/dbraw/zinc/33/74/56/585337456.db2.gz OGHHFLRIHGTLNU-QWWZWVQMSA-N 0 1 244.144 0.668 20 5 BCBDMN CC[C@@H](C)[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708600 585337875 /nfs/dbraw/zinc/33/78/75/585337875.db2.gz LGRRLZFZSFIVNQ-BGZDPUMWSA-N 0 1 230.264 0.175 20 5 BCBDMN CN(CC1(O)CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713701 585338033 /nfs/dbraw/zinc/33/80/33/585338033.db2.gz UCXQVEVNVSAUAT-RKDXNWHRSA-N 0 1 242.275 0.415 20 5 BCBDMN C[C@@H]1COCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711163 585338037 /nfs/dbraw/zinc/33/80/37/585338037.db2.gz ZOZPUJGUFSWGLU-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN CCCCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715199 585338040 /nfs/dbraw/zinc/33/80/40/585338040.db2.gz OXACZMKMXPHJIL-NXEZZACHSA-N 0 1 244.291 0.663 20 5 BCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCSC1 ZINC000839715946 585338227 /nfs/dbraw/zinc/33/82/27/585338227.db2.gz XXQIGEJNZRNUMQ-XLPZGREQSA-N 0 1 230.289 0.616 20 5 BCBDMN CC(C)(CCCO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717650 585338290 /nfs/dbraw/zinc/33/82/90/585338290.db2.gz LIRBYFOHNLNCLJ-RKDXNWHRSA-N 0 1 244.291 0.567 20 5 BCBDMN C[C@@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839718956 585338357 /nfs/dbraw/zinc/33/83/57/585338357.db2.gz UDZNUZDWJUHLQF-NQMVMOMDSA-N 0 1 228.248 0.025 20 5 BCBDMN CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719564 585338498 /nfs/dbraw/zinc/33/84/98/585338498.db2.gz SFDKRFFKJYEAFE-ZYUZMQFOSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1F ZINC000839723856 585338741 /nfs/dbraw/zinc/33/87/41/585338741.db2.gz KOPAEGAXQULXAC-LURQLKTLSA-N 0 1 230.239 0.858 20 5 BCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000839762584 585338997 /nfs/dbraw/zinc/33/89/97/585338997.db2.gz DDUIEGCKILNWDN-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN CC1(C)CC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839765027 585339003 /nfs/dbraw/zinc/33/90/03/585339003.db2.gz JLDZGEPOMWKRMQ-PRJMDXOYSA-N 0 1 212.249 0.956 20 5 BCBDMN CC1(C)[C@H](O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839775475 585341085 /nfs/dbraw/zinc/34/10/85/585341085.db2.gz UWDWMARQDZRZNV-BWZBUEFSSA-N 0 1 228.248 0.023 20 5 BCBDMN CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839774524 585341229 /nfs/dbraw/zinc/34/12/29/585341229.db2.gz OOLUJJDTULGUSA-XLPZGREQSA-N 0 1 216.237 0.193 20 5 BCBDMN COCCC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839778996 585341349 /nfs/dbraw/zinc/34/13/49/585341349.db2.gz YUHPNUQUQNULGZ-RKDXNWHRSA-N 0 1 242.275 0.537 20 5 BCBDMN CC[C@H](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839781418 585341805 /nfs/dbraw/zinc/34/18/05/585341805.db2.gz OYAONVWMTPEZTO-JLIMGVALSA-N 0 1 244.291 0.829 20 5 BCBDMN Cc1cccnc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839782391 585341813 /nfs/dbraw/zinc/34/18/13/585341813.db2.gz HCUZZQZZRNJPOD-MWLCHTKSSA-N 0 1 249.270 0.714 20 5 BCBDMN O=C(NC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839790204 585342346 /nfs/dbraw/zinc/34/23/46/585342346.db2.gz VOAXUEVXYICZCD-AXTSPUMRSA-N 0 1 224.260 0.814 20 5 BCBDMN COC(=O)[C@]1(C)CCN(CC[N+](=O)[O-])C1 ZINC000787728106 585915050 /nfs/dbraw/zinc/91/50/50/585915050.db2.gz BRWYHCMQTLESOZ-SECBINFHSA-N 0 1 216.237 0.148 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(C)C ZINC000839862641 586151661 /nfs/dbraw/zinc/15/16/61/586151661.db2.gz DHZYEBGDVYRQQV-UTINFBMNSA-N 0 1 244.291 0.563 20 5 BCBDMN CC(C)[C@@H](C(=O)OCCC[N+](=O)[O-])N(C)C ZINC000860921647 589132550 /nfs/dbraw/zinc/13/25/50/589132550.db2.gz YZQCHXQXLGANJT-VIFPVBQESA-N 0 1 232.280 0.783 20 5 BCBDMN C=C=CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000816697840 586757711 /nfs/dbraw/zinc/75/77/11/586757711.db2.gz VYLGINWULVVLEM-UHFFFAOYSA-N 0 1 208.177 0.389 20 5 BCBDMN CC[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000817474385 586807331 /nfs/dbraw/zinc/80/73/31/586807331.db2.gz RCEMNEOGAIZIOS-UTINFBMNSA-N 0 1 242.275 0.725 20 5 BCBDMN CCCN(CC(C)(C)O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840374805 586934099 /nfs/dbraw/zinc/93/40/99/586934099.db2.gz AUGHUKFTTRCHCS-RKDXNWHRSA-N 0 1 244.291 0.661 20 5 BCBDMN O=C(N[C@@H]1C[C@H]1C1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000819631821 586984190 /nfs/dbraw/zinc/98/41/90/586984190.db2.gz VMZVGVQOMWBZRK-SGIHWFKDSA-N 0 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BLAZFCGJHVMLPS-BWZBUEFSSA-N 0 1 217.221 0.620 20 5 BCBDMN O=C(OCc1ccc(F)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673333 587916335 /nfs/dbraw/zinc/91/63/35/587916335.db2.gz KTISDEBPLQTERZ-RKDXNWHRSA-N 0 1 240.190 0.929 20 5 BCBDMN Cc1nn(C)c(C)c1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841130682 587947124 /nfs/dbraw/zinc/94/71/24/587947124.db2.gz RSVSUPVMDKTVHA-HTQZYQBOSA-N 0 1 239.231 0.608 20 5 BCBDMN CC[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000842105027 588000307 /nfs/dbraw/zinc/00/03/07/588000307.db2.gz ZCOUMJDOLJZFJB-BWZBUEFSSA-N 0 1 217.221 0.620 20 5 BCBDMN O=C(O[C@@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842301160 588015640 /nfs/dbraw/zinc/01/56/40/588015640.db2.gz VQGRLYABEKHQAS-FSDSQADBSA-N 0 1 217.246 0.700 20 5 BCBDMN Cn1nccc1CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842322322 588017551 /nfs/dbraw/zinc/01/75/51/588017551.db2.gz LLDDSNPZVVKUQF-RKDXNWHRSA-N 0 1 239.231 0.171 20 5 BCBDMN CCO[C@H]1C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349886 588020721 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CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ncc[nH]1 ZINC000846248903 588262857 /nfs/dbraw/zinc/26/28/57/588262857.db2.gz YPTZHFDFMAAUIS-RNFRBKRXSA-N 0 1 238.247 0.426 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CCO)CC1 ZINC000846663296 588281592 /nfs/dbraw/zinc/28/15/92/588281592.db2.gz RJQFXCWOWQQFQF-NXEZZACHSA-N 0 1 242.275 0.273 20 5 BCBDMN C[C@H](O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000848359061 588374094 /nfs/dbraw/zinc/37/40/94/588374094.db2.gz MRIQFJSMORSLDY-NBEYISGCSA-N 0 1 228.248 0.023 20 5 BCBDMN CC(=O)[C@@H](C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000849807631 588501843 /nfs/dbraw/zinc/50/18/43/588501843.db2.gz RYTXOYZZVABCRH-NBEYISGCSA-N 0 1 229.232 0.810 20 5 BCBDMN CC1(C)C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CO1 ZINC000849808133 588502236 /nfs/dbraw/zinc/50/22/36/588502236.db2.gz ZZIDAFMXNMAQMZ-BWZBUEFSSA-N 0 1 229.232 0.762 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000862859829 589244743 /nfs/dbraw/zinc/24/47/43/589244743.db2.gz SDBOBRVBEYMLES-UTINFBMNSA-N 0 1 240.259 0.432 20 5 BCBDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863000665 589250905 /nfs/dbraw/zinc/25/09/05/589250905.db2.gz ZDAPZACQFJSAQJ-HQBQHRAMSA-N 0 1 242.275 0.580 20 5 BCBDMN O=C(N[C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000863283741 589276093 /nfs/dbraw/zinc/27/60/93/589276093.db2.gz TXYJQHBHNOZAHZ-JLIMGVALSA-N 0 1 240.259 0.335 20 5 BCBDMN CCC[C@@H](CCO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869869068 589633583 /nfs/dbraw/zinc/63/35/83/589633583.db2.gz XMGKDRDRZWNFHZ-DJLDLDEBSA-N 0 1 230.264 0.319 20 5 BCBDMN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)O1 ZINC000870477295 589667736 /nfs/dbraw/zinc/66/77/36/589667736.db2.gz XYMHZHRBWBJKSH-GOFVFXDOSA-N 0 1 228.248 0.334 20 5 BCBDMN CO[C@H]1CC[C@@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000870728381 589687249 /nfs/dbraw/zinc/68/72/49/589687249.db2.gz KZMNPLMVJBXHEG-UTINFBMNSA-N 0 1 242.275 0.678 20 5 BCBDMN CO[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000870728380 589687443 /nfs/dbraw/zinc/68/74/43/589687443.db2.gz KZMNPLMVJBXHEG-SGIHWFKDSA-N 0 1 242.275 0.678 20 5 BCBDMN CO[C@H]1CC[C@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889326018 591098591 /nfs/dbraw/zinc/09/85/91/591098591.db2.gz VGTQRFJUXRJBAD-BGZDPUMWSA-N 0 1 228.248 0.287 20 5 BCBDMN O=C(OC[C@@H]1C[C@@]12CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC000884551012 591976242 /nfs/dbraw/zinc/97/62/42/591976242.db2.gz QGKAXQZZUJKSPD-YSSBGUOXSA-N 0 1 241.243 0.621 20 5 BCBDMN C[C@@H]1C[C@@H]1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909394459 634607175 /nfs/dbraw/zinc/60/71/75/634607175.db2.gz HQQZUKYXOFEWEP-ULAWRXDQSA-N 0 1 227.216 0.420 20 5 BCBDMN COC/C(C)=C\COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909396335 634608584 /nfs/dbraw/zinc/60/85/84/634608584.db2.gz SCKBWXPSPSYDHB-ALCBPQMDSA-N 0 1 229.232 0.788 20 5 BCBDMN CSCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000308306282 631279182 /nfs/dbraw/zinc/27/91/82/631279182.db2.gz OAVCHBJJNKCOGU-PHDIDXHHSA-N 0 1 204.251 0.131 20 5 BCBDMN C[S@@](=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905153742 637635490 /nfs/dbraw/zinc/63/54/90/637635490.db2.gz LHWGUEHPTRKBCQ-MRXNPFEDSA-N 0 1 242.300 0.790 20 5 BCBDMN CC(C)(C)NC(=O)CCNCC[N+](=O)[O-] ZINC000905098236 637636922 /nfs/dbraw/zinc/63/69/22/637636922.db2.gz RZKFZJFJOUYEOO-UHFFFAOYSA-N 0 1 217.269 0.158 20 5 BCBDMN CC(C)(C)N1C[C@H](NCC[N+](=O)[O-])CC1=O ZINC000905149157 637659373 /nfs/dbraw/zinc/65/93/73/637659373.db2.gz YIVPXEOJMFYQKR-MRVPVSSYSA-N 0 1 229.280 0.252 20 5 BCBDMN O=[N+]([O-])CCNCCOc1ncccc1F ZINC000905184228 637667160 /nfs/dbraw/zinc/66/71/60/637667160.db2.gz VRTPRPAPJORAAP-UHFFFAOYSA-N 0 1 229.211 0.466 20 5 BCBDMN O=[N+]([O-])CCNCc1ccn2ccnc2c1 ZINC000905163582 637675482 /nfs/dbraw/zinc/67/54/82/637675482.db2.gz AEUPSHGODSRXOU-UHFFFAOYSA-N 0 1 220.232 0.701 20 5 BCBDMN O=[N+]([O-])CCNCCOc1ncccc1Cl ZINC000905167236 637677659 /nfs/dbraw/zinc/67/76/59/637677659.db2.gz JLXFOXVVEAUXFM-UHFFFAOYSA-N 0 1 245.666 0.980 20 5 BCBDMN C[C@@H](CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000905229973 637690979 /nfs/dbraw/zinc/69/09/79/637690979.db2.gz DWSPHIZOPSSYNH-QMMMGPOBSA-N 0 1 247.295 0.766 20 5 BCBDMN Cc1cccc([C@H](O)CNCC[N+](=O)[O-])c1 ZINC000905361494 637779217 /nfs/dbraw/zinc/77/92/17/637779217.db2.gz PLRQUZRECNGVOX-LLVKDONJSA-N 0 1 224.260 0.895 20 5 BCBDMN O=[N+]([O-])CCNC[C@H](O)c1cccc(F)c1 ZINC000905340956 637782257 /nfs/dbraw/zinc/78/22/57/637782257.db2.gz KKMCLXATXUNUSX-JTQLQIEISA-N 0 1 228.223 0.725 20 5 BCBDMN CC[C@H](NCC[N+](=O)[O-])[C@H](O)C(F)F ZINC000905372310 637791837 /nfs/dbraw/zinc/79/18/37/637791837.db2.gz JLLAKMUKBVCYSL-WDSKDSINSA-N 0 1 212.196 0.257 20 5 BCBDMN C[C@H]1CCC[C@H](C)N1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000907988269 638537618 /nfs/dbraw/zinc/53/76/18/638537618.db2.gz XQBJXDAZZXLMQB-AXTSPUMRSA-N 0 1 241.291 0.946 20 5 BCBDMN CCc1[nH]nc(C(=O)N2CC=CC2)c1[N+](=O)[O-] ZINC000910007415 639321200 /nfs/dbraw/zinc/32/12/00/639321200.db2.gz OLKIKQGPSLPOTG-UHFFFAOYSA-N 0 1 236.231 0.892 20 5 BCBDMN COCn1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000910627042 639490602 /nfs/dbraw/zinc/49/06/02/639490602.db2.gz FTKOEOTVBMFQOL-HTQZYQBOSA-N 0 1 240.219 0.091 20 5 BCBDMN CN(CC[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000930563855 639811620 /nfs/dbraw/zinc/81/16/20/639811620.db2.gz IOLSCWJOJLWJSS-LBPRGKRZSA-N 0 1 238.287 0.799 20 5 BCBDMN CCNC(=O)[C@@H](NCC[N+](=O)[O-])C(C)C ZINC000930571474 639812416 /nfs/dbraw/zinc/81/24/16/639812416.db2.gz YNDVYGADEOZUSH-QMMMGPOBSA-N 0 1 217.269 0.013 20 5 BCBDMN CC(C)[C@]1(CO)CCCN(CC[N+](=O)[O-])C1 ZINC000930584801 639814384 /nfs/dbraw/zinc/81/43/84/639814384.db2.gz PJMGBZSPZYGSMT-LLVKDONJSA-N 0 1 230.308 0.994 20 5 BCBDMN CCN(CC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000930852732 639947197 /nfs/dbraw/zinc/94/71/97/639947197.db2.gz MNKOTECJLQSHBH-SECBINFHSA-N 0 1 202.254 0.764 20 5 BCBDMN C[C@@H]1CCCCN1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000912138998 639961818 /nfs/dbraw/zinc/96/18/18/639961818.db2.gz FAFGTCGQGJDUEG-IWSPIJDZSA-N 0 1 227.264 0.557 20 5 BCBDMN COCCN(CC[N+](=O)[O-])C1CCOCC1 ZINC000931562138 640274570 /nfs/dbraw/zinc/27/45/70/640274570.db2.gz BMRFALOERWEBCX-UHFFFAOYSA-N 0 1 232.280 0.391 20 5 BCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CC)C1 ZINC000950056204 641886090 /nfs/dbraw/zinc/88/60/90/641886090.db2.gz XHNPIQSWOQZHGZ-NXEZZACHSA-N 0 1 241.291 0.204 20 5 BCBDMN COC(=O)C(C)(C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840319740 644942440 /nfs/dbraw/zinc/94/24/40/644942440.db2.gz RDYRGMCRBLNNKO-RNFRBKRXSA-N 0 1 244.247 0.062 20 5 BCBDMN CC(C)(C)[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840435821 645031976 /nfs/dbraw/zinc/03/19/76/645031976.db2.gz BMNUGJUKUCEXHP-PRJMDXOYSA-N 0 1 230.264 0.175 20 5 BCBDMN COCC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000843629372 645297398 /nfs/dbraw/zinc/29/73/98/645297398.db2.gz CDGJILDLVOYHQM-RKDXNWHRSA-N 0 1 242.275 0.585 20 5 BCBDMN COC(C)(C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000928602489 645844662 /nfs/dbraw/zinc/84/46/62/645844662.db2.gz 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364053642 /nfs/dbraw/zinc/05/36/42/364053642.db2.gz HJKNOWJQMCPLKM-UHFFFAOYSA-N 0 1 246.288 0.755 20 5 BCBDMN CCc1nnc(Cn2c(C)ncc2[N+](=O)[O-])[nH]1 ZINC000130710330 364771506 /nfs/dbraw/zinc/77/15/06/364771506.db2.gz MSLVHOZBQYPTEU-UHFFFAOYSA-N 0 1 236.235 0.829 20 5 BCBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1ncn[nH]1 ZINC000095042175 368954735 /nfs/dbraw/zinc/95/47/35/368954735.db2.gz RTXWXWOUTAPKKK-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1nc[nH]n1 ZINC000095042175 368954741 /nfs/dbraw/zinc/95/47/41/368954741.db2.gz RTXWXWOUTAPKKK-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000377696803 370986983 /nfs/dbraw/zinc/98/69/83/370986983.db2.gz GPFFKNSMFFYJDK-BDAKNGLRSA-N 0 1 242.275 0.679 20 5 BCBDMN CN(C)C1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000276547007 371145758 /nfs/dbraw/zinc/14/57/58/371145758.db2.gz XXHCMDJHCRNAKA-UHFFFAOYSA-N 0 1 228.277 0.802 20 5 BCBDMN O=[N+]([O-])c1cnc(N2CC(N3CCCC3)C2)nc1 ZINC000601194273 371736882 /nfs/dbraw/zinc/73/68/82/371736882.db2.gz WZCLZUXJWPMVDC-UHFFFAOYSA-N 0 1 249.274 0.669 20 5 BCBDMN C[C@](CO)(NCCO)c1cccc([N+](=O)[O-])c1 ZINC000602965408 371859739 /nfs/dbraw/zinc/85/97/39/371859739.db2.gz FBGQGGJTSLIJPR-LLVKDONJSA-N 0 1 240.259 0.384 20 5 BCBDMN Cc1[nH]nc(C(=O)N2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000603267136 371878700 /nfs/dbraw/zinc/87/87/00/371878700.db2.gz RKLXPRMBJRMVRH-YFKPBYRVSA-N 0 1 224.220 0.861 20 5 BCBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1 ZINC000041031346 374090408 /nfs/dbraw/zinc/09/04/08/374090408.db2.gz ZMHVENXMQAVWQW-UHFFFAOYSA-N 0 1 249.270 0.949 20 5 BCBDMN O=C(NN1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000294424864 182276480 /nfs/dbraw/zinc/27/64/80/182276480.db2.gz OPBPWBWPYMOZGQ-UHFFFAOYSA-N 0 1 225.208 0.059 20 5 BCBDMN O=C(NCc1nnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000037921070 182272857 /nfs/dbraw/zinc/27/28/57/182272857.db2.gz JGTJQRAKDHYXGZ-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN O=C(Nc1nc[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356071648 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O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H](CO)C1 ZINC000371270757 387795663 /nfs/dbraw/zinc/79/56/63/387795663.db2.gz IHGLRHOMCDZDJG-AEJSXWLSSA-N 0 1 242.275 0.273 20 5 BCBDMN CC[C@@H](COC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162795254 388361476 /nfs/dbraw/zinc/36/14/76/388361476.db2.gz BDSBCMYKPJKRBK-LURJTMIESA-N 0 1 242.235 0.473 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000377283610 388724251 /nfs/dbraw/zinc/72/42/51/388724251.db2.gz SDBOBRVBEYMLES-JLIMGVALSA-N 0 1 240.259 0.432 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000377283611 388724759 /nfs/dbraw/zinc/72/47/59/388724759.db2.gz SDBOBRVBEYMLES-JXUBOQSCSA-N 0 1 240.259 0.432 20 5 BCBDMN Cc1cc(=O)n(Cc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000352165445 134090454 /nfs/dbraw/zinc/09/04/54/134090454.db2.gz FUFIEQAYLUMWQZ-UHFFFAOYSA-N 0 1 235.203 0.231 20 5 BCBDMN O=[N+]([O-])c1ccn(CCN2CCC(O)CC2)n1 ZINC000176194391 134289084 /nfs/dbraw/zinc/28/90/84/134289084.db2.gz KIPHIPXRKHGEET-UHFFFAOYSA-N 0 1 240.263 0.248 20 5 BCBDMN C[C@H](C(=O)[O-])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000262691473 135313946 /nfs/dbraw/zinc/31/39/46/135313946.db2.gz ZLSDJEAXVBVUSP-SSDOTTSWSA-N 0 1 242.235 0.196 20 5 BCBDMN O=C(NCc1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000044929358 411142432 /nfs/dbraw/zinc/14/24/32/411142432.db2.gz QYQIUFHBUORZJZ-UHFFFAOYSA-N 0 1 248.202 0.038 20 5 BCBDMN Cc1nc(NCCN2CCC2)ccc1[N+](=O)[O-] ZINC000436455687 411748359 /nfs/dbraw/zinc/74/83/59/411748359.db2.gz TWNNZODVNKPVRE-UHFFFAOYSA-N 0 1 236.275 1.416 20 5 BCBDMN C[C@H]1CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])=NO1 ZINC000270837069 177065021 /nfs/dbraw/zinc/06/50/21/177065021.db2.gz LQJZFODNWRKYLN-BYPYZUCNSA-N 0 1 239.191 0.170 20 5 BCBDMN C[C@H]1C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270652808 177380779 /nfs/dbraw/zinc/38/07/79/177380779.db2.gz BRBDDGIHVMDIKH-WDSKDSINSA-N 0 1 224.220 0.704 20 5 BCBDMN O=C(NCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839697603 585335480 /nfs/dbraw/zinc/33/54/80/585335480.db2.gz ULIOZTBTYFUCFN-RFZPGFLSSA-N 0 1 226.154 0.720 20 5 BCBDMN CNC(=O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418405 323123749 /nfs/dbraw/zinc/12/37/49/323123749.db2.gz OZGUZEPDWSMMQP-JTQLQIEISA-N 0 1 249.270 0.918 20 5 BCBDMN C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000572486157 324126992 /nfs/dbraw/zinc/12/69/92/324126992.db2.gz OFANFOGZUIDSDD-PHDIDXHHSA-N 0 1 240.219 0.225 20 5 BCBDMN CN(Cc1ccns1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000894066763 583293673 /nfs/dbraw/zinc/29/36/73/583293673.db2.gz HCOVTDAFNUPDPQ-HTQZYQBOSA-N 0 1 241.272 0.767 20 5 BCBDMN O=C(OCCOC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000853920444 588769077 /nfs/dbraw/zinc/76/90/77/588769077.db2.gz KLGNBEPDFXORRS-RFZPGFLSSA-N 0 1 225.147 0.434 20 5 BCBDMN CC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854734495 588804603 /nfs/dbraw/zinc/80/46/03/588804603.db2.gz VMMWUTYNIDJDRN-KXUCPTDWSA-N 0 1 240.259 0.622 20 5 BCBDMN O=C(NCC1CSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000854873716 588815161 /nfs/dbraw/zinc/81/51/61/588815161.db2.gz FPFZWWNJZPAGSB-RNFRBKRXSA-N 0 1 216.262 0.131 20 5 BCBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CO1 ZINC000855176424 588825547 /nfs/dbraw/zinc/82/55/47/588825547.db2.gz ZCHVXBNSEJYEDR-XLPZGREQSA-N 0 1 228.248 0.335 20 5 BCBDMN COCC1(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000855340990 588828720 /nfs/dbraw/zinc/82/87/20/588828720.db2.gz WUYZJJNJVVJZEF-HTQZYQBOSA-N 0 1 228.248 0.289 20 5 BCBDMN O=C(N[C@@H]1C=CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000855429354 588834582 /nfs/dbraw/zinc/83/45/82/588834582.db2.gz GCZAIPXTBPBWOW-ZCFIWIBFSA-N 0 1 222.204 0.766 20 5 BCBDMN CC(C)[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])N(C)C ZINC000813102233 582579943 /nfs/dbraw/zinc/57/99/43/582579943.db2.gz CGFNAUUPVMHAHT-BDAKNGLRSA-N 0 1 232.280 0.781 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cscn1 ZINC000855450707 588837477 /nfs/dbraw/zinc/83/74/77/588837477.db2.gz CUICITIAVBLSGM-SHYZEUOFSA-N 0 1 241.272 0.986 20 5 BCBDMN O=C(NC/C=C/Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000891199872 582625946 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Cc1cnn(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000840673674 583426266 /nfs/dbraw/zinc/42/62/66/583426266.db2.gz XXHCGQKAFZLWJV-RKDXNWHRSA-N 0 1 239.231 0.400 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1CO ZINC000857361162 588906977 /nfs/dbraw/zinc/90/69/77/588906977.db2.gz MLZXVUKZYNDMBV-ZYUZMQFOSA-N 0 1 242.275 0.129 20 5 BCBDMN O=[N+]([O-])CCNCc1ccc2c(c1)OCCO2 ZINC000899860777 584242502 /nfs/dbraw/zinc/24/25/02/584242502.db2.gz TZLPMBVWNQZKNM-UHFFFAOYSA-N 0 1 238.243 0.824 20 5 BCBDMN CCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839460019 585103427 /nfs/dbraw/zinc/10/34/27/585103427.db2.gz BIQBXOUZTAMSCQ-XLPZGREQSA-N 0 1 200.238 0.956 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000839467700 585104750 /nfs/dbraw/zinc/10/47/50/585104750.db2.gz IQVVWXILSUJOGD-FXBDTBDDSA-N 0 1 235.243 0.924 20 5 BCBDMN C[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512252 585106138 /nfs/dbraw/zinc/10/61/38/585106138.db2.gz HUIQFIIIJUIKFF-BZNPZCIMSA-N 0 1 228.248 0.287 20 5 BCBDMN NC(=O)CCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000751856986 585237938 /nfs/dbraw/zinc/23/79/38/585237938.db2.gz JOXJYAISPRPUBO-UHFFFAOYSA-N 0 1 241.203 0.345 20 5 BCBDMN CCOCCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839667522 585334601 /nfs/dbraw/zinc/33/46/01/585334601.db2.gz XFGIYAQAFDPRGI-RKDXNWHRSA-N 0 1 230.264 0.537 20 5 BCBDMN CC[C@H](C)[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689071 585335249 /nfs/dbraw/zinc/33/52/49/585335249.db2.gz ZRQPDOZOKSUCAO-SJQPAMGKSA-N 0 1 244.291 0.565 20 5 BCBDMN CSC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686636 585335267 /nfs/dbraw/zinc/33/52/67/585335267.db2.gz RTHJSHHGGHCMDX-FSDSQADBSA-N 0 1 218.278 0.519 20 5 BCBDMN CCC[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687355 585335305 /nfs/dbraw/zinc/33/53/05/585335305.db2.gz CHQYHHCOWXULRU-MRTMQBJTSA-N 0 1 230.264 0.319 20 5 BCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839699356 585335490 /nfs/dbraw/zinc/33/54/90/585335490.db2.gz WLDYXVDQWZKIFA-RBXMUDONSA-N 0 1 212.249 0.909 20 5 BCBDMN O=C(NC[C@H]1CCCC[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698800 585335527 /nfs/dbraw/zinc/33/55/27/585335527.db2.gz RQDAYOBIIYNYDP-KYXWUPHJSA-N 0 1 242.275 0.319 20 5 BCBDMN COC[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697352 585335786 /nfs/dbraw/zinc/33/57/86/585335786.db2.gz FTWKXXVAKDAXHB-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN CO[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839701976 585335840 /nfs/dbraw/zinc/33/58/40/585335840.db2.gz XHECMSNMOQYJCD-HXFLIBJXSA-N 0 1 242.275 0.581 20 5 BCBDMN CO[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839701971 585335859 /nfs/dbraw/zinc/33/58/59/585335859.db2.gz XHECMSNMOQYJCD-BGZDPUMWSA-N 0 1 242.275 0.581 20 5 BCBDMN CO[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1C ZINC000839733182 585337101 /nfs/dbraw/zinc/33/71/01/585337101.db2.gz IWXFOBWPJJZPIK-KYXWUPHJSA-N 0 1 242.275 0.535 20 5 BCBDMN CN(CCn1cccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839679271 585337165 /nfs/dbraw/zinc/33/71/65/585337165.db2.gz FIMIBFSKVCIQQJ-RKDXNWHRSA-N 0 1 238.247 0.007 20 5 BCBDMN CC[C@@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839733767 585337425 /nfs/dbraw/zinc/33/74/25/585337425.db2.gz MRPSVHXKRNTGML-KKZNHRDASA-N 0 1 242.275 0.679 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000839734281 585337585 /nfs/dbraw/zinc/33/75/85/585337585.db2.gz RADIYLMJJBJVNJ-SOYHJAILSA-N 0 1 242.275 0.676 20 5 BCBDMN O=C(NCCCc1ccccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000839710284 585337717 /nfs/dbraw/zinc/33/77/17/585337717.db2.gz XPLVKDQHCLMACP-GHMZBOCLSA-N 0 1 249.270 0.796 20 5 BCBDMN COCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839709874 585337877 /nfs/dbraw/zinc/33/78/77/585337877.db2.gz GKCHYNFPLZEQOQ-RKDXNWHRSA-N 0 1 242.275 0.585 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CC(F)C2)C1 ZINC000839713666 585338053 /nfs/dbraw/zinc/33/80/53/585338053.db2.gz SWRNMIZTTDRLFD-HTQZYQBOSA-N 0 1 228.223 0.612 20 5 BCBDMN CN(CC1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839718308 585338325 /nfs/dbraw/zinc/33/83/25/585338325.db2.gz RILMUHXLCCRZOR-NXEZZACHSA-N 0 1 242.275 0.537 20 5 BCBDMN CON(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCC1 ZINC000839726837 585338657 /nfs/dbraw/zinc/33/86/57/585338657.db2.gz SUYLFSFPOBTXAF-RKDXNWHRSA-N 0 1 228.248 0.984 20 5 BCBDMN CC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839747974 585340324 /nfs/dbraw/zinc/34/03/24/585340324.db2.gz GSUHSBXNKNLEQJ-HTQZYQBOSA-N 0 1 212.249 0.958 20 5 BCBDMN CO[C@@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839747836 585340330 /nfs/dbraw/zinc/34/03/30/585340330.db2.gz GAIRPXSXUAYENZ-KKZNHRDASA-N 0 1 242.275 0.679 20 5 BCBDMN CO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839758116 585340715 /nfs/dbraw/zinc/34/07/15/585340715.db2.gz QGSPHDJYMKHFKH-AXTSPUMRSA-N 0 1 242.275 0.678 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC000839778030 585341307 /nfs/dbraw/zinc/34/13/07/585341307.db2.gz IADNZWTUGRFMBQ-HSUXUTPPSA-N 0 1 222.191 0.812 20 5 BCBDMN CO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000839781863 585341626 /nfs/dbraw/zinc/34/16/26/585341626.db2.gz AVSMMIPEWZCXEI-JLIMGVALSA-N 0 1 242.275 0.535 20 5 BCBDMN O=C(NCCC[C@@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839789270 585342283 /nfs/dbraw/zinc/34/22/83/585342283.db2.gz XEWDQOPXTJOIMF-OPRDCNLKSA-N 0 1 242.275 0.585 20 5 BCBDMN COC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000759784328 585380296 /nfs/dbraw/zinc/38/02/96/585380296.db2.gz BXVWNZXDOYWRQK-YFKPBYRVSA-N 0 1 242.187 0.641 20 5 BCBDMN C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)O1 ZINC000839843702 586135967 /nfs/dbraw/zinc/13/59/67/586135967.db2.gz CSKIFMKQJHTFRD-VVULQXIFSA-N 0 1 242.275 0.581 20 5 BCBDMN O=C(Nc1cccc(CO)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840240554 586568848 /nfs/dbraw/zinc/56/88/48/586568848.db2.gz CYTKIBGSMAGLBI-NXEZZACHSA-N 0 1 236.227 0.783 20 5 BCBDMN CC1(C)COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840284986 586598445 /nfs/dbraw/zinc/59/84/45/586598445.db2.gz OMLVVHWFBTYISO-HTQZYQBOSA-N 0 1 228.248 0.289 20 5 BCBDMN CC[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000817474384 586807347 /nfs/dbraw/zinc/80/73/47/586807347.db2.gz RCEMNEOGAIZIOS-SGIHWFKDSA-N 0 1 242.275 0.725 20 5 BCBDMN C[C@@H]1CC[C@H](O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817647322 586815532 /nfs/dbraw/zinc/81/55/32/586815532.db2.gz QVJGEWPILNZOFK-BZNPZCIMSA-N 0 1 228.248 0.023 20 5 BCBDMN CC[C@](C)(CCO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840414595 587100258 /nfs/dbraw/zinc/10/02/58/587100258.db2.gz PVFMYQXMSKOAOT-NQMVMOMDSA-N 0 1 230.264 0.319 20 5 BCBDMN CC[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840441507 587103204 /nfs/dbraw/zinc/10/32/04/587103204.db2.gz WGUFLCODDFSRPY-MRTMQBJTSA-N 0 1 228.248 0.337 20 5 BCBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1F ZINC000822150766 587157095 /nfs/dbraw/zinc/15/70/95/587157095.db2.gz PCZCJINWRICYRJ-JXOAFFINSA-N 0 1 217.196 0.943 20 5 BCBDMN C[C@@H](N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)O ZINC000840475516 587196740 /nfs/dbraw/zinc/19/67/40/587196740.db2.gz XWOGFZJJBOURJB-BWZBUEFSSA-N 0 1 230.264 0.269 20 5 BCBDMN Cc1n[nH]cc1CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000824056926 587252756 /nfs/dbraw/zinc/25/27/56/587252756.db2.gz NFLMYQMUVSEYKM-RKDXNWHRSA-N 0 1 238.247 0.342 20 5 BCBDMN CC[C@@H](C[C@H](C)O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831327169 587598527 /nfs/dbraw/zinc/59/85/27/587598527.db2.gz SJNHTUNEKYDRET-RBXMUDONSA-N 0 1 230.264 0.317 20 5 BCBDMN CC[C@@H](C[C@@H](C)O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831327165 587598612 /nfs/dbraw/zinc/59/86/12/587598612.db2.gz SJNHTUNEKYDRET-BZNPZCIMSA-N 0 1 230.264 0.317 20 5 BCBDMN CCC[C@@H](O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000832680484 587677156 /nfs/dbraw/zinc/67/71/56/587677156.db2.gz DSTSHTJDFNASFF-IWSPIJDZSA-N 0 1 230.264 0.319 20 5 BCBDMN O=C(OCc1cncc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673501 587915282 /nfs/dbraw/zinc/91/52/82/587915282.db2.gz QMSHGRDDYHESSL-RKDXNWHRSA-N 0 1 240.190 0.929 20 5 BCBDMN O=C(OCC1CCC(=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672549 587915829 /nfs/dbraw/zinc/91/58/29/587915829.db2.gz BBFVWKSJEGUWBA-NXEZZACHSA-N 0 1 241.243 0.954 20 5 BCBDMN CO[C@@H]1CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841220235 587949246 /nfs/dbraw/zinc/94/92/46/587949246.db2.gz LBMZHKPTSYWQMD-FNCVBFRFSA-N 0 1 229.232 0.762 20 5 BCBDMN O=C(OC[C@@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842320748 588017108 /nfs/dbraw/zinc/01/71/08/588017108.db2.gz ISKZFZHMBKONRZ-XLPZGREQSA-N 0 1 231.273 0.948 20 5 BCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000844863256 588218415 /nfs/dbraw/zinc/21/84/15/588218415.db2.gz VHQCEFNPJSAZIC-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN C[C@@H](COCC1CC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844937090 588219534 /nfs/dbraw/zinc/21/95/34/588219534.db2.gz LMNDGVBGVIJALC-FXBDTBDDSA-N 0 1 242.275 0.583 20 5 BCBDMN CCC[C@H](C)[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846358286 588264993 /nfs/dbraw/zinc/26/49/93/588264993.db2.gz COSMMXVBIDYEHX-QCLAVDOMSA-N 0 1 244.291 0.565 20 5 BCBDMN CC(C)[C@H](O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000849806166 588501685 /nfs/dbraw/zinc/50/16/85/588501685.db2.gz FCFWISGTQOKJMP-BWZBUEFSSA-N 0 1 217.221 0.212 20 5 BCBDMN Cc1conc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861200000 589149634 /nfs/dbraw/zinc/14/96/34/589149634.db2.gz OTZGFQXCAQUBFS-HTRCEHHLSA-N 0 1 226.188 0.691 20 5 BCBDMN CC(C)CC[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862780609 589241806 /nfs/dbraw/zinc/24/18/06/589241806.db2.gz VQZCBWFOAAVPBV-IVZWLZJFSA-N 0 1 244.291 0.565 20 5 BCBDMN CN[C@@H](C)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642018 589386901 /nfs/dbraw/zinc/38/69/01/589386901.db2.gz HBRPVNLGRPORGG-ZETCQYMHSA-N 0 1 227.268 0.614 20 5 BCBDMN CC(C)C(=O)OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870772874 589689108 /nfs/dbraw/zinc/68/91/08/589689108.db2.gz OJSUNPRDIHMUEV-HTQZYQBOSA-N 0 1 245.231 0.394 20 5 BCBDMN CS[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000871097958 589726294 /nfs/dbraw/zinc/72/62/94/589726294.db2.gz NAJDAWNOOCNUEG-WCTZXXKLSA-N 0 1 230.289 0.662 20 5 BCBDMN COC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000882092910 591296620 /nfs/dbraw/zinc/29/66/20/591296620.db2.gz KNFSAMMELPGFOS-BZNPZCIMSA-N 0 1 228.248 0.193 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ncncc2C1 ZINC000883042854 591526489 /nfs/dbraw/zinc/52/64/89/591526489.db2.gz MOVKGLGPLLLMCY-PSASIEDQSA-N 0 1 248.242 0.027 20 5 BCBDMN O=C([O-])[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819292556 596898936 /nfs/dbraw/zinc/89/89/36/596898936.db2.gz REZFGMJIIFKMCO-SSDOTTSWSA-N 0 1 240.219 0.155 20 5 BCBDMN O=C([O-])[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000819292556 596898937 /nfs/dbraw/zinc/89/89/37/596898937.db2.gz REZFGMJIIFKMCO-SSDOTTSWSA-N 0 1 240.219 0.155 20 5 BCBDMN CO[C@@H]1CC[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000931474291 634494565 /nfs/dbraw/zinc/49/45/65/634494565.db2.gz LPUKLTIGUUUJNS-DTWKUNHWSA-N 0 1 202.254 0.762 20 5 BCBDMN Cc1cn(C)nc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909394399 634607228 /nfs/dbraw/zinc/60/72/28/634607228.db2.gz GIPWDIACDXPJKM-VXNVDRBHSA-N 0 1 239.231 0.437 20 5 BCBDMN COC(=O)C[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1C ZINC000932100141 635563329 /nfs/dbraw/zinc/56/33/29/635563329.db2.gz XWRRXSOCAYNQSS-RKDXNWHRSA-N 0 1 230.264 0.394 20 5 BCBDMN Cc1noc(C)c1CCNCC[N+](=O)[O-] ZINC000905102111 637610949 /nfs/dbraw/zinc/61/09/49/637610949.db2.gz QMCLCVIBBILIIC-UHFFFAOYSA-N 0 1 213.237 0.700 20 5 BCBDMN O=C(CCNCC[N+](=O)[O-])Nc1ccccc1 ZINC000905114898 637620700 /nfs/dbraw/zinc/62/07/00/637620700.db2.gz SNZGVZOOJXUZGM-UHFFFAOYSA-N 0 1 237.259 0.882 20 5 BCBDMN O=[N+]([O-])CCNCc1cccc(-n2cncn2)c1 ZINC000905128868 637641418 /nfs/dbraw/zinc/64/14/18/637641418.db2.gz VXLDMZRTIKSOQO-UHFFFAOYSA-N 0 1 247.258 0.634 20 5 BCBDMN CC(C)(C)N1C[C@@H](NCC[N+](=O)[O-])CC1=O ZINC000905149159 637658849 /nfs/dbraw/zinc/65/88/49/637658849.db2.gz YIVPXEOJMFYQKR-QMMMGPOBSA-N 0 1 229.280 0.252 20 5 BCBDMN C[C@H](CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000905213644 637699314 /nfs/dbraw/zinc/69/93/14/637699314.db2.gz DWSPHIZOPSSYNH-MRVPVSSYSA-N 0 1 247.295 0.766 20 5 BCBDMN NC(=O)Cc1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905259928 637715211 /nfs/dbraw/zinc/71/52/11/637715211.db2.gz IRIFIMZEHHRNAW-UHFFFAOYSA-N 0 1 237.259 0.081 20 5 BCBDMN C[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905345091 637767984 /nfs/dbraw/zinc/76/79/84/637767984.db2.gz LFUPJXZBIPTYDA-MWLCHTKSSA-N 0 1 224.260 0.975 20 5 BCBDMN Cc1ccccc1[C@@H](O)CNCC[N+](=O)[O-] ZINC000905347679 637769827 /nfs/dbraw/zinc/76/98/27/637769827.db2.gz BPRVLQKBRATEIJ-NSHDSACASA-N 0 1 224.260 0.895 20 5 BCBDMN O=[N+]([O-])CCN[C@H](CO)Cc1ccc(O)cc1 ZINC000905342323 637783272 /nfs/dbraw/zinc/78/32/72/637783272.db2.gz VOGOFEPVCDNTRZ-JTQLQIEISA-N 0 1 240.259 0.162 20 5 BCBDMN O=[N+]([O-])CCN[C@H](CO)Cc1ccc(F)cc1 ZINC000905365633 637787546 /nfs/dbraw/zinc/78/75/46/637787546.db2.gz CHVRYVXMYXXNBQ-NSHDSACASA-N 0 1 242.250 0.595 20 5 BCBDMN COC(=O)C1=CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905391154 637794239 /nfs/dbraw/zinc/79/42/39/637794239.db2.gz UHPLFZZSOPUHSV-QMMMGPOBSA-N 0 1 214.221 0.115 20 5 BCBDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCC[N+](=O)[O-])C1 ZINC000905403848 637797634 /nfs/dbraw/zinc/79/76/34/637797634.db2.gz FKUBEIRVRRAQOG-DTORHVGOSA-N 0 1 244.291 0.973 20 5 BCBDMN CN1C(=O)c2ccccc2[C@H]1CNCC[N+](=O)[O-] ZINC000905393365 637806694 /nfs/dbraw/zinc/80/66/94/637806694.db2.gz AIKKRBSPJYPFEH-LLVKDONJSA-N 0 1 249.270 0.680 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)Cc1ccccc1F ZINC000905471890 637830651 /nfs/dbraw/zinc/83/06/51/637830651.db2.gz IHVJQAGMLOHLTL-JTQLQIEISA-N 0 1 242.250 0.595 20 5 BCBDMN CO[C@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930323465 639704115 /nfs/dbraw/zinc/70/41/15/639704115.db2.gz NOXPEGNBLVXRFC-IUCAKERBSA-N 0 1 202.254 0.762 20 5 BCBDMN CO[C@H]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930323465 639704122 /nfs/dbraw/zinc/70/41/22/639704122.db2.gz NOXPEGNBLVXRFC-IUCAKERBSA-N 0 1 202.254 0.762 20 5 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CCc1[nH]nc(C(=O)N2CC(F)C2)c1[N+](=O)[O-] ZINC000346021309 356955405 /nfs/dbraw/zinc/95/54/05/356955405.db2.gz CLIIERQAOHTGGN-UHFFFAOYSA-N 0 1 242.210 0.674 20 5 BCBDMN O=C(NCCF)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437682747 201366432 /nfs/dbraw/zinc/36/64/32/201366432.db2.gz YOFXXJKCDGIACN-UHFFFAOYSA-N 0 1 228.179 1.000 20 5 BCBDMN O=C1CC[C@@H](CNCc2ccccc2[N+](=O)[O-])N1 ZINC000079929038 370704833 /nfs/dbraw/zinc/70/48/33/370704833.db2.gz ODHHQKMFJQNLFI-JTQLQIEISA-N 0 1 249.270 0.963 20 5 BCBDMN CC1(C)CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCCO1 ZINC000377696815 370986920 /nfs/dbraw/zinc/98/69/20/370986920.db2.gz GPFFKNSMFFYJDK-DTWKUNHWSA-N 0 1 242.275 0.679 20 5 BCBDMN COCC(C)(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602771471 371838406 /nfs/dbraw/zinc/83/84/06/371838406.db2.gz BBANXHANVQZBCR-UHFFFAOYSA-N 0 1 242.279 0.843 20 5 BCBDMN O=C(NCCCCF)c1n[nH]cc1[N+](=O)[O-] ZINC000360815424 182164486 /nfs/dbraw/zinc/16/44/86/182164486.db2.gz FVSBQOKIAMZBQR-UHFFFAOYSA-N 0 1 230.199 0.797 20 5 BCBDMN O=C(NCc1ccc[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000122183562 182253605 /nfs/dbraw/zinc/25/36/05/182253605.db2.gz FFBYKXFVHUXBQP-UHFFFAOYSA-N 0 1 235.203 0.576 20 5 BCBDMN O=C(NCc1nnc[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000037921015 182271312 /nfs/dbraw/zinc/27/13/12/182271312.db2.gz JHORMDLYKGJRRG-UHFFFAOYSA-N 0 1 237.175 0.236 20 5 BCBDMN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000374363198 182305614 /nfs/dbraw/zinc/30/56/14/182305614.db2.gz PIWDIWPLCIQHRI-DOLQZWNJSA-N 0 1 240.259 0.335 20 5 BCBDMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC1[N+](=O)[O-] ZINC000373097333 182319343 /nfs/dbraw/zinc/31/93/43/182319343.db2.gz ABTKKNNVHFYKLD-WUNNTHRKSA-N 0 1 226.232 0.088 20 5 BCBDMN CN(CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338896792 383852848 /nfs/dbraw/zinc/85/28/48/383852848.db2.gz CAKPYTDZIVBILH-UHFFFAOYSA-N 0 1 226.232 0.725 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](C2CC2)C1 ZINC000362397063 384204462 /nfs/dbraw/zinc/20/44/62/384204462.db2.gz QROIUYPEOMVGJQ-AEJSXWLSSA-N 0 1 224.260 0.910 20 5 BCBDMN CC[C@H](COC)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000162795375 384687014 /nfs/dbraw/zinc/68/70/14/384687014.db2.gz BDSBCMYKPJKRBK-ZCFIWIBFSA-N 0 1 242.235 0.473 20 5 BCBDMN O=[N+]([O-])c1cccc(CNC(CO)CO)c1 ZINC000083690678 384826562 /nfs/dbraw/zinc/82/65/62/384826562.db2.gz QVWBYQDGESKEQL-UHFFFAOYSA-N 0 1 226.232 0.038 20 5 BCBDMN CS[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120335796 385688841 /nfs/dbraw/zinc/68/88/41/385688841.db2.gz CWXLPIBTWVGWCD-RXMQYKEDSA-N 0 1 244.276 0.799 20 5 BCBDMN CS[C@@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120335615 385691067 /nfs/dbraw/zinc/69/10/67/385691067.db2.gz CWXLPIBTWVGWCD-YFKPBYRVSA-N 0 1 244.276 0.799 20 5 BCBDMN C[C@@H](O)C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000341920829 385841199 /nfs/dbraw/zinc/84/11/99/385841199.db2.gz FSXJDIUDCCZFNV-NTSWFWBYSA-N 0 1 242.235 0.207 20 5 BCBDMN Cc1nc(Cn2cc([N+](=O)[O-])cc(C)c2=O)n[nH]1 ZINC000291604334 385898928 /nfs/dbraw/zinc/89/89/28/385898928.db2.gz IXBBFEASGNHOFH-UHFFFAOYSA-N 0 1 249.230 0.540 20 5 BCBDMN Cc1ncc([N+](=O)[O-])n1CCc1c[nH]nn1 ZINC000571702166 386207565 /nfs/dbraw/zinc/20/75/65/386207565.db2.gz DQTXKWMWBBLBDN-UHFFFAOYSA-N 0 1 222.208 0.461 20 5 BCBDMN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1nnc[nH]1 ZINC000226500955 386322158 /nfs/dbraw/zinc/32/21/58/386322158.db2.gz IITVOPOLRKYXOT-RXMQYKEDSA-N 0 1 237.223 0.620 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H](CO)C1 ZINC000371270758 387796963 /nfs/dbraw/zinc/79/69/63/387796963.db2.gz IHGLRHOMCDZDJG-BBBLOLIVSA-N 0 1 242.275 0.273 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC12CCC2 ZINC000370909732 387912849 /nfs/dbraw/zinc/91/28/49/387912849.db2.gz UYNPILUHFVNPIE-RKDXNWHRSA-N 0 1 240.259 0.433 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC[C@H]1C1CC1 ZINC000372373914 388258498 /nfs/dbraw/zinc/25/84/98/388258498.db2.gz PQCOYDFENUKCEF-BBBLOLIVSA-N 0 1 240.259 0.289 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](O)(C2CC2)C1 ZINC000373256590 388226387 /nfs/dbraw/zinc/22/63/87/388226387.db2.gz OSFFQFOBGBCAFZ-WCABBAIRSA-N 0 1 240.259 0.025 20 5 BCBDMN C[C@@H]1C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270652806 388362939 /nfs/dbraw/zinc/36/29/39/388362939.db2.gz BRBDDGIHVMDIKH-RITPCOANSA-N 0 1 224.220 0.704 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC([C@H]2CCOC2)C1 ZINC000377413781 388724832 /nfs/dbraw/zinc/72/48/32/388724832.db2.gz UBZHFCWWXCFOGG-SFGNSQDASA-N 0 1 240.259 0.147 20 5 BCBDMN Cn1cnc([N+](=O)[O-])c1NCc1nnc[nH]1 ZINC000037920001 397952183 /nfs/dbraw/zinc/95/21/83/397952183.db2.gz UWMJEQLZMISBOC-UHFFFAOYSA-N 0 1 223.196 0.059 20 5 BCBDMN O=[N+]([O-])c1cccnc1NCc1nn[nH]n1 ZINC000044931621 411142533 /nfs/dbraw/zinc/14/25/33/411142533.db2.gz PASYFKWAFORJDG-UHFFFAOYSA-N 0 1 221.180 0.115 20 5 BCBDMN Cc1cc(CNc2ncc([N+](=O)[O-])c(N)n2)n[nH]1 ZINC000609595771 411952735 /nfs/dbraw/zinc/95/27/35/411952735.db2.gz HZCROWITUXBMLG-UHFFFAOYSA-N 0 1 249.234 0.033 20 5 BCBDMN O=C(Nc1cc[nH]n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355960691 412358654 /nfs/dbraw/zinc/35/86/54/412358654.db2.gz URGPJWQVZUFOLM-UHFFFAOYSA-N 0 1 248.198 1.276 20 5 BCBDMN CCc1nnc(Cn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000181750891 171994005 /nfs/dbraw/zinc/99/40/05/171994005.db2.gz UNMXKIPBMQGHMC-UHFFFAOYSA-N 0 1 222.208 0.520 20 5 BCBDMN CCc1nc(Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000181709495 171994389 /nfs/dbraw/zinc/99/43/89/171994389.db2.gz NZRZIWWUDLMOPK-UHFFFAOYSA-N 0 1 249.230 0.485 20 5 BCBDMN CNC(=O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000035011539 173277731 /nfs/dbraw/zinc/27/77/31/173277731.db2.gz URAMETNHDJWGJZ-UHFFFAOYSA-N 0 1 237.259 0.739 20 5 BCBDMN C[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000054370221 176327087 /nfs/dbraw/zinc/32/70/87/176327087.db2.gz QJKOGEWJZVGXTR-SSDOTTSWSA-N 0 1 239.231 0.622 20 5 BCBDMN C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000572486156 324127033 /nfs/dbraw/zinc/12/70/33/324127033.db2.gz OFANFOGZUIDSDD-NTSWFWBYSA-N 0 1 240.219 0.225 20 5 BCBDMN O=C(NCc1cccnc1)c1n[nH]cc1[N+](=O)[O-] ZINC000158995113 326347687 /nfs/dbraw/zinc/34/76/87/326347687.db2.gz VWRLCFDIWYVESB-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000855581416 588840110 /nfs/dbraw/zinc/84/01/10/588840110.db2.gz YHYFNUVFEOLMLP-FNCVBFRFSA-N 0 1 240.259 0.335 20 5 BCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1(F)F ZINC000855796820 588848615 /nfs/dbraw/zinc/84/86/15/588848615.db2.gz VROAPKPCGHTFEM-ATRFCDNQSA-N 0 1 234.202 0.813 20 5 BCBDMN O=C(NC[C@H](CO)CC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000855913199 588853381 /nfs/dbraw/zinc/85/33/81/588853381.db2.gz ASAIIRKZENEAQT-OPRDCNLKSA-N 0 1 242.275 0.176 20 5 BCBDMN C[C@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840554849 582858781 /nfs/dbraw/zinc/85/87/81/582858781.db2.gz DDBIGHDLRQPQBV-AXTSPUMRSA-N 0 1 242.275 0.271 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2nccnc2C1 ZINC000856242585 588865173 /nfs/dbraw/zinc/86/51/73/588865173.db2.gz IPCKSNRGWVTSFQ-GMSGAONNSA-N 0 1 248.242 0.027 20 5 BCBDMN O=C(OCC[C@@H]1CCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671397 583406929 /nfs/dbraw/zinc/40/69/29/583406929.db2.gz UHSKMLOFJPVQCB-DJLDLDEBSA-N 0 1 241.243 0.954 20 5 BCBDMN O=C(OCC[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673123 583421351 /nfs/dbraw/zinc/42/13/51/583421351.db2.gz HTDQOEQWJLMQIB-DJLDLDEBSA-N 0 1 229.232 0.764 20 5 BCBDMN O=C(OCCOC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673346 583422829 /nfs/dbraw/zinc/42/28/29/583422829.db2.gz LKNMLMYFJHNRIY-RKDXNWHRSA-N 0 1 229.232 0.764 20 5 BCBDMN CN(CC1CN(C)C1)c1c([N+](=O)[O-])cnn1C ZINC000894540944 583480545 /nfs/dbraw/zinc/48/05/45/583480545.db2.gz QIVMVEXHQQOUGC-UHFFFAOYSA-N 0 1 239.279 0.326 20 5 BCBDMN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000889609300 583923278 /nfs/dbraw/zinc/92/32/78/583923278.db2.gz BMHUAQNGVXGUEO-VVULQXIFSA-N 0 1 224.260 0.956 20 5 BCBDMN CC(F)(F)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861221867 583950855 /nfs/dbraw/zinc/95/08/55/583950855.db2.gz RIFDDIZKEPHNHN-RFZPGFLSSA-N 0 1 209.148 0.850 20 5 BCBDMN O=C(Nc1ccc(CO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000898591564 584144089 /nfs/dbraw/zinc/14/40/89/584144089.db2.gz ONIRWHMGVTXVTM-NXEZZACHSA-N 0 1 236.227 0.783 20 5 BCBDMN O=[N+]([O-])CCNCCOc1ccccc1 ZINC000899859275 584242803 /nfs/dbraw/zinc/24/28/03/584242803.db2.gz IJPHILPUABKRLV-UHFFFAOYSA-N 0 1 210.233 0.932 20 5 BCBDMN COc1ccc([C@@H](O)CNCC[N+](=O)[O-])cc1 ZINC000899869319 584244102 /nfs/dbraw/zinc/24/41/02/584244102.db2.gz CKPCFCQVGNSYCV-NSHDSACASA-N 0 1 240.259 0.595 20 5 BCBDMN CCOC(=O)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000732501393 584938037 /nfs/dbraw/zinc/93/80/37/584938037.db2.gz FEPMPBCOAFSLRV-UHFFFAOYSA-N 0 1 242.187 0.643 20 5 BCBDMN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839524381 585105770 /nfs/dbraw/zinc/10/57/70/585105770.db2.gz HHQRSQMRXSYOAP-NBEYISGCSA-N 0 1 212.249 0.909 20 5 BCBDMN CCCCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839595704 585331452 /nfs/dbraw/zinc/33/14/52/585331452.db2.gz LUOFIFYGEMHQEV-RKDXNWHRSA-N 0 1 230.264 0.585 20 5 BCBDMN COCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839586264 585332102 /nfs/dbraw/zinc/33/21/02/585332102.db2.gz QZMXZBUJTLIVGU-HTQZYQBOSA-N 0 1 216.237 0.147 20 5 BCBDMN CO[C@@H](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839625899 585332743 /nfs/dbraw/zinc/33/27/43/585332743.db2.gz OMFKMZIMLBCIEA-XLPZGREQSA-N 0 1 216.237 0.193 20 5 BCBDMN CCCCOC(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839663938 585334699 /nfs/dbraw/zinc/33/46/99/585334699.db2.gz MQHKWBKBXCVAOC-HTQZYQBOSA-N 0 1 244.247 0.111 20 5 BCBDMN O=C(NCC1CCSCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839685333 585334958 /nfs/dbraw/zinc/33/49/58/585334958.db2.gz UPSCHZXEMFANOR-RKDXNWHRSA-N 0 1 244.316 0.911 20 5 BCBDMN CO[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839643176 585334972 /nfs/dbraw/zinc/33/49/72/585334972.db2.gz DLPFCEZRNIKVFI-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839699351 585335601 /nfs/dbraw/zinc/33/56/01/585335601.db2.gz WLDYXVDQWZKIFA-BZNPZCIMSA-N 0 1 212.249 0.909 20 5 BCBDMN O=C(NCCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839700498 585336061 /nfs/dbraw/zinc/33/60/61/585336061.db2.gz IUNJJECHZMJROD-RKDXNWHRSA-N 0 1 212.249 0.958 20 5 BCBDMN CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708605 585337610 /nfs/dbraw/zinc/33/76/10/585337610.db2.gz LGRRLZFZSFIVNQ-JQCXWYLXSA-N 0 1 230.264 0.175 20 5 BCBDMN CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708606 585337620 /nfs/dbraw/zinc/33/76/20/585337620.db2.gz LGRRLZFZSFIVNQ-KDXUFGMBSA-N 0 1 230.264 0.175 20 5 BCBDMN CCc1ncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000839709188 585337802 /nfs/dbraw/zinc/33/78/02/585337802.db2.gz LECSHQKBBBQAGP-HTQZYQBOSA-N 0 1 236.231 0.643 20 5 BCBDMN Cc1cnccc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711862 585338132 /nfs/dbraw/zinc/33/81/32/585338132.db2.gz AZASKSYLROHMGB-GHMZBOCLSA-N 0 1 249.270 0.714 20 5 BCBDMN C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711898 585338180 /nfs/dbraw/zinc/33/81/80/585338180.db2.gz BATOXHDANAPCTJ-SGIHWFKDSA-N 0 1 242.275 0.414 20 5 BCBDMN CO[C@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719562 585338255 /nfs/dbraw/zinc/33/82/55/585338255.db2.gz SFDKRFFKJYEAFE-KYXWUPHJSA-N 0 1 242.275 0.583 20 5 BCBDMN O=C(Nc1ccc2nncn2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839717811 585338270 /nfs/dbraw/zinc/33/82/70/585338270.db2.gz MFAGIWPTQUVUEY-HTQZYQBOSA-N 0 1 247.214 0.333 20 5 BCBDMN CCc1cnccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839721808 585338705 /nfs/dbraw/zinc/33/87/05/585338705.db2.gz ZZOYQMOIGDOBNJ-GHMZBOCLSA-N 0 1 249.270 0.925 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOCC2(CC2)C1 ZINC000839723388 585338810 /nfs/dbraw/zinc/33/88/10/585338810.db2.gz SQXFYXPEXDKPML-RKDXNWHRSA-N 0 1 240.259 0.291 20 5 BCBDMN C/C=C\C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729039 585338829 /nfs/dbraw/zinc/33/88/29/585338829.db2.gz VAYQRZZVUMUWAG-VWAQZPJRSA-N 0 1 228.248 0.095 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1=O ZINC000839728515 585338833 /nfs/dbraw/zinc/33/88/33/585338833.db2.gz LDRUOZWCTJUYIP-BWZBUEFSSA-N 0 1 226.232 0.089 20 5 BCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000839762585 585339038 /nfs/dbraw/zinc/33/90/38/585339038.db2.gz DDUIEGCKILNWDN-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN CC1(C)SC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761416 585339127 /nfs/dbraw/zinc/33/91/27/585339127.db2.gz OOKRLAZXBAEXOA-QYNIQEEDSA-N 0 1 230.289 0.662 20 5 BCBDMN O=C(NC[C@H]1CCCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839769679 585339564 /nfs/dbraw/zinc/33/95/64/585339564.db2.gz HVBVMOBMGXTWOZ-IWSPIJDZSA-N 0 1 244.316 0.911 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(OC)OC ZINC000839742892 585339837 /nfs/dbraw/zinc/33/98/37/585339837.db2.gz MVMRABSHPSSZEE-BWZBUEFSSA-N 0 1 246.263 0.165 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(OC)OC ZINC000839742893 585339901 /nfs/dbraw/zinc/33/99/01/585339901.db2.gz MVMRABSHPSSZEE-GJMOJQLCSA-N 0 1 246.263 0.165 20 5 BCBDMN CC1(F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839747365 585340130 /nfs/dbraw/zinc/34/01/30/585340130.db2.gz BLQGAZSTDCHRTO-PHDIDXHHSA-N 0 1 202.185 0.222 20 5 BCBDMN CC1(C)[C@@H](O)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839775477 585341066 /nfs/dbraw/zinc/34/10/66/585341066.db2.gz UWDWMARQDZRZNV-PRJMDXOYSA-N 0 1 228.248 0.023 20 5 BCBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839779108 585341469 /nfs/dbraw/zinc/34/14/69/585341469.db2.gz SGAMUYAPOKTUFM-HLTSFMKQSA-N 0 1 228.248 0.193 20 5 BCBDMN CC(C)[C@H]1CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781841 585341666 /nfs/dbraw/zinc/34/16/66/585341666.db2.gz BEMGXHQDYLUWNS-IWSPIJDZSA-N 0 1 212.249 0.909 20 5 BCBDMN CC[C@@](C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839783247 585342127 /nfs/dbraw/zinc/34/21/27/585342127.db2.gz PGHUOWFKIZSDKD-MRTMQBJTSA-N 0 1 230.264 0.583 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]2COC[C@@H]21 ZINC000839797922 585483394 /nfs/dbraw/zinc/48/33/94/585483394.db2.gz RQXFTHQNQDYVPM-KYXWUPHJSA-N 0 1 240.259 0.289 20 5 BCBDMN Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1C ZINC000839800083 585534400 /nfs/dbraw/zinc/53/44/00/585534400.db2.gz QHOMOSJDZAGNNH-GHMZBOCLSA-N 0 1 249.270 0.980 20 5 BCBDMN O=C(Nn1cnnc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000773591119 585640929 /nfs/dbraw/zinc/64/09/29/585640929.db2.gz ZPAMATNGPWMPSF-UHFFFAOYSA-N 0 1 249.186 0.276 20 5 BCBDMN C[C@H](O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000791051571 585972766 /nfs/dbraw/zinc/97/27/66/585972766.db2.gz FKRFRZISAIBMAK-QMMMGPOBSA-N 0 1 202.254 0.356 20 5 BCBDMN C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)O1 ZINC000839843698 586136103 /nfs/dbraw/zinc/13/61/03/586136103.db2.gz CSKIFMKQJHTFRD-JDDHQFAOSA-N 0 1 242.275 0.581 20 5 BCBDMN O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1CCO ZINC000798195447 586139960 /nfs/dbraw/zinc/13/99/60/586139960.db2.gz NNORNQFBSRQLAO-VIFPVBQESA-N 0 1 202.254 0.500 20 5 BCBDMN CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000816105869 586709196 /nfs/dbraw/zinc/70/91/96/586709196.db2.gz VTKYDPVLDLGHQA-UHFFFAOYSA-N 0 1 241.203 0.216 20 5 BCBDMN C[N@H+](CCC(=O)[O-])CCn1ccc([N+](=O)[O-])n1 ZINC000818463082 586892169 /nfs/dbraw/zinc/89/21/69/586892169.db2.gz UOLKBBNDWZSBAU-UHFFFAOYSA-N 0 1 242.235 0.198 20 5 BCBDMN CC(C)(C)C(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840406450 587068503 /nfs/dbraw/zinc/06/85/03/587068503.db2.gz KFLKDYYMDFBCAK-RNFRBKRXSA-N 0 1 228.248 0.383 20 5 BCBDMN CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000840408098 587088357 /nfs/dbraw/zinc/08/83/57/587088357.db2.gz QEZIXORVNRUYLW-RKDXNWHRSA-N 0 1 242.275 0.727 20 5 BCBDMN O=C(Nc1cncc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840442821 587103544 /nfs/dbraw/zinc/10/35/44/587103544.db2.gz JOTFIBADSLLOKT-HTQZYQBOSA-N 0 1 225.179 0.824 20 5 BCBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000840464761 587115911 /nfs/dbraw/zinc/11/59/11/587115911.db2.gz XIINDSCOHXOMQK-OPRDCNLKSA-N 0 1 242.275 0.678 20 5 BCBDMN Cc1cnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000831538078 587617858 /nfs/dbraw/zinc/61/78/58/587617858.db2.gz ZCEBTPPRVUMGLT-MWLCHTKSSA-N 0 1 249.270 0.980 20 5 BCBDMN O=C(OC[C@@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672216 587915485 /nfs/dbraw/zinc/91/54/85/587915485.db2.gz GNPVVXISXQPTPH-XLPZGREQSA-N 0 1 215.205 0.374 20 5 BCBDMN CC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673055 587915748 /nfs/dbraw/zinc/91/57/48/587915748.db2.gz XOAUKIZJJNEUSL-FSDSQADBSA-N 0 1 201.178 0.172 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000840670544 587915804 /nfs/dbraw/zinc/91/58/04/587915804.db2.gz ICDMCJOYLQZCRB-HTQZYQBOSA-N 0 1 227.216 0.564 20 5 BCBDMN O=C(OC[C@@H]1CCC[C@@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675279 587916157 /nfs/dbraw/zinc/91/61/57/587916157.db2.gz WJGDHTSCYFAKJU-ZYUZMQFOSA-N 0 1 243.259 0.746 20 5 BCBDMN Cc1nn(C)cc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674224 587916248 /nfs/dbraw/zinc/91/62/48/587916248.db2.gz HWZNBJARBWRUJE-RKDXNWHRSA-N 0 1 239.231 0.437 20 5 BCBDMN O=C(OCCCn1ccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673496 587916269 /nfs/dbraw/zinc/91/62/69/587916269.db2.gz QHOYOPOBYYZLED-RKDXNWHRSA-N 0 1 239.231 0.482 20 5 BCBDMN CO[C@H]1CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841220237 587949203 /nfs/dbraw/zinc/94/92/03/587949203.db2.gz LBMZHKPTSYWQMD-RBXMUDONSA-N 0 1 229.232 0.762 20 5 BCBDMN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC000841230369 587949635 /nfs/dbraw/zinc/94/96/35/587949635.db2.gz KGJTXXFCLSLQGP-HTQZYQBOSA-N 0 1 237.215 0.694 20 5 BCBDMN CCOC(=O)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842296642 588015318 /nfs/dbraw/zinc/01/53/18/588015318.db2.gz YJCWIDPQGWKNTF-RNFRBKRXSA-N 0 1 231.204 0.148 20 5 BCBDMN COC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000842316275 588016735 /nfs/dbraw/zinc/01/67/35/588016735.db2.gz PJEFIRBDCPZHDX-IWSPIJDZSA-N 0 1 231.248 0.866 20 5 BCBDMN C[C@@]1(OC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000842353269 588020705 /nfs/dbraw/zinc/02/07/05/588020705.db2.gz GWCFMUCOWSCUAO-ZXFLCMHBSA-N 0 1 215.205 0.374 20 5 BCBDMN CO[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842368026 588021698 /nfs/dbraw/zinc/02/16/98/588021698.db2.gz PHTFIHVXEKNGCG-IWSPIJDZSA-N 0 1 229.232 0.620 20 5 BCBDMN C[C@@H]1COCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842372109 588022047 /nfs/dbraw/zinc/02/20/47/588022047.db2.gz MHWSRZAOWPYMEN-FNCVBFRFSA-N 0 1 229.232 0.620 20 5 BCBDMN O=C(OC[C@@H]1CC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842369537 588022123 /nfs/dbraw/zinc/02/21/23/588022123.db2.gz KJTJAHJLJCIVHP-KVQBGUIXSA-N 0 1 221.159 0.850 20 5 BCBDMN C[C@@H](Cc1ccccn1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847201929 588309283 /nfs/dbraw/zinc/30/92/83/588309283.db2.gz HTVQMODHHORNCW-JMJZKYOTSA-N 0 1 249.270 0.794 20 5 BCBDMN CCC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OCC ZINC000862416323 589211358 /nfs/dbraw/zinc/21/13/58/589211358.db2.gz PGTAHMILNQAECS-IVZWLZJFSA-N 0 1 244.291 0.973 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)C1CC1 ZINC000862852059 589243671 /nfs/dbraw/zinc/24/36/71/589243671.db2.gz IDFVYFVYXFBAIV-RKDXNWHRSA-N 0 1 210.233 0.805 20 5 BCBDMN CNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870862565 589691799 /nfs/dbraw/zinc/69/17/99/589691799.db2.gz VIGBZRRSBZLYLY-SNVBAGLBSA-N 0 1 223.232 0.515 20 5 BCBDMN COCC1(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000874941811 590157180 /nfs/dbraw/zinc/15/71/80/590157180.db2.gz RJQAXLBACVOVAY-RKDXNWHRSA-N 0 1 242.275 0.679 20 5 BCBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]1CO ZINC000934012057 631586501 /nfs/dbraw/zinc/58/65/01/631586501.db2.gz OWXWPRPXZUXHJF-VIFPVBQESA-N 0 1 238.243 0.867 20 5 BCBDMN O=[N+]([O-])CCNCc1cccnc1-n1ccnc1 ZINC000905040935 637559555 /nfs/dbraw/zinc/55/95/55/637559555.db2.gz ONPPDDPEALUESD-UHFFFAOYSA-N 0 1 247.258 0.634 20 5 BCBDMN O=C(NCCNCC[N+](=O)[O-])c1ccccc1 ZINC000905028290 637576016 /nfs/dbraw/zinc/57/60/16/637576016.db2.gz ZWIYMPGNQNNVPN-UHFFFAOYSA-N 0 1 237.259 0.283 20 5 BCBDMN NC(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905028313 637576978 /nfs/dbraw/zinc/57/69/78/637576978.db2.gz ZECPRKLPKUELMZ-UHFFFAOYSA-N 0 1 223.232 0.152 20 5 BCBDMN O=[N+]([O-])CCNCCc1nccs1 ZINC000905079115 637579423 /nfs/dbraw/zinc/57/94/23/637579423.db2.gz FHGCFUBORNLNND-UHFFFAOYSA-N 0 1 201.251 0.552 20 5 BCBDMN O=[N+]([O-])CCNC[C@H]1COC2(CCCC2)O1 ZINC000905198919 637691569 /nfs/dbraw/zinc/69/15/69/637691569.db2.gz CPPSQKSGKLYFGY-VIFPVBQESA-N 0 1 230.264 0.538 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H]1COC2(CCCCC2)O1 ZINC000905199607 637694619 /nfs/dbraw/zinc/69/46/19/637694619.db2.gz HWBCIMRVMNYIMQ-SNVBAGLBSA-N 0 1 244.291 0.929 20 5 BCBDMN O=[N+]([O-])CCN[C@H](CO)Cc1ccccc1 ZINC000905349708 637769775 /nfs/dbraw/zinc/76/97/75/637769775.db2.gz MHJBKTSYQZSFJE-NSHDSACASA-N 0 1 224.260 0.456 20 5 BCBDMN Cc1ccccc1C[C@@H](CO)NCC[N+](=O)[O-] ZINC000905357449 637776948 /nfs/dbraw/zinc/77/69/48/637776948.db2.gz LPJMEUXPDXDQQL-LBPRGKRZSA-N 0 1 238.287 0.765 20 5 BCBDMN CCOC(=O)C1=CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905384999 637784264 /nfs/dbraw/zinc/78/42/64/637784264.db2.gz MWGYDMSBTFJJPO-VIFPVBQESA-N 0 1 228.248 0.505 20 5 BCBDMN 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ZLSDJEAXVBVUSP-ZETCQYMHSA-N 0 1 242.235 0.196 20 5 BCBDMN O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)cn1 ZINC000080590441 135383503 /nfs/dbraw/zinc/38/35/03/135383503.db2.gz PFXLJTCGICEEDJ-UHFFFAOYSA-N 0 1 234.219 0.763 20 5 BCBDMN CC(C)OCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000185207370 167242680 /nfs/dbraw/zinc/24/26/80/167242680.db2.gz HRHVHKAQEQAHJS-UHFFFAOYSA-N 0 1 242.235 0.473 20 5 BCBDMN O=[N+]([O-])c1ccc(NCc2nn[nH]n2)c(F)c1 ZINC000044931670 411142464 /nfs/dbraw/zinc/14/24/64/411142464.db2.gz IWRQMIXZMQONEA-UHFFFAOYSA-N 0 1 238.182 0.859 20 5 BCBDMN CCOCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159270371 170379263 /nfs/dbraw/zinc/37/92/63/170379263.db2.gz CYKDGXHYWGINHM-UHFFFAOYSA-N 0 1 242.235 0.474 20 5 BCBDMN CC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000158824657 171338390 /nfs/dbraw/zinc/33/83/90/171338390.db2.gz TVBPVSBQPKTLFA-YFKPBYRVSA-N 0 1 212.209 0.846 20 5 BCBDMN C[C@@H]1CCOCCN1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000367667548 176187826 /nfs/dbraw/zinc/18/78/26/176187826.db2.gz XETVGNORUSWPQX-HRDYMLBCSA-N 0 1 228.248 0.289 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCCO1 ZINC000368910198 176259261 /nfs/dbraw/zinc/25/92/61/176259261.db2.gz PFDRUGHFVDJQKA-HRDYMLBCSA-N 0 1 228.248 0.289 20 5 BCBDMN CCC1(O)CCN(CC[N+](=O)[O-])CC1 ZINC000929722108 646272867 /nfs/dbraw/zinc/27/28/67/646272867.db2.gz JAKXNJPINUWHLQ-UHFFFAOYSA-N 0 1 202.254 0.500 20 5 BCBDMN O=[N+]([O-])c1cn(CCc2c[nH]nn2)cn1 ZINC000569744290 323039481 /nfs/dbraw/zinc/03/94/81/323039481.db2.gz IFZLYVGIIFRBMC-UHFFFAOYSA-N 0 1 208.181 0.152 20 5 BCBDMN CNC(=O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418406 323123818 /nfs/dbraw/zinc/12/38/18/323123818.db2.gz OZGUZEPDWSMMQP-SNVBAGLBSA-N 0 1 249.270 0.918 20 5 BCBDMN O=[N+]([O-])c1ccnn1CCc1c[nH]nn1 ZINC000571539463 323147661 /nfs/dbraw/zinc/14/76/61/323147661.db2.gz XOTIFKCXODHFJT-UHFFFAOYSA-N 0 1 208.181 0.152 20 5 BCBDMN O=C(N[C@@H]1COC[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000891035320 582598309 /nfs/dbraw/zinc/59/83/09/582598309.db2.gz ASEJLCIEOQTGTO-ZYUZMQFOSA-N 0 1 240.259 0.193 20 5 BCBDMN O=C(N[C@@H]1COC2(CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000855657656 588843980 /nfs/dbraw/zinc/84/39/80/588843980.db2.gz UNFYERGWNXHRDQ-DJLDLDEBSA-N 0 1 240.259 0.479 20 5 BCBDMN C[C@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840554850 582858794 /nfs/dbraw/zinc/85/87/94/582858794.db2.gz DDBIGHDLRQPQBV-SGIHWFKDSA-N 0 1 242.275 0.271 20 5 BCBDMN C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840554851 582858917 /nfs/dbraw/zinc/85/89/17/582858917.db2.gz DDBIGHDLRQPQBV-UTINFBMNSA-N 0 1 242.275 0.271 20 5 BCBDMN CC1(C)OCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856263994 588865633 /nfs/dbraw/zinc/86/56/33/588865633.db2.gz QPLYXXLRIZXYEO-DJLDLDEBSA-N 0 1 242.275 0.583 20 5 BCBDMN O=C(OCCc1ccns1)[C@@H]1CC1[N+](=O)[O-] ZINC000893369933 583129085 /nfs/dbraw/zinc/12/90/85/583129085.db2.gz GLZGRDXYNQVQMJ-HTQZYQBOSA-N 0 1 242.256 0.894 20 5 BCBDMN CC[C@@H](C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670150 583393586 /nfs/dbraw/zinc/39/35/86/583393586.db2.gz BTRFUCGRRGVWQN-BWZBUEFSSA-N 0 1 229.232 0.810 20 5 BCBDMN CCOC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670606 583403809 /nfs/dbraw/zinc/40/38/09/583403809.db2.gz JJEGUIMAMJJUTC-RRKCRQDMSA-N 0 1 231.204 0.146 20 5 BCBDMN COC(=O)/C(C)=C\COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671700 583407540 /nfs/dbraw/zinc/40/75/40/583407540.db2.gz ZKBPQWHPKISPIO-NAYHLWOXSA-N 0 1 243.215 0.314 20 5 BCBDMN CCc1cnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000840671555 583407621 /nfs/dbraw/zinc/40/76/21/583407621.db2.gz WZCSRJUWZQCZOB-HTQZYQBOSA-N 0 1 240.215 0.945 20 5 BCBDMN CC(C)OCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673073 583421196 /nfs/dbraw/zinc/42/11/96/583421196.db2.gz YNHXKDWFCBSMNU-HTQZYQBOSA-N 0 1 217.221 0.620 20 5 BCBDMN COC[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673317 583422850 /nfs/dbraw/zinc/42/28/50/583422850.db2.gz KAFMABCUYDZIKK-FSDSQADBSA-N 0 1 203.194 0.230 20 5 BCBDMN CNC(=O)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000749049872 583578936 /nfs/dbraw/zinc/57/89/36/583578936.db2.gz PUPCDGQZJGGKIY-UHFFFAOYSA-N 0 1 241.203 0.216 20 5 BCBDMN CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862863789 583971773 /nfs/dbraw/zinc/97/17/73/583971773.db2.gz QAEFYFZKBHCFOC-DQUBFYRCSA-N 0 1 228.248 0.335 20 5 BCBDMN O=[N+]([O-])CCNC[C@H]1COc2ccccc2O1 ZINC000899861224 584242516 /nfs/dbraw/zinc/24/25/16/584242516.db2.gz XZLCAXFMQKKGMW-VIFPVBQESA-N 0 1 238.243 0.693 20 5 BCBDMN O=C(CCNCC[N+](=O)[O-])N1CCCCC1 ZINC000899871871 584244497 /nfs/dbraw/zinc/24/44/97/584244497.db2.gz UQLOQFNJMDPUPK-UHFFFAOYSA-N 0 1 229.280 0.255 20 5 BCBDMN COCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620196 585332214 /nfs/dbraw/zinc/33/22/14/585332214.db2.gz JLOKYZOLIZVING-BWZBUEFSSA-N 0 1 216.237 0.193 20 5 BCBDMN C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839658020 585333673 /nfs/dbraw/zinc/33/36/73/585333673.db2.gz KABUVGQLVJCEKZ-JQCXWYLXSA-N 0 1 212.249 0.956 20 5 BCBDMN CCCOC(=O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839664926 585334426 /nfs/dbraw/zinc/33/44/26/585334426.db2.gz WZOIFFYXDIGKMM-HTQZYQBOSA-N 0 1 244.247 0.111 20 5 BCBDMN CO[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839643175 585334983 /nfs/dbraw/zinc/33/49/83/585334983.db2.gz DLPFCEZRNIKVFI-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839640370 585335114 /nfs/dbraw/zinc/33/51/14/585335114.db2.gz PFDRUGHFVDJQKA-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN O=C(NCC1(O)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839691582 585335208 /nfs/dbraw/zinc/33/52/08/585335208.db2.gz KPBPHVIQZSNKIQ-HTQZYQBOSA-N 0 1 228.248 0.073 20 5 BCBDMN COC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691156 585335300 /nfs/dbraw/zinc/33/53/00/585335300.db2.gz GPIAAEILXXSGAT-RNFRBKRXSA-N 0 1 216.237 0.193 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1C ZINC000839697158 585335535 /nfs/dbraw/zinc/33/55/35/585335535.db2.gz RRPOSLDRILYPQR-RBXMUDONSA-N 0 1 212.249 0.766 20 5 BCBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839693543 585335622 /nfs/dbraw/zinc/33/56/22/585335622.db2.gz DACRXMMBFXIXOS-IWSPIJDZSA-N 0 1 244.291 0.829 20 5 BCBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)C ZINC000839693542 585335747 /nfs/dbraw/zinc/33/57/47/585335747.db2.gz DACRXMMBFXIXOS-HLTSFMKQSA-N 0 1 244.291 0.829 20 5 BCBDMN C[C@@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839702306 585335829 /nfs/dbraw/zinc/33/58/29/585335829.db2.gz WWLOGWPOPZMHMX-MRTMQBJTSA-N 0 1 228.248 0.337 20 5 BCBDMN CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700128 585335917 /nfs/dbraw/zinc/33/59/17/585335917.db2.gz QGBTUUNWPISVFP-ZYUZMQFOSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C(NC[C@H]1CCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000839700788 585335921 /nfs/dbraw/zinc/33/59/21/585335921.db2.gz KEFRUCKQVPJPML-BWZBUEFSSA-N 0 1 230.289 0.663 20 5 BCBDMN CCC(CC)[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681330 585337042 /nfs/dbraw/zinc/33/70/42/585337042.db2.gz RHQYYMPISBTKIW-OPRDCNLKSA-N 0 1 244.291 0.565 20 5 BCBDMN COC[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680812 585337169 /nfs/dbraw/zinc/33/71/69/585337169.db2.gz KURXRRUZTPGLLW-IVZWLZJFSA-N 0 1 242.275 0.537 20 5 BCBDMN CO[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@H]1C ZINC000839733184 585337244 /nfs/dbraw/zinc/33/72/44/585337244.db2.gz IWXFOBWPJJZPIK-ZYUZMQFOSA-N 0 1 242.275 0.535 20 5 BCBDMN C[C@@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703878 585337489 /nfs/dbraw/zinc/33/74/89/585337489.db2.gz PQYIZTFWMIIMGE-AXTSPUMRSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839705575 585337863 /nfs/dbraw/zinc/33/78/63/585337863.db2.gz LHECCFGHHOBRJM-BZNPZCIMSA-N 0 1 228.248 0.287 20 5 BCBDMN O=C(N[C@@H]1CCC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839705665 585337868 /nfs/dbraw/zinc/33/78/68/585337868.db2.gz IEJYZLSBGZGBHW-FSDSQADBSA-N 0 1 234.202 0.956 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839713827 585337932 /nfs/dbraw/zinc/33/79/32/585337932.db2.gz WUYOFNJYZXWQLM-NBEYISGCSA-N 0 1 212.249 0.956 20 5 BCBDMN CC(C)C[C@H](CO)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728058 585338946 /nfs/dbraw/zinc/33/89/46/585338946.db2.gz IQMOORYACVKFGP-OPRDCNLKSA-N 0 1 244.291 0.517 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2C[C@H]21 ZINC000839764172 585339109 /nfs/dbraw/zinc/33/91/09/585339109.db2.gz YLZZHRQSCSQQES-JQCXWYLXSA-N 0 1 210.233 0.663 20 5 BCBDMN C[C@@H]1COCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762884 585339186 /nfs/dbraw/zinc/33/91/86/585339186.db2.gz VIXUAAKCLJNUHJ-UTINFBMNSA-N 0 1 242.275 0.440 20 5 BCBDMN CSCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839753428 585340413 /nfs/dbraw/zinc/34/04/13/585340413.db2.gz FEJUCTATPKAHNT-HTQZYQBOSA-N 0 1 232.305 0.863 20 5 BCBDMN CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)C1 ZINC000839758117 585340548 /nfs/dbraw/zinc/34/05/48/585340548.db2.gz QGSPHDJYMKHFKH-SGIHWFKDSA-N 0 1 242.275 0.678 20 5 BCBDMN CCSCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839758405 585340660 /nfs/dbraw/zinc/34/06/60/585340660.db2.gz UBUBREXDQBFZBY-HTQZYQBOSA-N 0 1 232.305 0.911 20 5 BCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000839775187 585341244 /nfs/dbraw/zinc/34/12/44/585341244.db2.gz SNFVUWAPQDYGKO-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777848 585341542 /nfs/dbraw/zinc/34/15/42/585341542.db2.gz FIAKSSSVKAUAAW-CDLYGTGVSA-N 0 1 242.275 0.319 20 5 BCBDMN CONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769475836 585558002 /nfs/dbraw/zinc/55/80/02/585558002.db2.gz WEFODASBGIBRKW-UHFFFAOYSA-N 0 1 212.161 0.592 20 5 BCBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1c[nH]nn1 ZINC000789928651 585953939 /nfs/dbraw/zinc/95/39/39/585953939.db2.gz WZQPCFAGJWIYIA-UHFFFAOYSA-N 0 1 247.214 0.894 20 5 BCBDMN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1 ZINC000839836023 586131236 /nfs/dbraw/zinc/13/12/36/586131236.db2.gz OLZGZKSQHNLCFV-ULAWRXDQSA-N 0 1 230.289 0.662 20 5 BCBDMN O=C(NOC/C=C\Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000812403527 586575901 /nfs/dbraw/zinc/57/59/01/586575901.db2.gz OIAABPBJLYGRST-UPHRSURJSA-N 0 1 246.610 0.732 20 5 BCBDMN O=C(NOC1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000812790910 586585303 /nfs/dbraw/zinc/58/53/03/586585303.db2.gz BXDFAPWTDXHLPX-UHFFFAOYSA-N 0 1 226.192 0.532 20 5 BCBDMN CO[C@@H](C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840361544 586894008 /nfs/dbraw/zinc/89/40/08/586894008.db2.gz YNPATQFVYCLQSV-IVZWLZJFSA-N 0 1 244.291 0.924 20 5 BCBDMN C[C@@H]1CN=C(NC(=O)[C@@H]2CC2[N+](=O)[O-])S1 ZINC000819783580 586994861 /nfs/dbraw/zinc/99/48/61/586994861.db2.gz IUNCAQCQSAUHEG-HSUXUTPPSA-N 0 1 229.261 0.259 20 5 BCBDMN CC(C)(O)C(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409633 587097452 /nfs/dbraw/zinc/09/74/52/587097452.db2.gz NWXXHJUHOQDXDK-RNFRBKRXSA-N 0 1 230.264 0.317 20 5 BCBDMN C[C@@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840412312 587099342 /nfs/dbraw/zinc/09/93/42/587099342.db2.gz STEYZASZWIOTOK-DOLQZWNJSA-N 0 1 242.275 0.414 20 5 BCBDMN CCC[C@](C)(CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840415029 587100502 /nfs/dbraw/zinc/10/05/02/587100502.db2.gz SZIZLCAVZLQBHQ-NQMVMOMDSA-N 0 1 230.264 0.319 20 5 BCBDMN C[C@@]1(CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840416999 587100515 /nfs/dbraw/zinc/10/05/15/587100515.db2.gz FFGLMMPXYFUHIF-MRTMQBJTSA-N 0 1 228.248 0.025 20 5 BCBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)O ZINC000840434780 587102887 /nfs/dbraw/zinc/10/28/87/587102887.db2.gz AHRDAAZHPBXROK-HLTSFMKQSA-N 0 1 244.291 0.563 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)O ZINC000840463390 587105847 /nfs/dbraw/zinc/10/58/47/587105847.db2.gz DNYNAXLDWXNPRP-BWZBUEFSSA-N 0 1 230.264 0.317 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnccn1 ZINC000824238826 587262478 /nfs/dbraw/zinc/26/24/78/587262478.db2.gz IRKNEKQPJBZDFG-ZXFLCMHBSA-N 0 1 236.231 0.319 20 5 BCBDMN CC(=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000832264090 587652521 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588015043 /nfs/dbraw/zinc/01/50/43/588015043.db2.gz QERUFABEJJSRBV-HTQZYQBOSA-N 0 1 211.173 0.988 20 5 BCBDMN C[C@@H]1OCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842341226 588019735 /nfs/dbraw/zinc/01/97/35/588019735.db2.gz WGOUPUZHAPVVJI-OSMVPFSASA-N 0 1 215.205 0.372 20 5 BCBDMN C[C@@H](CC(C)(C)O)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842354910 588020988 /nfs/dbraw/zinc/02/09/88/588020988.db2.gz ADUDQGIYOLUZAK-XLPZGREQSA-N 0 1 231.248 0.744 20 5 BCBDMN CC(=O)C(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842372565 588022346 /nfs/dbraw/zinc/02/23/46/588022346.db2.gz OKPWLTSIJRAZQI-HTQZYQBOSA-N 0 1 229.232 0.810 20 5 BCBDMN C[C@H]1SCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843741147 588135961 /nfs/dbraw/zinc/13/59/61/588135961.db2.gz BZXWVUARRXFAEV-WCTZXXKLSA-N 0 1 230.289 0.662 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2OCC[C@@H]2C1 ZINC000843973454 588152715 /nfs/dbraw/zinc/15/27/15/588152715.db2.gz BLIWDBOJUVKKFQ-KYXWUPHJSA-N 0 1 240.259 0.289 20 5 BCBDMN 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COC[C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000179633834 385003983 /nfs/dbraw/zinc/00/39/83/385003983.db2.gz QRZPFAKNQIRVAL-ZCFIWIBFSA-N 0 1 242.235 0.330 20 5 BCBDMN Cc1cc(=O)n(CCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000516705486 385139494 /nfs/dbraw/zinc/13/94/94/385139494.db2.gz WBTVDPSQZKHXFU-UHFFFAOYSA-N 0 1 249.230 0.426 20 5 BCBDMN Cc1cc(=O)n(CCc2cnn[nH]2)cc1[N+](=O)[O-] ZINC000516705486 385139506 /nfs/dbraw/zinc/13/95/06/385139506.db2.gz WBTVDPSQZKHXFU-UHFFFAOYSA-N 0 1 249.230 0.426 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)O2 ZINC000374092199 385090960 /nfs/dbraw/zinc/09/09/60/385090960.db2.gz INCZMLMFDVAXSE-XAVMHZPKSA-N 0 1 226.232 0.041 20 5 BCBDMN CC(C)[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159997965 385874309 /nfs/dbraw/zinc/87/43/09/385874309.db2.gz NPASUDLTTVXODT-SSDOTTSWSA-N 0 1 242.235 0.065 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@]12CCOC2 ZINC000367641542 386684904 /nfs/dbraw/zinc/68/49/04/386684904.db2.gz DMYNTHMVAKNLEW-FXPVBKGRSA-N 0 1 240.259 0.433 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCOCC12CCC2 ZINC000370909731 387912398 /nfs/dbraw/zinc/91/23/98/387912398.db2.gz UYNPILUHFVNPIE-IUCAKERBSA-N 0 1 240.259 0.433 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@](O)(C2CC2)C1 ZINC000373256588 388225426 /nfs/dbraw/zinc/22/54/26/388225426.db2.gz OSFFQFOBGBCAFZ-FXPVBKGRSA-N 0 1 240.259 0.025 20 5 BCBDMN CC[C@H](O)CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270697362 388366077 /nfs/dbraw/zinc/36/60/77/388366077.db2.gz APZBGSXQCWQNCA-LURJTMIESA-N 0 1 242.235 0.209 20 5 BCBDMN CCC[C@H](O)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270892095 388368033 /nfs/dbraw/zinc/36/80/33/388368033.db2.gz QNFXZUTYUBBYSH-LURJTMIESA-N 0 1 242.235 0.209 20 5 BCBDMN O=C(N[C@@H]1CC12CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000424961601 388699194 /nfs/dbraw/zinc/69/91/94/388699194.db2.gz BGTZMGCVVFTVGL-ZCFIWIBFSA-N 0 1 222.204 0.600 20 5 BCBDMN O=[N+]([O-])c1cnc(NCCCc2nc[nH]n2)nc1 ZINC000080589064 388712605 /nfs/dbraw/zinc/71/26/05/388712605.db2.gz YQRGVAVOGXSIJH-UHFFFAOYSA-N 0 1 249.234 0.548 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000377283612 388724291 /nfs/dbraw/zinc/72/42/91/388724291.db2.gz SDBOBRVBEYMLES-KYXWUPHJSA-N 0 1 240.259 0.432 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000368910197 176256283 /nfs/dbraw/zinc/25/62/83/176256283.db2.gz PFDRUGHFVDJQKA-HLTSFMKQSA-N 0 1 228.248 0.289 20 5 BCBDMN O=C(N[C@H]1C[C@@H]1C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000345846300 490104376 /nfs/dbraw/zinc/10/43/76/490104376.db2.gz TWLRWJXFYRQZRN-IMJSIDKUSA-N 0 1 246.173 0.701 20 5 BCBDMN O=C(N[C@H]1C[C@H]1C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000345846299 490104467 /nfs/dbraw/zinc/10/44/67/490104467.db2.gz TWLRWJXFYRQZRN-DMTCNVIQSA-N 0 1 246.173 0.701 20 5 BCBDMN CCOCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136482927 490564464 /nfs/dbraw/zinc/56/44/64/490564464.db2.gz AZWKOJKLNPNERL-UHFFFAOYSA-N 0 1 228.208 0.084 20 5 BCBDMN COCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343126638 536882516 /nfs/dbraw/zinc/88/25/16/536882516.db2.gz DIQPLEBYVKBIJQ-UHFFFAOYSA-N 0 1 242.235 0.474 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]1C(F)(F)F ZINC000854518131 588790011 /nfs/dbraw/zinc/79/00/11/588790011.db2.gz KTURETFSFHTYNL-PBXRRBTRSA-N 0 1 238.165 0.815 20 5 BCBDMN COC1CC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000855167858 588824815 /nfs/dbraw/zinc/82/48/15/588824815.db2.gz RNEJJHXUZRIGLM-YDYPAMBWSA-N 0 1 242.275 0.583 20 5 BCBDMN O=C(Nc1cnnc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000891223055 582636057 /nfs/dbraw/zinc/63/60/57/582636057.db2.gz WJXIOIWHYSDMDI-PHDIDXHHSA-N 0 1 242.622 0.734 20 5 BCBDMN CC(C)(C)OCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855702089 588845526 /nfs/dbraw/zinc/84/55/26/588845526.db2.gz SCYDVJVHLKHAOW-RKDXNWHRSA-N 0 1 244.291 0.973 20 5 BCBDMN C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000855794371 588848363 /nfs/dbraw/zinc/84/83/63/588848363.db2.gz FFSIJTJQCXDKCZ-UTINFBMNSA-N 0 1 242.275 0.725 20 5 BCBDMN C[C@H](O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855864530 588851936 /nfs/dbraw/zinc/85/19/36/588851936.db2.gz DDWBCZFVNTUEIK-JQCXWYLXSA-N 0 1 228.248 0.023 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]1(C)CO ZINC000856246431 588865284 /nfs/dbraw/zinc/86/52/84/588865284.db2.gz VUIDKEGONXSPBP-TURQNECASA-N 0 1 242.275 0.129 20 5 BCBDMN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000814041493 583337704 /nfs/dbraw/zinc/33/77/04/583337704.db2.gz AIJRNALEVPFOFC-RXMQYKEDSA-N 0 1 243.175 0.745 20 5 BCBDMN CCOCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671702 583407472 /nfs/dbraw/zinc/40/74/72/583407472.db2.gz ZLIAVEOXBFNQRS-HTQZYQBOSA-N 0 1 217.221 0.621 20 5 BCBDMN CCCCOC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673082 583420978 /nfs/dbraw/zinc/42/09/78/583420978.db2.gz YOZMXPJQFUABIK-HTQZYQBOSA-N 0 1 245.231 0.538 20 5 BCBDMN COCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673342 583422742 /nfs/dbraw/zinc/42/27/42/583422742.db2.gz LAWCSIRCXRMWHI-HTQZYQBOSA-N 0 1 217.221 0.621 20 5 BCBDMN C[C@H]1CC[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000840673349 583423090 /nfs/dbraw/zinc/42/30/90/583423090.db2.gz LMIANLGRLLDRNX-JQCXWYLXSA-N 0 1 229.232 0.762 20 5 BCBDMN COc1cncc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000869758156 583902557 /nfs/dbraw/zinc/90/25/57/583902557.db2.gz ILYPPFYEJISQNC-RKDXNWHRSA-N 0 1 237.215 0.694 20 5 BCBDMN Cc1nn(C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000898597009 584144488 /nfs/dbraw/zinc/14/44/88/584144488.db2.gz STOPCDKYRBXENX-HTRCEHHLSA-N 0 1 224.220 0.332 20 5 BCBDMN O=[N+]([O-])CCNC[C@]12OCCC[C@H]1C2(F)F ZINC000899892927 584249038 /nfs/dbraw/zinc/24/90/38/584249038.db2.gz QCGZNPQJWMWDLG-SFYZADRCSA-N 0 1 236.218 0.667 20 5 BCBDMN O=[N+]([O-])c1cnn(Cc2[nH]nc3c2COCC3)c1 ZINC000901456958 584450205 /nfs/dbraw/zinc/45/02/05/584450205.db2.gz QZSFSJWHDPXWGH-UHFFFAOYSA-N 0 1 249.230 0.635 20 5 BCBDMN O=C(O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000730402725 584910590 /nfs/dbraw/zinc/91/05/90/584910590.db2.gz VKLDLRJJGGLRGL-ZCFIWIBFSA-N 0 1 226.188 0.869 20 5 BCBDMN O=C(Nc1cccc(O)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839471690 585105133 /nfs/dbraw/zinc/10/51/33/585105133.db2.gz XZHKZHVLAHGROW-RKDXNWHRSA-N 0 1 222.200 0.996 20 5 BCBDMN CN(C[C@H]1CCCCO1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839570937 585330532 /nfs/dbraw/zinc/33/05/32/585330532.db2.gz LJNGRCJJCGXDIE-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN COCC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620197 585332482 /nfs/dbraw/zinc/33/24/82/585332482.db2.gz JLOKYZOLIZVING-XLPZGREQSA-N 0 1 216.237 0.193 20 5 BCBDMN CCCC[C@@H](COC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839685751 585335258 /nfs/dbraw/zinc/33/52/58/585335258.db2.gz HWAILWCZNDKCSD-IVZWLZJFSA-N 0 1 244.291 0.973 20 5 BCBDMN CC[C@@H](C)[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689070 585335400 /nfs/dbraw/zinc/33/54/00/585335400.db2.gz ZRQPDOZOKSUCAO-CDLYGTGVSA-N 0 1 244.291 0.565 20 5 BCBDMN COC[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839697354 585335497 /nfs/dbraw/zinc/33/54/97/585335497.db2.gz FTWKXXVAKDAXHB-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN COC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839692542 585335741 /nfs/dbraw/zinc/33/57/41/585335741.db2.gz UNUPQDPJZFTBQM-HRDYMLBCSA-N 0 1 230.264 0.439 20 5 BCBDMN CC[C@H]1CO[C@@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700122 585335935 /nfs/dbraw/zinc/33/59/35/585335935.db2.gz QGBTUUNWPISVFP-AXTSPUMRSA-N 0 1 242.275 0.678 20 5 BCBDMN CC[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700126 585335969 /nfs/dbraw/zinc/33/59/69/585335969.db2.gz QGBTUUNWPISVFP-UTINFBMNSA-N 0 1 242.275 0.678 20 5 BCBDMN CC1(C)C[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681786 585337221 /nfs/dbraw/zinc/33/72/21/585337221.db2.gz UBZOBGUVCZJYKB-BWZBUEFSSA-N 0 1 212.249 0.814 20 5 BCBDMN CC(C)(C)OC(=O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839682343 585337266 /nfs/dbraw/zinc/33/72/66/585337266.db2.gz CTDMKGBKAAGGDF-RNFRBKRXSA-N 0 1 244.247 0.110 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2ncccc2C1 ZINC000839707945 585337825 /nfs/dbraw/zinc/33/78/25/585337825.db2.gz BTRZAECMTLWDLM-MWLCHTKSSA-N 0 1 247.254 0.632 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC(F)(F)C2 ZINC000839710471 585337830 /nfs/dbraw/zinc/33/78/30/585337830.db2.gz SBYFNOAMLKHYCR-RNFRBKRXSA-N 0 1 246.213 0.909 20 5 BCBDMN O=C(NCC1(CCO)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839710190 585337847 /nfs/dbraw/zinc/33/78/47/585337847.db2.gz WNSSFMJEPSCVHH-RKDXNWHRSA-N 0 1 242.275 0.321 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000839713537 585337944 /nfs/dbraw/zinc/33/79/44/585337944.db2.gz UNJIBCSBKJLMJE-RGOKHQFPSA-N 0 1 242.275 0.725 20 5 BCBDMN O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713132 585338012 /nfs/dbraw/zinc/33/80/12/585338012.db2.gz ULOMPTDSGCWXSQ-XAVMHZPKSA-N 0 1 228.248 0.071 20 5 BCBDMN CC[C@H](C[C@H](C)CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715113 585338098 /nfs/dbraw/zinc/33/80/98/585338098.db2.gz SGYKWQKEZNZQSB-SGIHWFKDSA-N 0 1 244.291 0.565 20 5 BCBDMN CCN(CC(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726899 585338572 /nfs/dbraw/zinc/33/85/72/585338572.db2.gz UCUCYVJCBSKXKC-PHDIDXHHSA-N 0 1 222.191 0.765 20 5 BCBDMN CO[C@H]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719561 585338472 /nfs/dbraw/zinc/33/84/72/585338472.db2.gz SFDKRFFKJYEAFE-JLIMGVALSA-N 0 1 242.275 0.583 20 5 BCBDMN O=C(NCCOCC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725935 585338753 /nfs/dbraw/zinc/33/87/53/585338753.db2.gz QANVPFDPXYSLKK-NXEZZACHSA-N 0 1 242.275 0.585 20 5 BCBDMN CN(CC1(O)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726323 585338766 /nfs/dbraw/zinc/33/87/66/585338766.db2.gz PGJGPRFGEBDGOB-HTQZYQBOSA-N 0 1 228.248 0.025 20 5 BCBDMN C[C@H]1CSC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761538 585338975 /nfs/dbraw/zinc/33/89/75/585338975.db2.gz IUOXXUXWNPIHBB-LXGUWJNJSA-N 0 1 230.289 0.519 20 5 BCBDMN O=C(N[C@@H]1C[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839749617 585340250 /nfs/dbraw/zinc/34/02/50/585340250.db2.gz BBKMDHNGLLWWST-JQCXWYLXSA-N 0 1 210.233 0.566 20 5 BCBDMN Cc1cccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839749940 585340333 /nfs/dbraw/zinc/34/03/33/585340333.db2.gz WTVOGCKDOCUQEP-GHMZBOCLSA-N 0 1 249.270 0.714 20 5 BCBDMN CCOC1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839771366 585340797 /nfs/dbraw/zinc/34/07/97/585340797.db2.gz QUJRZDYHBWUTRW-YDYPAMBWSA-N 0 1 242.275 0.678 20 5 BCBDMN CC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839774522 585341118 /nfs/dbraw/zinc/34/11/18/585341118.db2.gz OOLUJJDTULGUSA-BWZBUEFSSA-N 0 1 216.237 0.193 20 5 BCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000839775190 585341163 /nfs/dbraw/zinc/34/11/63/585341163.db2.gz SNFVUWAPQDYGKO-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN CCC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839775729 585341208 /nfs/dbraw/zinc/34/12/08/585341208.db2.gz WVVDHJCIKUUCSH-HTQZYQBOSA-N 0 1 212.249 0.910 20 5 BCBDMN CC(F)(F)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839778190 585341403 /nfs/dbraw/zinc/34/14/03/585341403.db2.gz NSHXUQYREXNEQV-RFZPGFLSSA-N 0 1 208.164 0.423 20 5 BCBDMN C[C@@H]1CCC[C@@]1(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777851 585341491 /nfs/dbraw/zinc/34/14/91/585341491.db2.gz FIAKSSSVKAUAAW-TURQNECASA-N 0 1 242.275 0.319 20 5 BCBDMN CC1(C)COC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839786110 585341996 /nfs/dbraw/zinc/34/19/96/585341996.db2.gz CJVJMUBNSVRVCK-BWZBUEFSSA-N 0 1 228.248 0.193 20 5 BCBDMN CC(C)O[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839799722 585530955 /nfs/dbraw/zinc/53/09/55/585530955.db2.gz NTBMYFYQZXYGCT-UTINFBMNSA-N 0 1 242.275 0.724 20 5 BCBDMN CCONC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769470934 585557900 /nfs/dbraw/zinc/55/79/00/585557900.db2.gz XLRRAOKODHKLAH-UHFFFAOYSA-N 0 1 226.188 0.982 20 5 BCBDMN O=C(Nc1c[nH]nn1)c1ccccc1[N+](=O)[O-] ZINC000789926185 585953299 /nfs/dbraw/zinc/95/32/99/585953299.db2.gz CDQUBHSTXKWXBV-UHFFFAOYSA-N 0 1 233.187 0.965 20 5 BCBDMN O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])o1 ZINC000789926838 585953400 /nfs/dbraw/zinc/95/34/00/585953400.db2.gz FAQPEFOEVJGWSX-UHFFFAOYSA-N 0 1 223.148 0.558 20 5 BCBDMN O=[N+]([O-])CCN1CCS[C@@H]2COCC[C@@H]21 ZINC000791051960 585972375 /nfs/dbraw/zinc/97/23/75/585972375.db2.gz ISOXNZQGYRACGP-DTWKUNHWSA-N 0 1 232.305 0.469 20 5 BCBDMN O=[N+]([O-])CCN1CCS[C@@H]2COCC[C@H]21 ZINC000791051963 585972493 /nfs/dbraw/zinc/97/24/93/585972493.db2.gz ISOXNZQGYRACGP-RKDXNWHRSA-N 0 1 232.305 0.469 20 5 BCBDMN CC(=O)NCC1CCN(CC[N+](=O)[O-])CC1 ZINC000791051679 585972564 /nfs/dbraw/zinc/97/25/64/585972564.db2.gz HUQZCOXSZVZZLT-UHFFFAOYSA-N 0 1 229.280 0.111 20 5 BCBDMN CN(CC[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000791053884 585973233 /nfs/dbraw/zinc/97/32/33/585973233.db2.gz JOZGMEICASRHFV-MRVPVSSYSA-N 0 1 204.270 0.602 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000839862639 586151563 /nfs/dbraw/zinc/15/15/63/586151563.db2.gz DHZYEBGDVYRQQV-RGOKHQFPSA-N 0 1 244.291 0.563 20 5 BCBDMN COC(=O)CCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000859719689 589056889 /nfs/dbraw/zinc/05/68/89/589056889.db2.gz ASNOMWUQYIZVFX-HTQZYQBOSA-N 0 1 245.231 0.538 20 5 BCBDMN CC(C)[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])N(C)C ZINC000814037212 586612103 /nfs/dbraw/zinc/61/21/03/586612103.db2.gz UJUWXJUPBXUUEF-RKDXNWHRSA-N 0 1 232.280 0.781 20 5 BCBDMN CC(C)[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])N(C)C ZINC000814037210 586612162 /nfs/dbraw/zinc/61/21/62/586612162.db2.gz UJUWXJUPBXUUEF-DTWKUNHWSA-N 0 1 232.280 0.781 20 5 BCBDMN Cn1c(C(=O)Nc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000816317054 586717412 /nfs/dbraw/zinc/71/74/12/586717412.db2.gz HZCQYEBEHJRPKT-UHFFFAOYSA-N 0 1 236.191 0.304 20 5 BCBDMN O=C(NC1(C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840393626 586986756 /nfs/dbraw/zinc/98/67/56/586986756.db2.gz JLYSJSZHQWBPFY-HTQZYQBOSA-N 0 1 210.233 0.710 20 5 BCBDMN CCC[C@@](C)(CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840415027 587100477 /nfs/dbraw/zinc/10/04/77/587100477.db2.gz SZIZLCAVZLQBHQ-MRTMQBJTSA-N 0 1 230.264 0.319 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CCO ZINC000840426778 587101754 /nfs/dbraw/zinc/10/17/54/587101754.db2.gz XNCBWHQWRHUGEH-DJLDLDEBSA-N 0 1 228.248 0.025 20 5 BCBDMN CCC[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840456655 587105053 /nfs/dbraw/zinc/10/50/53/587105053.db2.gz LTRDPFZUZCFLFG-FXPVBKGRSA-N 0 1 242.275 0.727 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)O ZINC000840463392 587105810 /nfs/dbraw/zinc/10/58/10/587105810.db2.gz DNYNAXLDWXNPRP-PRJMDXOYSA-N 0 1 230.264 0.317 20 5 BCBDMN CC(C)C1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840463464 587105884 /nfs/dbraw/zinc/10/58/84/587105884.db2.gz FHSGZGSTRBGSCU-HTQZYQBOSA-N 0 1 212.249 0.956 20 5 BCBDMN CCOCC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840463653 587105966 /nfs/dbraw/zinc/10/59/66/587105966.db2.gz KBINLSUGIZAPQR-HTQZYQBOSA-N 0 1 230.264 0.583 20 5 BCBDMN CC[C@@H]1[C@@H](CO)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840470843 587165347 /nfs/dbraw/zinc/16/53/47/587165347.db2.gz FKHMGKYJDCHYSU-ZYUZMQFOSA-N 0 1 242.275 0.271 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000828901473 587470507 /nfs/dbraw/zinc/47/05/07/587470507.db2.gz YWIDGRQUPMNFIV-LKEWCRSYSA-N 0 1 238.247 0.263 20 5 BCBDMN CCOC(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670456 587915713 /nfs/dbraw/zinc/91/57/13/587915713.db2.gz FYKZQNUAPSKTNJ-HTQZYQBOSA-N 0 1 245.231 0.538 20 5 BCBDMN O=C(OC[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670766 587915857 /nfs/dbraw/zinc/91/58/57/587915857.db2.gz XAFGDIJUANNXIF-IWSPIJDZSA-N 0 1 229.232 0.764 20 5 BCBDMN CC[C@H](C)NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672535 587915875 /nfs/dbraw/zinc/91/58/75/587915875.db2.gz SSCCDIXUCAVNOM-XLPZGREQSA-N 0 1 244.247 0.110 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC000840672553 587915884 /nfs/dbraw/zinc/91/58/84/587915884.db2.gz BFBFRXZZIIDWQU-QWWZWVQMSA-N 0 1 223.131 0.029 20 5 BCBDMN CCC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673161 587915933 /nfs/dbraw/zinc/91/59/33/587915933.db2.gz RXXXVESDQMDTNB-FSDSQADBSA-N 0 1 215.205 0.562 20 5 BCBDMN CCC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673162 587916162 /nfs/dbraw/zinc/91/61/62/587916162.db2.gz RXXXVESDQMDTNB-RRKCRQDMSA-N 0 1 215.205 0.562 20 5 BCBDMN Cc1nonc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840674123 587916209 /nfs/dbraw/zinc/91/62/09/587916209.db2.gz HRGDISUROSZVPX-IYSWYEEDSA-N 0 1 227.176 0.086 20 5 BCBDMN C=COCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842332350 588018758 /nfs/dbraw/zinc/01/87/58/588018758.db2.gz TVRZAJKHNOLKBJ-RNFRBKRXSA-N 0 1 201.178 0.355 20 5 BCBDMN COC[C@@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335763 588019117 /nfs/dbraw/zinc/01/91/17/588019117.db2.gz FRYDXLVJCQRZNK-BWZBUEFSSA-N 0 1 217.221 0.477 20 5 BCBDMN COC[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842335764 588019130 /nfs/dbraw/zinc/01/91/30/588019130.db2.gz FRYDXLVJCQRZNK-XLPZGREQSA-N 0 1 217.221 0.477 20 5 BCBDMN CC1(C)COC(=O)[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842347462 588020640 /nfs/dbraw/zinc/02/06/40/588020640.db2.gz GHVFJBSNLHDLOC-FSDSQADBSA-N 0 1 243.215 0.146 20 5 BCBDMN CO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842361725 588021337 /nfs/dbraw/zinc/02/13/37/588021337.db2.gz XFRCQDKGAODOHQ-ULAWRXDQSA-N 0 1 215.205 0.372 20 5 BCBDMN O=C(OC[C@@]1(F)CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842361968 588021463 /nfs/dbraw/zinc/02/14/63/588021463.db2.gz OTYBDBCXXZSIDJ-ZXFLCMHBSA-N 0 1 233.195 0.323 20 5 BCBDMN Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000844009856 588155565 /nfs/dbraw/zinc/15/55/65/588155565.db2.gz HFIIMCWLMMCUQD-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC=CC1 ZINC000847154630 588307868 /nfs/dbraw/zinc/30/78/68/588307868.db2.gz GXLDDXWPMZFKSU-HTQZYQBOSA-N 0 1 210.233 0.877 20 5 BCBDMN CC1(C)OC[C@H]2C[C@]21NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862689131 589232333 /nfs/dbraw/zinc/23/23/33/589232333.db2.gz KWDPHJLNNIOPQJ-NKIIXMILSA-N 0 1 240.259 0.335 20 5 BCBDMN O=C(Nc1cnn(CCF)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862811218 589242204 /nfs/dbraw/zinc/24/22/04/589242204.db2.gz DNHHGAQWUMAODF-HTQZYQBOSA-N 0 1 242.210 0.456 20 5 BCBDMN CCC(F)(F)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862899359 589246292 /nfs/dbraw/zinc/24/62/92/589246292.db2.gz IECDJFZXYBKCQH-PHDIDXHHSA-N 0 1 222.191 0.813 20 5 BCBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863000664 589250860 /nfs/dbraw/zinc/25/08/60/589250860.db2.gz ZDAPZACQFJSAQJ-AFNXEJLXSA-N 0 1 242.275 0.580 20 5 BCBDMN CCNC(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000867952753 589541588 /nfs/dbraw/zinc/54/15/88/589541588.db2.gz FAUIDUDDNMPLCV-LLVKDONJSA-N 0 1 237.259 0.905 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1C(F)F ZINC000868609693 589567684 /nfs/dbraw/zinc/56/76/84/589567684.db2.gz OCVASYLTWLJCHH-HSUXUTPPSA-N 0 1 220.175 0.518 20 5 BCBDMN O=C(N[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000871209186 589746285 /nfs/dbraw/zinc/74/62/85/589746285.db2.gz KFFPCQQLMFSHFE-KVTDHHQDSA-N 0 1 238.165 0.719 20 5 BCBDMN O=C(N[C@@H]1CC12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000874776770 590129024 /nfs/dbraw/zinc/12/90/24/590129024.db2.gz GALCTMKPYUNFDW-BWZBUEFSSA-N 0 1 210.233 0.710 20 5 BCBDMN O=C(NC[C@H]1C=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000881498505 591220949 /nfs/dbraw/zinc/22/09/49/591220949.db2.gz JVTJIVYMHCCKRW-DJLDLDEBSA-N 0 1 210.233 0.734 20 5 BCBDMN CCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909358296 634496135 /nfs/dbraw/zinc/49/61/35/634496135.db2.gz OHENSDRBNMAUHG-HRDYMLBCSA-N 0 1 240.259 0.622 20 5 BCBDMN C[C@H]1C[C@@H]1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909394458 634607406 /nfs/dbraw/zinc/60/74/06/634607406.db2.gz HQQZUKYXOFEWEP-RULNZFCNSA-N 0 1 227.216 0.420 20 5 BCBDMN O=[N+]([O-])CCNCc1ccc2c(c1)CCO2 ZINC000905090418 637588303 /nfs/dbraw/zinc/58/83/03/637588303.db2.gz SVWJCTLRMWVZEF-UHFFFAOYSA-N 0 1 222.244 0.988 20 5 BCBDMN CC(C)(C)[S@@](=O)CCNCC[N+](=O)[O-] ZINC000905109603 637619049 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/nfs/dbraw/zinc/17/32/14/646173214.db2.gz HNIBWVUTBISMSM-JTQLQIEISA-N 0 1 224.264 0.797 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@H](CCO)C1 ZINC000929529360 646173841 /nfs/dbraw/zinc/17/38/41/646173841.db2.gz SEJPNEXIKBAEKJ-SECBINFHSA-N 0 1 202.254 0.358 20 5 BCBDMN COC(=O)C[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000930057212 646414769 /nfs/dbraw/zinc/41/47/69/646414769.db2.gz BHRSQWYAKGHXHD-QMMMGPOBSA-N 0 1 216.237 0.291 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@H](Cn2ccnn2)C1 ZINC000930077988 646422335 /nfs/dbraw/zinc/42/23/35/646422335.db2.gz WYBPJSVNKNZGCA-JTQLQIEISA-N 0 1 239.279 0.267 20 5 BCBDMN Cn1ccnc1[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930093837 646432092 /nfs/dbraw/zinc/43/20/92/646432092.db2.gz NEFWSJPAYIALJM-VIFPVBQESA-N 0 1 224.264 0.486 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@@H](n2ccnn2)CC1 ZINC000931005743 711706535 /nfs/dbraw/zinc/70/65/35/711706535.db2.gz JRXRSPRAPWWRSF-SNVBAGLBSA-N 0 1 239.279 0.582 20 5 BCBDMN CN1CC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712590576 712435553 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0.861 20 5 BCBDMN O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000174867917 398015781 /nfs/dbraw/zinc/01/57/81/398015781.db2.gz LUEJVRGUXMHUKH-SECBINFHSA-N 0 1 240.263 0.248 20 5 BCBDMN Cc1nc(NCCN2CCC2)ncc1[N+](=O)[O-] ZINC000450409334 410150016 /nfs/dbraw/zinc/15/00/16/410150016.db2.gz ULJNVFXCXVJGLQ-UHFFFAOYSA-N 0 1 237.263 0.811 20 5 BCBDMN CCc1nnc(Cn2cnc([N+](=O)[O-])c2)[nH]1 ZINC000130362462 171995616 /nfs/dbraw/zinc/99/56/16/171995616.db2.gz NRLFXVAUCYVSNF-UHFFFAOYSA-N 0 1 222.208 0.520 20 5 BCBDMN CN(C)C(=O)CNCc1cccc([N+](=O)[O-])c1 ZINC000037207452 172369863 /nfs/dbraw/zinc/36/98/63/172369863.db2.gz UGONGGOJOFETJE-UHFFFAOYSA-N 0 1 237.259 0.773 20 5 BCBDMN CN(C)C(=O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037207453 172370436 /nfs/dbraw/zinc/37/04/36/172370436.db2.gz VTAIZYPBKFSBLW-UHFFFAOYSA-N 0 1 237.259 0.773 20 5 BCBDMN CNC(=O)CNCc1cccc([N+](=O)[O-])c1 ZINC000037207397 173277423 /nfs/dbraw/zinc/27/74/23/173277423.db2.gz PWWQQPFRCKDNEV-UHFFFAOYSA-N 0 1 223.232 0.430 20 5 BCBDMN 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20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000855692815 588845249 /nfs/dbraw/zinc/84/52/49/588845249.db2.gz RHEDTGWKBVCVSQ-ZOZBQHSOSA-N 0 1 242.275 0.127 20 5 BCBDMN C[C@@]12COC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000855839945 588850410 /nfs/dbraw/zinc/85/04/10/588850410.db2.gz AMFDSFPKUNKGOP-TURQNECASA-N 0 1 240.259 0.147 20 5 BCBDMN CC1(C)OCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856263995 588865495 /nfs/dbraw/zinc/86/54/95/588865495.db2.gz QPLYXXLRIZXYEO-IWSPIJDZSA-N 0 1 242.275 0.583 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2COC[C@@H]2C1 ZINC000856151222 583116213 /nfs/dbraw/zinc/11/62/13/583116213.db2.gz OWHQKXFOIURYAA-AXTSPUMRSA-N 0 1 240.259 0.147 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]2COC[C@H]2C1 ZINC000856151235 583116294 /nfs/dbraw/zinc/11/62/94/583116294.db2.gz OWHQKXFOIURYAA-ZYUZMQFOSA-N 0 1 240.259 0.147 20 5 BCBDMN O=C(OCC[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673124 583421750 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ZINC000839580493 585331016 /nfs/dbraw/zinc/33/10/16/585331016.db2.gz YYQXHVIONHUNME-HTQZYQBOSA-N 0 1 244.247 0.063 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839697156 585335495 /nfs/dbraw/zinc/33/54/95/585335495.db2.gz RRPOSLDRILYPQR-FNCVBFRFSA-N 0 1 212.249 0.766 20 5 BCBDMN C[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694889 585335525 /nfs/dbraw/zinc/33/55/25/585335525.db2.gz XVQZSZHTONNUEI-JQCXWYLXSA-N 0 1 212.249 0.909 20 5 BCBDMN CO[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839701974 585335881 /nfs/dbraw/zinc/33/58/81/585335881.db2.gz XHECMSNMOQYJCD-FNCVBFRFSA-N 0 1 242.275 0.581 20 5 BCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000839681386 585337214 /nfs/dbraw/zinc/33/72/14/585337214.db2.gz OAQMPODCSAWHFX-NQMVMOMDSA-N 0 1 228.248 0.194 20 5 BCBDMN C[C@@H]1CSCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839737631 585337554 /nfs/dbraw/zinc/33/75/54/585337554.db2.gz ZLBCBSXFNNZUGR-DJLDLDEBSA-N 0 1 244.316 0.863 20 5 BCBDMN 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0 1 206.148 0.129 20 5 BCBDMN O=C(NC1Cc2ccccc2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839725230 585338709 /nfs/dbraw/zinc/33/87/09/585338709.db2.gz GQDHGJKNBNGIIH-VXGBXAGGSA-N 0 1 246.266 0.935 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCC1=O ZINC000839728525 585338951 /nfs/dbraw/zinc/33/89/51/585338951.db2.gz LDRUOZWCTJUYIP-XLPZGREQSA-N 0 1 226.232 0.089 20 5 BCBDMN CC1(C)SC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761415 585339033 /nfs/dbraw/zinc/33/90/33/585339033.db2.gz OOKRLAZXBAEXOA-FSDSQADBSA-N 0 1 230.289 0.662 20 5 BCBDMN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839746359 585339999 /nfs/dbraw/zinc/33/99/99/585339999.db2.gz WNDVXGBVBXSMNE-WUNNTHRKSA-N 0 1 210.233 0.566 20 5 BCBDMN O=C(Nc1ccc(=O)[nH]c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839773959 585340748 /nfs/dbraw/zinc/34/07/48/585340748.db2.gz KDMBQUSAJSMZAR-RNFRBKRXSA-N 0 1 223.188 0.391 20 5 BCBDMN O=C(NCC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775285 585341221 /nfs/dbraw/zinc/34/12/21/585341221.db2.gz DSDFKUODEFLYLH-RNFRBKRXSA-N 0 1 234.202 0.813 20 5 BCBDMN COC[C@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839781391 585341700 /nfs/dbraw/zinc/34/17/00/585341700.db2.gz OGVMHUMQCGLCAE-FXPVBKGRSA-N 0 1 242.275 0.537 20 5 BCBDMN Cc1ccncc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839782559 585341702 /nfs/dbraw/zinc/34/17/02/585341702.db2.gz MHBIZMSSBXWSDH-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](F)C1 ZINC000839780746 585341761 /nfs/dbraw/zinc/34/17/61/585341761.db2.gz DHLJHRBAZPEJKT-RRKCRQDMSA-N 0 1 202.185 0.222 20 5 BCBDMN C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783863 585341856 /nfs/dbraw/zinc/34/18/56/585341856.db2.gz WZIOGNGIIFSGKO-FNCVBFRFSA-N 0 1 228.248 0.023 20 5 BCBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH]nn1 ZINC000763195941 585444371 /nfs/dbraw/zinc/44/43/71/585444371.db2.gz MJMNJMJODUTJFK-UHFFFAOYSA-N 0 1 248.202 0.547 20 5 BCBDMN Cc1n[nH]c([C@@H]2CCCN(CC[N+](=O)[O-])C2)n1 ZINC000791053269 585973129 /nfs/dbraw/zinc/97/31/29/585973129.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 0 1 239.279 0.569 20 5 BCBDMN Cc1nnc([C@@H]2CCCN(CC[N+](=O)[O-])C2)[nH]1 ZINC000791053269 585973130 /nfs/dbraw/zinc/97/31/30/585973130.db2.gz CQIVEFXJOPYNFI-SECBINFHSA-N 0 1 239.279 0.569 20 5 BCBDMN CC(C)(O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840426010 587101693 /nfs/dbraw/zinc/10/16/93/587101693.db2.gz HTLOOHYELHUQPT-RKDXNWHRSA-N 0 1 242.275 0.414 20 5 BCBDMN CC[C@@]1(CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840429513 587102575 /nfs/dbraw/zinc/10/25/75/587102575.db2.gz DLRILYSMISRGBL-KKZNHRDASA-N 0 1 242.275 0.415 20 5 BCBDMN CC[C@]1(CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840429512 587102596 /nfs/dbraw/zinc/10/25/96/587102596.db2.gz DLRILYSMISRGBL-FXPVBKGRSA-N 0 1 242.275 0.415 20 5 BCBDMN O=C(NC1(C(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840444809 587103848 /nfs/dbraw/zinc/10/38/48/587103848.db2.gz LGIYHHTXSQSITD-RFZPGFLSSA-N 0 1 220.175 0.566 20 5 BCBDMN CN(CC(C)(C)CO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840468050 587148318 /nfs/dbraw/zinc/14/83/18/587148318.db2.gz AXDZONLPMCZIQD-HTQZYQBOSA-N 0 1 230.264 0.129 20 5 BCBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1COC1 ZINC000840468804 587151088 /nfs/dbraw/zinc/15/10/88/587151088.db2.gz HPZDTTFNOWTZDF-RKDXNWHRSA-N 0 1 228.248 0.287 20 5 BCBDMN CC[C@H]1[C@@H](CO)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840470837 587165316 /nfs/dbraw/zinc/16/53/16/587165316.db2.gz FKHMGKYJDCHYSU-DOLQZWNJSA-N 0 1 242.275 0.271 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(C1CC1)C1COC1 ZINC000840471348 587169272 /nfs/dbraw/zinc/16/92/72/587169272.db2.gz XBFADNPJSCEOGF-RKDXNWHRSA-N 0 1 226.232 0.041 20 5 BCBDMN CC(=O)CCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672212 587915568 /nfs/dbraw/zinc/91/55/68/587915568.db2.gz OFDVONLNEGIHGE-RKDXNWHRSA-N 0 1 229.232 0.954 20 5 BCBDMN COCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671512 587915661 /nfs/dbraw/zinc/91/56/61/587915661.db2.gz WFMJRVURRCFKIE-RNFRBKRXSA-N 0 1 203.194 0.231 20 5 BCBDMN O=C(OCC1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840669623 587915806 /nfs/dbraw/zinc/91/58/06/587915806.db2.gz FLXPQYZMQHKWAU-RKDXNWHRSA-N 0 1 229.232 0.621 20 5 BCBDMN CC(C)COC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840669689 587915866 /nfs/dbraw/zinc/91/58/66/587915866.db2.gz HRFZKBHOOMYSKB-HTQZYQBOSA-N 0 1 245.231 0.394 20 5 BCBDMN CC1(C)CC[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840675411 587916094 /nfs/dbraw/zinc/91/60/94/587916094.db2.gz YAJFNNRGZDYXTI-BWZBUEFSSA-N 0 1 241.243 0.953 20 5 BCBDMN CCC(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673580 587916346 /nfs/dbraw/zinc/91/63/46/587916346.db2.gz UEELLDPGNRDSPT-RKDXNWHRSA-N 0 1 229.232 0.954 20 5 BCBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000842320084 588017229 /nfs/dbraw/zinc/01/72/29/588017229.db2.gz AEBPUQDKUZNBBW-MRTMQBJTSA-N 0 1 229.232 0.764 20 5 BCBDMN O=C(OCC1(O)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842323108 588017484 /nfs/dbraw/zinc/01/74/84/588017484.db2.gz GRSPJQSENLPLED-HTQZYQBOSA-N 0 1 229.232 0.500 20 5 BCBDMN C[C@@H]1OCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842341224 588019889 /nfs/dbraw/zinc/01/98/89/588019889.db2.gz WGOUPUZHAPVVJI-LXGUWJNJSA-N 0 1 215.205 0.372 20 5 BCBDMN CCO[C@@H]1C[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842349888 588020399 /nfs/dbraw/zinc/02/03/99/588020399.db2.gz QEAKONCZOFDOGX-FNCVBFRFSA-N 0 1 229.232 0.620 20 5 BCBDMN CC[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000842361797 588021090 /nfs/dbraw/zinc/02/10/90/588021090.db2.gz MQCDGSURXJJARQ-BWZBUEFSSA-N 0 1 245.231 0.394 20 5 BCBDMN COCCSCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842368156 588021975 /nfs/dbraw/zinc/02/19/75/588021975.db2.gz RULMYLSWRUZPPP-HTQZYQBOSA-N 0 1 249.288 0.574 20 5 BCBDMN COC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842369579 588022021 /nfs/dbraw/zinc/02/20/21/588022021.db2.gz KTXDNVHWXTYIPC-RNFRBKRXSA-N 0 1 217.221 0.620 20 5 BCBDMN C[C@@H]1SCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000843741145 588135774 /nfs/dbraw/zinc/13/57/74/588135774.db2.gz BZXWVUARRXFAEV-LXGUWJNJSA-N 0 1 230.289 0.662 20 5 BCBDMN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000843738238 588136480 /nfs/dbraw/zinc/13/64/80/588136480.db2.gz YSCOVPGFAKQFQU-SRQGCSHVSA-N 0 1 224.260 0.956 20 5 BCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CO1 ZINC000844832350 588217826 /nfs/dbraw/zinc/21/78/26/588217826.db2.gz ZPHMMSDSTAYBJO-SGIHWFKDSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000845009685 588220619 /nfs/dbraw/zinc/22/06/19/588220619.db2.gz RZDNJZAAQOECGI-ZXFLCMHBSA-N 0 1 246.213 0.909 20 5 BCBDMN CCOC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000846293445 588263938 /nfs/dbraw/zinc/26/39/38/588263938.db2.gz PHAUAZIGGBIPCJ-NXEZZACHSA-N 0 1 242.275 0.679 20 5 BCBDMN CC[C@@](C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000106578685 588295684 /nfs/dbraw/zinc/29/56/84/588295684.db2.gz KJECIIZOKMHFCI-BRDIYROLSA-N 0 1 244.247 0.110 20 5 BCBDMN C[C@H](Cc1ccccn1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847201928 588309235 /nfs/dbraw/zinc/30/92/35/588309235.db2.gz HTVQMODHHORNCW-FBIMIBRVSA-N 0 1 249.270 0.794 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CC2(F)F)C1 ZINC000848258599 588367950 /nfs/dbraw/zinc/36/79/50/588367950.db2.gz BAWHWJVTFULXEV-PHDIDXHHSA-N 0 1 232.186 0.519 20 5 BCBDMN CC(C)(COC(=O)[C@@H]1CC1[N+](=O)[O-])[N+](=O)[O-] ZINC000851129740 588593554 /nfs/dbraw/zinc/59/35/54/588593554.db2.gz REGIUVKOOKOMDQ-PHDIDXHHSA-N 0 1 232.192 0.250 20 5 BCBDMN O=C(OCc1ncccn1)[C@@H]1CC1[N+](=O)[O-] ZINC000851182979 588595950 /nfs/dbraw/zinc/59/59/50/588595950.db2.gz PLCHDGLTCPWAHC-RNFRBKRXSA-N 0 1 223.188 0.185 20 5 BCBDMN CCOC(=O)C[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000861262523 589154912 /nfs/dbraw/zinc/15/49/12/589154912.db2.gz IRCMNXKRGDFOOQ-XLPZGREQSA-N 0 1 245.231 0.537 20 5 BCBDMN COC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000885795546 589161509 /nfs/dbraw/zinc/16/15/09/589161509.db2.gz MYDRMNHFIRBGTG-OPRDCNLKSA-N 0 1 244.291 0.686 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccns1 ZINC000863616088 589304733 /nfs/dbraw/zinc/30/47/33/589304733.db2.gz XCEVZQZQCZQPSH-RRKCRQDMSA-N 0 1 241.272 0.986 20 5 BCBDMN CCC(O)(CC)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863621074 589305017 /nfs/dbraw/zinc/30/50/17/589305017.db2.gz WRDKZJTWNAODJQ-RKDXNWHRSA-N 0 1 244.291 0.661 20 5 BCBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000869924379 589637747 /nfs/dbraw/zinc/63/77/47/589637747.db2.gz BTJXTABJYVHORW-ZYUZMQFOSA-N 0 1 242.275 0.414 20 5 BCBDMN CC[C@@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000870678707 589683168 /nfs/dbraw/zinc/68/31/68/589683168.db2.gz GHLNZJIOSWKOKE-FXPVBKGRSA-N 0 1 242.275 0.415 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](CF)C1 ZINC000881602768 591253237 /nfs/dbraw/zinc/25/32/37/591253237.db2.gz DFCGDHCQUFYQPM-IWSPIJDZSA-N 0 1 230.239 0.860 20 5 BCBDMN O=C(OC[C@H]1C[C@@]12CCOC2)[C@@H]1CC1[N+](=O)[O-] ZINC000884551011 591976377 /nfs/dbraw/zinc/97/63/77/591976377.db2.gz QGKAXQZZUJKSPD-TURQNECASA-N 0 1 241.243 0.621 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000890269783 592231013 /nfs/dbraw/zinc/23/10/13/592231013.db2.gz KDLPFUZHLRNTJA-UTINFBMNSA-N 0 1 224.260 0.910 20 5 BCBDMN C[C@@H]1C[C@H]1C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909394460 634607390 /nfs/dbraw/zinc/60/73/90/634607390.db2.gz HQQZUKYXOFEWEP-WCTZXXKLSA-N 0 1 227.216 0.420 20 5 BCBDMN O=[N+]([O-])CCNC1([C@H]2CCCCO2)CC1 ZINC000933369036 631331659 /nfs/dbraw/zinc/33/16/59/631331659.db2.gz IBSGBOKSQPRDMN-SECBINFHSA-N 0 1 214.265 0.954 20 5 BCBDMN C[C@H](NC[C@@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000090281899 631524590 /nfs/dbraw/zinc/52/45/90/631524590.db2.gz HBNNCOUBWLLUMN-DTWKUNHWSA-N 0 1 240.259 0.599 20 5 BCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]1CO ZINC000934015599 631610424 /nfs/dbraw/zinc/61/04/24/631610424.db2.gz PEHWOCUELOBHFL-VIFPVBQESA-N 0 1 240.263 0.166 20 5 BCBDMN O=[N+]([O-])CCN[C@@H]1COc2ccccc2C1 ZINC000905046828 637563174 /nfs/dbraw/zinc/56/31/74/637563174.db2.gz CBROOFGVXDFDNJ-JTQLQIEISA-N 0 1 222.244 0.856 20 5 BCBDMN O=[N+]([O-])CCNCCOC[C@@H]1CCCO1 ZINC000905120904 637627509 /nfs/dbraw/zinc/62/75/09/637627509.db2.gz IESLVZFCMNVCQR-VIFPVBQESA-N 0 1 218.253 0.048 20 5 BCBDMN O=[N+]([O-])CCNCCOc1ccc(Cl)cn1 ZINC000905164971 637676211 /nfs/dbraw/zinc/67/62/11/637676211.db2.gz BZTIXNHFRRCMMN-UHFFFAOYSA-N 0 1 245.666 0.980 20 5 BCBDMN O=[N+]([O-])CCNCc1n[nH]c(C2CC2)n1 ZINC000905275704 637733687 /nfs/dbraw/zinc/73/36/87/637733687.db2.gz XJGOLZYAHIKATP-UHFFFAOYSA-N 0 1 211.225 0.048 20 5 BCBDMN O=[N+]([O-])CCNCc1ccc(CO)cc1 ZINC000905351483 637770686 /nfs/dbraw/zinc/77/06/86/637770686.db2.gz SUQXKBFWZZAPFZ-UHFFFAOYSA-N 0 1 210.233 0.545 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccsc1 ZINC000905351691 637771803 /nfs/dbraw/zinc/77/18/03/637771803.db2.gz AZSLDBUSYCSOBC-MRVPVSSYSA-N 0 1 216.262 0.648 20 5 BCBDMN CCOC(=O)C1=CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905384997 637784086 /nfs/dbraw/zinc/78/40/86/637784086.db2.gz MWGYDMSBTFJJPO-SECBINFHSA-N 0 1 228.248 0.505 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)Cc1ccc(F)cc1 ZINC000905476373 637817546 /nfs/dbraw/zinc/81/75/46/637817546.db2.gz ZAPSFPCDUIEOHT-NSHDSACASA-N 0 1 242.250 0.595 20 5 BCBDMN C[C@@H]1CCC[C@H](C)N1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000907988270 638537498 /nfs/dbraw/zinc/53/74/98/638537498.db2.gz XQBJXDAZZXLMQB-UTINFBMNSA-N 0 1 241.291 0.946 20 5 BCBDMN C[C@H]1C[C@@H](N2CCOCC2)CN1CC[N+](=O)[O-] ZINC000930454637 639758418 /nfs/dbraw/zinc/75/84/18/639758418.db2.gz HQCKIGDUZLELFM-WDEREUQCSA-N 0 1 243.307 0.058 20 5 BCBDMN O=[N+]([O-])CCN1CC[C@@]2(CC2(F)F)C1 ZINC000930866041 639959061 /nfs/dbraw/zinc/95/90/61/639959061.db2.gz HWGKKRREUIASBQ-SSDOTTSWSA-N 0 1 206.192 0.994 20 5 BCBDMN CCO[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929678206 641393559 /nfs/dbraw/zinc/39/35/59/641393559.db2.gz HLDGWYJPNGUQLP-VIFPVBQESA-N 0 1 202.254 0.764 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@@H](CCO)C1 ZINC000929529361 646174819 /nfs/dbraw/zinc/17/48/19/646174819.db2.gz SEJPNEXIKBAEKJ-VIFPVBQESA-N 0 1 202.254 0.358 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@H]1CN1CCOCC1 ZINC000929727084 646277184 /nfs/dbraw/zinc/27/71/84/646277184.db2.gz XHGSHSWCHGYBPE-NSHDSACASA-N 0 1 243.307 0.060 20 5 BCBDMN CC[C@H]1CN(CC[N+](=O)[O-])CCCO1 ZINC000930316413 712712193 /nfs/dbraw/zinc/71/21/93/712712193.db2.gz JBFAEYQDJDRTQX-VIFPVBQESA-N 0 1 202.254 0.764 20 5 BCBDMN Cc1ccc(C(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC000006071266 178391787 /nfs/dbraw/zinc/39/17/87/178391787.db2.gz KRXLHSGWNOLBTF-UHFFFAOYSA-N 0 1 249.270 0.949 20 5 BCBDMN O=C(NCc1cnc[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000610773391 344153876 /nfs/dbraw/zinc/15/38/76/344153876.db2.gz XWQFITTYJKCOOA-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCNC1=O ZINC000594961766 348151436 /nfs/dbraw/zinc/15/14/36/348151436.db2.gz HODCPFLMTZMQKB-NSHDSACASA-N 0 1 249.270 0.881 20 5 BCBDMN Cc1noc(CN[C@@H](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000595430271 348248416 /nfs/dbraw/zinc/24/84/16/348248416.db2.gz UFMKVKTYJQTLDZ-RQJHMYQMSA-N 0 1 243.263 0.998 20 5 BCBDMN O=C(N[C@@]12C[C@@H]1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000597888362 348833705 /nfs/dbraw/zinc/83/37/05/348833705.db2.gz JMCCVCFRQISGLJ-WKEGUHRASA-N 0 1 236.231 0.990 20 5 BCBDMN C[C@@H]1COCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000366868308 351358973 /nfs/dbraw/zinc/35/89/73/351358973.db2.gz OOHCFANHTXSDDN-YIZRAAEISA-N 0 1 228.248 0.147 20 5 BCBDMN CNCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000090295602 363032609 /nfs/dbraw/zinc/03/26/09/363032609.db2.gz LZMUUUTXFCTIID-UHFFFAOYSA-N 0 1 247.258 0.954 20 5 BCBDMN CCc1[nH]nc(C(=O)N(C)C)c1[N+](=O)[O-] ZINC000263880671 188194518 /nfs/dbraw/zinc/19/45/18/188194518.db2.gz BNBDKYRVTZXRDT-UHFFFAOYSA-N 0 1 212.209 0.582 20 5 BCBDMN CCCc1[nH]nc(C(=O)N(C)C)c1[N+](=O)[O-] ZINC000068860796 368740218 /nfs/dbraw/zinc/74/02/18/368740218.db2.gz RFQXVXRKRHTYEY-UHFFFAOYSA-N 0 1 226.236 0.972 20 5 BCBDMN Cc1nc(NCc2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000161551392 370369264 /nfs/dbraw/zinc/36/92/64/370369264.db2.gz FGYVZKSUXKVDAI-UHFFFAOYSA-N 0 1 235.207 0.423 20 5 BCBDMN Cc1ccnc(NCc2nn[nH]n2)c1[N+](=O)[O-] ZINC000070496219 371037111 /nfs/dbraw/zinc/03/71/11/371037111.db2.gz PGZSKVJZLVYRJJ-UHFFFAOYSA-N 0 1 235.207 0.423 20 5 BCBDMN Cc1[nH]nc(C(=O)N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000600220278 371652313 /nfs/dbraw/zinc/65/23/13/371652313.db2.gz PKGQRPOWBZEBTR-KNVOCYPGSA-N 0 1 236.231 0.718 20 5 BCBDMN O=C(NOC1CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000272150373 182282436 /nfs/dbraw/zinc/28/24/36/182282436.db2.gz WZVYZJUBKYHNSO-UHFFFAOYSA-N 0 1 240.219 0.922 20 5 BCBDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CC1[N+](=O)[O-] ZINC000375539787 182316846 /nfs/dbraw/zinc/31/68/46/182316846.db2.gz BKLOOCUYUHFWKB-ZOZBQHSOSA-N 0 1 240.259 0.335 20 5 BCBDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000375539783 182317033 /nfs/dbraw/zinc/31/70/33/182317033.db2.gz BKLOOCUYUHFWKB-VFCFLDTKSA-N 0 1 240.259 0.335 20 5 BCBDMN C[C@@H]1C[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132231267 383872278 /nfs/dbraw/zinc/87/22/78/383872278.db2.gz CEIRVQGCSSJXMR-UHNVWZDZSA-N 0 1 210.193 0.456 20 5 BCBDMN Cc1[nH]nc(C(=O)N(C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000285756962 384215443 /nfs/dbraw/zinc/21/54/43/384215443.db2.gz QPKYSUYJUWXZQZ-RXMQYKEDSA-N 0 1 242.235 0.079 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000365860909 384833417 /nfs/dbraw/zinc/83/34/17/384833417.db2.gz AOWHTOPQQJLIKJ-KDDQHCCQSA-N 0 1 238.243 0.374 20 5 BCBDMN Cc1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000343935849 385737561 /nfs/dbraw/zinc/73/75/61/385737561.db2.gz DBGHKMSYHKPQGL-RXMQYKEDSA-N 0 1 249.234 0.984 20 5 BCBDMN Cc1nc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)n[nH]1 ZINC000343935851 385738001 /nfs/dbraw/zinc/73/80/01/385738001.db2.gz DBGHKMSYHKPQGL-YFKPBYRVSA-N 0 1 249.234 0.984 20 5 BCBDMN Cc1[nH]nc(C(=O)N(C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000290998833 385769763 /nfs/dbraw/zinc/76/97/63/385769763.db2.gz BGYAFRXCJYPSTH-YFKPBYRVSA-N 0 1 242.235 0.079 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CCOC2(CCC2)C1 ZINC000367249038 387037625 /nfs/dbraw/zinc/03/76/25/387037625.db2.gz REMDTMAKVJMESR-DTWKUNHWSA-N 0 1 240.259 0.433 20 5 BCBDMN CN(Cc1nnc[nH]1)c1ncc([N+](=O)[O-])s1 ZINC000192460401 387371433 /nfs/dbraw/zinc/37/14/33/387371433.db2.gz BQVOUFHRMCPDGX-UHFFFAOYSA-N 0 1 240.248 0.806 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@]2(CCOC2)C1 ZINC000371949559 387917588 /nfs/dbraw/zinc/91/75/88/387917588.db2.gz ILKCYQVPGXDZHG-FXPVBKGRSA-N 0 1 240.259 0.291 20 5 BCBDMN C[C@@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272611947 388478128 /nfs/dbraw/zinc/47/81/28/388478128.db2.gz SJWJKWRUPXSDOP-LURJTMIESA-N 0 1 240.215 0.411 20 5 BCBDMN CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123695343 388733780 /nfs/dbraw/zinc/73/37/80/388733780.db2.gz SUGZFVSNVDHUFT-UHFFFAOYSA-N 0 1 234.208 0.642 20 5 BCBDMN Cc1cc([N+](=O)[O-])cn(Cc2c[nH]nn2)c1=O ZINC000352160317 134089744 /nfs/dbraw/zinc/08/97/44/134089744.db2.gz JSLBXLFMHLXIKS-UHFFFAOYSA-N 0 1 235.203 0.231 20 5 BCBDMN CN1C[C@@H](NCc2ccccc2[N+](=O)[O-])CC1=O ZINC000263710183 135361811 /nfs/dbraw/zinc/36/18/11/135361811.db2.gz HWQXHXJUSFHZSM-JTQLQIEISA-N 0 1 249.270 0.915 20 5 BCBDMN O=[N+]([O-])c1ccc(NCCc2nc[nH]n2)nc1 ZINC000080589692 135382735 /nfs/dbraw/zinc/38/27/35/135382735.db2.gz MNOIXEBCFJNUGL-UHFFFAOYSA-N 0 1 234.219 0.763 20 5 BCBDMN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000531628526 411773448 /nfs/dbraw/zinc/77/34/48/411773448.db2.gz CHBRDDKQYSIHBH-UHFFFAOYSA-N 0 1 248.202 0.669 20 5 BCBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(N)n2)cnn1C ZINC000362560928 411937536 /nfs/dbraw/zinc/93/75/36/411937536.db2.gz PGLLBUUJWBBNBE-UHFFFAOYSA-N 0 1 249.234 0.753 20 5 BCBDMN CN1C[C@H](NCc2cccc([N+](=O)[O-])c2)CC1=O ZINC000299608883 173195422 /nfs/dbraw/zinc/19/54/22/173195422.db2.gz GGDWEGYXPZQSCP-SNVBAGLBSA-N 0 1 249.270 0.915 20 5 BCBDMN CNC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037224642 173277811 /nfs/dbraw/zinc/27/78/11/173277811.db2.gz DFEXIEPQNFZIKV-QMMMGPOBSA-N 0 1 237.259 0.991 20 5 BCBDMN C[C@@H]1CC(NC(=O)c2n[nH]cc2[N+](=O)[O-])=NO1 ZINC000270837072 176055236 /nfs/dbraw/zinc/05/52/36/176055236.db2.gz LQJZFODNWRKYLN-SCSAIBSYSA-N 0 1 239.191 0.170 20 5 BCBDMN C[C@@H]1C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270652805 176396078 /nfs/dbraw/zinc/39/60/78/176396078.db2.gz BRBDDGIHVMDIKH-PHDIDXHHSA-N 0 1 224.220 0.704 20 5 BCBDMN Cc1nc(Cn2cc([N+](=O)[O-])ccc2=O)n[nH]1 ZINC000488267255 225359199 /nfs/dbraw/zinc/35/91/99/225359199.db2.gz RKLUQKYUYVURTC-UHFFFAOYSA-N 0 1 235.203 0.231 20 5 BCBDMN Cc1nc(Cn2cccc([N+](=O)[O-])c2=O)n[nH]1 ZINC000488220177 534433463 /nfs/dbraw/zinc/43/34/63/534433463.db2.gz NCUBYXSIAGCORK-UHFFFAOYSA-N 0 1 235.203 0.231 20 5 BCBDMN CC(C)(CCO)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000478619895 527060143 /nfs/dbraw/zinc/06/01/43/527060143.db2.gz DAAGZJJDNDBVFM-UHFFFAOYSA-N 0 1 242.235 0.209 20 5 BCBDMN CC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854727132 588804345 /nfs/dbraw/zinc/80/43/45/588804345.db2.gz VMMWUTYNIDJDRN-OPRDCNLKSA-N 0 1 240.259 0.622 20 5 BCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccn1 ZINC000855183294 588825725 /nfs/dbraw/zinc/82/57/25/588825725.db2.gz XFRIFPSBWHTLTQ-IQJOONFLSA-N 0 1 249.270 0.967 20 5 BCBDMN COCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000855215943 588826000 /nfs/dbraw/zinc/82/60/00/588826000.db2.gz BAEIBJSRXGZGBL-RKDXNWHRSA-N 0 1 242.275 0.727 20 5 BCBDMN O=C(NC/C=C\Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000891199870 582626003 /nfs/dbraw/zinc/62/60/03/582626003.db2.gz FDOHVGVGTGGSHE-CNUHJEEOSA-N 0 1 204.613 0.520 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)C1O ZINC000855692813 588845282 /nfs/dbraw/zinc/84/52/82/588845282.db2.gz RHEDTGWKBVCVSQ-FNCVBFRFSA-N 0 1 242.275 0.127 20 5 BCBDMN CC(C)(F)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855747317 588846941 /nfs/dbraw/zinc/84/69/41/588846941.db2.gz FXPWDSWVZUNPCO-RNFRBKRXSA-N 0 1 218.228 0.906 20 5 BCBDMN O=C(NCCc1ccoc1)[C@@H]1CC1[N+](=O)[O-] ZINC000855769876 588847331 /nfs/dbraw/zinc/84/73/31/588847331.db2.gz LQVLTTSUGUTMAU-RKDXNWHRSA-N 0 1 224.216 0.604 20 5 BCBDMN C[C@H]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000855794369 588848383 /nfs/dbraw/zinc/84/83/83/588848383.db2.gz FFSIJTJQCXDKCZ-AXTSPUMRSA-N 0 1 242.275 0.725 20 5 BCBDMN C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000855794372 588848529 /nfs/dbraw/zinc/84/85/29/588848529.db2.gz FFSIJTJQCXDKCZ-ZYUZMQFOSA-N 0 1 242.275 0.725 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000855928405 588854251 /nfs/dbraw/zinc/85/42/51/588854251.db2.gz OUUWYHYBDPTDDD-UTINFBMNSA-N 0 1 242.275 0.678 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@]1(C)CO ZINC000856246433 588865367 /nfs/dbraw/zinc/86/53/67/588865367.db2.gz VUIDKEGONXSPBP-YSSBGUOXSA-N 0 1 242.275 0.129 20 5 BCBDMN O=C(NOCC1CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000856349051 588869266 /nfs/dbraw/zinc/86/92/66/588869266.db2.gz ZMTXKOJVCPATIQ-UHFFFAOYSA-N 0 1 240.219 0.779 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC000840671219 583407172 /nfs/dbraw/zinc/40/71/72/583407172.db2.gz QDVGLNRYFILVRD-RKDXNWHRSA-N 0 1 241.243 0.954 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC000840672590 583414284 /nfs/dbraw/zinc/41/42/84/583414284.db2.gz CEWJLYYYGJUORT-RKDXNWHRSA-N 0 1 227.216 0.564 20 5 BCBDMN CCOCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673115 583421330 /nfs/dbraw/zinc/42/13/30/583421330.db2.gz QXKSZXFFTNWRPB-RNFRBKRXSA-N 0 1 203.194 0.231 20 5 BCBDMN C[C@@H]1CC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000840673347 583422834 /nfs/dbraw/zinc/42/28/34/583422834.db2.gz LMIANLGRLLDRNX-BZNPZCIMSA-N 0 1 229.232 0.762 20 5 BCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1CO ZINC000857361159 588906991 /nfs/dbraw/zinc/90/69/91/588906991.db2.gz MLZXVUKZYNDMBV-AXTSPUMRSA-N 0 1 242.275 0.129 20 5 BCBDMN CNC(=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000899866701 584244098 /nfs/dbraw/zinc/24/40/98/584244098.db2.gz RHNPOYSSBMTJNL-UHFFFAOYSA-N 0 1 237.259 0.413 20 5 BCBDMN Cc1ccc([C@@H](O)CNCC[N+](=O)[O-])cc1 ZINC000899870979 584244504 /nfs/dbraw/zinc/24/45/04/584244504.db2.gz PMDSRCQHLAURAD-NSHDSACASA-N 0 1 224.260 0.895 20 5 BCBDMN O=[N+]([O-])CCNCCO[C@@H]1CC1(F)F ZINC000899890651 584245965 /nfs/dbraw/zinc/24/59/65/584245965.db2.gz BHILOHMQFYFWHN-ZCFIWIBFSA-N 0 1 210.180 0.277 20 5 BCBDMN O=C(O[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842323351 584892120 /nfs/dbraw/zinc/89/21/20/584892120.db2.gz SMBSUZGOXXYRDH-XLPZGREQSA-N 0 1 215.205 0.374 20 5 BCBDMN O=C(O[C@H]1CCN(CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842347601 584892552 /nfs/dbraw/zinc/89/25/52/584892552.db2.gz QQJWNFZSSUCJEG-DJLDLDEBSA-N 0 1 246.238 0.239 20 5 BCBDMN CCCN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839511809 585106127 /nfs/dbraw/zinc/10/61/27/585106127.db2.gz FSMPCKQTIIECGL-HTQZYQBOSA-N 0 1 200.238 0.910 20 5 BCBDMN O=C(NCCCC1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686824 585335254 /nfs/dbraw/zinc/33/52/54/585335254.db2.gz VVROXFPVWLSSFB-RKDXNWHRSA-N 0 1 212.249 0.958 20 5 BCBDMN CC[C@@H](C)[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689072 585335433 /nfs/dbraw/zinc/33/54/33/585335433.db2.gz ZRQPDOZOKSUCAO-TURQNECASA-N 0 1 244.291 0.565 20 5 BCBDMN CCC[C@@H](CCO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694035 585335711 /nfs/dbraw/zinc/33/57/11/585335711.db2.gz KUNVFFPIRNYWOV-IVZWLZJFSA-N 0 1 244.291 0.567 20 5 BCBDMN COC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839702941 585335764 /nfs/dbraw/zinc/33/57/64/585335764.db2.gz XWMCRUTZXNALNX-HTQZYQBOSA-N 0 1 230.264 0.535 20 5 BCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839680857 585337175 /nfs/dbraw/zinc/33/71/75/585337175.db2.gz OPIVDCDRDOFHLH-SGIHWFKDSA-N 0 1 242.275 0.678 20 5 BCBDMN C[C@H](C[C@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703882 585337398 /nfs/dbraw/zinc/33/73/98/585337398.db2.gz PQYIZTFWMIIMGE-ZYUZMQFOSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@H]1OCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1C ZINC000839705580 585337740 /nfs/dbraw/zinc/33/77/40/585337740.db2.gz LHECCFGHHOBRJM-JQCXWYLXSA-N 0 1 228.248 0.287 20 5 BCBDMN CC[C@@H](CSC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717177 585338266 /nfs/dbraw/zinc/33/82/66/585338266.db2.gz BOCLSMRBOOECMB-XLPZGREQSA-N 0 1 232.305 0.909 20 5 BCBDMN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839719534 585338464 /nfs/dbraw/zinc/33/84/64/585338464.db2.gz ZXMWJWXSSKHMRU-UTINFBMNSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1F ZINC000839723854 585338584 /nfs/dbraw/zinc/33/85/84/585338584.db2.gz KOPAEGAXQULXAC-FNCVBFRFSA-N 0 1 230.239 0.858 20 5 BCBDMN C[C@@H]1OCC[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723700 585338605 /nfs/dbraw/zinc/33/86/05/585338605.db2.gz JXIVDXURICZGTH-OKJYPTKPSA-N 0 1 228.248 0.335 20 5 BCBDMN C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723701 585338693 /nfs/dbraw/zinc/33/86/93/585338693.db2.gz JXIVDXURICZGTH-WHQQTDPMSA-N 0 1 228.248 0.335 20 5 BCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1F ZINC000839723855 585338733 /nfs/dbraw/zinc/33/87/33/585338733.db2.gz KOPAEGAXQULXAC-JQCXWYLXSA-N 0 1 230.239 0.858 20 5 BCBDMN O=C(NCC[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839721965 585338769 /nfs/dbraw/zinc/33/87/69/585338769.db2.gz RXDOKWXMSRCSGA-OPRDCNLKSA-N 0 1 242.275 0.727 20 5 BCBDMN C[C@@H]1CSC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761541 585339013 /nfs/dbraw/zinc/33/90/13/585339013.db2.gz IUOXXUXWNPIHBB-WCTZXXKLSA-N 0 1 230.289 0.519 20 5 BCBDMN CC1=CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839751405 585340246 /nfs/dbraw/zinc/34/02/46/585340246.db2.gz ZNEOEADZQAFPTI-RKDXNWHRSA-N 0 1 210.233 0.830 20 5 BCBDMN O=C(NC[C@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839748483 585340482 /nfs/dbraw/zinc/34/04/82/585340482.db2.gz KFPZMLFBIYJVDK-BWZBUEFSSA-N 0 1 230.289 0.521 20 5 BCBDMN CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839757923 585340628 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O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](F)C1 ZINC000839780745 585341687 /nfs/dbraw/zinc/34/16/87/585341687.db2.gz DHLJHRBAZPEJKT-FSDSQADBSA-N 0 1 202.185 0.222 20 5 BCBDMN CCO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839791220 585366258 /nfs/dbraw/zinc/36/62/58/585366258.db2.gz COXWLCWLOJGQSF-ZYUZMQFOSA-N 0 1 242.275 0.725 20 5 BCBDMN O=C(NOCC(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000760143671 585386059 /nfs/dbraw/zinc/38/60/59/585386059.db2.gz GZCHRJFRBRZMCA-UHFFFAOYSA-N 0 1 236.134 0.244 20 5 BCBDMN COC(=O)[C@@]1(C)CCN(CC[N+](=O)[O-])C1 ZINC000787728109 585915106 /nfs/dbraw/zinc/91/51/06/585915106.db2.gz BRWYHCMQTLESOZ-VIFPVBQESA-N 0 1 216.237 0.148 20 5 BCBDMN Nc1ccc(C(=O)Nc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000789928074 585953610 /nfs/dbraw/zinc/95/36/10/585953610.db2.gz WGEVVOZTQPVCKV-UHFFFAOYSA-N 0 1 248.202 0.547 20 5 BCBDMN O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 ZINC000789927874 585953773 /nfs/dbraw/zinc/95/37/73/585953773.db2.gz UBTSREBCHVBIAY-UHFFFAOYSA-N 0 1 233.187 0.965 20 5 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ZINC000839485608 585104987 /nfs/dbraw/zinc/10/49/87/585104987.db2.gz BBVCJPNBOALNQW-GEPGNKONSA-N 0 1 210.233 0.805 20 5 BCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839493933 585105421 /nfs/dbraw/zinc/10/54/21/585105421.db2.gz IOOAPSRKYNQZCW-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCSCC1 ZINC000839539824 585329910 /nfs/dbraw/zinc/32/99/10/585329910.db2.gz XXOHQUSUBXZBAN-HTQZYQBOSA-N 0 1 230.289 0.617 20 5 BCBDMN C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839575217 585330565 /nfs/dbraw/zinc/33/05/65/585330565.db2.gz SASFBFSHPFXITM-FTLITQJKSA-N 0 1 212.249 0.814 20 5 BCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839575220 585330709 /nfs/dbraw/zinc/33/07/09/585330709.db2.gz SASFBFSHPFXITM-NBEYISGCSA-N 0 1 212.249 0.814 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)O1 ZINC000839580845 585330880 /nfs/dbraw/zinc/33/08/80/585330880.db2.gz VDOFSWWIHDULPJ-IWSPIJDZSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C(NC[C@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839580333 585330932 /nfs/dbraw/zinc/33/09/32/585330932.db2.gz YGBJBDQARJZDNI-IWSPIJDZSA-N 0 1 228.248 0.337 20 5 BCBDMN CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839597890 585331540 /nfs/dbraw/zinc/33/15/40/585331540.db2.gz HPMJVKWSXOAZHS-OPRDCNLKSA-N 0 1 242.275 0.537 20 5 BCBDMN O=C(NCCNc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839685505 585334844 /nfs/dbraw/zinc/33/48/44/585334844.db2.gz DSVDYEMQRVOQEV-GHMZBOCLSA-N 0 1 249.270 0.880 20 5 BCBDMN O=C(NCC1(O)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839690138 585335162 /nfs/dbraw/zinc/33/51/62/585335162.db2.gz CCZMUMMMHPNAGK-RKDXNWHRSA-N 0 1 242.275 0.463 20 5 BCBDMN CC[C@@H](COC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687295 585335177 /nfs/dbraw/zinc/33/51/77/585335177.db2.gz ARHMVQYQZZSWCS-XLPZGREQSA-N 0 1 216.237 0.193 20 5 BCBDMN C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839694727 585335492 /nfs/dbraw/zinc/33/54/92/585335492.db2.gz XVQZSZHTONNUEI-BZNPZCIMSA-N 0 1 212.249 0.909 20 5 BCBDMN COC(C)(C)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839693358 585335529 /nfs/dbraw/zinc/33/55/29/585335529.db2.gz OETFRWIGXPBNSX-IWSPIJDZSA-N 0 1 244.291 0.971 20 5 BCBDMN Cc1cc(=O)[nH]cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698064 585335758 /nfs/dbraw/zinc/33/57/58/585335758.db2.gz CANQHIXTWOZLQU-HTRCEHHLSA-N 0 1 237.215 0.699 20 5 BCBDMN CC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC000839699615 585335919 /nfs/dbraw/zinc/33/59/19/585335919.db2.gz LHZRZUUJUCXWQG-RKDXNWHRSA-N 0 1 242.275 0.585 20 5 BCBDMN COCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839679363 585337059 /nfs/dbraw/zinc/33/70/59/585337059.db2.gz HWAGDDZCJXMPQH-NXEZZACHSA-N 0 1 242.275 0.537 20 5 BCBDMN CC1(C)C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681788 585337207 /nfs/dbraw/zinc/33/72/07/585337207.db2.gz UBZOBGUVCZJYKB-XLPZGREQSA-N 0 1 212.249 0.814 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000839734282 585337480 /nfs/dbraw/zinc/33/74/80/585337480.db2.gz RADIYLMJJBJVNJ-VVULQXIFSA-N 0 1 242.275 0.676 20 5 BCBDMN C[C@H]1OCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839705578 585337770 /nfs/dbraw/zinc/33/77/70/585337770.db2.gz LHECCFGHHOBRJM-FNCVBFRFSA-N 0 1 228.248 0.287 20 5 BCBDMN CC(C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839713556 585338018 /nfs/dbraw/zinc/33/80/18/585338018.db2.gz SBROPDIUSWSCRY-RKDXNWHRSA-N 0 1 212.249 0.766 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc[nH]1 ZINC000839714646 585338044 /nfs/dbraw/zinc/33/80/44/585338044.db2.gz MHJWLEQGRXNWIC-LKEWCRSYSA-N 0 1 223.232 0.857 20 5 BCBDMN O=C(Nc1ccncc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839713819 585338112 /nfs/dbraw/zinc/33/81/12/585338112.db2.gz WNXUXVSXJQKISY-SVGQVSJJSA-N 0 1 225.179 0.246 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc[nH]1 ZINC000839714647 585338134 /nfs/dbraw/zinc/33/81/34/585338134.db2.gz MHJWLEQGRXNWIC-ZXFLCMHBSA-N 0 1 223.232 0.857 20 5 BCBDMN C[C@@H]1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839716434 585338314 /nfs/dbraw/zinc/33/83/14/585338314.db2.gz BWLMMDSHOIITRZ-KHUVANEUSA-N 0 1 242.275 0.724 20 5 BCBDMN CC(C)(O)[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719199 585338348 /nfs/dbraw/zinc/33/83/48/585338348.db2.gz WKKZIWYLNPMPOC-HLTSFMKQSA-N 0 1 242.275 0.414 20 5 BCBDMN O=C(NCCCCCCO)[C@@H]1CC1[N+](=O)[O-] ZINC000839718724 585338478 /nfs/dbraw/zinc/33/84/78/585338478.db2.gz KUZLDVCAAAUBRH-RKDXNWHRSA-N 0 1 230.264 0.321 20 5 BCBDMN CC(C)OCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726290 585338727 /nfs/dbraw/zinc/33/87/27/585338727.db2.gz NOUZIJSBQXEJJC-HTQZYQBOSA-N 0 1 216.237 0.193 20 5 BCBDMN O=C(NCC1(CO)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839728530 585338919 /nfs/dbraw/zinc/33/89/19/585338919.db2.gz PCMXSIZLAHSYIF-RKDXNWHRSA-N 0 1 242.275 0.321 20 5 BCBDMN C/C=C/C[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729036 585338949 /nfs/dbraw/zinc/33/89/49/585338949.db2.gz VAYQRZZVUMUWAG-BKTAMIDGSA-N 0 1 228.248 0.095 20 5 BCBDMN C[C@H]1COCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762882 585338984 /nfs/dbraw/zinc/33/89/84/585338984.db2.gz VIXUAAKCLJNUHJ-AXTSPUMRSA-N 0 1 242.275 0.440 20 5 BCBDMN CC(C)[C@H](CO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839764531 585339140 /nfs/dbraw/zinc/33/91/40/585339140.db2.gz DFJZNHQWKITLEE-DJLDLDEBSA-N 0 1 230.264 0.032 20 5 BCBDMN O=C(NC[C@@H]1CCCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839769676 585339475 /nfs/dbraw/zinc/33/94/75/585339475.db2.gz HVBVMOBMGXTWOZ-DJLDLDEBSA-N 0 1 244.316 0.911 20 5 BCBDMN CCN(C[C@H](C)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839775460 585341011 /nfs/dbraw/zinc/34/10/11/585341011.db2.gz UOZWGBCHMMRGRP-DJLDLDEBSA-N 0 1 230.264 0.535 20 5 BCBDMN O=C(N[C@@H](CO)C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839775008 585341144 /nfs/dbraw/zinc/34/11/44/585341144.db2.gz QMZPDEYUZGTHAZ-KXUCPTDWSA-N 0 1 242.275 0.319 20 5 BCBDMN Cc1ccnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839776762 585341185 /nfs/dbraw/zinc/34/11/85/585341185.db2.gz CEYBCNPCYMSLTK-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN COCC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777956 585341378 /nfs/dbraw/zinc/34/13/78/585341378.db2.gz UMSIXUAGYMMDMU-HTQZYQBOSA-N 0 1 230.264 0.440 20 5 BCBDMN Cc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1 ZINC000839790403 585341459 /nfs/dbraw/zinc/34/14/59/585341459.db2.gz BOOHWBJOJJOECI-GHMZBOCLSA-N 0 1 249.270 0.714 20 5 BCBDMN CCOC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839780601 585341583 /nfs/dbraw/zinc/34/15/83/585341583.db2.gz BZMGHCPBLBPGMT-HTQZYQBOSA-N 0 1 228.248 0.289 20 5 BCBDMN CC[C@](C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839783248 585341947 /nfs/dbraw/zinc/34/19/47/585341947.db2.gz PGHUOWFKIZSDKD-NQMVMOMDSA-N 0 1 230.264 0.583 20 5 BCBDMN CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839799391 585514323 /nfs/dbraw/zinc/51/43/23/585514323.db2.gz KWLBRSYROPSJLM-BZNPZCIMSA-N 0 1 228.248 0.335 20 5 BCBDMN CC(=O)NC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052008 585972745 /nfs/dbraw/zinc/97/27/45/585972745.db2.gz JUYFHHWTNKJBLC-JTQLQIEISA-N 0 1 229.280 0.111 20 5 BCBDMN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1 ZINC000839836024 586131385 /nfs/dbraw/zinc/13/13/85/586131385.db2.gz OLZGZKSQHNLCFV-WCTZXXKLSA-N 0 1 230.289 0.662 20 5 BCBDMN C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)O1 ZINC000839843700 586135931 /nfs/dbraw/zinc/13/59/31/586135931.db2.gz CSKIFMKQJHTFRD-SOYHJAILSA-N 0 1 242.275 0.581 20 5 BCBDMN CO[C@H](C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840361546 586894248 /nfs/dbraw/zinc/89/42/48/586894248.db2.gz YNPATQFVYCLQSV-OPRDCNLKSA-N 0 1 244.291 0.924 20 5 BCBDMN CC(=O)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840406489 587068704 /nfs/dbraw/zinc/06/87/04/587068704.db2.gz MGMJEVJDIJZFTD-HTQZYQBOSA-N 0 1 214.221 0.089 20 5 BCBDMN COCC(C)(C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840461640 587105515 /nfs/dbraw/zinc/10/55/15/587105515.db2.gz KMLNSTGDMLJLRO-HTQZYQBOSA-N 0 1 230.264 0.535 20 5 BCBDMN CC[C@@H]1[C@H](CO)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840470841 587165257 /nfs/dbraw/zinc/16/52/57/587165257.db2.gz FKHMGKYJDCHYSU-SGIHWFKDSA-N 0 1 242.275 0.271 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnccn1 ZINC000824344982 587266683 /nfs/dbraw/zinc/26/66/83/587266683.db2.gz IRKNEKQPJBZDFG-LKEWCRSYSA-N 0 1 236.231 0.319 20 5 BCBDMN CN(C)C1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000827515854 587385728 /nfs/dbraw/zinc/38/57/28/587385728.db2.gz HMPZVAQSUIQDJU-UHFFFAOYSA-N 0 1 243.307 0.594 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCOCC2 ZINC000831877203 587635564 /nfs/dbraw/zinc/63/55/64/587635564.db2.gz XWAZZEYCYMLCKA-RKDXNWHRSA-N 0 1 240.259 0.291 20 5 BCBDMN CCC[C@H](O)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000832680483 587676899 /nfs/dbraw/zinc/67/68/99/587676899.db2.gz DSTSHTJDFNASFF-DJLDLDEBSA-N 0 1 230.264 0.319 20 5 BCBDMN CSCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670557 587915625 /nfs/dbraw/zinc/91/56/25/587915625.db2.gz IFZWVVFIXUSTOY-RNFRBKRXSA-N 0 1 219.262 0.948 20 5 BCBDMN CC(=O)[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673057 587915832 /nfs/dbraw/zinc/91/58/32/587915832.db2.gz XOAUKIZJJNEUSL-RRKCRQDMSA-N 0 1 201.178 0.172 20 5 BCBDMN CC[C@@H](C)NC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672534 587915862 /nfs/dbraw/zinc/91/58/62/587915862.db2.gz SSCCDIXUCAVNOM-BWZBUEFSSA-N 0 1 244.247 0.110 20 5 BCBDMN COC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000840671949 587915902 /nfs/dbraw/zinc/91/59/02/587915902.db2.gz AHYKIOVCBWVKDJ-PRJMDXOYSA-N 0 1 245.231 0.392 20 5 BCBDMN O=C(OCCC1(O)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674258 587916066 /nfs/dbraw/zinc/91/60/66/587916066.db2.gz JDLDMGQZNDWSMC-HTQZYQBOSA-N 0 1 229.232 0.500 20 5 BCBDMN COC(C)(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673629 587916204 /nfs/dbraw/zinc/91/62/04/587916204.db2.gz WGDAWPIJFVWEPQ-RNFRBKRXSA-N 0 1 245.231 0.189 20 5 BCBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000840673303 587916207 /nfs/dbraw/zinc/91/62/07/587916207.db2.gz YHGNQUCZAUXRQB-FSDSQADBSA-N 0 1 231.204 0.146 20 5 BCBDMN COC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000840673398 587916299 /nfs/dbraw/zinc/91/62/99/587916299.db2.gz NQVIODNEHDFMCV-PRJMDXOYSA-N 0 1 243.215 0.146 20 5 BCBDMN CO[C@@H]1CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000841220234 587949394 /nfs/dbraw/zinc/94/93/94/587949394.db2.gz LBMZHKPTSYWQMD-BZNPZCIMSA-N 0 1 229.232 0.762 20 5 BCBDMN O=C(OCCc1cn[nH]c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842318546 588017101 /nfs/dbraw/zinc/01/71/01/588017101.db2.gz MZVRBTWADSXFNW-HTQZYQBOSA-N 0 1 225.204 0.161 20 5 BCBDMN C[C@H]1COCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842372112 588022036 /nfs/dbraw/zinc/02/20/36/588022036.db2.gz MHWSRZAOWPYMEN-KDXUFGMBSA-N 0 1 229.232 0.620 20 5 BCBDMN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000843738240 588136507 /nfs/dbraw/zinc/13/65/07/588136507.db2.gz YSCOVPGFAKQFQU-VVULQXIFSA-N 0 1 224.260 0.956 20 5 BCBDMN CCn1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000844740174 588215514 /nfs/dbraw/zinc/21/55/14/588215514.db2.gz FOJUYAFBBIRRPB-RKDXNWHRSA-N 0 1 239.231 0.611 20 5 BCBDMN O=C(N[C@H]1C[C@@H]1c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000848379357 588374823 /nfs/dbraw/zinc/37/48/23/588374823.db2.gz MWVPKOCVKGTDGU-CHWFTXMASA-N 0 1 247.254 0.719 20 5 BCBDMN CC(C)[C@@H](O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000849806167 588501703 /nfs/dbraw/zinc/50/17/03/588501703.db2.gz FCFWISGTQOKJMP-PRJMDXOYSA-N 0 1 217.221 0.212 20 5 BCBDMN CCOC(=O)C[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851519751 588608576 /nfs/dbraw/zinc/60/85/76/588608576.db2.gz IRCMNXKRGDFOOQ-BWZBUEFSSA-N 0 1 245.231 0.537 20 5 BCBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863000667 589250675 /nfs/dbraw/zinc/25/06/75/589250675.db2.gz ZDAPZACQFJSAQJ-XJHPQEAJSA-N 0 1 242.275 0.580 20 5 BCBDMN CC(=O)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000868596773 589566188 /nfs/dbraw/zinc/56/61/88/589566188.db2.gz KJUXFCDODZAOCL-RKDXNWHRSA-N 0 1 228.248 0.478 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]1C(F)F ZINC000868609701 589567613 /nfs/dbraw/zinc/56/76/13/589567613.db2.gz OCVASYLTWLJCHH-NGJCXOISSA-N 0 1 220.175 0.518 20 5 BCBDMN CC(C)(F)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869622006 589617218 /nfs/dbraw/zinc/61/72/18/589617218.db2.gz NZYRQVOQWGJBIR-PHDIDXHHSA-N 0 1 204.201 0.516 20 5 BCBDMN CC[C@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000870678708 589683034 /nfs/dbraw/zinc/68/30/34/589683034.db2.gz GHLNZJIOSWKOKE-KKZNHRDASA-N 0 1 242.275 0.415 20 5 BCBDMN COC(C)(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000871260021 589752537 /nfs/dbraw/zinc/75/25/37/589752537.db2.gz WUSVEBZXLDMCCZ-HTQZYQBOSA-N 0 1 230.264 0.583 20 5 BCBDMN O=C(NC1CC2(CSC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000871504750 589759921 /nfs/dbraw/zinc/75/99/21/589759921.db2.gz FOIZIGIYKDTGHH-HTQZYQBOSA-N 0 1 242.300 0.663 20 5 BCBDMN CO[C@H]1C[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000873401956 590038594 /nfs/dbraw/zinc/03/85/94/590038594.db2.gz DBHSTHJZNPOABY-BZNPZCIMSA-N 0 1 229.232 0.620 20 5 BCBDMN CO[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000881578482 591247762 /nfs/dbraw/zinc/24/77/62/591247762.db2.gz QYXYAUOOQHRGTJ-FNCVBFRFSA-N 0 1 228.248 0.193 20 5 BCBDMN C[C@H](Cc1cccnc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889671845 592641199 /nfs/dbraw/zinc/64/11/99/592641199.db2.gz KYRDCOOGKWNEDK-FBIMIBRVSA-N 0 1 249.270 0.794 20 5 BCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000928544194 636079471 /nfs/dbraw/zinc/07/94/71/636079471.db2.gz PYFPDZWVGNUCSC-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN CCO[C@@H]1C[C@@H](NCC[N+](=O)[O-])[C@@H]1OC ZINC000905214737 637699364 /nfs/dbraw/zinc/69/93/64/637699364.db2.gz VSALKVIYJDRCGV-HLTSFMKQSA-N 0 1 218.253 0.045 20 5 BCBDMN CCO[C@@H]1C[C@H](NCC[N+](=O)[O-])[C@@H]1OC ZINC000905214739 637699459 /nfs/dbraw/zinc/69/94/59/637699459.db2.gz VSALKVIYJDRCGV-YIZRAAEISA-N 0 1 218.253 0.045 20 5 BCBDMN CC(C)(CCNCC[N+](=O)[O-])S(C)(=O)=O ZINC000905287040 637739387 /nfs/dbraw/zinc/73/93/87/637739387.db2.gz 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20 5 BCBDMN CCC[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839460018 585103430 /nfs/dbraw/zinc/10/34/30/585103430.db2.gz BIQBXOUZTAMSCQ-BWZBUEFSSA-N 0 1 200.238 0.956 20 5 BCBDMN CN(Cc1ccncc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839492757 585105514 /nfs/dbraw/zinc/10/55/14/585105514.db2.gz DKQGBRIMOOGMMS-NXEZZACHSA-N 0 1 235.243 0.705 20 5 BCBDMN Cc1cccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000839550295 585330322 /nfs/dbraw/zinc/33/03/22/585330322.db2.gz IEGCVEYBIZSLBK-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN CCO[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839576059 585330596 /nfs/dbraw/zinc/33/05/96/585330596.db2.gz LKRJWORBPYLUEU-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839597887 585331626 /nfs/dbraw/zinc/33/16/26/585331626.db2.gz HPMJVKWSXOAZHS-IVZWLZJFSA-N 0 1 242.275 0.537 20 5 BCBDMN O=C(Nc1ccc[nH]c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839607543 585331833 /nfs/dbraw/zinc/33/18/33/585331833.db2.gz HZKCLHBBMFVQLY-IYSWYEEDSA-N 0 1 223.188 0.391 20 5 BCBDMN CCC(O)(CC)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839691231 585335204 /nfs/dbraw/zinc/33/52/04/585335204.db2.gz INBOMCKJOVCZLE-HTQZYQBOSA-N 0 1 230.264 0.319 20 5 BCBDMN C[C@@H]1CSCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688384 585335251 /nfs/dbraw/zinc/33/52/51/585335251.db2.gz QMUMRIDPQFXIGE-BWZBUEFSSA-N 0 1 230.289 0.616 20 5 BCBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839692544 585335448 /nfs/dbraw/zinc/33/54/48/585335448.db2.gz UNUPQDPJZFTBQM-IWSPIJDZSA-N 0 1 230.264 0.439 20 5 BCBDMN CC(C)(CO)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703003 585335523 /nfs/dbraw/zinc/33/55/23/585335523.db2.gz CWNBKGLCRDOTME-RKDXNWHRSA-N 0 1 244.291 0.567 20 5 BCBDMN Cc1cnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839694210 585335667 /nfs/dbraw/zinc/33/56/67/585335667.db2.gz VHFKQRIJYTYFEA-RNFRBKRXSA-N 0 1 241.272 0.733 20 5 BCBDMN CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839700124 585335996 /nfs/dbraw/zinc/33/59/96/585335996.db2.gz QGBTUUNWPISVFP-SGIHWFKDSA-N 0 1 242.275 0.678 20 5 BCBDMN C[C@H]1COC(C)(C)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839735844 585337427 /nfs/dbraw/zinc/33/74/27/585337427.db2.gz AQHGHCHRXPKJAI-DJLDLDEBSA-N 0 1 242.275 0.678 20 5 BCBDMN C[C@H]1COCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839713025 585337906 /nfs/dbraw/zinc/33/79/06/585337906.db2.gz OOHCFANHTXSDDN-IWSPIJDZSA-N 0 1 228.248 0.147 20 5 BCBDMN CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712507 585337947 /nfs/dbraw/zinc/33/79/47/585337947.db2.gz IXRJEIUZDDQKES-SGIHWFKDSA-N 0 1 242.275 0.271 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCO1 ZINC000839713541 585337950 /nfs/dbraw/zinc/33/79/50/585337950.db2.gz UNJIBCSBKJLMJE-UTINFBMNSA-N 0 1 242.275 0.725 20 5 BCBDMN O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713131 585338051 /nfs/dbraw/zinc/33/80/51/585338051.db2.gz ULOMPTDSGCWXSQ-FNCVBFRFSA-N 0 1 228.248 0.071 20 5 BCBDMN CC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839713299 585338094 /nfs/dbraw/zinc/33/80/94/585338094.db2.gz SHPGSXZYITXWPO-RKDXNWHRSA-N 0 1 210.233 0.830 20 5 BCBDMN C[C@H]1CCOCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719687 585338246 /nfs/dbraw/zinc/33/82/46/585338246.db2.gz XETVGNORUSWPQX-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN COC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839718575 585338249 /nfs/dbraw/zinc/33/82/49/585338249.db2.gz JJQMOBICBTXCJU-RKDXNWHRSA-N 0 1 242.275 0.679 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC=C(F)C1 ZINC000839717052 585338301 /nfs/dbraw/zinc/33/83/01/585338301.db2.gz HOLDSMZVDMWSTE-HTQZYQBOSA-N 0 1 214.196 0.737 20 5 BCBDMN CO[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719563 585338322 /nfs/dbraw/zinc/33/83/22/585338322.db2.gz SFDKRFFKJYEAFE-SGIHWFKDSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839716432 585338409 /nfs/dbraw/zinc/33/84/09/585338409.db2.gz BWLMMDSHOIITRZ-JDDHQFAOSA-N 0 1 242.275 0.724 20 5 BCBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839719716 585338417 /nfs/dbraw/zinc/33/84/17/585338417.db2.gz YAUUMCIVBLEVQR-BWZBUEFSSA-N 0 1 244.247 0.110 20 5 BCBDMN CC[C@H](CSC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839717176 585338491 /nfs/dbraw/zinc/33/84/91/585338491.db2.gz BOCLSMRBOOECMB-BWZBUEFSSA-N 0 1 232.305 0.909 20 5 BCBDMN CO[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839722340 585338562 /nfs/dbraw/zinc/33/85/62/585338562.db2.gz FFVVVULYPUVQRB-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN C[C@H]1COCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762883 585339138 /nfs/dbraw/zinc/33/91/38/585339138.db2.gz VIXUAAKCLJNUHJ-SGIHWFKDSA-N 0 1 242.275 0.440 20 5 BCBDMN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839746358 585340018 /nfs/dbraw/zinc/34/00/18/585340018.db2.gz WNDVXGBVBXSMNE-ANZWQOBJSA-N 0 1 210.233 0.566 20 5 BCBDMN COCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839758136 585340559 /nfs/dbraw/zinc/34/05/59/585340559.db2.gz QQTFXLWQMVTAIQ-RKDXNWHRSA-N 0 1 242.275 0.585 20 5 BCBDMN CCOCC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839772901 585340922 /nfs/dbraw/zinc/34/09/22/585340922.db2.gz HLCNEWVTDWDYJW-RKDXNWHRSA-N 0 1 244.291 0.831 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC000839779484 585341277 /nfs/dbraw/zinc/34/12/77/585341277.db2.gz IADNZWTUGRFMBQ-NGJCXOISSA-N 0 1 222.191 0.812 20 5 BCBDMN Cc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC000839781537 585341563 /nfs/dbraw/zinc/34/15/63/585341563.db2.gz SKWQAAFWNCXRNK-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN CCC(CC)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839779987 585341608 /nfs/dbraw/zinc/34/16/08/585341608.db2.gz VPJAHEFIMPPEGR-RKDXNWHRSA-N 0 1 244.291 0.973 20 5 BCBDMN CC[C@@H](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839781419 585341728 /nfs/dbraw/zinc/34/17/28/585341728.db2.gz OYAONVWMTPEZTO-KYXWUPHJSA-N 0 1 244.291 0.829 20 5 BCBDMN CS[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839784284 585342033 /nfs/dbraw/zinc/34/20/33/585342033.db2.gz UPBGRMLGBMQXHO-XLPZGREQSA-N 0 1 230.289 0.616 20 5 BCBDMN CO[C@H]([C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839786453 585342074 /nfs/dbraw/zinc/34/20/74/585342074.db2.gz DGYXONLZEDVXJK-PEBGCTIMSA-N 0 1 242.275 0.581 20 5 BCBDMN COC[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839793403 585418923 /nfs/dbraw/zinc/41/89/23/585418923.db2.gz RMKYSDGZHYSDRL-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN O=[N+]([O-])CCN1CCS[C@H]2COCC[C@H]21 ZINC000791051959 585972889 /nfs/dbraw/zinc/97/28/89/585972889.db2.gz ISOXNZQGYRACGP-BDAKNGLRSA-N 0 1 232.305 0.469 20 5 BCBDMN CCCCCN(CCO)CC[N+](=O)[O-] ZINC000791051400 585972944 /nfs/dbraw/zinc/97/29/44/585972944.db2.gz CKBMSSUOSHBEMC-UHFFFAOYSA-N 0 1 204.270 0.748 20 5 BCBDMN COC(=O)[C@@H](C)CN(C)CC[N+](=O)[O-] ZINC000791054783 585972981 /nfs/dbraw/zinc/97/29/81/585972981.db2.gz XTBFCFQGIXZKDX-ZETCQYMHSA-N 0 1 204.226 0.004 20 5 BCBDMN O=[N+]([O-])CCN1CCC(n2ccnc2)CC1 ZINC000791054172 585973463 /nfs/dbraw/zinc/97/34/63/585973463.db2.gz YHAYFTBUEGGHEX-UHFFFAOYSA-N 0 1 224.264 0.797 20 5 BCBDMN O=[N+]([O-])CC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000798196367 586140118 /nfs/dbraw/zinc/14/01/18/586140118.db2.gz VGTMOBCBZQRNOS-SECBINFHSA-N 0 1 230.264 0.348 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@@H](C2OCCO2)C1 ZINC000798196367 586140119 /nfs/dbraw/zinc/14/01/19/586140119.db2.gz VGTMOBCBZQRNOS-SECBINFHSA-N 0 1 230.264 0.348 20 5 BCBDMN O=C(NCc1ccc(=O)[nH]c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840355615 586881598 /nfs/dbraw/zinc/88/15/98/586881598.db2.gz JNDIHEAXEKSRBS-HTQZYQBOSA-N 0 1 237.215 0.069 20 5 BCBDMN COC(=O)CC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840361444 586894341 /nfs/dbraw/zinc/89/43/41/586894341.db2.gz GUAGJINKCUHTFD-RNFRBKRXSA-N 0 1 244.247 0.110 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000819624508 586981514 /nfs/dbraw/zinc/98/15/14/586981514.db2.gz JLNUGDGVENEJJA-UOWFLXDJSA-N 0 1 226.154 0.719 20 5 BCBDMN CC[C@@]1(C)COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409926 587098183 /nfs/dbraw/zinc/09/81/83/587098183.db2.gz UOVRWFXJMYLQNO-KKZNHRDASA-N 0 1 242.275 0.679 20 5 BCBDMN C[C@@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCOC1 ZINC000840410217 587098255 /nfs/dbraw/zinc/09/82/55/587098255.db2.gz AVVIAVRBZGVQND-NQMVMOMDSA-N 0 1 228.248 0.337 20 5 BCBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC000840439285 587103191 /nfs/dbraw/zinc/10/31/91/587103191.db2.gz JLPIJSBWLBFCBF-RFZPGFLSSA-N 0 1 222.191 0.812 20 5 BCBDMN CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)[O-] ZINC000829713719 587511132 /nfs/dbraw/zinc/51/11/32/587511132.db2.gz OIGSSHKVJQVSEV-UHFFFAOYSA-N 0 1 242.235 0.198 20 5 BCBDMN CCSCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840670728 587915572 /nfs/dbraw/zinc/91/55/72/587915572.db2.gz WJOWMMJUUPVHFI-RNFRBKRXSA-N 0 1 219.262 0.948 20 5 BCBDMN CCCC(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671658 587915742 /nfs/dbraw/zinc/91/57/42/587915742.db2.gz YTTBNKUOHIZMOS-HTQZYQBOSA-N 0 1 215.205 0.564 20 5 BCBDMN O=C(OC[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000840670764 587915919 /nfs/dbraw/zinc/91/59/19/587915919.db2.gz XAFGDIJUANNXIF-DJLDLDEBSA-N 0 1 229.232 0.764 20 5 BCBDMN CC(=O)c1cnccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841194414 587948761 /nfs/dbraw/zinc/94/87/61/587948761.db2.gz MQRRMEATBCJZLP-GMSGAONNSA-N 0 1 249.226 0.310 20 5 BCBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000841207992 587949029 /nfs/dbraw/zinc/94/90/29/587949029.db2.gz BAMFQNHYSOZFIK-ZXFLCMHBSA-N 0 1 239.231 0.690 20 5 BCBDMN O=C(Nc1cccc2nonc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841220685 587949171 /nfs/dbraw/zinc/94/91/71/587949171.db2.gz NQKHXDBBHNOGKZ-SVGQVSJJSA-N 0 1 248.198 0.827 20 5 BCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccnn1C ZINC000841207987 587949310 /nfs/dbraw/zinc/94/93/10/587949310.db2.gz BAMFQNHYSOZFIK-LKEWCRSYSA-N 0 1 239.231 0.690 20 5 BCBDMN COC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842325117 588018224 /nfs/dbraw/zinc/01/82/24/588018224.db2.gz SGSOOIMKBKRUGL-IWSPIJDZSA-N 0 1 229.232 0.620 20 5 BCBDMN O=C(OCC1(F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842345373 588020146 /nfs/dbraw/zinc/02/01/46/588020146.db2.gz JLGIEFPTHRMOIG-PHDIDXHHSA-N 0 1 203.169 0.697 20 5 BCBDMN C[C@@H]1OCC[C@@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842355087 588020840 /nfs/dbraw/zinc/02/08/40/588020840.db2.gz UVDIHFGTEAKASY-JQCXWYLXSA-N 0 1 229.232 0.620 20 5 BCBDMN CC[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000842361798 588020858 /nfs/dbraw/zinc/02/08/58/588020858.db2.gz MQCDGSURXJJARQ-XLPZGREQSA-N 0 1 245.231 0.394 20 5 BCBDMN CO[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000842368025 588021768 /nfs/dbraw/zinc/02/17/68/588021768.db2.gz PHTFIHVXEKNGCG-HLTSFMKQSA-N 0 1 229.232 0.620 20 5 BCBDMN C[C@H]1COCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842372110 588022285 /nfs/dbraw/zinc/02/22/85/588022285.db2.gz MHWSRZAOWPYMEN-JQCXWYLXSA-N 0 1 229.232 0.620 20 5 BCBDMN CCC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846358284 588265042 /nfs/dbraw/zinc/26/50/42/588265042.db2.gz COSMMXVBIDYEHX-DOLQZWNJSA-N 0 1 244.291 0.565 20 5 BCBDMN O=C(OCc1cnsn1)[C@@H]1CC1[N+](=O)[O-] ZINC000848766643 588413034 /nfs/dbraw/zinc/41/30/34/588413034.db2.gz ZJTVTSHLFIUPJO-PHDIDXHHSA-N 0 1 229.217 0.247 20 5 BCBDMN O=C(OCCC[N+](=O)[O-])c1ccc([N+](=O)[O-])[nH]1 ZINC000860913649 589131313 /nfs/dbraw/zinc/13/13/13/589131313.db2.gz FGUBLYOLSNFWHB-UHFFFAOYSA-N 0 1 243.175 0.747 20 5 BCBDMN O=C(NCC[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862395984 589208905 /nfs/dbraw/zinc/20/89/05/589208905.db2.gz ZAXPROOQRLMVMX-OPRDCNLKSA-N 0 1 242.275 0.585 20 5 BCBDMN CC(C)CC[C@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862780610 589241497 /nfs/dbraw/zinc/24/14/97/589241497.db2.gz VQZCBWFOAAVPBV-OPRDCNLKSA-N 0 1 244.291 0.565 20 5 BCBDMN O=C(N[C@H]1CO[C@H](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000863283742 589276156 /nfs/dbraw/zinc/27/61/56/589276156.db2.gz TXYJQHBHNOZAHZ-KYXWUPHJSA-N 0 1 240.259 0.335 20 5 BCBDMN CCNCc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642001 589386819 /nfs/dbraw/zinc/38/68/19/589386819.db2.gz GGQJHOKHQNYQBQ-UHFFFAOYSA-N 0 1 227.268 0.443 20 5 BCBDMN CO[C@@H]1CC[C@@H]1N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889326019 591098961 /nfs/dbraw/zinc/09/89/61/591098961.db2.gz VGTQRFJUXRJBAD-BZNPZCIMSA-N 0 1 228.248 0.287 20 5 BCBDMN O=C(NCCc1ccns1)[C@@H]1CC1[N+](=O)[O-] ZINC000881508133 591225620 /nfs/dbraw/zinc/22/56/20/591225620.db2.gz VUJFKKJMAKHYCN-HTQZYQBOSA-N 0 1 241.272 0.467 20 5 BCBDMN C=C/C=C/CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000881569167 591243372 /nfs/dbraw/zinc/24/33/72/591243372.db2.gz IBUDYKIFNLIMDR-HUGTUPKYSA-N 0 1 210.233 0.900 20 5 BCBDMN C[C@@H](Cc1cccnc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000889671846 592641653 /nfs/dbraw/zinc/64/16/53/592641653.db2.gz KYRDCOOGKWNEDK-JMJZKYOTSA-N 0 1 249.270 0.794 20 5 BCBDMN COC/C(C)=C/COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000909396336 634607990 /nfs/dbraw/zinc/60/79/90/634607990.db2.gz SCKBWXPSPSYDHB-FWZCLXCUSA-N 0 1 229.232 0.788 20 5 BCBDMN O=C(NCCNCC[N+](=O)[O-])c1cccs1 ZINC000905051732 637569405 /nfs/dbraw/zinc/56/94/05/637569405.db2.gz HEAJQCIOPNBHMD-UHFFFAOYSA-N 0 1 243.288 0.344 20 5 BCBDMN CC(C)NCc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000905059950 637596354 /nfs/dbraw/zinc/59/63/54/637596354.db2.gz ZDEGBVAUZZTERW-UHFFFAOYSA-N 0 1 241.295 0.831 20 5 BCBDMN CC1(C)OC[C@H](CNCC[N+](=O)[O-])O1 ZINC000905168541 637679349 /nfs/dbraw/zinc/67/93/49/637679349.db2.gz MDJKWAHWTMXBAI-ZETCQYMHSA-N 0 1 204.226 0.004 20 5 BCBDMN Cc1nnc(CCNCC[N+](=O)[O-])s1 ZINC000905259302 637716180 /nfs/dbraw/zinc/71/61/80/637716180.db2.gz CRFQLMBVSRNHQV-UHFFFAOYSA-N 0 1 216.266 0.255 20 5 BCBDMN C[C@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905345089 637767617 /nfs/dbraw/zinc/76/76/17/637767617.db2.gz LFUPJXZBIPTYDA-GXSJLCMTSA-N 0 1 224.260 0.975 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)c1cccc(F)c1 ZINC000905340957 637782714 /nfs/dbraw/zinc/78/27/14/637782714.db2.gz KKMCLXATXUNUSX-SNVBAGLBSA-N 0 1 228.223 0.725 20 5 BCBDMN 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O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000894335787 583426588 /nfs/dbraw/zinc/42/65/88/583426588.db2.gz CWIUJQPMSPPLSV-BZNPZCIMSA-N 0 1 242.300 0.473 20 5 BCBDMN CN(Cc1cnc[nH]1)c1c([N+](=O)[O-])cnn1C ZINC000894472270 583468308 /nfs/dbraw/zinc/46/83/08/583468308.db2.gz RUZGQMSLLIHONN-UHFFFAOYSA-N 0 1 236.235 0.688 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](CF)C1 ZINC000881677513 583583093 /nfs/dbraw/zinc/58/30/93/583583093.db2.gz PDPSCTZGRSZWQL-XLPZGREQSA-N 0 1 216.212 0.470 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H]1COc2ccccc2O1 ZINC000899861223 584242413 /nfs/dbraw/zinc/24/24/13/584242413.db2.gz XZLCAXFMQKKGMW-SECBINFHSA-N 0 1 238.243 0.693 20 5 BCBDMN O=[N+]([O-])CCNC[C@H](O)c1ccccc1 ZINC000899858838 584242815 /nfs/dbraw/zinc/24/28/15/584242815.db2.gz CQCAXJKORPVVHR-JTQLQIEISA-N 0 1 210.233 0.586 20 5 BCBDMN Cc1ccc([C@H](O)CNCC[N+](=O)[O-])cc1 ZINC000899870978 584244572 /nfs/dbraw/zinc/24/45/72/584244572.db2.gz PMDSRCQHLAURAD-LLVKDONJSA-N 0 1 224.260 0.895 20 5 BCBDMN COc1ccccc1[C@H](O)CNCC[N+](=O)[O-] ZINC000899870733 584244804 /nfs/dbraw/zinc/24/48/04/584244804.db2.gz OMHBWOVOLUNGTM-SNVBAGLBSA-N 0 1 240.259 0.595 20 5 BCBDMN O=[N+]([O-])c1ccnn1Cc1[nH]nc2c1COCC2 ZINC000901472182 584451975 /nfs/dbraw/zinc/45/19/75/584451975.db2.gz ULNOASZLGRBZNE-UHFFFAOYSA-N 0 1 249.230 0.635 20 5 BCBDMN C[C@@H]1C[C@H](CO)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000831228458 584909192 /nfs/dbraw/zinc/90/91/92/584909192.db2.gz SJXWGMBATOMXMC-ZYUZMQFOSA-N 0 1 242.275 0.271 20 5 BCBDMN CN(Cc1ccoc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839570270 585330463 /nfs/dbraw/zinc/33/04/63/585330463.db2.gz CRBKACQUJLOIHU-RKDXNWHRSA-N 0 1 224.216 0.903 20 5 BCBDMN CC(C)(C)OCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839606318 585331928 /nfs/dbraw/zinc/33/19/28/585331928.db2.gz DQCFKYFBKWDSCU-HTQZYQBOSA-N 0 1 230.264 0.583 20 5 BCBDMN O=C(Nc1cnc(C2CC2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839648083 585333507 /nfs/dbraw/zinc/33/35/07/585333507.db2.gz IRCRXCSLYZTGEI-RKDXNWHRSA-N 0 1 248.242 0.958 20 5 BCBDMN O=C(N[C@@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839690922 585335287 /nfs/dbraw/zinc/33/52/87/585335287.db2.gz KDNLDILSKSHTPH-FSDSQADBSA-N 0 1 216.262 0.273 20 5 BCBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839695147 585335502 /nfs/dbraw/zinc/33/55/02/585335502.db2.gz ZZKLUCQHARZIRY-IWSPIJDZSA-N 0 1 230.264 0.439 20 5 BCBDMN C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccncc1 ZINC000839699289 585335560 /nfs/dbraw/zinc/33/55/60/585335560.db2.gz FRDQPYARJNDNBO-JMJZKYOTSA-N 0 1 249.270 0.967 20 5 BCBDMN CC[C@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696959 585335678 /nfs/dbraw/zinc/33/56/78/585335678.db2.gz BQUQWNUXEURIDS-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN CCC[C@H](CCO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839694036 585335775 /nfs/dbraw/zinc/33/57/75/585335775.db2.gz KUNVFFPIRNYWOV-OPRDCNLKSA-N 0 1 244.291 0.567 20 5 BCBDMN CC[C@@H]1COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696961 585335778 /nfs/dbraw/zinc/33/57/78/585335778.db2.gz BQUQWNUXEURIDS-IWSPIJDZSA-N 0 1 228.248 0.289 20 5 BCBDMN CC[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839700887 585335861 /nfs/dbraw/zinc/33/58/61/585335861.db2.gz NLIZCTDRYISVBV-IWSPIJDZSA-N 0 1 212.249 0.910 20 5 BCBDMN C[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839701229 585335991 /nfs/dbraw/zinc/33/59/91/585335991.db2.gz NPDIXSSOVKJIOX-FBIMIBRVSA-N 0 1 249.270 0.794 20 5 BCBDMN CC[C@]1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839733766 585337327 /nfs/dbraw/zinc/33/73/27/585337327.db2.gz MRPSVHXKRNTGML-FXPVBKGRSA-N 0 1 242.275 0.679 20 5 BCBDMN O=C(NCCOCC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839733648 585337353 /nfs/dbraw/zinc/33/73/53/585337353.db2.gz LWLSHECWNPRTEG-PHDIDXHHSA-N 0 1 238.190 0.050 20 5 BCBDMN CCOC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839735029 585337379 /nfs/dbraw/zinc/33/73/79/585337379.db2.gz USRHKNROHFXGIR-KXUCPTDWSA-N 0 1 244.291 0.829 20 5 BCBDMN CC(C)[C@@H](CCO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839705700 585337744 /nfs/dbraw/zinc/33/77/44/585337744.db2.gz IMHLTLDFTHGCOG-IWSPIJDZSA-N 0 1 230.264 0.175 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCC1 ZINC000839713825 585337895 /nfs/dbraw/zinc/33/78/95/585337895.db2.gz WUYOFNJYZXWQLM-FTLITQJKSA-N 0 1 212.249 0.956 20 5 BCBDMN Cc1cncc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839714652 585338078 /nfs/dbraw/zinc/33/80/78/585338078.db2.gz MKPVLZSRZCLIKC-NXEZZACHSA-N 0 1 235.243 0.671 20 5 BCBDMN CCC(CC)(CO)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839713924 585338120 /nfs/dbraw/zinc/33/81/20/585338120.db2.gz VMSAPEPOZWJHCJ-RKDXNWHRSA-N 0 1 244.291 0.567 20 5 BCBDMN CN(C[C@@H]1CCC[C@@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712503 585338125 /nfs/dbraw/zinc/33/81/25/585338125.db2.gz IXRJEIUZDDQKES-JLIMGVALSA-N 0 1 242.275 0.271 20 5 BCBDMN CCC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839713803 585338202 /nfs/dbraw/zinc/33/82/02/585338202.db2.gz GDMQSBFSFYCCGB-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN CC(C)(O)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839719201 585338451 /nfs/dbraw/zinc/33/84/51/585338451.db2.gz WKKZIWYLNPMPOC-IWSPIJDZSA-N 0 1 242.275 0.414 20 5 BCBDMN C[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1F ZINC000839723857 585338557 /nfs/dbraw/zinc/33/85/57/585338557.db2.gz KOPAEGAXQULXAC-UYXSQOIJSA-N 0 1 230.239 0.858 20 5 BCBDMN CC1(C)CC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839765026 585339070 /nfs/dbraw/zinc/33/90/70/585339070.db2.gz JLDZGEPOMWKRMQ-BWZBUEFSSA-N 0 1 212.249 0.956 20 5 BCBDMN C[C@H]1CSC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839761537 585339129 /nfs/dbraw/zinc/33/91/29/585339129.db2.gz IUOXXUXWNPIHBB-FKSUSPILSA-N 0 1 230.289 0.519 20 5 BCBDMN CO[C@H](C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839764677 585339201 /nfs/dbraw/zinc/33/92/01/585339201.db2.gz FWXWBZQDZSMXIH-BWZBUEFSSA-N 0 1 216.237 0.145 20 5 BCBDMN O=C(NCCCOC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839758827 585340545 /nfs/dbraw/zinc/34/05/45/585340545.db2.gz FDAIWFMYIQNKBF-PHDIDXHHSA-N 0 1 238.190 0.397 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H](F)[C@@H](F)C1 ZINC000839782385 585341588 /nfs/dbraw/zinc/34/15/88/585341588.db2.gz GZZBEXLIBHQWGN-MVIOUDGNSA-N 0 1 220.175 0.170 20 5 BCBDMN CC[C@@H]1C[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839782112 585341617 /nfs/dbraw/zinc/34/16/17/585341617.db2.gz CUUGBXDONZJOHB-BZNPZCIMSA-N 0 1 212.249 0.814 20 5 BCBDMN COC[C@@]1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839781392 585341750 /nfs/dbraw/zinc/34/17/50/585341750.db2.gz OGVMHUMQCGLCAE-KKZNHRDASA-N 0 1 242.275 0.537 20 5 BCBDMN CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839799536 585525676 /nfs/dbraw/zinc/52/56/76/585525676.db2.gz PXZHUEZPJWYHKN-JQCXWYLXSA-N 0 1 212.249 0.812 20 5 BCBDMN COCC[C@@H](C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839812212 585919520 /nfs/dbraw/zinc/91/95/20/585919520.db2.gz XNOHAICEFQDIEE-IWSPIJDZSA-N 0 1 230.264 0.440 20 5 BCBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c[nH]nn1 ZINC000789928880 585953883 /nfs/dbraw/zinc/95/38/83/585953883.db2.gz OXPKYSZSPHLHSR-UHFFFAOYSA-N 0 1 247.214 0.894 20 5 BCBDMN O=[N+]([O-])CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000798196371 586139989 /nfs/dbraw/zinc/13/99/89/586139989.db2.gz VGTMOBCBZQRNOS-VIFPVBQESA-N 0 1 230.264 0.348 20 5 BCBDMN O=[N+]([O-])CCN1CCC[C@H](C2OCCO2)C1 ZINC000798196371 586139990 /nfs/dbraw/zinc/13/99/90/586139990.db2.gz VGTMOBCBZQRNOS-VIFPVBQESA-N 0 1 230.264 0.348 20 5 BCBDMN COC1([C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839878027 586168631 /nfs/dbraw/zinc/16/86/31/586168631.db2.gz SLXCJMRYGDBGOY-IWSPIJDZSA-N 0 1 242.275 0.725 20 5 BCBDMN Nc1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000804548166 586399416 /nfs/dbraw/zinc/39/94/16/586399416.db2.gz SFMPHMCZGHCVQU-UHFFFAOYSA-N 0 1 248.246 0.950 20 5 BCBDMN C[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)[N+](=O)[O-] ZINC000813106304 586592998 /nfs/dbraw/zinc/59/29/98/586592998.db2.gz AHMCKRMZOKYZAT-RXMQYKEDSA-N 0 1 243.175 0.745 20 5 BCBDMN Cc1cnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000859720357 589056920 /nfs/dbraw/zinc/05/69/20/589056920.db2.gz KUTNFYXLDHSKOR-RNFRBKRXSA-N 0 1 226.188 0.691 20 5 BCBDMN CC(C)[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])N(C)C ZINC000814037209 586612118 /nfs/dbraw/zinc/61/21/18/586612118.db2.gz UJUWXJUPBXUUEF-BDAKNGLRSA-N 0 1 232.280 0.781 20 5 BCBDMN Cc1ccncc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840320000 586621964 /nfs/dbraw/zinc/62/19/64/586621964.db2.gz CLAVPQRVUKGKNU-VXNVDRBHSA-N 0 1 221.216 0.994 20 5 BCBDMN COCCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000819571718 586978801 /nfs/dbraw/zinc/97/88/01/586978801.db2.gz RMEYPKIOZKFFTH-RKDXNWHRSA-N 0 1 228.248 0.147 20 5 BCBDMN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC1[N+](=O)[O-] ZINC000819798084 586995471 /nfs/dbraw/zinc/99/54/71/586995471.db2.gz QSHDRCNIOSRWCH-ANZWQOBJSA-N 0 1 210.233 0.566 20 5 BCBDMN Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC000840399838 587000582 /nfs/dbraw/zinc/00/05/82/587000582.db2.gz RCAKFXDGGRNQOK-RKDXNWHRSA-N 0 1 221.216 0.994 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCO)C1CC1 ZINC000840407599 587083564 /nfs/dbraw/zinc/08/35/64/587083564.db2.gz JXCNSVDTZXGIED-RKDXNWHRSA-N 0 1 228.248 0.025 20 5 BCBDMN C[C@H](O)[C@@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840412314 587099267 /nfs/dbraw/zinc/09/92/67/587099267.db2.gz STEYZASZWIOTOK-QCLAVDOMSA-N 0 1 242.275 0.414 20 5 BCBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1F ZINC000822150763 587156860 /nfs/dbraw/zinc/15/68/60/587156860.db2.gz PCZCJINWRICYRJ-JAKMQLQISA-N 0 1 217.196 0.943 20 5 BCBDMN C[C@H](CC(C)(C)O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840474884 587192102 /nfs/dbraw/zinc/19/21/02/587192102.db2.gz RVFPJNSUIYSDKC-BWZBUEFSSA-N 0 1 230.264 0.317 20 5 BCBDMN C[C@@H](CC(C)(C)O)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840474886 587192177 /nfs/dbraw/zinc/19/21/77/587192177.db2.gz RVFPJNSUIYSDKC-XLPZGREQSA-N 0 1 230.264 0.317 20 5 BCBDMN C[C@H](N(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(C)O ZINC000840475524 587196556 /nfs/dbraw/zinc/19/65/56/587196556.db2.gz 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20 5 BCBDMN CCOC1CC(N(C)CC[N+](=O)[O-])C1 ZINC000930487587 639777455 /nfs/dbraw/zinc/77/74/55/639777455.db2.gz HZZCOJZIBYZWLG-UHFFFAOYSA-N 0 1 202.254 0.762 20 5 BCBDMN O=C([C@H]1CCN(CC[N+](=O)[O-])C1)N1CCCC1 ZINC000930490291 639782937 /nfs/dbraw/zinc/78/29/37/639782937.db2.gz QUNZHCIHYFJJHA-JTQLQIEISA-N 0 1 241.291 0.207 20 5 BCBDMN CC(C)O[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000930812082 639913670 /nfs/dbraw/zinc/91/36/70/639913670.db2.gz SROMHDIYMBYHAV-SECBINFHSA-N 0 1 202.254 0.762 20 5 BCBDMN CC(C)C[C@H]1C[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000933256136 642424244 /nfs/dbraw/zinc/42/42/44/642424244.db2.gz JXDJWLXNCNLILJ-NSHDSACASA-N 0 1 229.324 0.925 20 5 BCBDMN O=C(NC[C@@H]1CCC=CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839731158 644630903 /nfs/dbraw/zinc/63/09/03/644630903.db2.gz NNOLIZYZPULEAF-DJLDLDEBSA-N 0 1 226.232 0.461 20 5 BCBDMN CC(=O)CN(CC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817619419 644990279 /nfs/dbraw/zinc/99/02/79/644990279.db2.gz RSACNADCNZLNDV-NXEZZACHSA-N 0 1 242.275 0.725 20 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/nfs/dbraw/zinc/84/04/01/388840401.db2.gz UUYWVCKGYDKAHQ-UHFFFAOYSA-N 0 1 212.209 0.718 20 5 BCBDMN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1nnc[nH]1 ZINC000230875093 398066308 /nfs/dbraw/zinc/06/63/08/398066308.db2.gz YVWWZVJKOXCEAL-YFKPBYRVSA-N 0 1 235.207 0.676 20 5 BCBDMN CC(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159044956 167001594 /nfs/dbraw/zinc/00/15/94/167001594.db2.gz JFCLSIOENPPTFW-UHFFFAOYSA-N 0 1 212.209 0.704 20 5 BCBDMN Cc1cc(NCCN2CCC2)ncc1[N+](=O)[O-] ZINC000443886730 411647985 /nfs/dbraw/zinc/64/79/85/411647985.db2.gz UAOUMXFPSHLRNH-UHFFFAOYSA-N 0 1 236.275 1.416 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCCO1 ZINC000368910200 176259297 /nfs/dbraw/zinc/25/92/97/176259297.db2.gz PFDRUGHFVDJQKA-VGMNWLOBSA-N 0 1 228.248 0.289 20 5 BCBDMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn[nH]1 ZINC000048940708 323156269 /nfs/dbraw/zinc/15/62/69/323156269.db2.gz IMSHILLWYMOZHD-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN O=C(NCc1cccc([N+](=O)[O-])c1)c1cnn[nH]1 ZINC000049379620 323160049 /nfs/dbraw/zinc/16/00/49/323160049.db2.gz WXVDCKYCUUNOQA-UHFFFAOYSA-N 0 1 247.214 0.643 20 5 BCBDMN O=C(Nc1ncccc1O)c1n[nH]cc1[N+](=O)[O-] ZINC000159156925 326351073 /nfs/dbraw/zinc/35/10/73/326351073.db2.gz BDSJWWVCHGKYMG-UHFFFAOYSA-N 0 1 249.186 0.671 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1C(F)(F)F ZINC000854518130 588790119 /nfs/dbraw/zinc/79/01/19/588790119.db2.gz KTURETFSFHTYNL-HSUXUTPPSA-N 0 1 238.165 0.815 20 5 BCBDMN Cc1ncoc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854586051 588795929 /nfs/dbraw/zinc/79/59/29/588795929.db2.gz DLKAWZPKFGGXPY-RNFRBKRXSA-N 0 1 225.204 0.264 20 5 BCBDMN O=C(N[C@H]1COC[C@@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000891035317 582598699 /nfs/dbraw/zinc/59/86/99/582598699.db2.gz ASEJLCIEOQTGTO-DOLQZWNJSA-N 0 1 240.259 0.193 20 5 BCBDMN C[C@H]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000855794370 588848356 /nfs/dbraw/zinc/84/83/56/588848356.db2.gz FFSIJTJQCXDKCZ-SGIHWFKDSA-N 0 1 242.275 0.725 20 5 BCBDMN O=C(NCC1=CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000856097156 588860204 /nfs/dbraw/zinc/86/02/04/588860204.db2.gz GWTAMCJSZBAXGR-RKDXNWHRSA-N 0 1 210.233 0.878 20 5 BCBDMN CC1(C)C[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856139366 588862736 /nfs/dbraw/zinc/86/27/36/588862736.db2.gz UDSMQOOUHWIVJB-BRDIYROLSA-N 0 1 212.249 0.956 20 5 BCBDMN CC1(C)CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000856336049 588867663 /nfs/dbraw/zinc/86/76/63/588867663.db2.gz KWROXFHPAVWUTQ-HTQZYQBOSA-N 0 1 212.249 0.956 20 5 BCBDMN CC12CC(C1)CN2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856512469 588874321 /nfs/dbraw/zinc/87/43/21/588874321.db2.gz HXOPSMOSFPVGAL-FATLICPNSA-N 0 1 210.233 0.663 20 5 BCBDMN O=C(OCC[C@@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673822 583427201 /nfs/dbraw/zinc/42/72/01/583427201.db2.gz AHMWOQRJJWQRFX-DJLDLDEBSA-N 0 1 229.232 0.621 20 5 BCBDMN O=[N+]([O-])c1ccn(CCN2CC=C[C@H]2CO)n1 ZINC000880485616 583544271 /nfs/dbraw/zinc/54/42/71/583544271.db2.gz DVWACEHHLGDGRW-VIFPVBQESA-N 0 1 238.247 0.024 20 5 BCBDMN O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CC1[N+](=O)[O-] ZINC000889609287 583923123 /nfs/dbraw/zinc/92/31/23/583923123.db2.gz BMHUAQNGVXGUEO-SRQGCSHVSA-N 0 1 224.260 0.956 20 5 BCBDMN O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000898006016 584070425 /nfs/dbraw/zinc/07/04/25/584070425.db2.gz NDJABRYBKZHOEB-FNCVBFRFSA-N 0 1 228.248 0.071 20 5 BCBDMN C[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839460396 585103585 /nfs/dbraw/zinc/10/35/85/585103585.db2.gz JARIWMAEAAERNO-DJLDLDEBSA-N 0 1 212.249 0.910 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccnc1 ZINC000839467764 585104885 /nfs/dbraw/zinc/10/48/85/585104885.db2.gz IQVVWXILSUJOGD-SZEHBUNVSA-N 0 1 235.243 0.924 20 5 BCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839493931 585105313 /nfs/dbraw/zinc/10/53/13/585105313.db2.gz IOOAPSRKYNQZCW-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)CO1 ZINC000839512255 585106186 /nfs/dbraw/zinc/10/61/86/585106186.db2.gz HUIQFIIIJUIKFF-FNCVBFRFSA-N 0 1 228.248 0.287 20 5 BCBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839556335 585329848 /nfs/dbraw/zinc/32/98/48/585329848.db2.gz KHBVTIFILHECNW-HTQZYQBOSA-N 0 1 200.238 0.909 20 5 BCBDMN CN(Cc1ccccn1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839550336 585330173 /nfs/dbraw/zinc/33/01/73/585330173.db2.gz JEHXNWWWLOZCGC-NXEZZACHSA-N 0 1 235.243 0.705 20 5 BCBDMN Cc1occc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839566677 585330610 /nfs/dbraw/zinc/33/06/10/585330610.db2.gz GZNOBUWMBCDZQV-RKDXNWHRSA-N 0 1 224.216 0.869 20 5 BCBDMN Cc1cccnc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839658320 585333630 /nfs/dbraw/zinc/33/36/30/585333630.db2.gz LIJKUDIMAAESMQ-PSASIEDQSA-N 0 1 235.243 0.671 20 5 BCBDMN CC(C)[C@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690756 585335232 /nfs/dbraw/zinc/33/52/32/585335232.db2.gz FCTGWMUMWSOROM-NQMVMOMDSA-N 0 1 230.264 0.175 20 5 BCBDMN CSC[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686640 585335313 /nfs/dbraw/zinc/33/53/13/585335313.db2.gz RTHJSHHGGHCMDX-RRKCRQDMSA-N 0 1 218.278 0.519 20 5 BCBDMN CC1(C)[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]21 ZINC000839690420 585335361 /nfs/dbraw/zinc/33/53/61/585335361.db2.gz AQFJDPJARRDKOU-LURQLKTLSA-N 0 1 224.260 0.766 20 5 BCBDMN CCN(CCC(=O)OC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688530 585335388 /nfs/dbraw/zinc/33/53/88/585335388.db2.gz DJKCJXSNESFTAP-HTQZYQBOSA-N 0 1 244.247 0.063 20 5 BCBDMN CC(C)(C)C[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839686288 585335431 /nfs/dbraw/zinc/33/54/31/585335431.db2.gz LIDBJOGLOSRDHQ-IWSPIJDZSA-N 0 1 244.291 0.565 20 5 BCBDMN CC(C)[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690754 585335442 /nfs/dbraw/zinc/33/54/42/585335442.db2.gz FCTGWMUMWSOROM-MRTMQBJTSA-N 0 1 230.264 0.175 20 5 BCBDMN O=C(N[C@@H]1CCCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839699676 585335910 /nfs/dbraw/zinc/33/59/10/585335910.db2.gz XQTGDPJIZPZPDO-BWZBUEFSSA-N 0 1 230.289 0.663 20 5 BCBDMN CCCCN(CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839674978 585336901 /nfs/dbraw/zinc/33/69/01/585336901.db2.gz RODIPVZQSBIWEH-NXEZZACHSA-N 0 1 244.291 0.927 20 5 BCBDMN CO[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1C ZINC000839733181 585337217 /nfs/dbraw/zinc/33/72/17/585337217.db2.gz IWXFOBWPJJZPIK-JLIMGVALSA-N 0 1 242.275 0.535 20 5 BCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839680860 585337240 /nfs/dbraw/zinc/33/72/40/585337240.db2.gz OPIVDCDRDOFHLH-UTINFBMNSA-N 0 1 242.275 0.678 20 5 BCBDMN CO[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[C@@H]1C ZINC000839733183 585337254 /nfs/dbraw/zinc/33/72/54/585337254.db2.gz IWXFOBWPJJZPIK-SGIHWFKDSA-N 0 1 242.275 0.535 20 5 BCBDMN O=C(Nc1ccc(F)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839706459 585337727 /nfs/dbraw/zinc/33/77/27/585337727.db2.gz WOMDUNKNDQLZHZ-RNFRBKRXSA-N 0 1 225.179 0.824 20 5 BCBDMN CC[C@@H](C)[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708602 585337889 /nfs/dbraw/zinc/33/78/89/585337889.db2.gz LGRRLZFZSFIVNQ-FNCVBFRFSA-N 0 1 230.264 0.175 20 5 BCBDMN C[C@@H](O)C[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711902 585337912 /nfs/dbraw/zinc/33/79/12/585337912.db2.gz BATOXHDANAPCTJ-ZYUZMQFOSA-N 0 1 242.275 0.414 20 5 BCBDMN CC1(C)C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839711949 585337971 /nfs/dbraw/zinc/33/79/71/585337971.db2.gz CMPXXRMICIKOGC-IWSPIJDZSA-N 0 1 242.275 0.725 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000839713535 585338139 /nfs/dbraw/zinc/33/81/39/585338139.db2.gz UNJIBCSBKJLMJE-KYXWUPHJSA-N 0 1 242.275 0.725 20 5 BCBDMN C[C@]1(O)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839718942 585338311 /nfs/dbraw/zinc/33/83/11/585338311.db2.gz UDZNUZDWJUHLQF-MRTMQBJTSA-N 0 1 228.248 0.025 20 5 BCBDMN COCCC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839725758 585338546 /nfs/dbraw/zinc/33/85/46/585338546.db2.gz KKXKCXDCTJLVLU-HTQZYQBOSA-N 0 1 230.264 0.583 20 5 BCBDMN COC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839721651 585338760 /nfs/dbraw/zinc/33/87/60/585338760.db2.gz YGWIZCUAEOJQPR-HTQZYQBOSA-N 0 1 228.248 0.337 20 5 BCBDMN C[C@H]1OCC[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723698 585338820 /nfs/dbraw/zinc/33/88/20/585338820.db2.gz JXIVDXURICZGTH-DQUBFYRCSA-N 0 1 228.248 0.335 20 5 BCBDMN CC(C)C[C@@H](CO)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728057 585338837 /nfs/dbraw/zinc/33/88/37/585338837.db2.gz IQMOORYACVKFGP-IVZWLZJFSA-N 0 1 244.291 0.517 20 5 BCBDMN C[C@@H]1COCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839762885 585339021 /nfs/dbraw/zinc/33/90/21/585339021.db2.gz VIXUAAKCLJNUHJ-ZYUZMQFOSA-N 0 1 242.275 0.440 20 5 BCBDMN O=C(N[C@@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839770118 585339464 /nfs/dbraw/zinc/33/94/64/585339464.db2.gz JOJVNOMISPHSQU-FSDSQADBSA-N 0 1 234.202 0.956 20 5 BCBDMN CO[C@]1(C)CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839747834 585340342 /nfs/dbraw/zinc/34/03/42/585340342.db2.gz GAIRPXSXUAYENZ-FXPVBKGRSA-N 0 1 242.275 0.679 20 5 BCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000839753837 585340472 /nfs/dbraw/zinc/34/04/72/585340472.db2.gz IMWZGNTYKSNIJD-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN COC1(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839779156 585341434 /nfs/dbraw/zinc/34/14/34/585341434.db2.gz UAXKHBIMTBRGJO-RKDXNWHRSA-N 0 1 242.275 0.727 20 5 BCBDMN Cc1ccoc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777081 585341489 /nfs/dbraw/zinc/34/14/89/585341489.db2.gz QNQBOBNTIRAQSD-HTQZYQBOSA-N 0 1 224.216 0.869 20 5 BCBDMN CO[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839781961 585341645 /nfs/dbraw/zinc/34/16/45/585341645.db2.gz CFRNTBPNQSQKRI-FNCVBFRFSA-N 0 1 228.248 0.335 20 5 BCBDMN CO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839781864 585341740 /nfs/dbraw/zinc/34/17/40/585341740.db2.gz AVSMMIPEWZCXEI-KYXWUPHJSA-N 0 1 242.275 0.535 20 5 BCBDMN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000839797244 585464723 /nfs/dbraw/zinc/46/47/23/585464723.db2.gz MLVWIJUVQKGNRV-MQIGXGKASA-N 0 1 224.260 0.956 20 5 BCBDMN COCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839799809 585531472 /nfs/dbraw/zinc/53/14/72/585531472.db2.gz OVJLEMVOBIOTDL-HTQZYQBOSA-N 0 1 228.248 0.337 20 5 BCBDMN Nc1c(C(=O)Nc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000789927546 585953659 /nfs/dbraw/zinc/95/36/59/585953659.db2.gz SKFWRKTZPLXFKU-UHFFFAOYSA-N 0 1 248.202 0.547 20 5 BCBDMN NC(=O)CC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052958 585972695 /nfs/dbraw/zinc/97/26/95/585972695.db2.gz PZVBXYJYAFEROP-VIFPVBQESA-N 0 1 229.280 0.241 20 5 BCBDMN CC(=O)NC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052009 585972707 /nfs/dbraw/zinc/97/27/07/585972707.db2.gz JUYFHHWTNKJBLC-SNVBAGLBSA-N 0 1 229.280 0.111 20 5 BCBDMN O=[N+]([O-])CCN1CCC(C2OCCO2)CC1 ZINC000791051556 585972845 /nfs/dbraw/zinc/97/28/45/585972845.db2.gz DTHZOYDATYRVBF-UHFFFAOYSA-N 0 1 230.264 0.348 20 5 BCBDMN C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1 ZINC000839836022 586131351 /nfs/dbraw/zinc/13/13/51/586131351.db2.gz OLZGZKSQHNLCFV-RULNZFCNSA-N 0 1 230.289 0.662 20 5 BCBDMN C[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CS1 ZINC000839836021 586131381 /nfs/dbraw/zinc/13/13/81/586131381.db2.gz OLZGZKSQHNLCFV-LXGUWJNJSA-N 0 1 230.289 0.662 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](O)C(C)C ZINC000839862643 586151674 /nfs/dbraw/zinc/15/16/74/586151674.db2.gz DHZYEBGDVYRQQV-ZYUZMQFOSA-N 0 1 244.291 0.563 20 5 BCBDMN Nc1ccc([N+](=O)[O-])c(NCCc2nc[nH]n2)c1 ZINC000800860465 586234536 /nfs/dbraw/zinc/23/45/36/586234536.db2.gz PDJXVKLDERNFQN-UHFFFAOYSA-N 0 1 248.246 0.950 20 5 BCBDMN CC(C)[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])N(C)C ZINC000814037211 586612221 /nfs/dbraw/zinc/61/22/21/586612221.db2.gz UJUWXJUPBXUUEF-IUCAKERBSA-N 0 1 232.280 0.781 20 5 BCBDMN O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])cn1 ZINC000816319349 586717740 /nfs/dbraw/zinc/71/77/40/586717740.db2.gz TXWLOURIFWFDBO-UHFFFAOYSA-N 0 1 234.175 0.360 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2cccnc2C1 ZINC000819965911 587008221 /nfs/dbraw/zinc/00/82/21/587008221.db2.gz IFACEBZLEMNWTN-PSASIEDQSA-N 0 1 233.227 0.589 20 5 BCBDMN Cc1nc(C)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000820705918 587067498 /nfs/dbraw/zinc/06/74/98/587067498.db2.gz ROHRWUVVZYTFJD-HTQZYQBOSA-N 0 1 239.231 0.573 20 5 BCBDMN CC[C@]1(C)COCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840409925 587098078 /nfs/dbraw/zinc/09/80/78/587098078.db2.gz UOVRWFXJMYLQNO-FXPVBKGRSA-N 0 1 242.275 0.679 20 5 BCBDMN C[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCOC1 ZINC000840410216 587098248 /nfs/dbraw/zinc/09/82/48/587098248.db2.gz AVVIAVRBZGVQND-MRTMQBJTSA-N 0 1 228.248 0.337 20 5 BCBDMN C[C@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840412316 587099321 /nfs/dbraw/zinc/09/93/21/587099321.db2.gz STEYZASZWIOTOK-SGIHWFKDSA-N 0 1 242.275 0.414 20 5 BCBDMN COCCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000840440767 587103177 /nfs/dbraw/zinc/10/31/77/587103177.db2.gz HUMGGWMJLHXDLA-RKDXNWHRSA-N 0 1 242.275 0.727 20 5 BCBDMN O=C([O-])C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000821530217 587125968 /nfs/dbraw/zinc/12/59/68/587125968.db2.gz COXXLPWZLBGRLK-UHFFFAOYSA-N 0 1 237.215 0.433 20 5 BCBDMN O=C([O-])C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000821530217 587125969 /nfs/dbraw/zinc/12/59/69/587125969.db2.gz COXXLPWZLBGRLK-UHFFFAOYSA-N 0 1 237.215 0.433 20 5 BCBDMN C[C@@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1F ZINC000822150769 587156886 /nfs/dbraw/zinc/15/68/86/587156886.db2.gz PCZCJINWRICYRJ-PULFBKJNSA-N 0 1 217.196 0.943 20 5 BCBDMN CC1(C)C[C@@H](O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000827663425 587395178 /nfs/dbraw/zinc/39/51/78/587395178.db2.gz IXARESPQIQNSDI-IWSPIJDZSA-N 0 1 242.275 0.271 20 5 BCBDMN CC(=O)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000829279724 587491317 /nfs/dbraw/zinc/49/13/17/587491317.db2.gz XATRWKREFOXLFW-HLTSFMKQSA-N 0 1 229.232 0.808 20 5 BCBDMN O=C(OCc1cscn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672329 587915822 /nfs/dbraw/zinc/91/58/22/587915822.db2.gz IVOLXHBJGRBCCU-RNFRBKRXSA-N 0 1 228.229 0.852 20 5 BCBDMN 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O=C(N[C@]12C[C@H]1CCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000597888358 348833799 /nfs/dbraw/zinc/83/37/99/348833799.db2.gz JMCCVCFRQISGLJ-LHLIQPBNSA-N 0 1 236.231 0.990 20 5 BCBDMN C[C@H]1CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343952730 351004820 /nfs/dbraw/zinc/00/48/20/351004820.db2.gz JIGHAOOZMDUOEA-NTSWFWBYSA-N 0 1 224.220 0.846 20 5 BCBDMN O=C1CCN(Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000054257044 359736689 /nfs/dbraw/zinc/73/66/89/359736689.db2.gz KBPVEHDFSFOCJJ-UHFFFAOYSA-N 0 1 249.270 0.917 20 5 BCBDMN CC1(C)CN(C(=O)[C@H]2CC2[N+](=O)[O-])CCCO1 ZINC000377696817 370986975 /nfs/dbraw/zinc/98/69/75/370986975.db2.gz GPFFKNSMFFYJDK-IUCAKERBSA-N 0 1 242.275 0.679 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](C2CC2)C1 ZINC000372461453 182626719 /nfs/dbraw/zinc/62/67/19/182626719.db2.gz AEMLHBFPPRTDJJ-KXUCPTDWSA-N 0 1 240.259 0.289 20 5 BCBDMN C[C@@H]1OCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135226293 384188651 /nfs/dbraw/zinc/18/86/51/384188651.db2.gz YZKNXKBJONTOHV-NTSWFWBYSA-N 0 1 240.219 0.225 20 5 BCBDMN COC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000234870723 384681011 /nfs/dbraw/zinc/68/10/11/384681011.db2.gz FLJQDSJZTPXYLS-SNVBAGLBSA-N 0 1 240.259 0.692 20 5 BCBDMN Cc1[nH]nc(C(=O)N2CC(C)C2)c1[N+](=O)[O-] ZINC000407979642 385278235 /nfs/dbraw/zinc/27/82/35/385278235.db2.gz DHHAYJWKCYRICT-UHFFFAOYSA-N 0 1 224.220 0.718 20 5 BCBDMN C[C@H](CF)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000360595728 385292023 /nfs/dbraw/zinc/29/20/23/385292023.db2.gz KTIKYZVJKMYJHJ-SCSAIBSYSA-N 0 1 216.172 0.406 20 5 BCBDMN C[C@H](C[C@H](C)O)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000341920831 385841165 /nfs/dbraw/zinc/84/11/65/385841165.db2.gz FSXJDIUDCCZFNV-RITPCOANSA-N 0 1 242.235 0.207 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]2OCC[C@H]21 ZINC000366550385 386494815 /nfs/dbraw/zinc/49/48/15/386494815.db2.gz YGBUNRKYKMFJRP-DOLQZWNJSA-N 0 1 240.259 0.432 20 5 BCBDMN CN(Cc1nnc[nH]1)c1c([N+](=O)[O-])ncn1C ZINC000354102889 386613720 /nfs/dbraw/zinc/61/37/20/386613720.db2.gz NGXRVLDIBOCRLH-UHFFFAOYSA-N 0 1 237.223 0.083 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCOC2 ZINC000367945443 387622632 /nfs/dbraw/zinc/62/26/32/387622632.db2.gz QKYRSSWUMCVODV-IUCAKERBSA-N 0 1 240.259 0.291 20 5 BCBDMN COCC[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130273995 388020950 /nfs/dbraw/zinc/02/09/50/388020950.db2.gz DTNTWZZLCGJZEG-LURJTMIESA-N 0 1 242.235 0.473 20 5 BCBDMN O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@H]2OCC[C@H]2C1 ZINC000373297790 388238248 /nfs/dbraw/zinc/23/82/48/388238248.db2.gz BLIWDBOJUVKKFQ-AATLWQCWSA-N 0 1 240.259 0.289 20 5 BCBDMN CCNCc1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649300 388360523 /nfs/dbraw/zinc/36/05/23/388360523.db2.gz JYAUUEAUHLOFTO-UHFFFAOYSA-N 0 1 248.246 0.680 20 5 BCBDMN C[C@H](O)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272556754 388458633 /nfs/dbraw/zinc/45/86/33/388458633.db2.gz LIUTTWZADWMRAP-LURJTMIESA-N 0 1 240.215 0.411 20 5 BCBDMN CSCCONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000280105674 388780097 /nfs/dbraw/zinc/78/00/97/388780097.db2.gz UXBVKPWTNUCYON-UHFFFAOYSA-N 0 1 246.248 0.342 20 5 BCBDMN O=[N+]([O-])c1cnc(NCc2nnc[nH]2)s1 ZINC000226770247 134370677 /nfs/dbraw/zinc/37/06/77/134370677.db2.gz INIMSFFVCHIBBO-UHFFFAOYSA-N 0 1 226.221 0.782 20 5 BCBDMN C[C@H](C(=O)[O-])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000262687529 135314114 /nfs/dbraw/zinc/31/41/14/135314114.db2.gz YHSIARZVWAVXCE-SSDOTTSWSA-N 0 1 242.235 0.196 20 5 BCBDMN O=C1CC[C@@H](NCc2ccccc2[N+](=O)[O-])CN1 ZINC000110911236 397904615 /nfs/dbraw/zinc/90/46/15/397904615.db2.gz CTUAPMYQNVYYMG-SNVBAGLBSA-N 0 1 249.270 0.963 20 5 BCBDMN CNC(=O)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000042341953 322908524 /nfs/dbraw/zinc/90/85/24/322908524.db2.gz YPJPJJWSCJMQPT-QMMMGPOBSA-N 0 1 237.259 0.819 20 5 BCBDMN COCC(C)(C)NCc1c([N+](=O)[O-])ncn1C ZINC000355932586 174082374 /nfs/dbraw/zinc/08/23/74/174082374.db2.gz MDFHSUOEGCUYPS-UHFFFAOYSA-N 0 1 242.279 0.843 20 5 BCBDMN COCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159000431 174245794 /nfs/dbraw/zinc/24/57/94/174245794.db2.gz YMOZNCPWTGAHDB-UHFFFAOYSA-N 0 1 228.208 0.084 20 5 BCBDMN COCCCONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287759156 174255771 /nfs/dbraw/zinc/25/57/71/174255771.db2.gz JBQNQNACEUARMT-UHFFFAOYSA-N 0 1 244.207 0.016 20 5 BCBDMN COCC[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130274218 174381948 /nfs/dbraw/zinc/38/19/48/174381948.db2.gz DTNTWZZLCGJZEG-ZCFIWIBFSA-N 0 1 242.235 0.473 20 5 BCBDMN C[C@H]1C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132231897 177385806 /nfs/dbraw/zinc/38/58/06/177385806.db2.gz CEIRVQGCSSJXMR-CRCLSJGQSA-N 0 1 210.193 0.456 20 5 BCBDMN Cc1nc(Cn2ccc(C)c([N+](=O)[O-])c2=O)n[nH]1 ZINC000488262055 225359516 /nfs/dbraw/zinc/35/95/16/225359516.db2.gz JJPMYKUQTWCZJE-UHFFFAOYSA-N 0 1 249.230 0.540 20 5 BCBDMN O=C(NCCOC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839734956 585337567 /nfs/dbraw/zinc/33/75/67/585337567.db2.gz RRUHPHKTXCTBEG-RFZPGFLSSA-N 0 1 242.153 0.304 20 5 BCBDMN O=C(NC1(CF)CCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000569851563 323042735 /nfs/dbraw/zinc/04/27/35/323042735.db2.gz PSGZMOVGTDGMDS-UHFFFAOYSA-N 0 1 242.210 0.940 20 5 BCBDMN C[C@H]1C[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])CO1 ZINC000572486159 324127803 /nfs/dbraw/zinc/12/78/03/324127803.db2.gz OFANFOGZUIDSDD-WDSKDSINSA-N 0 1 240.219 0.225 20 5 BCBDMN O=c1c([N+](=O)[O-])cccn1CCc1c[nH]nn1 ZINC000564280067 325156749 /nfs/dbraw/zinc/15/67/49/325156749.db2.gz CRFVOUVPKRAHCD-UHFFFAOYSA-N 0 1 235.203 0.117 20 5 BCBDMN O=c1c([N+](=O)[O-])cccn1CCc1cnn[nH]1 ZINC000564280067 325156752 /nfs/dbraw/zinc/15/67/52/325156752.db2.gz CRFVOUVPKRAHCD-UHFFFAOYSA-N 0 1 235.203 0.117 20 5 BCBDMN NCc1nnnn1Cc1csc([N+](=O)[O-])c1 ZINC000564926721 325827389 /nfs/dbraw/zinc/82/73/89/325827389.db2.gz MGGFGWGQXGOOCY-UHFFFAOYSA-N 0 1 240.248 0.150 20 5 BCBDMN Cc1nn(CCc2c[nH]nn2)c(C)c1[N+](=O)[O-] ZINC000568831855 326378683 /nfs/dbraw/zinc/37/86/83/326378683.db2.gz AKKHOTYWIJLDGO-UHFFFAOYSA-N 0 1 236.235 0.769 20 5 BCBDMN C[C@@H]1COC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000853198845 588724903 /nfs/dbraw/zinc/72/49/03/588724903.db2.gz GSTFZBMWCOTPCI-WCTZXXKLSA-N 0 1 215.205 0.230 20 5 BCBDMN Cc1ccncc1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855393646 588831205 /nfs/dbraw/zinc/83/12/05/588831205.db2.gz WMUGIEHRECCKSZ-GHMZBOCLSA-N 0 1 249.270 0.714 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)C1O ZINC000855692814 588845305 /nfs/dbraw/zinc/84/53/05/588845305.db2.gz RHEDTGWKBVCVSQ-RBXMUDONSA-N 0 1 242.275 0.127 20 5 BCBDMN O=C(NCCCc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000856228287 588865093 /nfs/dbraw/zinc/86/50/93/588865093.db2.gz XARWWCSCOYATTE-NXEZZACHSA-N 0 1 238.243 0.994 20 5 BCBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1nccn1C ZINC000856280364 588866959 /nfs/dbraw/zinc/86/69/59/588866959.db2.gz OXMHRHUUVCWVMG-BWZBUEFSSA-N 0 1 238.247 0.263 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2COC[C@H]2C1 ZINC000856151225 583116193 /nfs/dbraw/zinc/11/61/93/583116193.db2.gz OWHQKXFOIURYAA-SGIHWFKDSA-N 0 1 240.259 0.147 20 5 BCBDMN O=C(OC[C@@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673648 583425027 /nfs/dbraw/zinc/42/50/27/583425027.db2.gz WZEVVLOIAAWSGO-IWSPIJDZSA-N 0 1 229.232 0.621 20 5 BCBDMN O=[N+]([O-])c1cnn(CCN2CC=C[C@@H]2CO)c1 ZINC000880486107 583544316 /nfs/dbraw/zinc/54/43/16/583544316.db2.gz LGLRFWWLUGDLDG-SECBINFHSA-N 0 1 238.247 0.024 20 5 BCBDMN O=C(NCC[C@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000869594956 583882881 /nfs/dbraw/zinc/88/28/81/583882881.db2.gz PUYOLCCRAHATCW-DJLDLDEBSA-N 0 1 244.316 0.911 20 5 BCBDMN O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000889609277 583923289 /nfs/dbraw/zinc/92/32/89/583923289.db2.gz BMHUAQNGVXGUEO-JDDHQFAOSA-N 0 1 224.260 0.956 20 5 BCBDMN CN(C)[C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000899859675 584242848 /nfs/dbraw/zinc/24/28/48/584242848.db2.gz MDBXMOBUAXZWSQ-VIFPVBQESA-N 0 1 227.264 0.749 20 5 BCBDMN O=[N+]([O-])CCNCCOCC(F)(F)F ZINC000899866624 584243592 /nfs/dbraw/zinc/24/35/92/584243592.db2.gz PPBKKHWWFBHXOT-UHFFFAOYSA-N 0 1 216.159 0.432 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccc(F)cc1 ZINC000899869364 584243769 /nfs/dbraw/zinc/24/37/69/584243769.db2.gz DIIFOGIGVHJBIQ-SNVBAGLBSA-N 0 1 228.223 0.725 20 5 BCBDMN O=[N+]([O-])CCNC[C@H](O)c1ccc(F)cc1 ZINC000899869363 584243908 /nfs/dbraw/zinc/24/39/08/584243908.db2.gz DIIFOGIGVHJBIQ-JTQLQIEISA-N 0 1 228.223 0.725 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CO1 ZINC000839512260 585106080 /nfs/dbraw/zinc/10/60/80/585106080.db2.gz HUIQFIIIJUIKFF-RBXMUDONSA-N 0 1 228.248 0.287 20 5 BCBDMN COC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000755947025 585311187 /nfs/dbraw/zinc/31/11/87/585311187.db2.gz BXVWNZXDOYWRQK-RXMQYKEDSA-N 0 1 242.187 0.641 20 5 BCBDMN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839658018 585333799 /nfs/dbraw/zinc/33/37/99/585333799.db2.gz KABUVGQLVJCEKZ-FNCVBFRFSA-N 0 1 212.249 0.956 20 5 BCBDMN CC(C)OCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690561 585335281 /nfs/dbraw/zinc/33/52/81/585335281.db2.gz DAKYFWTTXPFOEW-NXEZZACHSA-N 0 1 244.291 0.925 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1C ZINC000839699353 585335467 /nfs/dbraw/zinc/33/54/67/585335467.db2.gz WLDYXVDQWZKIFA-FNCVBFRFSA-N 0 1 212.249 0.909 20 5 BCBDMN CC[C@@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698860 585335591 /nfs/dbraw/zinc/33/55/91/585335591.db2.gz BDAXNIISLMCNPX-BWZBUEFSSA-N 0 1 200.238 0.909 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839697154 585335733 /nfs/dbraw/zinc/33/57/33/585335733.db2.gz RRPOSLDRILYPQR-BZNPZCIMSA-N 0 1 212.249 0.766 20 5 BCBDMN C[C@H]1C[C@H](C)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839694890 585335768 /nfs/dbraw/zinc/33/57/68/585335768.db2.gz XVQZSZHTONNUEI-RBXMUDONSA-N 0 1 212.249 0.909 20 5 BCBDMN COC[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839680814 585337055 /nfs/dbraw/zinc/33/70/55/585337055.db2.gz KURXRRUZTPGLLW-OPRDCNLKSA-N 0 1 242.275 0.537 20 5 BCBDMN CC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)O1 ZINC000839680855 585337128 /nfs/dbraw/zinc/33/71/28/585337128.db2.gz OPIVDCDRDOFHLH-AXTSPUMRSA-N 0 1 242.275 0.678 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000839734279 585337482 /nfs/dbraw/zinc/33/74/82/585337482.db2.gz RADIYLMJJBJVNJ-HOTMZDKISA-N 0 1 242.275 0.676 20 5 BCBDMN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703881 585337498 /nfs/dbraw/zinc/33/74/98/585337498.db2.gz PQYIZTFWMIIMGE-UTINFBMNSA-N 0 1 242.275 0.583 20 5 BCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCCO1 ZINC000839734876 585337552 /nfs/dbraw/zinc/33/75/52/585337552.db2.gz ZKNOHJGHOHQCPE-HTQZYQBOSA-N 0 1 214.221 0.596 20 5 BCBDMN CCOC(=O)CN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707554 585337687 /nfs/dbraw/zinc/33/76/87/585337687.db2.gz BCJLXOIWFCMYNF-HTQZYQBOSA-N 0 1 244.247 0.063 20 5 BCBDMN CC(C)C[C@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710213 585337823 /nfs/dbraw/zinc/33/78/23/585337823.db2.gz WRLKOEQOWHBPIC-DJLDLDEBSA-N 0 1 230.264 0.175 20 5 BCBDMN CC(C)C[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839710215 585337859 /nfs/dbraw/zinc/33/78/59/585337859.db2.gz WRLKOEQOWHBPIC-IWSPIJDZSA-N 0 1 230.264 0.175 20 5 BCBDMN CCC[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839713801 585337923 /nfs/dbraw/zinc/33/79/23/585337923.db2.gz GDMQSBFSFYCCGB-IVZWLZJFSA-N 0 1 242.275 0.679 20 5 BCBDMN C[C@@H](O)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839711900 585337986 /nfs/dbraw/zinc/33/79/86/585337986.db2.gz BATOXHDANAPCTJ-UTINFBMNSA-N 0 1 242.275 0.414 20 5 BCBDMN CN(C[C@H]1CCC[C@H]1O)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839712508 585337990 /nfs/dbraw/zinc/33/79/90/585337990.db2.gz IXRJEIUZDDQKES-ZYUZMQFOSA-N 0 1 242.275 0.271 20 5 BCBDMN CC[C@H](C[C@@H](C)CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715116 585338055 /nfs/dbraw/zinc/33/80/55/585338055.db2.gz SGYKWQKEZNZQSB-ZYUZMQFOSA-N 0 1 244.291 0.565 20 5 BCBDMN C[C@@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839719535 585338225 /nfs/dbraw/zinc/33/82/25/585338225.db2.gz ZXMWJWXSSKHMRU-ZYUZMQFOSA-N 0 1 242.275 0.583 20 5 BCBDMN CC(C)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839726863 585338549 /nfs/dbraw/zinc/33/85/49/585338549.db2.gz ZRKBNMKELKYYSF-OPRDCNLKSA-N 0 1 242.275 0.535 20 5 BCBDMN O=C(NCCC1(O)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839761636 585339023 /nfs/dbraw/zinc/33/90/23/585339023.db2.gz OXGAZHKPRCTEGN-HTQZYQBOSA-N 0 1 228.248 0.073 20 5 BCBDMN O=C(N[C@H](CO)CC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747761 585340193 /nfs/dbraw/zinc/34/01/93/585340193.db2.gz KPBPNFHELDFIBH-IVZWLZJFSA-N 0 1 242.275 0.319 20 5 BCBDMN CN(CCCCCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839747702 585340202 /nfs/dbraw/zinc/34/02/02/585340202.db2.gz SOIBYGKCCPOVDK-RKDXNWHRSA-N 0 1 230.264 0.273 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(F)(F)CC1 ZINC000839748701 585340445 /nfs/dbraw/zinc/34/04/45/585340445.db2.gz WBDPHWFBLQZTES-RNFRBKRXSA-N 0 1 234.202 0.909 20 5 BCBDMN C[C@H]1CCC[C@@]1(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777852 585341295 /nfs/dbraw/zinc/34/12/95/585341295.db2.gz FIAKSSSVKAUAAW-YSSBGUOXSA-N 0 1 242.275 0.319 20 5 BCBDMN CO[C@@H](C)[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839776919 585341466 /nfs/dbraw/zinc/34/14/66/585341466.db2.gz OLFWFSONQNKUNP-ULAWRXDQSA-N 0 1 216.237 0.191 20 5 BCBDMN CCC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839780873 585341594 /nfs/dbraw/zinc/34/15/94/585341594.db2.gz GDOOFYLULRGUSS-DJLDLDEBSA-N 0 1 230.264 0.583 20 5 BCBDMN CCC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839780875 585341757 /nfs/dbraw/zinc/34/17/57/585341757.db2.gz GDOOFYLULRGUSS-IWSPIJDZSA-N 0 1 230.264 0.583 20 5 BCBDMN CC[C@H](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])OC ZINC000839781420 585341786 /nfs/dbraw/zinc/34/17/86/585341786.db2.gz OYAONVWMTPEZTO-SGIHWFKDSA-N 0 1 244.291 0.829 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000839784750 585341842 /nfs/dbraw/zinc/34/18/42/585341842.db2.gz ZUWDYAJJZOYWSE-IWSPIJDZSA-N 0 1 210.233 0.663 20 5 BCBDMN CS[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839784282 585341951 /nfs/dbraw/zinc/34/19/51/585341951.db2.gz UPBGRMLGBMQXHO-BWZBUEFSSA-N 0 1 230.289 0.616 20 5 BCBDMN CC1(C)OCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783672 585342114 /nfs/dbraw/zinc/34/21/14/585342114.db2.gz JZPRULUKUIJGEF-PRJMDXOYSA-N 0 1 228.248 0.335 20 5 BCBDMN Cc1cc(C)c(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839790600 585342983 /nfs/dbraw/zinc/34/29/83/585342983.db2.gz SPJDBHZHAXNISX-GHMZBOCLSA-N 0 1 249.270 0.980 20 5 BCBDMN COC[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839793404 585419113 /nfs/dbraw/zinc/41/91/13/585419113.db2.gz RMKYSDGZHYSDRL-OPRDCNLKSA-N 0 1 242.275 0.679 20 5 BCBDMN O=C(Nc1ccc2ncnn2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839798497 585492439 /nfs/dbraw/zinc/49/24/39/585492439.db2.gz GBBMOFSNWARNKE-HTQZYQBOSA-N 0 1 247.214 0.333 20 5 BCBDMN CC[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839799006 585497564 /nfs/dbraw/zinc/49/75/64/585497564.db2.gz SFIMQNCLDFLJEY-BGZDPUMWSA-N 0 1 228.248 0.335 20 5 BCBDMN O=[N+]([O-])CCN1CCC(Cn2ccnn2)CC1 ZINC000791054698 585973296 /nfs/dbraw/zinc/97/32/96/585973296.db2.gz PIPSXUCPOBDAKW-UHFFFAOYSA-N 0 1 239.279 0.267 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000839862637 586151666 /nfs/dbraw/zinc/15/16/66/586151666.db2.gz DHZYEBGDVYRQQV-KYXWUPHJSA-N 0 1 244.291 0.563 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccoc1 ZINC000859720285 589056787 /nfs/dbraw/zinc/05/67/87/589056787.db2.gz KEOBIUUUGWCURV-HTQZYQBOSA-N 0 1 239.183 0.671 20 5 BCBDMN O=C(NOC/C=C/Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000812403520 586576054 /nfs/dbraw/zinc/57/60/54/586576054.db2.gz OIAABPBJLYGRST-OWOJBTEDSA-N 0 1 246.610 0.732 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000819730873 586989716 /nfs/dbraw/zinc/98/97/16/586989716.db2.gz KVBIMNAUZGNOCI-RNFRBKRXSA-N 0 1 234.202 0.765 20 5 BCBDMN C[C@]1(CO)CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840417000 587100468 /nfs/dbraw/zinc/10/04/68/587100468.db2.gz FFGLMMPXYFUHIF-NQMVMOMDSA-N 0 1 228.248 0.025 20 5 BCBDMN CCC[C@]1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000840456656 587105008 /nfs/dbraw/zinc/10/50/08/587105008.db2.gz LTRDPFZUZCFLFG-KKZNHRDASA-N 0 1 242.275 0.727 20 5 BCBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCOC1 ZINC000840464751 587116260 /nfs/dbraw/zinc/11/62/60/587116260.db2.gz XIINDSCOHXOMQK-IVZWLZJFSA-N 0 1 242.275 0.678 20 5 BCBDMN CC(C)OC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000825310442 587313965 /nfs/dbraw/zinc/31/39/65/587313965.db2.gz KLUBYFRVXIYQIU-RKDXNWHRSA-N 0 1 228.248 0.287 20 5 BCBDMN COCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837343258 587868040 /nfs/dbraw/zinc/86/80/40/587868040.db2.gz HKQZLPTXTRETOK-UHFFFAOYSA-N 0 1 241.199 0.990 20 5 BCBDMN O=C(OCCCCCCO)[C@@H]1CC1[N+](=O)[O-] ZINC000840670911 587915515 /nfs/dbraw/zinc/91/55/15/587915515.db2.gz YDUAUAZSYFWJRW-RKDXNWHRSA-N 0 1 231.248 0.748 20 5 BCBDMN O=C(O[C@H]1CCCCC1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672494 587915607 /nfs/dbraw/zinc/91/56/07/587915607.db2.gz RRWHZIPOFGDWSW-BHNWBGBOSA-N 0 1 227.216 0.707 20 5 BCBDMN CCCOC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671227 587915771 /nfs/dbraw/zinc/91/57/71/587915771.db2.gz QSTVHCFCVSJFPE-BWZBUEFSSA-N 0 1 245.231 0.537 20 5 BCBDMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc[nH]1 ZINC000840672027 587915898 /nfs/dbraw/zinc/91/58/98/587915898.db2.gz IJMAANKACZYILN-HTRCEHHLSA-N 0 1 238.199 0.406 20 5 BCBDMN C[C@@H](Cn1cccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842320358 588017269 /nfs/dbraw/zinc/01/72/69/588017269.db2.gz SBRBNJCIVIJKFB-DJLDLDEBSA-N 0 1 239.231 0.480 20 5 BCBDMN COCCCOCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842342933 588019817 /nfs/dbraw/zinc/01/98/17/588019817.db2.gz QYTDQLOBVUFFTN-RKDXNWHRSA-N 0 1 247.247 0.248 20 5 BCBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)F ZINC000842343207 588020056 /nfs/dbraw/zinc/02/00/56/588020056.db2.gz LIHLPOYMSHCJSQ-VPENINKCSA-N 0 1 209.148 0.848 20 5 BCBDMN O=C(OCCCc1cnoc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842373838 588022676 /nfs/dbraw/zinc/02/26/76/588022676.db2.gz GJJVPCKAQVXHDU-RKDXNWHRSA-N 0 1 240.215 0.816 20 5 BCBDMN CCCC[C@](C)(CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844015810 588156155 /nfs/dbraw/zinc/15/61/55/588156155.db2.gz APUOROXHQIQAJL-FXPVBKGRSA-N 0 1 244.291 0.709 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844980839 588220113 /nfs/dbraw/zinc/22/01/13/588220113.db2.gz YGRSIRWAXPOFLM-MVIOUDGNSA-N 0 1 232.186 0.375 20 5 BCBDMN CO[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000845794063 588245473 /nfs/dbraw/zinc/24/54/73/588245473.db2.gz XKLXQHGVRWITBL-NQMVMOMDSA-N 0 1 245.231 0.000 20 5 BCBDMN O=C(OCc1ccns1)[C@@H]1CC1[N+](=O)[O-] ZINC000847834066 588336176 /nfs/dbraw/zinc/33/61/76/588336176.db2.gz JBDIXDKYVYECCH-RNFRBKRXSA-N 0 1 228.229 0.852 20 5 BCBDMN Cc1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cnn1C ZINC000848372204 588374219 /nfs/dbraw/zinc/37/42/19/588374219.db2.gz KPOQCKBWAMLYIS-HTRCEHHLSA-N 0 1 224.220 0.332 20 5 BCBDMN O=C(NCc1ccc[nH]c1=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863492773 589294163 /nfs/dbraw/zinc/29/41/63/589294163.db2.gz IXVDXMOGGSDSIR-HTQZYQBOSA-N 0 1 237.215 0.069 20 5 BCBDMN C[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H](C)O1 ZINC000870477297 589667713 /nfs/dbraw/zinc/66/77/13/589667713.db2.gz XYMHZHRBWBJKSH-QKCLAQEOSA-N 0 1 228.248 0.334 20 5 BCBDMN CC[N@H+](CCC(=O)[O-])Cn1cc([N+](=O)[O-])cn1 ZINC000737097408 600425515 /nfs/dbraw/zinc/42/55/15/600425515.db2.gz ZMMLMBFWSPXCEF-UHFFFAOYSA-N 0 1 242.235 0.545 20 5 BCBDMN CC[N@@H+](CCC(=O)[O-])Cn1cc([N+](=O)[O-])cn1 ZINC000737097408 600425516 /nfs/dbraw/zinc/42/55/16/600425516.db2.gz ZMMLMBFWSPXCEF-UHFFFAOYSA-N 0 1 242.235 0.545 20 5 BCBDMN O=[N+]([O-])CCNCCOC[C@H]1CCCO1 ZINC000905120903 637627776 /nfs/dbraw/zinc/62/77/76/637627776.db2.gz IESLVZFCMNVCQR-SECBINFHSA-N 0 1 218.253 0.048 20 5 BCBDMN C[S@](=O)c1ccc(CNCC[N+](=O)[O-])cc1 ZINC000905153741 637636293 /nfs/dbraw/zinc/63/62/93/637636293.db2.gz LHWGUEHPTRKBCQ-INIZCTEOSA-N 0 1 242.300 0.790 20 5 BCBDMN C[C@H](CNCC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905242392 637726489 /nfs/dbraw/zinc/72/64/89/637726489.db2.gz JDNWEMJBUBUXHJ-MRVPVSSYSA-N 0 1 247.295 0.766 20 5 BCBDMN Cc1nccnc1CCNCC[N+](=O)[O-] ZINC000905273134 637732036 /nfs/dbraw/zinc/73/20/36/637732036.db2.gz KBJAYGHCSYCNQO-UHFFFAOYSA-N 0 1 210.237 0.194 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)Cc1ccccc1 ZINC000905348265 637769213 /nfs/dbraw/zinc/76/92/13/637769213.db2.gz FDGPMMWNPHEDPS-NSHDSACASA-N 0 1 224.260 0.456 20 5 BCBDMN O=[N+]([O-])CCNC[C@H](O)Cc1ccccc1 ZINC000905348264 637770031 /nfs/dbraw/zinc/77/00/31/637770031.db2.gz FDGPMMWNPHEDPS-LLVKDONJSA-N 0 1 224.260 0.456 20 5 BCBDMN O=[N+]([O-])CCNC[C@H](O)c1ccsc1 ZINC000905351692 637771672 /nfs/dbraw/zinc/77/16/72/637771672.db2.gz AZSLDBUSYCSOBC-QMMMGPOBSA-N 0 1 216.262 0.648 20 5 BCBDMN Cc1cccc([C@@H](O)CNCC[N+](=O)[O-])c1 ZINC000905361496 637778593 /nfs/dbraw/zinc/77/85/93/637778593.db2.gz PLRQUZRECNGVOX-NSHDSACASA-N 0 1 224.260 0.895 20 5 BCBDMN CC[C@@H](NCC[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000905365159 637788369 /nfs/dbraw/zinc/78/83/69/637788369.db2.gz ANKLLZLHSVXRPK-PHDIDXHHSA-N 0 1 230.186 0.555 20 5 BCBDMN Cc1cccc(NCCNCC[N+](=O)[O-])n1 ZINC000905611285 637867067 /nfs/dbraw/zinc/86/70/67/637867067.db2.gz XPQVDJNERYVMDK-UHFFFAOYSA-N 0 1 224.264 0.668 20 5 BCBDMN C[C@@H]1CCC[C@@H](C)N1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000907988272 638538480 /nfs/dbraw/zinc/53/84/80/638538480.db2.gz XQBJXDAZZXLMQB-ZYUZMQFOSA-N 0 1 241.291 0.946 20 5 BCBDMN CO[C@]1(C)CCCN(CC[N+](=O)[O-])C1 ZINC000930269840 639673287 /nfs/dbraw/zinc/67/32/87/639673287.db2.gz KOTAZBHVSMHPNT-SECBINFHSA-N 0 1 202.254 0.764 20 5 BCBDMN CN(C[Si](C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000911730088 639750351 /nfs/dbraw/zinc/75/03/51/639750351.db2.gz FWNFZBQPDFCVMX-HTQZYQBOSA-N 0 1 230.340 0.987 20 5 BCBDMN CC(C)[C@@]1(CO)CCCN(CC[N+](=O)[O-])C1 ZINC000930584802 639814227 /nfs/dbraw/zinc/81/42/27/639814227.db2.gz PJMGBZSPZYGSMT-NSHDSACASA-N 0 1 230.308 0.994 20 5 BCBDMN CO[C@H]1CCN(CC[N+](=O)[O-])C[C@H]1C ZINC000930634847 639834151 /nfs/dbraw/zinc/83/41/51/639834151.db2.gz OQEDJDAOWZKAMT-BDAKNGLRSA-N 0 1 202.254 0.620 20 5 BCBDMN CC(C)N(CC[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000930736556 639882513 /nfs/dbraw/zinc/88/25/13/639882513.db2.gz APLHDACHPIAUQL-VIFPVBQESA-N 0 1 229.280 0.252 20 5 BCBDMN O=[N+]([O-])CCN1CC[C@H](O)CC12CCC2 ZINC000930753724 639896969 /nfs/dbraw/zinc/89/69/69/639896969.db2.gz GGLSJYPHXOOREB-VIFPVBQESA-N 0 1 214.265 0.643 20 5 BCBDMN C[C@H](CO)C1CCN(CC[N+](=O)[O-])CC1 ZINC000930855758 639950673 /nfs/dbraw/zinc/95/06/73/639950673.db2.gz HJSGQRMLIYDVGO-SECBINFHSA-N 0 1 216.281 0.604 20 5 BCBDMN CC1(C)CC[C@H](CO)N(CC[N+](=O)[O-])C1 ZINC000931102459 640063236 /nfs/dbraw/zinc/06/32/36/640063236.db2.gz GOHXZBPOARTRLB-SECBINFHSA-N 0 1 216.281 0.746 20 5 BCBDMN O=[N+]([O-])CCN1CCN(CCCF)CC1 ZINC000931292890 640137593 /nfs/dbraw/zinc/13/75/93/640137593.db2.gz HWCNNCJKULQKRD-UHFFFAOYSA-N 0 1 219.260 0.240 20 5 BCBDMN CCC(O)(CC)CN(C)CC[N+](=O)[O-] ZINC000931332125 640160146 /nfs/dbraw/zinc/16/01/46/640160146.db2.gz KVZUIYMSTFUABW-UHFFFAOYSA-N 0 1 204.270 0.746 20 5 BCBDMN C[C@H]1CN(CC[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931464637 640224138 /nfs/dbraw/zinc/22/41/38/640224138.db2.gz BIDIDZGQSXNCTK-ZETCQYMHSA-N 0 1 210.237 0.606 20 5 BCBDMN CC(C)(O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000931552647 640270430 /nfs/dbraw/zinc/27/04/30/640270430.db2.gz NRRBNFDZMGFDHV-UHFFFAOYSA-N 0 1 216.281 0.746 20 5 BCBDMN CC(C)C[C@@H]1C[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000933256135 642423425 /nfs/dbraw/zinc/42/34/25/642423425.db2.gz JXDJWLXNCNLILJ-LLVKDONJSA-N 0 1 229.324 0.925 20 5 BCBDMN C[C@@H]1CC[C@H](CO)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000922013753 643845481 /nfs/dbraw/zinc/84/54/81/643845481.db2.gz BMCCNYXZFRWELS-FNCVBFRFSA-N 0 1 228.248 0.023 20 5 BCBDMN Cn1nccc1[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929293366 646069430 /nfs/dbraw/zinc/06/94/30/646069430.db2.gz FUNFKVBRRQCZCJ-JTQLQIEISA-N 0 1 238.291 0.876 20 5 BCBDMN 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Cn1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000130506385 325058756 /nfs/dbraw/zinc/05/87/56/325058756.db2.gz RUIMXDIBROIMNM-UHFFFAOYSA-N 0 1 249.230 0.586 20 5 BCBDMN COCC1CC(OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000893644838 583185022 /nfs/dbraw/zinc/18/50/22/583185022.db2.gz ZCJDNMBWEJUQSD-GEPGNKONSA-N 0 1 229.232 0.620 20 5 BCBDMN CC1(C)COCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854325441 588783724 /nfs/dbraw/zinc/78/37/24/588783724.db2.gz FIQREAGBQQODEU-RNFRBKRXSA-N 0 1 214.221 0.247 20 5 BCBDMN CC(C)[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])N(C)C ZINC000813102236 582580124 /nfs/dbraw/zinc/58/01/24/582580124.db2.gz CGFNAUUPVMHAHT-RKDXNWHRSA-N 0 1 232.280 0.781 20 5 BCBDMN O=C(N[C@H]1COC[C@H]1C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000891035319 582598603 /nfs/dbraw/zinc/59/86/03/582598603.db2.gz ASEJLCIEOQTGTO-XFWSIPNHSA-N 0 1 240.259 0.193 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000855855605 588851266 /nfs/dbraw/zinc/85/12/66/588851266.db2.gz AMQBDUFBYKMONW-IWSPIJDZSA-N 0 1 212.249 0.956 20 5 BCBDMN CCCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671895 583407413 /nfs/dbraw/zinc/40/74/13/583407413.db2.gz DYENMFQVYUJJGU-BWZBUEFSSA-N 0 1 244.247 0.110 20 5 BCBDMN CC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])COC1 ZINC000840671578 583407656 /nfs/dbraw/zinc/40/76/56/583407656.db2.gz XPSLEXWCIRHPAO-RNFRBKRXSA-N 0 1 215.205 0.231 20 5 BCBDMN CC(=O)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840672341 583411252 /nfs/dbraw/zinc/41/12/52/583411252.db2.gz OWKMZZAQMXENHR-HTQZYQBOSA-N 0 1 215.205 0.564 20 5 BCBDMN C[C@H]1CC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000840673350 583422604 /nfs/dbraw/zinc/42/26/04/583422604.db2.gz LMIANLGRLLDRNX-RBXMUDONSA-N 0 1 229.232 0.762 20 5 BCBDMN O=C(OCCc1cscn1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674053 583427249 /nfs/dbraw/zinc/42/72/49/583427249.db2.gz FKTSGTHOFVYYDV-HTQZYQBOSA-N 0 1 242.256 0.894 20 5 BCBDMN CO[C@H]1C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000861307916 583956096 /nfs/dbraw/zinc/95/60/96/583956096.db2.gz XFRCQDKGAODOHQ-WCTZXXKLSA-N 0 1 215.205 0.372 20 5 BCBDMN O=C(O[C@@H]1CCN(CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000842347602 584892545 /nfs/dbraw/zinc/89/25/45/584892545.db2.gz QQJWNFZSSUCJEG-IWSPIJDZSA-N 0 1 246.238 0.239 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)CO1 ZINC000839512257 585106169 /nfs/dbraw/zinc/10/61/69/585106169.db2.gz HUIQFIIIJUIKFF-JQCXWYLXSA-N 0 1 228.248 0.287 20 5 BCBDMN CN(CC(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839529630 585161984 /nfs/dbraw/zinc/16/19/84/585161984.db2.gz UPWQIEIWKCHRCN-RFZPGFLSSA-N 0 1 226.154 0.672 20 5 BCBDMN Cc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839530131 585174763 /nfs/dbraw/zinc/17/47/63/585174763.db2.gz MNCQEKBJJQTKKN-NXEZZACHSA-N 0 1 238.243 0.912 20 5 BCBDMN CC(C)CCOCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839596269 585331667 /nfs/dbraw/zinc/33/16/67/585331667.db2.gz USTOULNJOWABQR-NXEZZACHSA-N 0 1 244.291 0.831 20 5 BCBDMN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839658022 585333600 /nfs/dbraw/zinc/33/36/00/585333600.db2.gz KABUVGQLVJCEKZ-LURQLKTLSA-N 0 1 212.249 0.956 20 5 BCBDMN CC[C@H](COC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687294 585335370 /nfs/dbraw/zinc/33/53/70/585335370.db2.gz ARHMVQYQZZSWCS-BWZBUEFSSA-N 0 1 216.237 0.193 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(C(F)(F)F)C1 ZINC000839698211 585335692 /nfs/dbraw/zinc/33/56/92/585335692.db2.gz ZFTIDNBLBSQTOX-PHDIDXHHSA-N 0 1 238.165 0.672 20 5 BCBDMN COC(C)(C)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839693355 585335718 /nfs/dbraw/zinc/33/57/18/585335718.db2.gz OETFRWIGXPBNSX-DJLDLDEBSA-N 0 1 244.291 0.971 20 5 BCBDMN CO[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1(C)C ZINC000839701979 585336006 /nfs/dbraw/zinc/33/60/06/585336006.db2.gz XHECMSNMOQYJCD-LURQLKTLSA-N 0 1 242.275 0.581 20 5 BCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCO1 ZINC000839733098 585337015 /nfs/dbraw/zinc/33/70/15/585337015.db2.gz HCPQVVRIJSHPSK-RNFRBKRXSA-N 0 1 200.194 0.206 20 5 BCBDMN CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000839732582 585337022 /nfs/dbraw/zinc/33/70/22/585337022.db2.gz YLNYCWSOPISBFR-DJLDLDEBSA-N 0 1 242.275 0.725 20 5 BCBDMN CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H](C)O1 ZINC000839680862 585337030 /nfs/dbraw/zinc/33/70/30/585337030.db2.gz OPIVDCDRDOFHLH-ZYUZMQFOSA-N 0 1 242.275 0.678 20 5 BCBDMN CCC(O)(CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734343 585337339 /nfs/dbraw/zinc/33/73/39/585337339.db2.gz SZVGDONCWUFDMX-RKDXNWHRSA-N 0 1 244.291 0.709 20 5 BCBDMN CO[C@@H](C)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734087 585337502 /nfs/dbraw/zinc/33/75/02/585337502.db2.gz OLFWFSONQNKUNP-RULNZFCNSA-N 0 1 216.237 0.191 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CC(F)F)C1CC1 ZINC000839709725 585337651 /nfs/dbraw/zinc/33/76/51/585337651.db2.gz TVLJMIHFDYTUMB-RNFRBKRXSA-N 0 1 234.202 0.908 20 5 BCBDMN CC(C)[C@H](CCO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839705699 585337838 /nfs/dbraw/zinc/33/78/38/585337838.db2.gz IMHLTLDFTHGCOG-HRDYMLBCSA-N 0 1 230.264 0.175 20 5 BCBDMN C[C@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1(C)C ZINC000839706202 585337854 /nfs/dbraw/zinc/33/78/54/585337854.db2.gz OCPLIQWPGDJOEK-IWSPIJDZSA-N 0 1 242.275 0.678 20 5 BCBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCCO1 ZINC000839713545 585337919 /nfs/dbraw/zinc/33/79/19/585337919.db2.gz UNJIBCSBKJLMJE-ZYUZMQFOSA-N 0 1 242.275 0.725 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(CCCCO)C1CC1 ZINC000839712151 585338042 /nfs/dbraw/zinc/33/80/42/585338042.db2.gz DHAVKLXGNARHMN-NXEZZACHSA-N 0 1 242.275 0.415 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(F)(F)C1 ZINC000839721570 585338735 /nfs/dbraw/zinc/33/87/35/585338735.db2.gz RMLPHKYGKYEYEP-PHDIDXHHSA-N 0 1 220.175 0.519 20 5 BCBDMN CC(C)OCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723632 585338794 /nfs/dbraw/zinc/33/87/94/585338794.db2.gz WJAJITJVUIVMBQ-NXEZZACHSA-N 0 1 244.291 0.973 20 5 BCBDMN COCCC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839726059 585338798 /nfs/dbraw/zinc/33/87/98/585338798.db2.gz LRFYVZGMGLOIGF-RKDXNWHRSA-N 0 1 244.291 0.831 20 5 BCBDMN CO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839763398 585338995 /nfs/dbraw/zinc/33/89/95/585338995.db2.gz OFQXPKWYXSLYPX-BZNPZCIMSA-N 0 1 228.248 0.287 20 5 BCBDMN O=C(N[C@H]1CCCC1(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000839770120 585339453 /nfs/dbraw/zinc/33/94/53/585339453.db2.gz JOJVNOMISPHSQU-QYNIQEEDSA-N 0 1 234.202 0.956 20 5 BCBDMN CCc1ccnc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839749876 585340457 /nfs/dbraw/zinc/34/04/57/585340457.db2.gz FDDQMRCJIZBBJB-GHMZBOCLSA-N 0 1 249.270 0.925 20 5 BCBDMN CO[C@](C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839774261 585340971 /nfs/dbraw/zinc/34/09/71/585340971.db2.gz NLGHBKORCSJSPG-FXPVBKGRSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@H](F)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779470 585341429 /nfs/dbraw/zinc/34/14/29/585341429.db2.gz ZWKKAWGJSFWERN-RRKCRQDMSA-N 0 1 204.201 0.516 20 5 BCBDMN CO[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839779109 585341511 /nfs/dbraw/zinc/34/15/11/585341511.db2.gz SGAMUYAPOKTUFM-IWSPIJDZSA-N 0 1 228.248 0.193 20 5 BCBDMN CC(F)(F)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839780776 585341658 /nfs/dbraw/zinc/34/16/58/585341658.db2.gz WKTIBMGQUMZQQU-PHDIDXHHSA-N 0 1 222.191 0.813 20 5 BCBDMN CO[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1C ZINC000839781867 585341765 /nfs/dbraw/zinc/34/17/65/585341765.db2.gz AVSMMIPEWZCXEI-ZYUZMQFOSA-N 0 1 242.275 0.535 20 5 BCBDMN CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839788659 585342121 /nfs/dbraw/zinc/34/21/21/585342121.db2.gz HWHPUSXPUOTDGR-XLPZGREQSA-N 0 1 244.247 0.108 20 5 BCBDMN CCOC(=O)[C@H](C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839791853 585384784 /nfs/dbraw/zinc/38/47/84/585384784.db2.gz JVPSXSVWKSPKSK-XLPZGREQSA-N 0 1 244.247 0.062 20 5 BCBDMN COC1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839800480 585542011 /nfs/dbraw/zinc/54/20/11/585542011.db2.gz SKXUSINBSIMPRW-YDYPAMBWSA-N 0 1 242.275 0.725 20 5 BCBDMN NC(=O)CC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791052957 585972736 /nfs/dbraw/zinc/97/27/36/585972736.db2.gz PZVBXYJYAFEROP-SECBINFHSA-N 0 1 229.280 0.241 20 5 BCBDMN C[C@@H](O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000791051569 585972783 /nfs/dbraw/zinc/97/27/83/585972783.db2.gz FKRFRZISAIBMAK-MRVPVSSYSA-N 0 1 202.254 0.356 20 5 BCBDMN CC[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000817474386 586807220 /nfs/dbraw/zinc/80/72/20/586807220.db2.gz RCEMNEOGAIZIOS-ZYUZMQFOSA-N 0 1 242.275 0.725 20 5 BCBDMN CC(C)(C)[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840414312 587099972 /nfs/dbraw/zinc/09/99/72/587099972.db2.gz BMNUGJUKUCEXHP-BWZBUEFSSA-N 0 1 230.264 0.175 20 5 BCBDMN CC(C)[C@](C)(CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840464496 587112318 /nfs/dbraw/zinc/11/23/18/587112318.db2.gz WFXSYQHRSXKFEP-MRTMQBJTSA-N 0 1 230.264 0.175 20 5 BCBDMN O=C(NC1(C(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840469889 587160311 /nfs/dbraw/zinc/16/03/11/587160311.db2.gz SBGHXWNDUASPSP-RFZPGFLSSA-N 0 1 238.165 0.863 20 5 BCBDMN C[C@]1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCO1 ZINC000832457661 587661407 /nfs/dbraw/zinc/66/14/07/587661407.db2.gz TYFIXQJMOQTITG-FXPVBKGRSA-N 0 1 242.275 0.727 20 5 BCBDMN CC1(C)CO[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000832791837 587690303 /nfs/dbraw/zinc/69/03/03/587690303.db2.gz BEHBUVDZZHWHED-IWSPIJDZSA-N 0 1 242.275 0.583 20 5 BCBDMN COC(=O)C1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840674297 587916109 /nfs/dbraw/zinc/91/61/09/587916109.db2.gz KGJVMOMXOQKELW-RNFRBKRXSA-N 0 1 243.215 0.148 20 5 BCBDMN CC1(C)CC[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1=O ZINC000840675412 587916293 /nfs/dbraw/zinc/91/62/93/587916293.db2.gz YAJFNNRGZDYXTI-PRJMDXOYSA-N 0 1 241.243 0.953 20 5 BCBDMN O=C(OCCc1cncs1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675219 587916384 /nfs/dbraw/zinc/91/63/84/587916384.db2.gz UVNNLISUUZJBCN-HTQZYQBOSA-N 0 1 242.256 0.894 20 5 BCBDMN COCCCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841368933 587952853 /nfs/dbraw/zinc/95/28/53/587952853.db2.gz QMVNOKKCJLQFES-RKDXNWHRSA-N 0 1 230.264 0.537 20 5 BCBDMN COC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000842316274 588017025 /nfs/dbraw/zinc/01/70/25/588017025.db2.gz PJEFIRBDCPZHDX-HLTSFMKQSA-N 0 1 231.248 0.866 20 5 BCBDMN CC1(C)OC[C@@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000842326570 588017927 /nfs/dbraw/zinc/01/79/27/588017927.db2.gz BEYKTOCIVXSBKH-BWZBUEFSSA-N 0 1 245.231 0.346 20 5 BCBDMN COCC1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842351398 588020601 /nfs/dbraw/zinc/02/06/01/588020601.db2.gz GHBDHBRZJNXXHA-HTQZYQBOSA-N 0 1 229.232 0.621 20 5 BCBDMN C[C@H]1OCC[C@H]1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842355085 588020951 /nfs/dbraw/zinc/02/09/51/588020951.db2.gz UVDIHFGTEAKASY-BZNPZCIMSA-N 0 1 229.232 0.620 20 5 BCBDMN CCO[C@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000842360924 588021005 /nfs/dbraw/zinc/02/10/05/588021005.db2.gz NVZZIALWNHKHEF-BZNPZCIMSA-N 0 1 229.232 0.762 20 5 BCBDMN CS[C@@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842370319 588022093 /nfs/dbraw/zinc/02/20/93/588022093.db2.gz RWPOQXUFPFHJDZ-RRKCRQDMSA-N 0 1 219.262 0.946 20 5 BCBDMN C[C@@H]1COCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842372107 588022177 /nfs/dbraw/zinc/02/21/77/588022177.db2.gz MHWSRZAOWPYMEN-BGZDPUMWSA-N 0 1 229.232 0.620 20 5 BCBDMN CCNC(=O)C[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842375781 588022518 /nfs/dbraw/zinc/02/25/18/588022518.db2.gz OFXPYXNZBPDZIJ-XLPZGREQSA-N 0 1 244.247 0.110 20 5 BCBDMN CCNC(=O)C[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842375779 588022587 /nfs/dbraw/zinc/02/25/87/588022587.db2.gz OFXPYXNZBPDZIJ-BWZBUEFSSA-N 0 1 244.247 0.110 20 5 BCBDMN [NH3+]CCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000843129776 588085673 /nfs/dbraw/zinc/08/56/73/588085673.db2.gz WDCNTCCWSQYZTF-UHFFFAOYSA-N 0 1 223.192 0.474 20 5 BCBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CN)CC2 ZINC000843495506 588115600 /nfs/dbraw/zinc/11/56/00/588115600.db2.gz TYRGEYNCOGNORX-UHFFFAOYSA-N 0 1 235.243 0.751 20 5 BCBDMN CCON(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000844072334 588159484 /nfs/dbraw/zinc/15/94/84/588159484.db2.gz GRKQNLRNHYNOOT-HTQZYQBOSA-N 0 1 216.237 0.840 20 5 BCBDMN CCCONC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000844084913 588163212 /nfs/dbraw/zinc/16/32/12/588163212.db2.gz FAUCMMPNBYLQTQ-UHFFFAOYSA-N 0 1 214.181 0.389 20 5 BCBDMN CCC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846358289 588265003 /nfs/dbraw/zinc/26/50/03/588265003.db2.gz COSMMXVBIDYEHX-ZYUZMQFOSA-N 0 1 244.291 0.565 20 5 BCBDMN O=C(NCCC1(CO)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000846564227 588277835 /nfs/dbraw/zinc/27/78/35/588277835.db2.gz ZSWHHWYQQSFTCG-RKDXNWHRSA-N 0 1 242.275 0.321 20 5 BCBDMN COC[C@H](C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000847877474 588341666 /nfs/dbraw/zinc/34/16/66/588341666.db2.gz BXVSYRZGWFSKMB-IWSPIJDZSA-N 0 1 231.248 0.867 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1Cc2ccncc2C1 ZINC000848382526 588375413 /nfs/dbraw/zinc/37/54/13/588375413.db2.gz IBPQNCCWRFTVPP-NXEZZACHSA-N 0 1 233.227 0.589 20 5 BCBDMN O=C(OCc1cc[nH]n1)[C@@H]1CC1[N+](=O)[O-] ZINC000849807478 588501688 /nfs/dbraw/zinc/50/16/88/588501688.db2.gz QKQDENJTLUSZPH-RNFRBKRXSA-N 0 1 211.177 0.118 20 5 BCBDMN O=C(NCC1CC=CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862628339 589229444 /nfs/dbraw/zinc/22/94/44/589229444.db2.gz FYDQQIHHZRXKGM-RKDXNWHRSA-N 0 1 210.233 0.734 20 5 BCBDMN CN(CC1(C)COC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000862762915 589238102 /nfs/dbraw/zinc/23/81/02/589238102.db2.gz FHSNNYCWCSQWGW-HTQZYQBOSA-N 0 1 228.248 0.147 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCCO2 ZINC000862821440 589243350 /nfs/dbraw/zinc/24/33/50/589243350.db2.gz XIKDSMLNOKOBGV-HTQZYQBOSA-N 0 1 226.232 0.043 20 5 BCBDMN CCC[C@H](CCO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000869869069 589632080 /nfs/dbraw/zinc/63/20/80/589632080.db2.gz XMGKDRDRZWNFHZ-IWSPIJDZSA-N 0 1 230.264 0.319 20 5 BCBDMN O=C(NCc1ccnc(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000871007566 589710137 /nfs/dbraw/zinc/71/01/37/589710137.db2.gz DOFOUTGRGRTXIG-HTQZYQBOSA-N 0 1 239.206 0.502 20 5 BCBDMN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC(F)(F)C1 ZINC000874852178 590147165 /nfs/dbraw/zinc/14/71/65/590147165.db2.gz ZUAXGKRTRAHGJK-PHDIDXHHSA-N 0 1 234.202 0.956 20 5 BCBDMN CC(C)(O)[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000874873063 590152239 /nfs/dbraw/zinc/15/22/39/590152239.db2.gz ZBCVJRGJAWDWPM-DJLDLDEBSA-N 0 1 242.275 0.271 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](CF)C1 ZINC000881602767 591252826 /nfs/dbraw/zinc/25/28/26/591252826.db2.gz DFCGDHCQUFYQPM-DJLDLDEBSA-N 0 1 230.239 0.860 20 5 BCBDMN C[C@@H]1CCC(=O)CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000885076266 592046989 /nfs/dbraw/zinc/04/69/89/592046989.db2.gz QDONPJJVADXCOU-FTLITQJKSA-N 0 1 226.232 0.232 20 5 BCBDMN CCO[C@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000885328464 592067625 /nfs/dbraw/zinc/06/76/25/592067625.db2.gz KFQVWWANCRNCQU-DJLDLDEBSA-N 0 1 228.248 0.289 20 5 BCBDMN COC(=O)CC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931620312 635127269 /nfs/dbraw/zinc/12/72/69/635127269.db2.gz QEMJEHBVJSOBQO-SNVBAGLBSA-N 0 1 244.291 0.928 20 5 BCBDMN CN(Cc1nnc[nH]1)c1cccnc1[N+](=O)[O-] ZINC000610647728 631523935 /nfs/dbraw/zinc/52/39/35/631523935.db2.gz YEPAZEWDQFZDPV-UHFFFAOYSA-N 0 1 234.219 0.744 20 5 BCBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]1CO ZINC000934015585 631611534 /nfs/dbraw/zinc/61/15/34/631611534.db2.gz PEHWOCUELOBHFL-SECBINFHSA-N 0 1 240.263 0.166 20 5 BCBDMN CC[C@@H](C)NC(=O)CCNCC[N+](=O)[O-] ZINC000905052681 637568645 /nfs/dbraw/zinc/56/86/45/637568645.db2.gz SYGWEZQQATWCHW-MRVPVSSYSA-N 0 1 217.269 0.158 20 5 BCBDMN CC(C)OC(=O)CCNCC[N+](=O)[O-] ZINC000905027862 637575177 /nfs/dbraw/zinc/57/51/77/637575177.db2.gz SPTTYKGGWCNYAU-UHFFFAOYSA-N 0 1 204.226 0.194 20 5 BCBDMN O=C(CCNCC[N+](=O)[O-])NC1CCCCC1 ZINC000905058564 637592539 /nfs/dbraw/zinc/59/25/39/637592539.db2.gz HEASSBSZHUQDHS-UHFFFAOYSA-N 0 1 243.307 0.692 20 5 BCBDMN CC(C)(C)OC(=O)CCNCC[N+](=O)[O-] ZINC000905136504 637646913 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210.193 0.456 20 5 BCBDMN O=C(N[C@@H]1C[C@@H]1C(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000345846301 490104632 /nfs/dbraw/zinc/10/46/32/490104632.db2.gz TWLRWJXFYRQZRN-IUYQGCFVSA-N 0 1 246.173 0.701 20 5 BCBDMN Cc1cc([N+](=O)[O-])cnc1NCc1nn[nH]n1 ZINC000052812829 491118342 /nfs/dbraw/zinc/11/83/42/491118342.db2.gz UWTPXZVCYOIZGM-UHFFFAOYSA-N 0 1 235.207 0.423 20 5 BCBDMN Cc1nnc(COC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000853919857 588769139 /nfs/dbraw/zinc/76/91/39/588769139.db2.gz DDPQCHMXXWQLMT-PHDIDXHHSA-N 0 1 243.244 0.555 20 5 BCBDMN O=C(NC/C=C/c1cccnc1)[C@@H]1CC1[N+](=O)[O-] ZINC000854634730 588798483 /nfs/dbraw/zinc/79/84/83/588798483.db2.gz IPYCFIRONIDRPA-JTNORFRNSA-N 0 1 247.254 0.876 20 5 BCBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000855855604 588851396 /nfs/dbraw/zinc/85/13/96/588851396.db2.gz AMQBDUFBYKMONW-HRDYMLBCSA-N 0 1 212.249 0.956 20 5 BCBDMN O=C(N[C@@H]1C[C@H](O)C12CCC2)[C@@H]1CC1[N+](=O)[O-] ZINC000855922304 588854168 /nfs/dbraw/zinc/85/41/68/588854168.db2.gz JMEIBBIVMCSNSP-BGZDPUMWSA-N 0 1 240.259 0.071 20 5 BCBDMN CC1(C)C[C@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856139367 588862677 /nfs/dbraw/zinc/86/26/77/588862677.db2.gz UDSMQOOUHWIVJB-XSSZXYGBSA-N 0 1 212.249 0.956 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@]1(C)CO ZINC000856246430 588865392 /nfs/dbraw/zinc/86/53/92/588865392.db2.gz VUIDKEGONXSPBP-SJQPAMGKSA-N 0 1 242.275 0.129 20 5 BCBDMN CC(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671685 583407495 /nfs/dbraw/zinc/40/74/95/583407495.db2.gz ZGTRAEDCNQZQNY-RNFRBKRXSA-N 0 1 215.205 0.420 20 5 BCBDMN O=C(OC[C@H]1CCCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673647 583425390 /nfs/dbraw/zinc/42/53/90/583425390.db2.gz WZEVVLOIAAWSGO-DJLDLDEBSA-N 0 1 229.232 0.621 20 5 BCBDMN C[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1CO ZINC000857361161 588906722 /nfs/dbraw/zinc/90/67/22/588906722.db2.gz MLZXVUKZYNDMBV-UTINFBMNSA-N 0 1 242.275 0.129 20 5 BCBDMN CN(CCCF)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000895300481 583641776 /nfs/dbraw/zinc/64/17/76/583641776.db2.gz NAGSSKPMHGYORZ-RNFRBKRXSA-N 0 1 204.201 0.470 20 5 BCBDMN COc1ccccc1OCCNCC[N+](=O)[O-] ZINC000899859646 584242582 /nfs/dbraw/zinc/24/25/82/584242582.db2.gz LRIHVDKJNVALAL-UHFFFAOYSA-N 0 1 240.259 0.940 20 5 BCBDMN CN(C)[C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000899859674 584242838 /nfs/dbraw/zinc/24/28/38/584242838.db2.gz MDBXMOBUAXZWSQ-SECBINFHSA-N 0 1 227.264 0.749 20 5 BCBDMN C[C@]1(COC(=O)[C@@H]2CC2[N+](=O)[O-])CCCO1 ZINC000842320087 584892133 /nfs/dbraw/zinc/89/21/33/584892133.db2.gz AEBPUQDKUZNBBW-NQMVMOMDSA-N 0 1 229.232 0.764 20 5 BCBDMN O=C(O[C@H]1CCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000730402575 584910535 /nfs/dbraw/zinc/91/05/35/584910535.db2.gz VKLDLRJJGGLRGL-LURJTMIESA-N 0 1 226.188 0.869 20 5 BCBDMN C[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839460397 585103603 /nfs/dbraw/zinc/10/36/03/585103603.db2.gz JARIWMAEAAERNO-IWSPIJDZSA-N 0 1 212.249 0.910 20 5 BCBDMN CCN(CCOC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839511758 585106029 /nfs/dbraw/zinc/10/60/29/585106029.db2.gz DMWHMIJHDOZMTB-HTQZYQBOSA-N 0 1 216.237 0.147 20 5 BCBDMN C[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)O1 ZINC000839580844 585330910 /nfs/dbraw/zinc/33/09/10/585330910.db2.gz VDOFSWWIHDULPJ-DJLDLDEBSA-N 0 1 242.275 0.678 20 5 BCBDMN O=C(N[C@@H]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839684926 585335007 /nfs/dbraw/zinc/33/50/07/585335007.db2.gz CXHWIQUDHAGLSE-IWSPIJDZSA-N 0 1 210.233 0.877 20 5 BCBDMN O=C(N[C@H]1CCSC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839690923 585335264 /nfs/dbraw/zinc/33/52/64/585335264.db2.gz KDNLDILSKSHTPH-RRKCRQDMSA-N 0 1 216.262 0.273 20 5 BCBDMN CCC[C@@](C)(O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839687356 585335346 /nfs/dbraw/zinc/33/53/46/585335346.db2.gz CHQYHHCOWXULRU-NQMVMOMDSA-N 0 1 230.264 0.319 20 5 BCBDMN C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839688861 585335377 /nfs/dbraw/zinc/33/53/77/585335377.db2.gz HXFKOJNRBGESLK-IWSPIJDZSA-N 0 1 244.291 0.565 20 5 BCBDMN O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839698804 585335750 /nfs/dbraw/zinc/33/57/50/585335750.db2.gz RQDAYOBIIYNYDP-SGIHWFKDSA-N 0 1 242.275 0.319 20 5 BCBDMN C[C@@H]1[C@@H](C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839699354 585335766 /nfs/dbraw/zinc/33/57/66/585335766.db2.gz WLDYXVDQWZKIFA-JQCXWYLXSA-N 0 1 212.249 0.909 20 5 BCBDMN CO[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839695146 585335790 /nfs/dbraw/zinc/33/57/90/585335790.db2.gz ZZKLUCQHARZIRY-HLTSFMKQSA-N 0 1 230.264 0.439 20 5 BCBDMN O=C(NC[C@@H]1CCCS1)[C@@H]1CC1[N+](=O)[O-] ZINC000839700789 585335855 /nfs/dbraw/zinc/33/58/55/585335855.db2.gz KEFRUCKQVPJPML-XLPZGREQSA-N 0 1 230.289 0.663 20 5 BCBDMN CCN(CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839680026 585336936 /nfs/dbraw/zinc/33/69/36/585336936.db2.gz NKCRMCRQWIYJAA-RKDXNWHRSA-N 0 1 212.249 0.910 20 5 BCBDMN Cc1ccc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000839681916 585337179 /nfs/dbraw/zinc/33/71/79/585337179.db2.gz WCCMOSGVHMXYAU-GHMZBOCLSA-N 0 1 249.270 0.714 20 5 BCBDMN CCC(CC)[C@@H](O)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681258 585337303 /nfs/dbraw/zinc/33/73/03/585337303.db2.gz RHQYYMPISBTKIW-BBBLOLIVSA-N 0 1 244.291 0.565 20 5 BCBDMN C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000839734280 585337343 /nfs/dbraw/zinc/33/73/43/585337343.db2.gz RADIYLMJJBJVNJ-JDDHQFAOSA-N 0 1 242.275 0.676 20 5 BCBDMN CN(Cc1cccn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839703952 585337431 /nfs/dbraw/zinc/33/74/31/585337431.db2.gz MCCPEJIQXZORJK-NXEZZACHSA-N 0 1 237.259 0.649 20 5 BCBDMN COC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839709988 585337712 /nfs/dbraw/zinc/33/77/12/585337712.db2.gz KUYKBCRUCIXMAS-IWSPIJDZSA-N 0 1 228.248 0.193 20 5 BCBDMN CN(CCC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707823 585337891 /nfs/dbraw/zinc/33/78/91/585337891.db2.gz GNZVKPCWYSNPOH-RKDXNWHRSA-N 0 1 212.249 0.910 20 5 BCBDMN O=C(NCC1(C2CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839711973 585338073 /nfs/dbraw/zinc/33/80/73/585338073.db2.gz CDYDMSQBXWOMNG-RKDXNWHRSA-N 0 1 224.260 0.958 20 5 BCBDMN CC1(C)C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839711947 585338103 /nfs/dbraw/zinc/33/81/03/585338103.db2.gz CMPXXRMICIKOGC-DJLDLDEBSA-N 0 1 242.275 0.725 20 5 BCBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC ZINC000839719717 585338272 /nfs/dbraw/zinc/33/82/72/585338272.db2.gz YAUUMCIVBLEVQR-GJMOJQLCSA-N 0 1 244.247 0.110 20 5 BCBDMN C[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839719532 585338489 /nfs/dbraw/zinc/33/84/89/585338489.db2.gz ZXMWJWXSSKHMRU-AXTSPUMRSA-N 0 1 242.275 0.583 20 5 BCBDMN C[C@H]1OCC[C@@]1(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839723699 585338535 /nfs/dbraw/zinc/33/85/35/585338535.db2.gz JXIVDXURICZGTH-FDDDBJFASA-N 0 1 228.248 0.335 20 5 BCBDMN O=C(NCC[C@@H]1CCCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839721964 585338631 /nfs/dbraw/zinc/33/86/31/585338631.db2.gz RXDOKWXMSRCSGA-IVZWLZJFSA-N 0 1 242.275 0.727 20 5 BCBDMN CC(C)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000839726862 585338678 /nfs/dbraw/zinc/33/86/78/585338678.db2.gz ZRKBNMKELKYYSF-BBBLOLIVSA-N 0 1 242.275 0.535 20 5 BCBDMN C/C=C/C[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839729038 585338970 /nfs/dbraw/zinc/33/89/70/585338970.db2.gz VAYQRZZVUMUWAG-NSVNRLROSA-N 0 1 228.248 0.095 20 5 BCBDMN CO[C@@H](C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839764678 585339052 /nfs/dbraw/zinc/33/90/52/585339052.db2.gz FWXWBZQDZSMXIH-XLPZGREQSA-N 0 1 216.237 0.145 20 5 BCBDMN CC(C)SCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839765259 585339083 /nfs/dbraw/zinc/33/90/83/585339083.db2.gz NVJJSZXICZDLPX-HTQZYQBOSA-N 0 1 232.305 0.909 20 5 BCBDMN O=C(N[C@@H](CO)CC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747762 585340112 /nfs/dbraw/zinc/34/01/12/585340112.db2.gz KPBPNFHELDFIBH-OPRDCNLKSA-N 0 1 242.275 0.319 20 5 BCBDMN C[C@@H](F)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839779468 585341375 /nfs/dbraw/zinc/34/13/75/585341375.db2.gz ZWKKAWGJSFWERN-FSDSQADBSA-N 0 1 204.201 0.516 20 5 BCBDMN CC1(C)OCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839783671 585341870 /nfs/dbraw/zinc/34/18/70/585341870.db2.gz JZPRULUKUIJGEF-BWZBUEFSSA-N 0 1 228.248 0.335 20 5 BCBDMN CC1(C)COC[C@@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839786111 585341921 /nfs/dbraw/zinc/34/19/21/585341921.db2.gz CJVJMUBNSVRVCK-PRJMDXOYSA-N 0 1 228.248 0.193 20 5 BCBDMN O=C(NCCC[C@H]1CCOC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839789268 585342200 /nfs/dbraw/zinc/34/22/00/585342200.db2.gz XEWDQOPXTJOIMF-IVZWLZJFSA-N 0 1 242.275 0.585 20 5 BCBDMN CC1(C2CCN(CC[N+](=O)[O-])CC2)OCCO1 ZINC000787730330 585915053 /nfs/dbraw/zinc/91/50/53/585915053.db2.gz NTLYHTXIZVEZEI-UHFFFAOYSA-N 0 1 244.291 0.738 20 5 BCBDMN O=C(Nc1c[nH]nn1)c1cccc([N+](=O)[O-])c1 ZINC000789922555 585953128 /nfs/dbraw/zinc/95/31/28/585953128.db2.gz IBEINEUJHLIETL-UHFFFAOYSA-N 0 1 233.187 0.965 20 5 BCBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c[nH]nn1 ZINC000789922542 585953162 /nfs/dbraw/zinc/95/31/62/585953162.db2.gz HJPKKGSZEZUIBC-UHFFFAOYSA-N 0 1 248.202 0.669 20 5 BCBDMN COC(=O)[C@H](C)CN(C)CC[N+](=O)[O-] ZINC000791054782 585973157 /nfs/dbraw/zinc/97/31/57/585973157.db2.gz XTBFCFQGIXZKDX-SSDOTTSWSA-N 0 1 204.226 0.004 20 5 BCBDMN Cc1n[nH]c([C@H]2CCCN(CC[N+](=O)[O-])C2)n1 ZINC000791053271 585973376 /nfs/dbraw/zinc/97/33/76/585973376.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 0 1 239.279 0.569 20 5 BCBDMN Cc1nnc([C@H]2CCCN(CC[N+](=O)[O-])C2)[nH]1 ZINC000791053271 585973377 /nfs/dbraw/zinc/97/33/77/585973377.db2.gz CQIVEFXJOPYNFI-VIFPVBQESA-N 0 1 239.279 0.569 20 5 BCBDMN O=C(N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000839930365 586242281 /nfs/dbraw/zinc/24/22/81/586242281.db2.gz QKIHXVYSQMYFNM-FNCVBFRFSA-N 0 1 236.227 0.917 20 5 BCBDMN CCCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840258364 586579266 /nfs/dbraw/zinc/57/92/66/586579266.db2.gz DJNWNKOJUROZJJ-RKDXNWHRSA-N 0 1 230.264 0.273 20 5 BCBDMN C[N@H+](CCC(=O)[O-])CCn1cc([N+](=O)[O-])cn1 ZINC000818462977 586891982 /nfs/dbraw/zinc/89/19/82/586891982.db2.gz GPIIWUJDPJWUGI-UHFFFAOYSA-N 0 1 242.235 0.198 20 5 BCBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000819624891 586982097 /nfs/dbraw/zinc/98/20/97/586982097.db2.gz JLNUGDGVENEJJA-VPENINKCSA-N 0 1 226.154 0.719 20 5 BCBDMN C[C@H]1CN=C(NC(=O)[C@@H]2CC2[N+](=O)[O-])S1 ZINC000819783582 586994652 /nfs/dbraw/zinc/99/46/52/586994652.db2.gz IUNCAQCQSAUHEG-KVQBGUIXSA-N 0 1 229.261 0.259 20 5 BCBDMN C[C@@H](O)[C@H]1CCCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840412318 587099560 /nfs/dbraw/zinc/09/95/60/587099560.db2.gz STEYZASZWIOTOK-ZYUZMQFOSA-N 0 1 242.275 0.414 20 5 BCBDMN CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)[O-] ZINC000829713563 587511311 /nfs/dbraw/zinc/51/13/11/587511311.db2.gz KIVVZWLWNQCIBY-UHFFFAOYSA-N 0 1 242.235 0.198 20 5 BCBDMN O=C(N[C@H]1CCCC[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000831412458 587604306 /nfs/dbraw/zinc/60/43/06/587604306.db2.gz ULOMPTDSGCWXSQ-BZNPZCIMSA-N 0 1 228.248 0.071 20 5 BCBDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1OC2CCC1CC2 ZINC000831502988 587614869 /nfs/dbraw/zinc/61/48/69/587614869.db2.gz DAQQRVHWAQZQSM-GEPGNKONSA-N 0 1 226.232 0.737 20 5 BCBDMN Cc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC000840669729 587915791 /nfs/dbraw/zinc/91/57/91/587915791.db2.gz JFYSHRCRPBMUQM-RKDXNWHRSA-N 0 1 239.231 0.437 20 5 BCBDMN O=C(OC[C@H]1CCC[C@H](O)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675276 587916193 /nfs/dbraw/zinc/91/61/93/587916193.db2.gz WJGDHTSCYFAKJU-AXTSPUMRSA-N 0 1 243.259 0.746 20 5 BCBDMN O=C(OCc1cncs1)[C@@H]1CC1[N+](=O)[O-] ZINC000841170926 587948295 /nfs/dbraw/zinc/94/82/95/587948295.db2.gz ZNIDXYPPTNHKPP-RNFRBKRXSA-N 0 1 228.229 0.852 20 5 BCBDMN CCn1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC000841197272 587948915 /nfs/dbraw/zinc/94/89/15/587948915.db2.gz JDRDTAGEXBAXBZ-HTQZYQBOSA-N 0 1 225.204 0.474 20 5 BCBDMN CO[C@H](C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842313389 588016397 /nfs/dbraw/zinc/01/63/97/588016397.db2.gz RGBMWELIWWDUKG-BWZBUEFSSA-N 0 1 217.221 0.620 20 5 BCBDMN CCOC(=O)[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842316692 588016769 /nfs/dbraw/zinc/01/67/69/588016769.db2.gz WHAYMHOEBWJFJL-BWZBUEFSSA-N 0 1 245.231 0.394 20 5 BCBDMN C[C@H](Cn1cccn1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842320359 588017119 /nfs/dbraw/zinc/01/71/19/588017119.db2.gz SBRBNJCIVIJKFB-IWSPIJDZSA-N 0 1 239.231 0.480 20 5 BCBDMN C[C@]1(OC(=O)[C@@H]2CC2[N+](=O)[O-])CCOC1 ZINC000842353267 588020610 /nfs/dbraw/zinc/02/06/10/588020610.db2.gz GWCFMUCOWSCUAO-BHNWBGBOSA-N 0 1 215.205 0.374 20 5 BCBDMN COCC(C)(C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842365538 588021843 /nfs/dbraw/zinc/02/18/43/588021843.db2.gz SMRJBOLDELRKQP-HTQZYQBOSA-N 0 1 231.248 0.867 20 5 BCBDMN CS[C@H](C)COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842370317 588022080 /nfs/dbraw/zinc/02/20/80/588022080.db2.gz RWPOQXUFPFHJDZ-FSDSQADBSA-N 0 1 219.262 0.946 20 5 BCBDMN CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000844862503 588218535 /nfs/dbraw/zinc/21/85/35/588218535.db2.gz MCMSXCGYUVBXGI-ZYUZMQFOSA-N 0 1 242.275 0.725 20 5 BCBDMN CCC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000846358287 588264932 /nfs/dbraw/zinc/26/49/32/588264932.db2.gz COSMMXVBIDYEHX-SGIHWFKDSA-N 0 1 244.291 0.565 20 5 BCBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](F)C1 ZINC000846628563 588279830 /nfs/dbraw/zinc/27/98/30/588279830.db2.gz AKRSKWSOCAJNOF-BWZBUEFSSA-N 0 1 216.212 0.612 20 5 BCBDMN Cc1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])co1 ZINC000848766768 588413118 /nfs/dbraw/zinc/41/31/18/588413118.db2.gz XPKSWUVKUKXZNX-HTQZYQBOSA-N 0 1 226.188 0.691 20 5 BCBDMN CC(=O)[C@H](C)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000849807630 588501619 /nfs/dbraw/zinc/50/16/19/588501619.db2.gz RYTXOYZZVABCRH-FTLITQJKSA-N 0 1 229.232 0.810 20 5 BCBDMN Cn1ccc(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC000851164050 588595493 /nfs/dbraw/zinc/59/54/93/588595493.db2.gz AHVYTKZHHNNMKB-RKDXNWHRSA-N 0 1 239.231 0.171 20 5 BCBDMN O=C(OCc1cnsc1)[C@@H]1CC1[N+](=O)[O-] ZINC000861210490 589148469 /nfs/dbraw/zinc/14/84/69/589148469.db2.gz RKUZVNDLPOYYMU-RNFRBKRXSA-N 0 1 228.229 0.852 20 5 BCBDMN COC[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000885795545 589161654 /nfs/dbraw/zinc/16/16/54/589161654.db2.gz MYDRMNHFIRBGTG-IVZWLZJFSA-N 0 1 244.291 0.686 20 5 BCBDMN O=C(N[C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000863283744 589276019 /nfs/dbraw/zinc/27/60/19/589276019.db2.gz TXYJQHBHNOZAHZ-ZYUZMQFOSA-N 0 1 240.259 0.335 20 5 BCBDMN CNCc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641967 589386813 /nfs/dbraw/zinc/38/68/13/589386813.db2.gz DYZAHVKVXJQSKA-UHFFFAOYSA-N 0 1 213.241 0.053 20 5 BCBDMN CNC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000870862563 589691660 /nfs/dbraw/zinc/69/16/60/589691660.db2.gz VIGBZRRSBZLYLY-JTQLQIEISA-N 0 1 223.232 0.515 20 5 BCBDMN C[C@@H](O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000871267595 589753243 /nfs/dbraw/zinc/75/32/43/589753243.db2.gz ZYYDHMHVMBYLLB-SZEHBUNVSA-N 0 1 242.275 0.271 20 5 BCBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)=O ZINC000873402553 590038929 /nfs/dbraw/zinc/03/89/29/590038929.db2.gz SGLVFZZRFHSWLE-BWZBUEFSSA-N 0 1 215.205 0.562 20 5 BCBDMN CC(C)(C)OC(=O)NCCNCC[N+](=O)[O-] ZINC000905072085 637603956 /nfs/dbraw/zinc/60/39/56/637603956.db2.gz QFCLLHWBMPDCPD-UHFFFAOYSA-N 0 1 233.268 0.377 20 5 BCBDMN O=[N+]([O-])CCN[C@H]1CCN(c2ccccn2)C1 ZINC000905185481 637667001 /nfs/dbraw/zinc/66/70/01/637667001.db2.gz BRKGGYZJXAQMOS-JTQLQIEISA-N 0 1 236.275 0.527 20 5 BCBDMN O=[N+]([O-])CCNCCc1cscn1 ZINC000905168479 637679457 /nfs/dbraw/zinc/67/94/57/637679457.db2.gz ZPUWGCPAFRPNNB-UHFFFAOYSA-N 0 1 201.251 0.552 20 5 BCBDMN O=[N+]([O-])CCNCCOCC(F)(F)C(F)F ZINC000905229346 637690760 /nfs/dbraw/zinc/69/07/60/637690760.db2.gz AYDCBLBBTQTZAV-UHFFFAOYSA-N 0 1 248.176 0.770 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)c1ccccc1F ZINC000905341656 637783347 /nfs/dbraw/zinc/78/33/47/637783347.db2.gz PSNZQMPHNJEJSP-SNVBAGLBSA-N 0 1 228.223 0.725 20 5 BCBDMN O=[N+]([O-])CCNC[C@@H](O)Cc1cccc(F)c1 ZINC000905364624 637788075 /nfs/dbraw/zinc/78/80/75/637788075.db2.gz KSCGEBKRXVMXSP-NSHDSACASA-N 0 1 242.250 0.595 20 5 BCBDMN O=[N+]([O-])CCN[C@H]1Cc2ccccc2[C@@H]1O ZINC000905705435 637891153 /nfs/dbraw/zinc/89/11/53/637891153.db2.gz YMQNPLXHSXFTKE-QWRGUYRKSA-N 0 1 222.244 0.511 20 5 BCBDMN CN(CC[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000930650913 639845318 /nfs/dbraw/zinc/84/53/18/639845318.db2.gz QQNQKSZUWOZLOJ-SECBINFHSA-N 0 1 218.297 0.992 20 5 BCBDMN Cc1n[nH]c([C@@H]2CCN(CC[N+](=O)[O-])C2)n1 ZINC000930724397 639879029 /nfs/dbraw/zinc/87/90/29/639879029.db2.gz DIFRKCPZAPPVRS-MRVPVSSYSA-N 0 1 225.252 0.179 20 5 BCBDMN Cc1nnc([C@@H]2CCN(CC[N+](=O)[O-])C2)[nH]1 ZINC000930724397 639879031 /nfs/dbraw/zinc/87/90/31/639879031.db2.gz DIFRKCPZAPPVRS-MRVPVSSYSA-N 0 1 225.252 0.179 20 5 BCBDMN COC(=O)[C@]1(C)CCCN(CC[N+](=O)[O-])C1 ZINC000930735874 639885679 /nfs/dbraw/zinc/88/56/79/639885679.db2.gz CCIQLSDCYCCWJR-SNVBAGLBSA-N 0 1 230.264 0.538 20 5 BCBDMN C[C@@]12COC[C@]1(C)CN(CC[N+](=O)[O-])C2 ZINC000930972320 640007039 /nfs/dbraw/zinc/00/70/39/640007039.db2.gz ZHCWCNXQDKLIOL-AOOOYVTPSA-N 0 1 214.265 0.622 20 5 BCBDMN O=[N+]([O-])CCN1C[C@H](O)CC2(CCOCC2)C1 ZINC000931706801 640329097 /nfs/dbraw/zinc/32/90/97/640329097.db2.gz LDCAWSPENUXGJX-SNVBAGLBSA-N 0 1 244.291 0.127 20 5 BCBDMN CC[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000931773197 640366305 /nfs/dbraw/zinc/36/63/05/640366305.db2.gz RGZDIHRUNXRNCD-VIFPVBQESA-N 0 1 225.248 0.850 20 5 BCBDMN C[C@@H](NC[C@H](O)CO)c1ccccc1[N+](=O)[O-] ZINC000090281898 643127327 /nfs/dbraw/zinc/12/73/27/643127327.db2.gz HBNNCOUBWLLUMN-BDAKNGLRSA-N 0 1 240.259 0.599 20 5 BCBDMN C[C@H]1COC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000932486971 643311941 /nfs/dbraw/zinc/31/19/41/643311941.db2.gz FNRWRXOBQWVRBO-IONNQARKSA-N 0 1 240.263 0.453 20 5 BCBDMN C[C@@H]1COC[C@H]1NCc1cn(C)nc1[N+](=O)[O-] ZINC000932486972 643312193 /nfs/dbraw/zinc/31/21/93/643312193.db2.gz FNRWRXOBQWVRBO-VXNVDRBHSA-N 0 1 240.263 0.453 20 5 BCBDMN O=C(NC[C@H]1CCC=CO1)[C@@H]1CC1[N+](=O)[O-] ZINC000839731159 644630579 /nfs/dbraw/zinc/63/05/79/644630579.db2.gz NNOLIZYZPULEAF-IWSPIJDZSA-N 0 1 226.232 0.461 20 5 BCBDMN C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839731038 644631113 /nfs/dbraw/zinc/63/11/13/644631113.db2.gz MXFKCLNBXCIKCI-RBXMUDONSA-N 0 1 212.249 0.956 20 5 BCBDMN C[C@H]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])O1 ZINC000839793808 644649869 /nfs/dbraw/zinc/64/98/69/644649869.db2.gz QLXQZQITJKMQPI-RBXMUDONSA-N 0 1 228.248 0.335 20 5 BCBDMN CC(C)(CCC(=O)NCCN1CCC1)[N+](=O)[O-] ZINC000827238763 645075229 /nfs/dbraw/zinc/07/52/29/645075229.db2.gz XKRJYMOLKFJWMC-UHFFFAOYSA-N 0 1 243.307 0.644 20 5 BCBDMN CCCNC(=O)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929420684 646114856 /nfs/dbraw/zinc/11/48/56/646114856.db2.gz RMKRSNSOALXIFF-SNVBAGLBSA-N 0 1 243.307 0.501 20 5 BCBDMN CC(C)(C)CN(CCO)CC[N+](=O)[O-] ZINC000929600478 646192393 /nfs/dbraw/zinc/19/23/93/646192393.db2.gz HUQSQNFZUJXMGB-UHFFFAOYSA-N 0 1 204.270 0.604 20 5 BCBDMN CNC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037224643 712554556 /nfs/dbraw/zinc/55/45/56/712554556.db2.gz DFEXIEPQNFZIKV-MRVPVSSYSA-N 0 1 237.259 0.991 20 5 BCBDMN