smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000076991602 344050449 /nfs/dbraw/zinc/05/04/49/344050449.db2.gz SXFHLJKTZNLHMT-UHFFFAOYSA-N 0 3 240.259 0.898 20 5 BCBDHN CN(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC000080684592 345430366 /nfs/dbraw/zinc/43/03/66/345430366.db2.gz JDRYWCOJNAHLNR-UHFFFAOYSA-N 0 3 224.264 0.988 20 5 BCBDHN Cc1nn(C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594696874 348101224 /nfs/dbraw/zinc/10/12/24/348101224.db2.gz SHJCVPQYITUMSK-QMMMGPOBSA-N 0 3 226.236 0.088 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1C[C@H]1CNCCO1 ZINC000594699100 348101910 /nfs/dbraw/zinc/10/19/10/348101910.db2.gz PWUWBBQBIPKITK-MRVPVSSYSA-N 0 3 226.236 0.088 20 5 BCBDHN CN(C)C1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596178119 348454777 /nfs/dbraw/zinc/45/47/77/348454777.db2.gz ICQZGEFBGQDYME-UHFFFAOYSA-N 0 3 238.247 0.446 20 5 BCBDHN C[C@@H](O)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000419805996 192145726 /nfs/dbraw/zinc/14/57/26/192145726.db2.gz HGCCTSOIDLFJPF-LDYMZIIASA-N 0 3 240.259 0.426 20 5 BCBDHN Cc1nn(C)c(NCCN(C)C)c1[N+](=O)[O-] ZINC000036749219 180358589 /nfs/dbraw/zinc/35/85/89/180358589.db2.gz PZUDOCVHRWUYON-UHFFFAOYSA-N 0 3 227.268 0.610 20 5 BCBDHN CNC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000044988739 188297838 /nfs/dbraw/zinc/29/78/38/188297838.db2.gz XFLCTIQJQUHGFQ-UHFFFAOYSA-N 0 3 237.259 0.821 20 5 BCBDHN C[C@@H](Cn1cc([N+](=O)[O-])cc(F)c1=O)N(C)C ZINC000583564241 355646180 /nfs/dbraw/zinc/64/61/80/355646180.db2.gz HPPSGPZXOMDFDH-ZETCQYMHSA-N 0 3 243.238 0.846 20 5 BCBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000083361907 181328197 /nfs/dbraw/zinc/32/81/97/181328197.db2.gz SPGFDISUIXKTOB-UHFFFAOYSA-N 0 3 235.243 0.702 20 5 BCBDHN NC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000083361908 181328251 /nfs/dbraw/zinc/32/82/51/181328251.db2.gz SORVVTLTOWAZMQ-UHFFFAOYSA-N 0 3 235.243 0.702 20 5 BCBDHN NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000036746886 361393991 /nfs/dbraw/zinc/39/39/91/361393991.db2.gz CHNLFRBKPBGHGM-UHFFFAOYSA-N 0 3 223.232 0.560 20 5 BCBDHN NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000083365525 181352628 /nfs/dbraw/zinc/35/26/28/181352628.db2.gz IYEFHRVLNLBJRQ-UHFFFAOYSA-N 0 3 238.247 0.082 20 5 BCBDHN C[C@H](NC(=O)CN)c1cccc([N+](=O)[O-])c1 ZINC000037766497 364599512 /nfs/dbraw/zinc/59/95/12/364599512.db2.gz NTVZMXKDZFYNMH-ZETCQYMHSA-N 0 3 223.232 0.731 20 5 BCBDHN NCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000575292786 365280159 /nfs/dbraw/zinc/28/01/59/365280159.db2.gz APZSUYMVKUQBEA-UHFFFAOYSA-N 0 3 217.612 0.369 20 5 BCBDHN CC(C)(N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015943 383888578 /nfs/dbraw/zinc/88/85/78/383888578.db2.gz CZVNVDJACXOXHD-UHFFFAOYSA-N 0 3 237.259 0.948 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN(CCO)C2CC2)n1 ZINC000176209749 384467869 /nfs/dbraw/zinc/46/78/69/384467869.db2.gz OMBNFDGKNPABBS-UHFFFAOYSA-N 0 3 240.263 0.248 20 5 BCBDHN COC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000070980133 384487048 /nfs/dbraw/zinc/48/70/48/384487048.db2.gz VTWVZKSONMMFMQ-JTQLQIEISA-N 0 3 240.259 0.692 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H](C)O ZINC000051837528 385946924 /nfs/dbraw/zinc/94/69/24/385946924.db2.gz PFNLHGGMZCPNRP-QMMMGPOBSA-N 0 3 242.279 0.412 20 5 BCBDHN CCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267046405 386748999 /nfs/dbraw/zinc/74/89/99/386748999.db2.gz FBZAMSBAFUUNPP-UHFFFAOYSA-N 0 3 228.252 0.106 20 5 BCBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000353615492 388372164 /nfs/dbraw/zinc/37/21/64/388372164.db2.gz LVJVLINGQOPCAT-UHFFFAOYSA-N 0 3 241.247 0.821 20 5 BCBDHN Cc1nc(N(C)CCN(C)C)ncc1[N+](=O)[O-] ZINC000297459075 388567691 /nfs/dbraw/zinc/56/76/91/388567691.db2.gz JZDCGQBSTAJRID-UHFFFAOYSA-N 0 3 239.279 0.691 20 5 BCBDHN CN(CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000281789151 388807991 /nfs/dbraw/zinc/80/79/91/388807991.db2.gz JRYMIUPQQJBXQO-UHFFFAOYSA-N 0 3 228.252 0.106 20 5 BCBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347946481 136019497 /nfs/dbraw/zinc/01/94/97/136019497.db2.gz OLUOCRMAKPAMJW-UHFFFAOYSA-N 0 3 240.263 0.604 20 5 BCBDHN O=C1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CN1 ZINC000110911232 397904467 /nfs/dbraw/zinc/90/44/67/397904467.db2.gz HMXKNAXIHNRPMY-JTQLQIEISA-N 0 3 249.270 0.963 20 5 BCBDHN O=[N+]([O-])c1cnc(N2CCN3CC[C@H]2C3)nc1 ZINC000599082771 398002331 /nfs/dbraw/zinc/00/23/31/398002331.db2.gz HLICTPCWRQOZLJ-QMMMGPOBSA-N 0 3 235.247 0.279 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2CO)c1 ZINC000174867928 398015619 /nfs/dbraw/zinc/01/56/19/398015619.db2.gz LUEJVRGUXMHUKH-VIFPVBQESA-N 0 3 240.263 0.248 20 5 BCBDHN CN(CCNc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000058938165 411491421 /nfs/dbraw/zinc/49/14/21/411491421.db2.gz WPVFMWJMZYCYTJ-UHFFFAOYSA-N 0 3 239.279 0.834 20 5 BCBDHN CC1(C)CO[C@H](CNCC[N+](=O)[O-])C1 ZINC000905410103 637800428 /nfs/dbraw/zinc/80/04/28/637800428.db2.gz YNFYZAMDRFPZMN-QMMMGPOBSA-N 0 3 202.254 0.668 20 5 BCBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548317991 325447777 /nfs/dbraw/zinc/44/77/77/325447777.db2.gz RXUULWJCKMZNNA-UHFFFAOYSA-N 0 3 238.247 0.281 20 5 BCBDHN O=[N+]([O-])c1ccc(N2CCN3CC[C@H]2C3)cn1 ZINC000599083492 566270848 /nfs/dbraw/zinc/27/08/48/566270848.db2.gz NROFJRPGQWSNOL-JTQLQIEISA-N 0 3 234.259 0.884 20 5 BCBDHN CCn1cc(CC(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813112469 582589576 /nfs/dbraw/zinc/58/95/76/582589576.db2.gz QHJDBPLPJARUML-QMMMGPOBSA-N 0 3 241.247 0.654 20 5 BCBDHN CC(COC(=O)CCc1cncnc1)[N+](=O)[O-] ZINC000797279254 583921131 /nfs/dbraw/zinc/92/11/31/583921131.db2.gz JVUCPAXNEQDSPC-QMMMGPOBSA-N 0 3 239.231 0.618 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1Cc2ccccc2O1 ZINC000899871835 584244318 /nfs/dbraw/zinc/24/43/18/584244318.db2.gz WRBGMBUSYKOFPW-SNVBAGLBSA-N 0 3 222.244 0.856 20 5 BCBDHN O=[N+]([O-])CCNCCCOCC1CC1 ZINC000899864816 584245030 /nfs/dbraw/zinc/24/50/30/584245030.db2.gz BGTYGFZKZDWUPW-UHFFFAOYSA-N 0 3 202.254 0.669 20 5 BCBDHN C[C@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644942 585204914 /nfs/dbraw/zinc/20/49/14/585204914.db2.gz FYFRKUWEWHEMOB-KWQFWETISA-N 0 3 240.259 0.599 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3C[C@@H]32)n1 ZINC000761101490 585409614 /nfs/dbraw/zinc/40/96/14/585409614.db2.gz YRGNZZCBDJCIAD-BDAKNGLRSA-N 0 3 222.248 0.886 20 5 BCBDHN O=[N+]([O-])CCN(CCO)C1CCCCC1 ZINC000791054634 585973421 /nfs/dbraw/zinc/97/34/21/585973421.db2.gz MSYYIWBWLHTQGA-UHFFFAOYSA-N 0 3 216.281 0.890 20 5 BCBDHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000797279008 586124904 /nfs/dbraw/zinc/12/49/04/586124904.db2.gz HOWLLWRZIOCXFG-SSDOTTSWSA-N 0 3 241.247 0.479 20 5 BCBDHN O=[N+]([O-])CCN1CCCC[C@@H]1CCO ZINC000798195444 586139769 /nfs/dbraw/zinc/13/97/69/586139769.db2.gz NNORNQFBSRQLAO-SECBINFHSA-N 0 3 202.254 0.500 20 5 BCBDHN COC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813099951 586591712 /nfs/dbraw/zinc/59/17/12/586591712.db2.gz IGOOVSWNEYFDRK-LURJTMIESA-N 0 3 231.204 0.148 20 5 BCBDHN CC(COC(=O)CCCn1cccn1)[N+](=O)[O-] ZINC000813102847 586591853 /nfs/dbraw/zinc/59/18/53/586591853.db2.gz KEVVPZNYJKCOEC-VIFPVBQESA-N 0 3 241.247 0.872 20 5 BCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)n1 ZINC000813102103 586591975 /nfs/dbraw/zinc/59/19/75/586591975.db2.gz NWMVQEWCNKOUDF-SSDOTTSWSA-N 0 3 227.220 0.551 20 5 BCBDHN CCOCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106925 586592642 /nfs/dbraw/zinc/59/26/42/586592642.db2.gz ICLSQMVMEXUGCI-SSDOTTSWSA-N 0 3 205.210 0.621 20 5 BCBDHN CC(COC(=O)C[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813106579 586592679 /nfs/dbraw/zinc/59/26/79/586592679.db2.gz FFEDHCVFUIQQCA-YUMQZZPRSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)[C@@H]1CCOC[C@H]1C)[N+](=O)[O-] ZINC000813106373 586592700 /nfs/dbraw/zinc/59/27/00/586592700.db2.gz BWKALATZACVIHR-HRDYMLBCSA-N 0 3 231.248 0.867 20 5 BCBDHN CC(COC(=O)c1cnn(CCF)c1)[N+](=O)[O-] ZINC000813107720 586592784 /nfs/dbraw/zinc/59/27/84/586592784.db2.gz UWYHEGOMNYKAKW-SSDOTTSWSA-N 0 3 245.210 0.675 20 5 BCBDHN CNC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813106495 586592804 /nfs/dbraw/zinc/59/28/04/586592804.db2.gz DHBCZMLOVLCRSP-SSDOTTSWSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)C[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813106578 586592920 /nfs/dbraw/zinc/59/29/20/586592920.db2.gz FFEDHCVFUIQQCA-SFYZADRCSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)Cc1ccnn1C)[N+](=O)[O-] ZINC000813106337 586592924 /nfs/dbraw/zinc/59/29/24/586592924.db2.gz BAIOBUKIEVBBQV-ZETCQYMHSA-N 0 3 227.220 0.171 20 5 BCBDHN CCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107990 586592926 /nfs/dbraw/zinc/59/29/26/586592926.db2.gz ZWPUEHPFFUKVHD-RQJHMYQMSA-N 0 3 205.210 0.620 20 5 BCBDHN COC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109757 586593011 /nfs/dbraw/zinc/59/30/11/586593011.db2.gz WDIOMXPRWDYOIZ-SFYZADRCSA-N 0 3 219.237 0.867 20 5 BCBDHN CC(COC(=O)[C@]1(C)CCCO1)[N+](=O)[O-] ZINC000813109202 586593015 /nfs/dbraw/zinc/59/30/15/586593015.db2.gz GRTSXVFCMXWLCB-APPZFPTMSA-N 0 3 217.221 0.764 20 5 BCBDHN Cc1ncc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813108665 586593021 /nfs/dbraw/zinc/59/30/21/586593021.db2.gz JLNZGKDFYYUYCQ-LURJTMIESA-N 0 3 239.231 0.915 20 5 BCBDHN COc1ncc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813108416 586593103 /nfs/dbraw/zinc/59/31/03/586593103.db2.gz YHAICHHUIILDKQ-LURJTMIESA-N 0 3 241.203 0.307 20 5 BCBDHN CC(COC(=O)c1cocn1)[N+](=O)[O-] ZINC000813109994 586593135 /nfs/dbraw/zinc/59/31/35/586593135.db2.gz YGTWAIZDEIMAMX-YFKPBYRVSA-N 0 3 200.150 0.497 20 5 BCBDHN CC(COC(=O)[C@@]1(C)CCC(=O)NC1)[N+](=O)[O-] ZINC000813111564 586593459 /nfs/dbraw/zinc/59/34/59/586593459.db2.gz UWJCOVOEGRDDJV-XVKPBYJWSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)C1=COCCC1)[N+](=O)[O-] ZINC000813112411 586593541 /nfs/dbraw/zinc/59/35/41/586593541.db2.gz GOSBQVXJPFCZTG-ZETCQYMHSA-N 0 3 215.205 0.889 20 5 BCBDHN CC(COC(=O)/C=C/c1ccncn1)[N+](=O)[O-] ZINC000813112090 586593673 /nfs/dbraw/zinc/59/36/73/586593673.db2.gz ZMRDNHCDOYPQTK-UFUPEUMYSA-N 0 3 237.215 0.698 20 5 BCBDHN CCOCCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113562 586593882 /nfs/dbraw/zinc/59/38/82/586593882.db2.gz GGPVOPMREPSGMF-DTWKUNHWSA-N 0 3 249.263 0.636 20 5 BCBDHN CC(COC(=O)[C@@]1(C)CCOC1)[N+](=O)[O-] ZINC000813113444 586594174 /nfs/dbraw/zinc/59/41/74/586594174.db2.gz PYRMEVRZZMKBCE-CBAPKCEASA-N 0 3 217.221 0.621 20 5 BCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813115214 586594466 /nfs/dbraw/zinc/59/44/66/586594466.db2.gz MZRJBSPNJKTDFA-ZCFIWIBFSA-N 0 3 227.220 0.551 20 5 BCBDHN CC(COC(=O)/C=C\[C@H]1CCCO1)[N+](=O)[O-] ZINC000821166810 587098452 /nfs/dbraw/zinc/09/84/52/587098452.db2.gz HNTGZXZQBZJUOA-UVSMVFJQSA-N 0 3 229.232 0.930 20 5 BCBDHN CC(COC(=O)/C=C/[C@H]1CCCO1)[N+](=O)[O-] ZINC000821166807 587100106 /nfs/dbraw/zinc/10/01/06/587100106.db2.gz HNTGZXZQBZJUOA-HOMPQPGZSA-N 0 3 229.232 0.930 20 5 BCBDHN Cc1ccnn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000860777806 589119345 /nfs/dbraw/zinc/11/93/45/589119345.db2.gz WMRODZIZRAMKKC-MRVPVSSYSA-N 0 3 227.220 0.400 20 5 BCBDHN Cc1cncn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000860777036 589119383 /nfs/dbraw/zinc/11/93/83/589119383.db2.gz JOKLNWXVXRNRLT-QMMMGPOBSA-N 0 3 227.220 0.400 20 5 BCBDHN Cc1cncn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000860777034 589119426 /nfs/dbraw/zinc/11/94/26/589119426.db2.gz JOKLNWXVXRNRLT-MRVPVSSYSA-N 0 3 227.220 0.400 20 5 BCBDHN COC1CC(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000860777639 589119448 /nfs/dbraw/zinc/11/94/48/589119448.db2.gz RXJBLMLWVYJIIX-KKMMWDRVSA-N 0 3 217.221 0.620 20 5 BCBDHN Cc1conc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870378867 589661505 /nfs/dbraw/zinc/66/15/05/589661505.db2.gz YYXDZFHREIPKQP-ZCFIWIBFSA-N 0 3 214.177 0.805 20 5 BCBDHN C[C@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755768 591949358 /nfs/dbraw/zinc/94/93/58/591949358.db2.gz JYDGTTIKGXBNHP-GZMMTYOYSA-N 0 3 240.259 0.599 20 5 BCBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])nc1 ZINC000884824800 592022757 /nfs/dbraw/zinc/02/27/57/592022757.db2.gz OPQKQWAZMZOLAE-UHFFFAOYSA-N 0 3 240.263 0.326 20 5 BCBDHN Cc1ncc2c(n1)CC[C@@H](NCC[N+](=O)[O-])C2 ZINC000905040277 637559235 /nfs/dbraw/zinc/55/92/35/637559235.db2.gz LYIZBIYLLBSNKF-SNVBAGLBSA-N 0 3 236.275 0.509 20 5 BCBDHN CC[S@](=O)[C@H]1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905153482 637636868 /nfs/dbraw/zinc/63/68/68/637636868.db2.gz FMSAUELFMIYQHK-PUTJDCORSA-N 0 3 248.348 0.933 20 5 BCBDHN C[C@H](CO[C@@H]1CCOC1)NCC[N+](=O)[O-] ZINC000905158098 637640045 /nfs/dbraw/zinc/64/00/45/637640045.db2.gz DLOMRUSIVWNYAP-RKDXNWHRSA-N 0 3 218.253 0.047 20 5 BCBDHN Cc1cnccc1CCNCC[N+](=O)[O-] ZINC000905188222 637669069 /nfs/dbraw/zinc/66/90/69/637669069.db2.gz QCYYDOONINUQCK-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN CCOC(=O)C[C@H](C)CNCC[N+](=O)[O-] ZINC000905186420 637669499 /nfs/dbraw/zinc/66/94/99/637669499.db2.gz AVXXNXVMKILCQW-QMMMGPOBSA-N 0 3 218.253 0.442 20 5 BCBDHN C[C@@H](Cc1cnn(C)c1)NCC[N+](=O)[O-] ZINC000905281399 637734458 /nfs/dbraw/zinc/73/44/58/637734458.db2.gz UNMAGIJHXXOHBR-QMMMGPOBSA-N 0 3 212.253 0.217 20 5 BCBDHN CC[C@@H](C)C[C@@H](CO)NCC[N+](=O)[O-] ZINC000905358830 637776783 /nfs/dbraw/zinc/77/67/83/637776783.db2.gz QUPDIUNWGDLYDG-BDAKNGLRSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCNCC[C@H](O)c1ccccc1 ZINC000905363597 637788331 /nfs/dbraw/zinc/78/83/31/637788331.db2.gz ZBZFRXUJLWHECT-NSHDSACASA-N 0 3 224.260 0.976 20 5 BCBDHN O=[N+]([O-])CCNCC[C@@H](O)C1CCCC1 ZINC000905408523 637799242 /nfs/dbraw/zinc/79/92/42/637799242.db2.gz OLYJAVWDOAUPGM-SNVBAGLBSA-N 0 3 216.281 0.794 20 5 BCBDHN COc1ccc(CCNCC[N+](=O)[O-])cc1O ZINC000905416265 637802773 /nfs/dbraw/zinc/80/27/73/637802773.db2.gz ZUAQDHMLSDZCNQ-UHFFFAOYSA-N 0 3 240.259 0.810 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1COC2(CCC2)C1 ZINC000905455614 637822154 /nfs/dbraw/zinc/82/21/54/637822154.db2.gz ZUSCRQVBLWRBLF-MRVPVSSYSA-N 0 3 200.238 0.564 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905516795 637841805 /nfs/dbraw/zinc/84/18/05/637841805.db2.gz NRVPOOXNPGNIMT-NKWVEPMBSA-N 0 3 242.197 0.963 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000905516797 637842622 /nfs/dbraw/zinc/84/26/22/637842622.db2.gz NRVPOOXNPGNIMT-RNFRBKRXSA-N 0 3 242.197 0.963 20 5 BCBDHN C[C@H]1CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971886 637986777 /nfs/dbraw/zinc/98/67/77/637986777.db2.gz DNEGIIJBUOQSEN-WCBMZHEXSA-N 0 3 240.263 0.246 20 5 BCBDHN CN1CCN(CC[N+](=O)[O-])CC1(C)C ZINC000930312770 639697764 /nfs/dbraw/zinc/69/77/64/639697764.db2.gz QXHKOTYYUBRVIT-UHFFFAOYSA-N 0 3 201.270 0.289 20 5 BCBDHN CO[C@@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930628766 639830788 /nfs/dbraw/zinc/83/07/88/639830788.db2.gz OYDUKOXFMNRASP-HTQZYQBOSA-N 0 3 202.254 0.666 20 5 BCBDHN C[C@@H]1[C@H](CO)CCCN1CC[N+](=O)[O-] ZINC000930740854 639889400 /nfs/dbraw/zinc/88/94/00/639889400.db2.gz WSYCKJYQTNRIQP-BDAKNGLRSA-N 0 3 202.254 0.356 20 5 BCBDHN C[C@H]1[C@H](CO)CCCN1CC[N+](=O)[O-] ZINC000930740856 639890958 /nfs/dbraw/zinc/89/09/58/639890958.db2.gz WSYCKJYQTNRIQP-IUCAKERBSA-N 0 3 202.254 0.356 20 5 BCBDHN COCCN1[C@H](C)CN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930817429 639908604 /nfs/dbraw/zinc/90/86/04/639908604.db2.gz IKAOPVLWVPRJHP-PHIMTYICSA-N 0 3 245.323 0.304 20 5 BCBDHN O=[N+]([O-])CCN1C[C@@H]2CSC[C@@H]2C1 ZINC000931746477 640345996 /nfs/dbraw/zinc/34/59/96/640345996.db2.gz JSFOUJQGDHCYRR-OCAPTIKFSA-N 0 3 202.279 0.558 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H]([C@H]2CCCO2)C1 ZINC000931750983 640348808 /nfs/dbraw/zinc/34/88/08/640348808.db2.gz AUBNVOASWULQAK-VHSXEESVSA-N 0 3 214.265 0.764 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@H]2COCC[C@@H]21 ZINC000929822519 646338119 /nfs/dbraw/zinc/33/81/19/646338119.db2.gz DPLFLDAJAOHVKT-UWVGGRQHSA-N 0 3 214.265 0.764 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@H]2COCC[C@H]21 ZINC000929822523 646339566 /nfs/dbraw/zinc/33/95/66/646339566.db2.gz DPLFLDAJAOHVKT-VHSXEESVSA-N 0 3 214.265 0.764 20 5 BCBDHN CCN1CCN(CC[N+](=O)[O-])C[C@H]1C ZINC000930084979 646426763 /nfs/dbraw/zinc/42/67/63/646426763.db2.gz FNNKVOYCVKMXLV-SECBINFHSA-N 0 3 201.270 0.289 20 5 BCBDHN C[C@@H](O)[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000717391500 712653849 /nfs/dbraw/zinc/65/38/49/712653849.db2.gz BAPPIFFPHYFFPM-KCJUWKMLSA-N 0 3 240.259 0.426 20 5 BCBDHN C[C@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000719570497 712810859 /nfs/dbraw/zinc/81/08/59/712810859.db2.gz DVMUNSCKSHJNJS-YUMQZZPRSA-N 0 3 239.279 0.833 20 5 BCBDHN CN[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576288810 365553764 /nfs/dbraw/zinc/55/37/64/365553764.db2.gz FUVUGZPMEQWLQT-SECBINFHSA-N 0 3 249.226 0.446 20 5 BCBDHN Cc1cc([N+](=O)[O-])cn(CCN(C)C)c1=O ZINC000096778469 178274044 /nfs/dbraw/zinc/27/40/44/178274044.db2.gz YBUCDTOXGOERGD-UHFFFAOYSA-N 0 3 225.248 0.627 20 5 BCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC1 ZINC000071515244 343686894 /nfs/dbraw/zinc/68/68/94/343686894.db2.gz HXYJJASJYJGQMC-UHFFFAOYSA-N 0 3 237.259 0.852 20 5 BCBDHN C[C@@](O)(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000090284701 344268004 /nfs/dbraw/zinc/26/80/04/344268004.db2.gz HLFMWOJSMIMIRO-NSHDSACASA-N 0 3 240.259 0.428 20 5 BCBDHN O=[N+]([O-])c1ncccc1OC[C@@H]1CNCCO1 ZINC000594699508 348101624 /nfs/dbraw/zinc/10/16/24/348101624.db2.gz XFVNWHVLIFTPPP-QMMMGPOBSA-N 0 3 239.231 0.357 20 5 BCBDHN C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1 ZINC000596016976 348431197 /nfs/dbraw/zinc/43/11/97/348431197.db2.gz XLXCJHIWRUCEIL-SSDOTTSWSA-N 0 3 237.263 0.370 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000596244964 348485869 /nfs/dbraw/zinc/48/58/69/348485869.db2.gz SUTFKTHVZJFHNF-ZETCQYMHSA-N 0 3 245.304 0.991 20 5 BCBDHN C[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1F ZINC000420217074 192192561 /nfs/dbraw/zinc/19/25/61/192192561.db2.gz IAFLONIUYZXXNM-SSDOTTSWSA-N 0 3 240.238 0.927 20 5 BCBDHN CN(c1ncc([N+](=O)[O-])cc1F)C1CNC1 ZINC000420255616 192188343 /nfs/dbraw/zinc/18/83/43/192188343.db2.gz HWKWEDZOTQJXIJ-UHFFFAOYSA-N 0 3 226.211 0.537 20 5 BCBDHN O=C1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)N1 ZINC000079926223 370704764 /nfs/dbraw/zinc/70/47/64/370704764.db2.gz ZGIJSIUICGAIPC-JTQLQIEISA-N 0 3 249.270 0.963 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000008374815 372591522 /nfs/dbraw/zinc/59/15/22/372591522.db2.gz BNAMMNTVOXCVJK-UHFFFAOYSA-N 0 3 239.279 0.836 20 5 BCBDHN C[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015921 384587082 /nfs/dbraw/zinc/58/70/82/384587082.db2.gz JHHLEHQSFWPLIK-SSDOTTSWSA-N 0 3 223.232 0.558 20 5 BCBDHN CO[C@@H](CN)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000227346961 385130626 /nfs/dbraw/zinc/13/06/26/385130626.db2.gz DFMXOXHPYVQJMC-VIFPVBQESA-N 0 3 239.231 0.507 20 5 BCBDHN CO[C@H](CN)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000227346970 385130919 /nfs/dbraw/zinc/13/09/19/385130919.db2.gz DFMXOXHPYVQJMC-SECBINFHSA-N 0 3 239.231 0.507 20 5 BCBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000263967738 385186872 /nfs/dbraw/zinc/18/68/72/385186872.db2.gz SWMFSZJDJRYPRH-ZCFIWIBFSA-N 0 3 240.267 0.329 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN(CCO)C2CC2)c1 ZINC000266898506 386622735 /nfs/dbraw/zinc/62/27/35/386622735.db2.gz HMMVANKHTRFBIE-UHFFFAOYSA-N 0 3 240.263 0.248 20 5 BCBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000346142536 387024851 /nfs/dbraw/zinc/02/48/51/387024851.db2.gz RMICEPRSHIUHSG-SSDOTTSWSA-N 0 3 240.263 0.603 20 5 BCBDHN CN(CCCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000276372263 388740031 /nfs/dbraw/zinc/74/00/31/388740031.db2.gz KAPYCUYPGNAYTD-UHFFFAOYSA-N 0 3 242.279 0.496 20 5 BCBDHN CN(CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000281964103 388810924 /nfs/dbraw/zinc/81/09/24/388810924.db2.gz VHQUACWJSRFUDL-UHFFFAOYSA-N 0 3 228.252 0.106 20 5 BCBDHN C[C@@H](Cn1cccc([N+](=O)[O-])c1=O)N(C)C ZINC000330884991 388761519 /nfs/dbraw/zinc/76/15/19/388761519.db2.gz PYAPPYFLPUFFFG-QMMMGPOBSA-N 0 3 225.248 0.707 20 5 BCBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)O ZINC000352228994 134110765 /nfs/dbraw/zinc/11/07/65/134110765.db2.gz BURMXAFDCMQNTQ-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1N1CCNC(C)(C)C1 ZINC000212811532 134620433 /nfs/dbraw/zinc/62/04/33/134620433.db2.gz RAZPCTZYXXLDKW-UHFFFAOYSA-N 0 3 239.279 0.517 20 5 BCBDHN 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CC(COC(=O)C1=COCC1)[N+](=O)[O-] ZINC000813113143 582589546 /nfs/dbraw/zinc/58/95/46/582589546.db2.gz BLFMWHUHMOKDOF-ZCFIWIBFSA-N 0 3 201.178 0.499 20 5 BCBDHN CC(COC(=O)Cn1ccccc1=O)[N+](=O)[O-] ZINC000813113081 582590127 /nfs/dbraw/zinc/59/01/27/582590127.db2.gz XEFQBHPCYZDRDU-MRVPVSSYSA-N 0 3 240.215 0.057 20 5 BCBDHN Cn1ncc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000891563847 582697331 /nfs/dbraw/zinc/69/73/31/582697331.db2.gz HERIONUQGMZREA-UHFFFAOYSA-N 0 3 239.279 0.836 20 5 BCBDHN CO[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCSC1 ZINC000893047532 583037913 /nfs/dbraw/zinc/03/79/13/583037913.db2.gz MWPRVGQDXLORIQ-APPZFPTMSA-N 0 3 249.288 0.717 20 5 BCBDHN CN1C[C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893938826 583254163 /nfs/dbraw/zinc/25/41/63/583254163.db2.gz GJWHIWBZXXRDEQ-WCBMZHEXSA-N 0 3 249.274 0.525 20 5 BCBDHN CCOC(=O)N1CCC(NCC[N+](=O)[O-])CC1 ZINC000899859286 584242680 /nfs/dbraw/zinc/24/26/80/584242680.db2.gz IMZQUTFHLATWOD-UHFFFAOYSA-N 0 3 245.279 0.474 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1Cc2ccccc2O1 ZINC000899871834 584244608 /nfs/dbraw/zinc/24/46/08/584244608.db2.gz WRBGMBUSYKOFPW-JTQLQIEISA-N 0 3 222.244 0.856 20 5 BCBDHN CC(C)CN1CCO[C@H](CNCC[N+](=O)[O-])C1 ZINC000899875785 584245234 /nfs/dbraw/zinc/24/52/34/584245234.db2.gz IJBGTJCXSMVSLV-LLVKDONJSA-N 0 3 245.323 0.210 20 5 BCBDHN C[C@@H](CNCC[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000899891353 584246072 /nfs/dbraw/zinc/24/60/72/584246072.db2.gz OHAFATYBZHAJHU-GARJFASQSA-N 0 3 245.323 0.350 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3C[C@@H]32)c1 ZINC000761093195 585408191 /nfs/dbraw/zinc/40/81/91/585408191.db2.gz NKPWFFPBGLLFQG-SCZZXKLOSA-N 0 3 222.248 0.886 20 5 BCBDHN O=[N+]([O-])CCN(C[C@H]1CCOC1)C1CC1 ZINC000791052710 585972635 /nfs/dbraw/zinc/97/26/35/585972635.db2.gz ASDHNQHQEGMIAH-SECBINFHSA-N 0 3 214.265 0.764 20 5 BCBDHN COC[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791051421 585972955 /nfs/dbraw/zinc/97/29/55/585972955.db2.gz CTKPWNODOGXKAN-SECBINFHSA-N 0 3 202.254 0.622 20 5 BCBDHN 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CC(COC(=O)[C@@H]1CCOC[C@H]1C)[N+](=O)[O-] ZINC000813106374 586592914 /nfs/dbraw/zinc/59/29/14/586592914.db2.gz BWKALATZACVIHR-IWSPIJDZSA-N 0 3 231.248 0.867 20 5 BCBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813109313 586593075 /nfs/dbraw/zinc/59/30/75/586593075.db2.gz HUKZGRYMDJJUCU-ZETCQYMHSA-N 0 3 240.215 0.912 20 5 BCBDHN CC(COC(=O)CCc1ccnn1C)[N+](=O)[O-] ZINC000813110043 586593209 /nfs/dbraw/zinc/59/32/09/586593209.db2.gz ZBJCREBUYDVCKO-QMMMGPOBSA-N 0 3 241.247 0.561 20 5 BCBDHN CCOCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109241 586593245 /nfs/dbraw/zinc/59/32/45/586593245.db2.gz QCGUROLOTJXNJN-QMMMGPOBSA-N 0 3 235.236 0.248 20 5 BCBDHN CC(COC(=O)[C@@H]1C[C@]12CCOC2)[N+](=O)[O-] ZINC000813109330 586593267 /nfs/dbraw/zinc/59/32/67/586593267.db2.gz ICMWJWRXTZIKDE-WEDXCCLWSA-N 0 3 229.232 0.621 20 5 BCBDHN CC(COC(=O)/C=C/c1cnn(C)c1)[N+](=O)[O-] ZINC000813112449 586593453 /nfs/dbraw/zinc/59/34/53/586593453.db2.gz QAMCRPGUCMQEDZ-RTMURIBGSA-N 0 3 239.231 0.642 20 5 BCBDHN CC(COC(=O)/C=C\c1cnn(C)c1)[N+](=O)[O-] ZINC000813112450 586593547 /nfs/dbraw/zinc/59/35/47/586593547.db2.gz QAMCRPGUCMQEDZ-TUUFMJSCSA-N 0 3 239.231 0.642 20 5 BCBDHN CC(COC(=O)[C@H]1CO[C@H](C)C1)[N+](=O)[O-] ZINC000813111022 586593585 /nfs/dbraw/zinc/59/35/85/586593585.db2.gz APFKWJYIOJFPLU-BWZBUEFSSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)CCc1ncccn1)[N+](=O)[O-] ZINC000813111743 586593671 /nfs/dbraw/zinc/59/36/71/586593671.db2.gz KTJUNMNDLSXCGN-MRVPVSSYSA-N 0 3 239.231 0.618 20 5 BCBDHN Cc1ncoc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111700 586593728 /nfs/dbraw/zinc/59/37/28/586593728.db2.gz KJKDLZIHEDUXQY-RXMQYKEDSA-N 0 3 214.177 0.805 20 5 BCBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])COC1 ZINC000813111674 586593734 /nfs/dbraw/zinc/59/37/34/586593734.db2.gz KETWQNGGQQWYGE-ZETCQYMHSA-N 0 3 217.221 0.621 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115204 586593776 /nfs/dbraw/zinc/59/37/76/586593776.db2.gz MSLCTDXRVSGRFB-XPUUQOCRSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)COC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813111500 586593786 /nfs/dbraw/zinc/59/37/86/586593786.db2.gz TZNKICWMVYHDEJ-DTWKUNHWSA-N 0 3 247.247 0.390 20 5 BCBDHN CC(COC(=O)Cc1ccc(F)cn1)[N+](=O)[O-] ZINC000813113411 586593864 /nfs/dbraw/zinc/59/38/64/586593864.db2.gz DIPQEHJQWPGVGJ-ZETCQYMHSA-N 0 3 242.206 0.972 20 5 BCBDHN CC(COC(=O)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813113290 586593901 /nfs/dbraw/zinc/59/39/01/586593901.db2.gz PCZHRGUIKFKCHH-NKWVEPMBSA-N 0 3 219.262 0.948 20 5 BCBDHN CC(COC(=O)C1(C)COC1)[N+](=O)[O-] ZINC000813113783 586594168 /nfs/dbraw/zinc/59/41/68/586594168.db2.gz IUSPRANZNVXGDD-ZCFIWIBFSA-N 0 3 203.194 0.231 20 5 BCBDHN CC(COC(=O)c1cc(Cl)n(C)n1)[N+](=O)[O-] ZINC000835455766 587803180 /nfs/dbraw/zinc/80/31/80/587803180.db2.gz OOMOFYIGKUDESP-YFKPBYRVSA-N 0 3 247.638 0.896 20 5 BCBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842802361 588064887 /nfs/dbraw/zinc/06/48/87/588064887.db2.gz WPIHSJZMYNHDHJ-ZCFIWIBFSA-N 0 3 203.194 0.374 20 5 BCBDHN CCn1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000842802175 588065062 /nfs/dbraw/zinc/06/50/62/588065062.db2.gz SBGAEIMOGCZQPB-SSDOTTSWSA-N 0 3 227.220 0.725 20 5 BCBDHN COc1ccnc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000842802407 588065207 /nfs/dbraw/zinc/06/52/07/588065207.db2.gz YEVUPBZKXJTWTI-SSDOTTSWSA-N 0 3 240.215 0.912 20 5 BCBDHN COC/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000845577603 588233804 /nfs/dbraw/zinc/23/38/04/588233804.db2.gz XNDRZDSKYLHENE-NZGHECTNSA-N 0 3 217.221 0.788 20 5 BCBDHN CC(COC(=O)c1cccnn1)[N+](=O)[O-] ZINC000860777643 589119355 /nfs/dbraw/zinc/11/93/55/589119355.db2.gz SAKDQMDIAWBTDK-ZCFIWIBFSA-N 0 3 211.177 0.299 20 5 BCBDHN Cc1ccnn1CC(=O)OCC(C)[N+](=O)[O-] ZINC000860777807 589119559 /nfs/dbraw/zinc/11/95/59/589119559.db2.gz WMRODZIZRAMKKC-QMMMGPOBSA-N 0 3 227.220 0.400 20 5 BCBDHN Cc1ccc(CNC(=O)[C@@H](C)N)cc1[N+](=O)[O-] ZINC000867995422 589543154 /nfs/dbraw/zinc/54/31/54/589543154.db2.gz CUZRVLLWSCDYTH-MRVPVSSYSA-N 0 3 237.259 0.867 20 5 BCBDHN CC(COC(=O)C1(F)CCOCC1)[N+](=O)[O-] ZINC000870376440 589661131 /nfs/dbraw/zinc/66/11/31/589661131.db2.gz JOQDHQLORRANLF-ZETCQYMHSA-N 0 3 235.211 0.714 20 5 BCBDHN Cc1conc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870378866 589661540 /nfs/dbraw/zinc/66/15/40/589661540.db2.gz YYXDZFHREIPKQP-LURJTMIESA-N 0 3 214.177 0.805 20 5 BCBDHN CC(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377675 589661661 /nfs/dbraw/zinc/66/16/61/589661661.db2.gz RZHMETBRXBBEMZ-VXNVDRBHSA-N 0 3 244.247 0.206 20 5 BCBDHN CN(CCO)CCNc1ccccc1[N+](=O)[O-] ZINC000884822846 592022108 /nfs/dbraw/zinc/02/21/08/592022108.db2.gz GZPXNIJNEWWSNQ-UHFFFAOYSA-N 0 3 239.275 0.931 20 5 BCBDHN C[C@H](Cc1ccncc1)NCC[N+](=O)[O-] ZINC000905156577 637638524 /nfs/dbraw/zinc/63/85/24/637638524.db2.gz UBLPAPCWWGDEIN-SECBINFHSA-N 0 3 209.249 0.879 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCc2n[nH]cc2C1 ZINC000905167835 637679051 /nfs/dbraw/zinc/67/90/51/637679051.db2.gz WDGWKPSJCRVGIK-MRVPVSSYSA-N 0 3 210.237 0.133 20 5 BCBDHN CCNC(=O)C1(CNCC[N+](=O)[O-])CCC1 ZINC000905234309 637720417 /nfs/dbraw/zinc/72/04/17/637720417.db2.gz YTAODILYOODVCK-UHFFFAOYSA-N 0 3 229.280 0.159 20 5 BCBDHN CC1(C)CC[C@@H](CNCC[N+](=O)[O-])O1 ZINC000905234072 637721275 /nfs/dbraw/zinc/72/12/75/637721275.db2.gz YECVSHGHRWWSGC-QMMMGPOBSA-N 0 3 202.254 0.810 20 5 BCBDHN CO[C@H]([C@H](C)NCC[N+](=O)[O-])C1CC1 ZINC000905278030 637734413 /nfs/dbraw/zinc/73/44/13/637734413.db2.gz BEJZPTCAIRDZOP-IONNQARKSA-N 0 3 202.254 0.666 20 5 BCBDHN CO[C@@H]([C@H](C)NCC[N+](=O)[O-])C1CC1 ZINC000905278029 637734518 /nfs/dbraw/zinc/73/45/18/637734518.db2.gz BEJZPTCAIRDZOP-CBAPKCEASA-N 0 3 202.254 0.666 20 5 BCBDHN CC(C)(C)C[C@@H](O)CNCC[N+](=O)[O-] ZINC000905354715 637772988 /nfs/dbraw/zinc/77/29/88/637772988.db2.gz PEFPZQQOWLVLRA-MRVPVSSYSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCN[C@H](CCO)Cc1ccccc1 ZINC000905371097 637792195 /nfs/dbraw/zinc/79/21/95/637792195.db2.gz FXIHRRXSNHMBJM-GFCCVEGCSA-N 0 3 238.287 0.846 20 5 BCBDHN COC(=O)[C@]12C[C@H]1C[C@H](NCC[N+](=O)[O-])C2 ZINC000905405124 637796385 /nfs/dbraw/zinc/79/63/85/637796385.db2.gz PWKWZRLGJMATCM-WEDXCCLWSA-N 0 3 228.248 0.194 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccoc1 ZINC000905418887 637804625 /nfs/dbraw/zinc/80/46/25/637804625.db2.gz MJNCZBOSORVZDG-SNVBAGLBSA-N 0 3 228.248 0.297 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CO[C@@H](C2CC2)C1 ZINC000905396762 637807626 /nfs/dbraw/zinc/80/76/26/637807626.db2.gz TZEYDPPYTDKECE-RKDXNWHRSA-N 0 3 200.238 0.420 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000905396760 637808798 /nfs/dbraw/zinc/80/87/98/637808798.db2.gz TZEYDPPYTDKECE-DTWKUNHWSA-N 0 3 200.238 0.420 20 5 BCBDHN C[C@]1(CNCC[N+](=O)[O-])CCCCO1 ZINC000905597627 637858572 /nfs/dbraw/zinc/85/85/72/637858572.db2.gz SIHFEDIMNRLKOG-SECBINFHSA-N 0 3 202.254 0.812 20 5 BCBDHN C[C@@H](O)C[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930267021 639668730 /nfs/dbraw/zinc/66/87/30/639668730.db2.gz FDDRRLOGDINXGP-ZJUUUORDSA-N 0 3 216.281 0.889 20 5 BCBDHN C[C@H](O)C[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930267018 639670162 /nfs/dbraw/zinc/67/01/62/639670162.db2.gz FDDRRLOGDINXGP-UWVGGRQHSA-N 0 3 216.281 0.889 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@H]1[C@@H]1CCCO1 ZINC000930366757 639731309 /nfs/dbraw/zinc/73/13/09/639731309.db2.gz YMLNDMPVVMUDLU-UWVGGRQHSA-N 0 3 214.265 0.907 20 5 BCBDHN C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)N1C ZINC000930579226 639813440 /nfs/dbraw/zinc/81/34/40/639813440.db2.gz DJPJTWBYYOUVDD-DTORHVGOSA-N 0 3 201.270 0.288 20 5 BCBDHN CO[C@@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930628768 639830942 /nfs/dbraw/zinc/83/09/42/639830942.db2.gz OYDUKOXFMNRASP-JGVFFNPUSA-N 0 3 202.254 0.666 20 5 BCBDHN CCO[C@@H]1CCC[C@H]1NCC[N+](=O)[O-] ZINC000930665186 639852759 /nfs/dbraw/zinc/85/27/59/639852759.db2.gz GODVLBNOAMQRTC-RKDXNWHRSA-N 0 3 202.254 0.810 20 5 BCBDHN C[C@H](CO)[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930965545 639993927 /nfs/dbraw/zinc/99/39/27/639993927.db2.gz NFUVTMQEPXBWHA-NXEZZACHSA-N 0 3 216.281 0.746 20 5 BCBDHN C[C@@H]1CN(CC[N+](=O)[O-])C[C@]1(C)CO ZINC000931065045 640053321 /nfs/dbraw/zinc/05/33/21/640053321.db2.gz DZFSHNCPGBYFJR-RKDXNWHRSA-N 0 3 202.254 0.213 20 5 BCBDHN O=[N+]([O-])CCN1CCN(CCCCCO)CC1 ZINC000931492301 640233077 /nfs/dbraw/zinc/23/30/77/640233077.db2.gz LAEVQZXQKZFJGM-UHFFFAOYSA-N 0 3 245.323 0.043 20 5 BCBDHN COC[C@@H](NCC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000931754678 640349479 /nfs/dbraw/zinc/34/94/79/640349479.db2.gz KBBRLLMQSGSAMI-NXEZZACHSA-N 0 3 232.280 0.294 20 5 BCBDHN COC[C@H](NCC[N+](=O)[O-])[C@H]1CCCOC1 ZINC000931754679 640350222 /nfs/dbraw/zinc/35/02/22/640350222.db2.gz KBBRLLMQSGSAMI-UWVGGRQHSA-N 0 3 232.280 0.294 20 5 BCBDHN Cc1c(CNC[C@H](O)CO)cccc1[N+](=O)[O-] ZINC000090283091 643129106 /nfs/dbraw/zinc/12/91/06/643129106.db2.gz QAOBJRJGUMDWSL-JTQLQIEISA-N 0 3 240.259 0.346 20 5 BCBDHN Cc1c(CNC[C@@H](O)CO)cccc1[N+](=O)[O-] ZINC000090283092 643130065 /nfs/dbraw/zinc/13/00/65/643130065.db2.gz QAOBJRJGUMDWSL-SNVBAGLBSA-N 0 3 240.259 0.346 20 5 BCBDHN C[C@H](NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282427 643130777 /nfs/dbraw/zinc/13/07/77/643130777.db2.gz VUFZORXZPQNCPX-GZMMTYOYSA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@@H](O)[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000929594943 646189932 /nfs/dbraw/zinc/18/99/32/646189932.db2.gz KRARSPJDAIKJPF-BDAKNGLRSA-N 0 3 202.254 0.498 20 5 BCBDHN CN(CC[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000929607258 646197033 /nfs/dbraw/zinc/19/70/33/646197033.db2.gz NRHOAPQKRDQXHX-VIFPVBQESA-N 0 3 202.254 0.622 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@@H]2COCC[C@H]21 ZINC000929822514 646337993 /nfs/dbraw/zinc/33/79/93/646337993.db2.gz DPLFLDAJAOHVKT-NXEZZACHSA-N 0 3 214.265 0.764 20 5 BCBDHN CCN1CCN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930084983 646426298 /nfs/dbraw/zinc/42/62/98/646426298.db2.gz FNNKVOYCVKMXLV-VIFPVBQESA-N 0 3 201.270 0.289 20 5 BCBDHN CN1CCC[C@@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000916575116 711873172 /nfs/dbraw/zinc/87/31/72/711873172.db2.gz IPDBQSSBPCQYGB-MRVPVSSYSA-N 0 3 210.237 0.886 20 5 BCBDHN NCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237954489 398201538 /nfs/dbraw/zinc/20/15/38/398201538.db2.gz GGZNYTJGFASQFN-UHFFFAOYSA-N 0 3 235.243 0.438 20 5 BCBDHN CC(C)(N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943171 187271505 /nfs/dbraw/zinc/27/15/05/187271505.db2.gz DIEHDWRNOUJRLA-UHFFFAOYSA-N 0 3 237.259 0.948 20 5 BCBDHN CCN(C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269145 344799621 /nfs/dbraw/zinc/79/96/21/344799621.db2.gz GTNNIPMQVPXOMZ-UHFFFAOYSA-N 0 3 240.267 0.331 20 5 BCBDHN C[C@@H](CCO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000593107025 347859903 /nfs/dbraw/zinc/85/99/03/347859903.db2.gz DQPXHKFYFFAVNN-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CNCCO1 ZINC000594699101 348101991 /nfs/dbraw/zinc/10/19/91/348101991.db2.gz PWUWBBQBIPKITK-QMMMGPOBSA-N 0 3 226.236 0.088 20 5 BCBDHN CC[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594648651 348087714 /nfs/dbraw/zinc/08/77/14/348087714.db2.gz CUDPVNXMYVEMHC-QMMMGPOBSA-N 0 3 248.246 0.980 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])nc1 ZINC000596242971 348485250 /nfs/dbraw/zinc/48/52/50/348485250.db2.gz HPPWBEFRMAJCPQ-VIFPVBQESA-N 0 3 240.263 0.324 20 5 BCBDHN CN(C)CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000572158443 323555032 /nfs/dbraw/zinc/55/50/32/323555032.db2.gz RSJFYJRGVZZZKY-UHFFFAOYSA-N 0 3 229.211 0.457 20 5 BCBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cn2)CCN1 ZINC000212740944 358213382 /nfs/dbraw/zinc/21/33/82/358213382.db2.gz XHMNVHKXESDEKP-UHFFFAOYSA-N 0 3 237.263 0.573 20 5 BCBDHN CC(C)(N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000040922665 373921193 /nfs/dbraw/zinc/92/11/93/373921193.db2.gz LEWVITRRCBQQTJ-UHFFFAOYSA-N 0 3 237.259 0.948 20 5 BCBDHN CN(C)CCN(C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000310196589 384095875 /nfs/dbraw/zinc/09/58/75/384095875.db2.gz AOSIDHJAHVKORT-UHFFFAOYSA-N 0 3 239.279 0.570 20 5 BCBDHN C[C@H](CC(N)=O)NCc1ccccc1[N+](=O)[O-] ZINC000135715433 384302218 /nfs/dbraw/zinc/30/22/18/384302218.db2.gz NFVMEIYDOFIXAH-MRVPVSSYSA-N 0 3 237.259 0.948 20 5 BCBDHN C[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237401103 386785024 /nfs/dbraw/zinc/78/50/24/386785024.db2.gz HFPWCWPSQGHRQQ-QMMMGPOBSA-N 0 3 237.259 0.601 20 5 BCBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])cn1 ZINC000273672111 388628613 /nfs/dbraw/zinc/62/86/13/388628613.db2.gz XVOUEGACALJTBY-UHFFFAOYSA-N 0 3 225.252 0.383 20 5 BCBDHN C[C@@]1(O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177985213 398103277 /nfs/dbraw/zinc/10/32/77/398103277.db2.gz QTYHHQIMXTXJNR-SNVBAGLBSA-N 0 3 240.263 0.248 20 5 BCBDHN CN1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273611575 173019036 /nfs/dbraw/zinc/01/90/36/173019036.db2.gz MAJOYTOVYHSRDC-UHFFFAOYSA-N 0 3 237.263 0.527 20 5 BCBDHN COCCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174834297 174217054 /nfs/dbraw/zinc/21/70/54/174217054.db2.gz TZFFQYCECKINAT-UHFFFAOYSA-N 0 3 242.279 0.760 20 5 BCBDHN CCc1cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]1 ZINC000813108864 582586230 /nfs/dbraw/zinc/58/62/30/582586230.db2.gz MIISLRBYWHGJRG-LURJTMIESA-N 0 3 227.220 0.794 20 5 BCBDHN CCc1cc(C(=O)OCC(C)[N+](=O)[O-])n[nH]1 ZINC000813108866 582586538 /nfs/dbraw/zinc/58/65/38/582586538.db2.gz MIISLRBYWHGJRG-ZCFIWIBFSA-N 0 3 227.220 0.794 20 5 BCBDHN CC(COC(=O)Cc1ccn(C)n1)[N+](=O)[O-] ZINC000813110775 582589058 /nfs/dbraw/zinc/58/90/58/582589058.db2.gz IYTZRUVORFTUNQ-ZETCQYMHSA-N 0 3 227.220 0.171 20 5 BCBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C ZINC000813102234 582580148 /nfs/dbraw/zinc/58/01/48/582580148.db2.gz CGFNAUUPVMHAHT-DTWKUNHWSA-N 0 3 232.280 0.781 20 5 BCBDHN Cc1cc(OCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813103344 582580230 /nfs/dbraw/zinc/58/02/30/582580230.db2.gz OUDXLZPMEWSQEP-LURJTMIESA-N 0 3 244.203 0.570 20 5 BCBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813105360 582581563 /nfs/dbraw/zinc/58/15/63/582581563.db2.gz XWYJFZDUPCMICG-MRVPVSSYSA-N 0 3 247.247 0.390 20 5 BCBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCOCC1 ZINC000813105361 582581624 /nfs/dbraw/zinc/58/16/24/582581624.db2.gz XWYJFZDUPCMICG-QMMMGPOBSA-N 0 3 247.247 0.390 20 5 BCBDHN CCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115030 582591948 /nfs/dbraw/zinc/59/19/48/582591948.db2.gz JFJWDFQHBFSSHA-SSDOTTSWSA-N 0 3 205.210 0.621 20 5 BCBDHN CCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813115031 582592141 /nfs/dbraw/zinc/59/21/41/582592141.db2.gz JFJWDFQHBFSSHA-ZETCQYMHSA-N 0 3 205.210 0.621 20 5 BCBDHN CC(COC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[N+](=O)[O-] ZINC000838965736 585082649 /nfs/dbraw/zinc/08/26/49/585082649.db2.gz YMXRAEJHIXPXPQ-RBXMUDONSA-N 0 3 241.243 0.810 20 5 BCBDHN C[C@@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644943 585204970 /nfs/dbraw/zinc/20/49/70/585204970.db2.gz FYFRKUWEWHEMOB-LDYMZIIASA-N 0 3 240.259 0.599 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3C[C@H]32)n1 ZINC000761101491 585409511 /nfs/dbraw/zinc/40/95/11/585409511.db2.gz YRGNZZCBDJCIAD-DTWKUNHWSA-N 0 3 222.248 0.886 20 5 BCBDHN CN1CCN(CC[N+](=O)[O-])C(C)(C)C1 ZINC000787728470 585914891 /nfs/dbraw/zinc/91/48/91/585914891.db2.gz FRFOSGTVXVYDSC-UHFFFAOYSA-N 0 3 201.270 0.289 20 5 BCBDHN CC(COC(=O)CC1OCCCO1)[N+](=O)[O-] ZINC000813100100 586591804 /nfs/dbraw/zinc/59/18/04/586591804.db2.gz MKJAFCKUBXIZRZ-ZETCQYMHSA-N 0 3 233.220 0.348 20 5 BCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])n(C)n1 ZINC000813102106 586591875 /nfs/dbraw/zinc/59/18/75/586591875.db2.gz NWMVQEWCNKOUDF-ZETCQYMHSA-N 0 3 227.220 0.551 20 5 BCBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813102603 586591913 /nfs/dbraw/zinc/59/19/13/586591913.db2.gz SUUDPJQFPGZWFO-ZETCQYMHSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000813102622 586592180 /nfs/dbraw/zinc/59/21/80/586592180.db2.gz TZDQBJUINXOTTK-RXMQYKEDSA-N 0 3 242.187 0.201 20 5 BCBDHN CO[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103782 586592304 /nfs/dbraw/zinc/59/23/04/586592304.db2.gz TVUAWHDNNNTNCO-RNFRBKRXSA-N 0 3 205.210 0.620 20 5 BCBDHN Cc1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103805 586592328 /nfs/dbraw/zinc/59/23/28/586592328.db2.gz UJMRGRJGUXFJHJ-LURJTMIESA-N 0 3 227.220 0.551 20 5 BCBDHN COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103695 586592460 /nfs/dbraw/zinc/59/24/60/586592460.db2.gz FKIUOUQONWMCNJ-XVMARJQXSA-N 0 3 231.204 0.004 20 5 BCBDHN Cc1noc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813105541 586592468 /nfs/dbraw/zinc/59/24/68/586592468.db2.gz OFLZGKSHOPJONC-LURJTMIESA-N 0 3 243.219 0.519 20 5 BCBDHN CC(COC(=O)COCC1CC1)[N+](=O)[O-] ZINC000813105661 586592568 /nfs/dbraw/zinc/59/25/68/586592568.db2.gz RIYCGYMFFAUAPV-ZETCQYMHSA-N 0 3 217.221 0.621 20 5 BCBDHN CCc1ncncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105997 586592667 /nfs/dbraw/zinc/59/26/67/586592667.db2.gz XGBXLOADWGODNS-ZETCQYMHSA-N 0 3 239.231 0.861 20 5 BCBDHN CCc1ncncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105996 586592762 /nfs/dbraw/zinc/59/27/62/586592762.db2.gz XGBXLOADWGODNS-SSDOTTSWSA-N 0 3 239.231 0.861 20 5 BCBDHN CC(COC(=O)CN1CCSC1=O)[N+](=O)[O-] ZINC000813107528 586592764 /nfs/dbraw/zinc/59/27/64/586592764.db2.gz RXFFVXZNNNSGPS-ZCFIWIBFSA-N 0 3 248.260 0.364 20 5 BCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000813107193 586592992 /nfs/dbraw/zinc/59/29/92/586592992.db2.gz MIASQQWNFITGFE-ZETCQYMHSA-N 0 3 227.220 0.551 20 5 BCBDHN COC(=O)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112397 586593041 /nfs/dbraw/zinc/59/30/41/586593041.db2.gz PSMAZIBPLKAXSU-RQJHMYQMSA-N 0 3 233.220 0.394 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115203 586593579 /nfs/dbraw/zinc/59/35/79/586593579.db2.gz MSLCTDXRVSGRFB-SVRRBLITSA-N 0 3 217.221 0.620 20 5 BCBDHN Cc1ncoc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111702 586593587 /nfs/dbraw/zinc/59/35/87/586593587.db2.gz KJKDLZIHEDUXQY-YFKPBYRVSA-N 0 3 214.177 0.805 20 5 BCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(=O)[nH]1 ZINC000813110593 586593714 /nfs/dbraw/zinc/59/37/14/586593714.db2.gz DZSUMWNQWZYGMZ-ZETCQYMHSA-N 0 3 240.215 0.918 20 5 BCBDHN CC(COC(=O)CCCCNC(N)=O)[N+](=O)[O-] ZINC000813110316 586593768 /nfs/dbraw/zinc/59/37/68/586593768.db2.gz XHTOHWIFLGEEQR-ZETCQYMHSA-N 0 3 247.251 0.033 20 5 BCBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115201 586594360 /nfs/dbraw/zinc/59/43/60/586594360.db2.gz MSLCTDXRVSGRFB-HTRCEHHLSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)c1cc2n(n1)CCO2)[N+](=O)[O-] ZINC000813115014 586594393 /nfs/dbraw/zinc/59/43/93/586594393.db2.gz IYACOINRFNIEHV-LURJTMIESA-N 0 3 241.203 0.098 20 5 BCBDHN CC(COC(=O)CN1CCCCC1=O)[N+](=O)[O-] ZINC000816091114 586707531 /nfs/dbraw/zinc/70/75/31/586707531.db2.gz LNEBLORUKFPGKH-MRVPVSSYSA-N 0 3 244.247 0.207 20 5 BCBDHN CC(COC(=O)/C=C/[C@@H]1CCCO1)[N+](=O)[O-] ZINC000821166811 587098730 /nfs/dbraw/zinc/09/87/30/587098730.db2.gz HNTGZXZQBZJUOA-VJIGKBMESA-N 0 3 229.232 0.930 20 5 BCBDHN CC(COC(=O)[C@@H]1CC1(F)F)[N+](=O)[O-] ZINC000835455015 587803166 /nfs/dbraw/zinc/80/31/66/587803166.db2.gz MAOUAVHNPQUJQO-UHNVWZDZSA-N 0 3 209.148 0.850 20 5 BCBDHN COC/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000845577605 588233855 /nfs/dbraw/zinc/23/38/55/588233855.db2.gz XNDRZDSKYLHENE-RXLGXGPVSA-N 0 3 217.221 0.788 20 5 BCBDHN CC(COC(=O)c1cnc2n1CCC2)[N+](=O)[O-] ZINC000851036430 588585442 /nfs/dbraw/zinc/58/54/42/588585442.db2.gz HLEGECXFXPHPDX-SSDOTTSWSA-N 0 3 239.231 0.651 20 5 BCBDHN COC(=O)[C@]12CCC[C@H]1N(CC[N+](=O)[O-])CC2 ZINC000931621731 635132508 /nfs/dbraw/zinc/13/25/08/635132508.db2.gz DQXBGLZQOFOBAZ-KOLCDFICSA-N 0 3 242.275 0.681 20 5 BCBDHN O=[N+]([O-])CCNCCc1cn2c(n1)CCCC2 ZINC000905035526 637556023 /nfs/dbraw/zinc/55/60/23/637556023.db2.gz FUDBLNMPZUECSW-UHFFFAOYSA-N 0 3 238.291 0.628 20 5 BCBDHN O=C1Nc2ccccc2[C@@H]1CCNCC[N+](=O)[O-] ZINC000905065514 637598509 /nfs/dbraw/zinc/59/85/09/637598509.db2.gz PBYVVMGDRXATCZ-JTQLQIEISA-N 0 3 249.270 0.979 20 5 BCBDHN CC[S@](=O)[C@@H]1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905153481 637637326 /nfs/dbraw/zinc/63/73/26/637637326.db2.gz FMSAUELFMIYQHK-LYGAQUJYSA-N 0 3 248.348 0.933 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCn2ccnc2C1 ZINC000905218761 637700258 /nfs/dbraw/zinc/70/02/58/637700258.db2.gz OXLQFNWZIRJHBE-MRVPVSSYSA-N 0 3 210.237 0.064 20 5 BCBDHN CC(C)CC[C@H](CO)NCC[N+](=O)[O-] ZINC000905389346 637785951 /nfs/dbraw/zinc/78/59/51/637785951.db2.gz JWVADJDYUIZSSG-SECBINFHSA-N 0 3 204.270 0.650 20 5 BCBDHN CC(C)[C@@H](O)C1(CNCC[N+](=O)[O-])CC1 ZINC000905363922 637788092 /nfs/dbraw/zinc/78/80/92/637788092.db2.gz AASGKIHWHNOIQJ-SECBINFHSA-N 0 3 216.281 0.650 20 5 BCBDHN CC(C)[C@H](O)C1(CNCC[N+](=O)[O-])CC1 ZINC000905363923 637788324 /nfs/dbraw/zinc/78/83/24/637788324.db2.gz AASGKIHWHNOIQJ-VIFPVBQESA-N 0 3 216.281 0.650 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CC2(CCC2)CO1 ZINC000905471523 637830637 /nfs/dbraw/zinc/83/06/37/637830637.db2.gz CBCNKJGJPGYHMC-SECBINFHSA-N 0 3 214.265 0.812 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@H]1[C@H]1CCCO1 ZINC000930366758 639733373 /nfs/dbraw/zinc/73/33/73/639733373.db2.gz YMLNDMPVVMUDLU-VHSXEESVSA-N 0 3 214.265 0.907 20 5 BCBDHN COC[C@]1(C)CCN(CC[N+](=O)[O-])C1 ZINC000930603556 639817563 /nfs/dbraw/zinc/81/75/63/639817563.db2.gz JMJQPAMNPLOGGK-SECBINFHSA-N 0 3 202.254 0.622 20 5 BCBDHN CC[C@@H]1CN(CC)CCN1CC[N+](=O)[O-] ZINC000930653779 639846320 /nfs/dbraw/zinc/84/63/20/639846320.db2.gz ZNLRBNREYSWVFH-SNVBAGLBSA-N 0 3 215.297 0.679 20 5 BCBDHN O=[N+]([O-])CCNC1(CO)CCSCC1 ZINC000930698142 639865660 /nfs/dbraw/zinc/86/56/60/639865660.db2.gz WXFBRMPCXCVLLS-UHFFFAOYSA-N 0 3 220.294 0.111 20 5 BCBDHN CO[C@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930700129 639865949 /nfs/dbraw/zinc/86/59/49/639865949.db2.gz PPGBKICPNLLMGA-IUCAKERBSA-N 0 3 214.265 0.810 20 5 BCBDHN COC1([C@@H](C)NCC[N+](=O)[O-])CCC1 ZINC000930723282 639880328 /nfs/dbraw/zinc/88/03/28/639880328.db2.gz XLFIIFVZWSKQKE-MRVPVSSYSA-N 0 3 202.254 0.810 20 5 BCBDHN C[C@@H]1[C@@H](CO)CCCN1CC[N+](=O)[O-] ZINC000930740857 639889924 /nfs/dbraw/zinc/88/99/24/639889924.db2.gz WSYCKJYQTNRIQP-RKDXNWHRSA-N 0 3 202.254 0.356 20 5 BCBDHN O=[N+]([O-])CCN1CCCCC[C@H]1CO ZINC000930866575 639958334 /nfs/dbraw/zinc/95/83/34/639958334.db2.gz DANZLQHFASKMPB-VIFPVBQESA-N 0 3 202.254 0.500 20 5 BCBDHN COCCN1CCN(CC[N+](=O)[O-])C(C)(C)C1 ZINC000930863660 639955992 /nfs/dbraw/zinc/95/59/92/639955992.db2.gz PQNDYHGPWWQGGB-UHFFFAOYSA-N 0 3 245.323 0.306 20 5 BCBDHN COC(=O)[C@@H]1CN(CC[N+](=O)[O-])C[C@H]1C1CC1 ZINC000930866017 639959288 /nfs/dbraw/zinc/95/92/88/639959288.db2.gz GREMZTLSAGSDQH-VHSXEESVSA-N 0 3 242.275 0.394 20 5 BCBDHN C[C@@H](CO)[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930965546 639993275 /nfs/dbraw/zinc/99/32/75/639993275.db2.gz NFUVTMQEPXBWHA-UWVGGRQHSA-N 0 3 216.281 0.746 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000931021735 640026082 /nfs/dbraw/zinc/02/60/82/640026082.db2.gz KFXFDCQCQUDQDS-SFYZADRCSA-N 0 3 200.238 0.156 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931504653 640237346 /nfs/dbraw/zinc/23/73/46/640237346.db2.gz JJHOAWUFGPDXDM-VWYCJHECSA-N 0 3 228.292 0.889 20 5 BCBDHN COC[C@H](NCC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000931754681 640349621 /nfs/dbraw/zinc/34/96/21/640349621.db2.gz KBBRLLMQSGSAMI-ZJUUUORDSA-N 0 3 232.280 0.294 20 5 BCBDHN O=[N+]([O-])CCNCC1(C2(O)CCC2)CCC1 ZINC000931756974 640353476 /nfs/dbraw/zinc/35/34/76/640353476.db2.gz MJHXBMCJUKJVSJ-UHFFFAOYSA-N 0 3 228.292 0.938 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCOC12CCCC2 ZINC000934381139 641135650 /nfs/dbraw/zinc/13/56/50/641135650.db2.gz MVQFCGONXNAFKM-SECBINFHSA-N 0 3 214.265 0.954 20 5 BCBDHN CN1CCC[C@@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000916832541 641979762 /nfs/dbraw/zinc/97/97/62/641979762.db2.gz RGRCEKSXGIWWSG-SECBINFHSA-N 0 3 237.259 0.851 20 5 BCBDHN C[C@@H](NC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282197 643126736 /nfs/dbraw/zinc/12/67/36/643126736.db2.gz RTONMFMKKNKTRV-LDYMZIIASA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@@H](NC[C@@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282428 643130081 /nfs/dbraw/zinc/13/00/81/643130081.db2.gz VUFZORXZPQNCPX-LDYMZIIASA-N 0 3 240.259 0.599 20 5 BCBDHN COCCN(CC[N+](=O)[O-])CC(C)C ZINC000929275680 646054810 /nfs/dbraw/zinc/05/48/10/646054810.db2.gz XULVVHMLPCNFOW-UHFFFAOYSA-N 0 3 204.270 0.868 20 5 BCBDHN CC[C@H](O)[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000929686365 646242269 /nfs/dbraw/zinc/24/22/69/646242269.db2.gz UBMPWKKBEMAVFC-UWVGGRQHSA-N 0 3 216.281 0.889 20 5 BCBDHN CC[C@@H](O)[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000929686366 646242749 /nfs/dbraw/zinc/24/27/49/646242749.db2.gz UBMPWKKBEMAVFC-VHSXEESVSA-N 0 3 216.281 0.889 20 5 BCBDHN CC[C@](C)(CC(=O)OC)NCC[N+](=O)[O-] ZINC000930029440 646403106 /nfs/dbraw/zinc/40/31/06/646403106.db2.gz VNNTZLDQYYSJCS-SECBINFHSA-N 0 3 218.253 0.585 20 5 BCBDHN COC(=O)[C@@H]1CCCC[C@]1(C)NCC[N+](=O)[O-] ZINC000930104639 646436714 /nfs/dbraw/zinc/43/67/14/646436714.db2.gz CQJQQCRSELSTOL-ONGXEEELSA-N 0 3 244.291 0.975 20 5 BCBDHN C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)CN1C ZINC000930163684 646468262 /nfs/dbraw/zinc/46/82/62/646468262.db2.gz VAEZFCVXOYJVDK-BDAKNGLRSA-N 0 3 201.270 0.288 20 5 BCBDHN C[C@@H]1[C@H](C)N(CC[N+](=O)[O-])CCN1C ZINC000930176912 646479540 /nfs/dbraw/zinc/47/95/40/646479540.db2.gz GYDLCICOQMWLOJ-BDAKNGLRSA-N 0 3 201.270 0.288 20 5 BCBDHN NC(=O)C1(NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152428385 344559328 /nfs/dbraw/zinc/55/93/28/344559328.db2.gz HETWHMUQKCZLKQ-UHFFFAOYSA-N 0 3 249.270 0.745 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000589101421 346664625 /nfs/dbraw/zinc/66/46/25/346664625.db2.gz CVWSTYLZQAGCLC-JTQLQIEISA-N 0 3 239.275 0.929 20 5 BCBDHN C[C@H](CCO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000593107711 347859930 /nfs/dbraw/zinc/85/99/30/347859930.db2.gz NEMSPYNIRFWSBV-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@H](CCO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000593107024 347859796 /nfs/dbraw/zinc/85/97/96/347859796.db2.gz DQPXHKFYFFAVNN-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN NC(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000048036981 181270910 /nfs/dbraw/zinc/27/09/10/181270910.db2.gz NUHSMJVVIVHCHX-SNVBAGLBSA-N 0 3 249.270 0.902 20 5 BCBDHN NC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048041295 181282555 /nfs/dbraw/zinc/28/25/55/181282555.db2.gz WIUJSRAIZBMEQS-JTQLQIEISA-N 0 3 249.270 0.902 20 5 BCBDHN Cc1c(CNCCC(N)=O)cccc1[N+](=O)[O-] ZINC000036747213 361394067 /nfs/dbraw/zinc/39/40/67/361394067.db2.gz UVSSQVMLSAXKMM-UHFFFAOYSA-N 0 3 237.259 0.868 20 5 BCBDHN NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676240 181351921 /nfs/dbraw/zinc/35/19/21/181351921.db2.gz NAQSLHNBKLVKEG-UHFFFAOYSA-N 0 3 223.232 0.212 20 5 BCBDHN COc1cc([N+](=O)[O-])cn(CCN(C)C)c1=O ZINC000603360981 371889032 /nfs/dbraw/zinc/88/90/32/371889032.db2.gz CPCUZBMWKZPQRO-UHFFFAOYSA-N 0 3 241.247 0.327 20 5 BCBDHN CC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015958 383892064 /nfs/dbraw/zinc/89/20/64/383892064.db2.gz RDPNPPMDZXFNTG-SECBINFHSA-N 0 3 237.259 0.948 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CCCC2)n1 ZINC000176189075 384449910 /nfs/dbraw/zinc/44/99/10/384449910.db2.gz AYIAUGSAUPSIRP-UHFFFAOYSA-N 0 3 210.237 0.887 20 5 BCBDHN C[C@H](O)CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176266776 384510277 /nfs/dbraw/zinc/51/02/77/384510277.db2.gz RFZVEDUYZCWIGU-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC(C)(C)O ZINC000176246080 384494932 /nfs/dbraw/zinc/49/49/32/384494932.db2.gz NZNINHNLCBNQKZ-UHFFFAOYSA-N 0 3 242.279 0.494 20 5 BCBDHN O=C1CC[C@H](NCc2cccc([N+](=O)[O-])c2)CN1 ZINC000104354021 384680265 /nfs/dbraw/zinc/68/02/65/384680265.db2.gz JNCAWIQCYWVCBJ-JTQLQIEISA-N 0 3 249.270 0.963 20 5 BCBDHN CCN(C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000054127866 387347180 /nfs/dbraw/zinc/34/71/80/387347180.db2.gz KGGWXEUQFFZGQK-UHFFFAOYSA-N 0 3 225.252 0.748 20 5 BCBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000192519264 387492906 /nfs/dbraw/zinc/49/29/06/387492906.db2.gz MQWXICJLYBTJMR-UHFFFAOYSA-N 0 3 243.288 0.948 20 5 BCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N(C)C ZINC000298861668 388671564 /nfs/dbraw/zinc/67/15/64/388671564.db2.gz DAJCCDTWPPMLLH-SSDOTTSWSA-N 0 3 240.263 0.603 20 5 BCBDHN CN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534724 388677667 /nfs/dbraw/zinc/67/76/67/388677667.db2.gz YNGHNRYAVFOIOJ-UHFFFAOYSA-N 0 3 240.259 0.898 20 5 BCBDHN C[C@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000284900671 388832929 /nfs/dbraw/zinc/83/29/29/388832929.db2.gz UUPMSYKIEPKDQO-MRVPVSSYSA-N 0 3 228.252 0.104 20 5 BCBDHN C[C@@H]1CNCCN1c1ncccc1[N+](=O)[O-] ZINC000054375203 132364225 /nfs/dbraw/zinc/36/42/25/132364225.db2.gz KGFDLDPGSMDWRQ-MRVPVSSYSA-N 0 3 222.248 0.788 20 5 BCBDHN CCN(CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000267032801 135151129 /nfs/dbraw/zinc/15/11/29/135151129.db2.gz NCVVRWWUTJDLDL-UHFFFAOYSA-N 0 3 242.279 0.496 20 5 BCBDHN C[C@@H](O)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000177027008 397840455 /nfs/dbraw/zinc/84/04/55/397840455.db2.gz ZZKDEHMJCSUTDE-MRVPVSSYSA-N 0 3 228.252 0.104 20 5 BCBDHN COC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115611 586594430 /nfs/dbraw/zinc/59/44/30/586594430.db2.gz WIJXMLMVONNTAV-LURJTMIESA-N 0 3 205.210 0.620 20 5 BCBDHN CC(COC(=O)COC1CC1)[N+](=O)[O-] ZINC000893047780 583037568 /nfs/dbraw/zinc/03/75/68/583037568.db2.gz OHXNJZQEJYYSAS-ZCFIWIBFSA-N 0 3 203.194 0.374 20 5 BCBDHN CN(CC1CN(C)C1)Cn1nccc1[N+](=O)[O-] ZINC000853553556 588748641 /nfs/dbraw/zinc/74/86/41/588748641.db2.gz QAAOHNPMWQHYGN-UHFFFAOYSA-N 0 3 239.279 0.242 20 5 BCBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C ZINC000813102233 582579946 /nfs/dbraw/zinc/57/99/46/582579946.db2.gz CGFNAUUPVMHAHT-BDAKNGLRSA-N 0 3 232.280 0.781 20 5 BCBDHN CC(COC(=O)C1=CCOCC1)[N+](=O)[O-] ZINC000813102261 582580071 /nfs/dbraw/zinc/58/00/71/582580071.db2.gz CVVHMISKQNHNJL-ZETCQYMHSA-N 0 3 215.205 0.542 20 5 BCBDHN CC(COC(=O)[C@@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000813112169 582589343 /nfs/dbraw/zinc/58/93/43/582589343.db2.gz CWMOMKFAYRYZIT-YUMQZZPRSA-N 0 3 241.247 0.732 20 5 BCBDHN CC(COC(=O)CCc1cncnc1)[N+](=O)[O-] ZINC000797279236 583921107 /nfs/dbraw/zinc/92/11/07/583921107.db2.gz JVUCPAXNEQDSPC-MRVPVSSYSA-N 0 3 239.231 0.618 20 5 BCBDHN O=[N+]([O-])CCNCCc1ccc2c(c1)OCO2 ZINC000899860164 584242389 /nfs/dbraw/zinc/24/23/89/584242389.db2.gz ISAFTZNFQMFPSF-UHFFFAOYSA-N 0 3 238.243 0.824 20 5 BCBDHN CC(C)[C@@H](CNCC[N+](=O)[O-])N1CCOCC1 ZINC000899864371 584244380 /nfs/dbraw/zinc/24/43/80/584244380.db2.gz IIHRJGRVTFTJPU-LLVKDONJSA-N 0 3 245.323 0.210 20 5 BCBDHN CC(C)CN1CCN(CC[N+](=O)[O-])CC1 ZINC000791052813 585972891 /nfs/dbraw/zinc/97/28/91/585972891.db2.gz DTWPKHZPICYDPP-UHFFFAOYSA-N 0 3 215.297 0.537 20 5 BCBDHN C[C@H](O)C[C@H]1CCCN1CC[N+](=O)[O-] ZINC000791053761 585973210 /nfs/dbraw/zinc/97/32/10/585973210.db2.gz GHENQUCUQWOIKI-DTWKUNHWSA-N 0 3 202.254 0.498 20 5 BCBDHN CC1([C@H]2CCCN(CC[N+](=O)[O-])C2)OCCO1 ZINC000791053770 585973459 /nfs/dbraw/zinc/97/34/59/585973459.db2.gz GKDKVGHXMFTXIQ-JTQLQIEISA-N 0 3 244.291 0.738 20 5 BCBDHN CC(COC(=O)CCc1ccn(C)n1)[N+](=O)[O-] ZINC000797281125 586124996 /nfs/dbraw/zinc/12/49/96/586124996.db2.gz QKLIBQZKKTXXFW-MRVPVSSYSA-N 0 3 241.247 0.561 20 5 BCBDHN CC(COC(=O)Cc1cccnc1)[N+](=O)[O-] ZINC000813099708 586591618 /nfs/dbraw/zinc/59/16/18/586591618.db2.gz AVYJRHFCAHPHEF-QMMMGPOBSA-N 0 3 224.216 0.833 20 5 BCBDHN COCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107018 586591778 /nfs/dbraw/zinc/59/17/78/586591778.db2.gz KIOZRUHBLYALSN-ZETCQYMHSA-N 0 3 205.210 0.621 20 5 BCBDHN CC(COC(=O)c1ccn(C)c1)[N+](=O)[O-] ZINC000813104328 586591845 /nfs/dbraw/zinc/59/18/45/586591845.db2.gz MODTVLUBPOPJHO-ZETCQYMHSA-N 0 3 212.205 0.847 20 5 BCBDHN CC(COC(=O)Cn1cc(Cl)cn1)[N+](=O)[O-] ZINC000813101776 586592230 /nfs/dbraw/zinc/59/22/30/586592230.db2.gz IRCOOZLRMSLCQB-LURJTMIESA-N 0 3 247.638 0.745 20 5 BCBDHN Cc1noc(CCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813105542 586592454 /nfs/dbraw/zinc/59/24/54/586592454.db2.gz OFLZGKSHOPJONC-ZCFIWIBFSA-N 0 3 243.219 0.519 20 5 BCBDHN CC(COC(=O)CCn1cccn1)[N+](=O)[O-] ZINC000813104112 586592605 /nfs/dbraw/zinc/59/26/05/586592605.db2.gz KBRXFYAFKGVVCJ-MRVPVSSYSA-N 0 3 227.220 0.482 20 5 BCBDHN CC(COC(=O)C[C@H]1CCOC1)[N+](=O)[O-] ZINC000813107606 586592802 /nfs/dbraw/zinc/59/28/02/586592802.db2.gz OZGMNUKEYFSLTE-HTQZYQBOSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)COC(F)F)[N+](=O)[O-] ZINC000813112519 586593071 /nfs/dbraw/zinc/59/30/71/586593071.db2.gz HMUFHJFZNULAFI-SCSAIBSYSA-N 0 3 213.136 0.434 20 5 BCBDHN CC(COC(=O)c1cccnc1)[N+](=O)[O-] ZINC000813110201 586593077 /nfs/dbraw/zinc/59/30/77/586593077.db2.gz URFXGWQUPVIHNW-SSDOTTSWSA-N 0 3 210.189 0.904 20 5 BCBDHN CCO[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108721 586593099 /nfs/dbraw/zinc/59/30/99/586593099.db2.gz LEYRIVNEVMQVBF-BIIVOSGPSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)[C@@]1(C)CCCO1)[N+](=O)[O-] ZINC000813109204 586593161 /nfs/dbraw/zinc/59/31/61/586593161.db2.gz GRTSXVFCMXWLCB-IONNQARKSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)C1CCC(=O)CC1)[N+](=O)[O-] ZINC000813111336 586593499 /nfs/dbraw/zinc/59/34/99/586593499.db2.gz RIWMPROBTLTKDY-ZETCQYMHSA-N 0 3 229.232 0.954 20 5 BCBDHN COC(=O)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112395 586593617 /nfs/dbraw/zinc/59/36/17/586593617.db2.gz PSMAZIBPLKAXSU-NKWVEPMBSA-N 0 3 233.220 0.394 20 5 BCBDHN CC(COC(=O)C1=COCCC1)[N+](=O)[O-] ZINC000813112410 586593708 /nfs/dbraw/zinc/59/37/08/586593708.db2.gz GOSBQVXJPFCZTG-SSDOTTSWSA-N 0 3 215.205 0.889 20 5 BCBDHN CCC(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111801 586593736 /nfs/dbraw/zinc/59/37/36/586593736.db2.gz XOBCNTOJEQQDLQ-BQBZGAKWSA-N 0 3 232.236 0.110 20 5 BCBDHN CC(COC(=O)/C=C/c1cnn(C)c1)[N+](=O)[O-] ZINC000813112446 586593796 /nfs/dbraw/zinc/59/37/96/586593796.db2.gz QAMCRPGUCMQEDZ-MPJRPATESA-N 0 3 239.231 0.642 20 5 BCBDHN CCOCCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113565 586593800 /nfs/dbraw/zinc/59/38/00/586593800.db2.gz GGPVOPMREPSGMF-RKDXNWHRSA-N 0 3 249.263 0.636 20 5 BCBDHN CC(COC(=O)[C@]1(C)CCOC1)[N+](=O)[O-] ZINC000813113445 586593922 /nfs/dbraw/zinc/59/39/22/586593922.db2.gz PYRMEVRZZMKBCE-IONNQARKSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)Cc1ccc(F)cn1)[N+](=O)[O-] ZINC000813113410 586593928 /nfs/dbraw/zinc/59/39/28/586593928.db2.gz DIPQEHJQWPGVGJ-SSDOTTSWSA-N 0 3 242.206 0.972 20 5 BCBDHN CC(COC(=O)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813113292 586594050 /nfs/dbraw/zinc/59/40/50/586594050.db2.gz PCZHRGUIKFKCHH-RQJHMYQMSA-N 0 3 219.262 0.948 20 5 BCBDHN Cc1[nH]nc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813115262 586594356 /nfs/dbraw/zinc/59/43/56/586594356.db2.gz NWXAFUHEEBOVKE-RXMQYKEDSA-N 0 3 227.220 0.849 20 5 BCBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842802360 588064917 /nfs/dbraw/zinc/06/49/17/588064917.db2.gz WPIHSJZMYNHDHJ-LURJTMIESA-N 0 3 203.194 0.374 20 5 BCBDHN CC(COC(=O)c1cn2c(n1)CCC2)[N+](=O)[O-] ZINC000842802404 588064963 /nfs/dbraw/zinc/06/49/63/588064963.db2.gz YCUDUFGAJGLLDM-SSDOTTSWSA-N 0 3 239.231 0.651 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1CCOC1 ZINC000851036257 588585565 /nfs/dbraw/zinc/58/55/65/588585565.db2.gz GBMQHTYTDAVCCB-YIZRAAEISA-N 0 3 247.247 0.246 20 5 BCBDHN Cc1nocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860776485 589119247 /nfs/dbraw/zinc/11/92/47/589119247.db2.gz FRHSKDLLHKSOQX-RXMQYKEDSA-N 0 3 214.177 0.805 20 5 BCBDHN Cc1nocc1C(=O)OCC(C)[N+](=O)[O-] ZINC000860776488 589119351 /nfs/dbraw/zinc/11/93/51/589119351.db2.gz FRHSKDLLHKSOQX-YFKPBYRVSA-N 0 3 214.177 0.805 20 5 BCBDHN CC(COC(=O)c1cn(C2CC2)nn1)[N+](=O)[O-] ZINC000860776301 589119488 /nfs/dbraw/zinc/11/94/88/589119488.db2.gz DMTXWCCDFWUGIB-ZCFIWIBFSA-N 0 3 240.219 0.435 20 5 BCBDHN CC(COC(=O)c1nn(C)cc1Cl)[N+](=O)[O-] ZINC000860777692 589119522 /nfs/dbraw/zinc/11/95/22/589119522.db2.gz SWDQJBGPAIDSPA-YFKPBYRVSA-N 0 3 247.638 0.896 20 5 BCBDHN CC(C)(N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642422 589386950 /nfs/dbraw/zinc/38/69/50/589386950.db2.gz OLGSYDQZPYTOJH-UHFFFAOYSA-N 0 3 227.268 0.527 20 5 BCBDHN CC[C@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642862 589387185 /nfs/dbraw/zinc/38/71/85/589387185.db2.gz YLSAXZNZHCVKMD-ZETCQYMHSA-N 0 3 227.268 0.743 20 5 BCBDHN CC(C)[C@@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642863 589387342 /nfs/dbraw/zinc/38/73/42/589387342.db2.gz YMVHWZQEFJWHIM-SECBINFHSA-N 0 3 241.295 0.989 20 5 BCBDHN CC(=O)N1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377674 589661614 /nfs/dbraw/zinc/66/16/14/589661614.db2.gz RZHMETBRXBBEMZ-IONNQARKSA-N 0 3 244.247 0.206 20 5 BCBDHN C[C@@H]1C[C@H](CO)CN(CC[N+](=O)[O-])C1 ZINC000930751398 634089493 /nfs/dbraw/zinc/08/94/93/634089493.db2.gz ZQVKGQVLVMBNSW-BDAKNGLRSA-N 0 3 202.254 0.213 20 5 BCBDHN O=C1Nc2ccccc2[C@H]1CCNCC[N+](=O)[O-] ZINC000905065515 637600125 /nfs/dbraw/zinc/60/01/25/637600125.db2.gz PBYVVMGDRXATCZ-SNVBAGLBSA-N 0 3 249.270 0.979 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCc2c[nH]nc2C1 ZINC000905158549 637638349 /nfs/dbraw/zinc/63/83/49/637638349.db2.gz JHFQRBKQRKFCJQ-MRVPVSSYSA-N 0 3 210.237 0.133 20 5 BCBDHN Cc1nn(C)c(C)c1C[C@H](C)NCC[N+](=O)[O-] ZINC000905140244 637648163 /nfs/dbraw/zinc/64/81/63/637648163.db2.gz UELOREPIUDMKJS-QMMMGPOBSA-N 0 3 240.307 0.834 20 5 BCBDHN Cn1nc(CCNCC[N+](=O)[O-])c2ccccc21 ZINC000905217761 637699243 /nfs/dbraw/zinc/69/92/43/637699243.db2.gz FRTZTOXRHFGJCE-UHFFFAOYSA-N 0 3 248.286 0.982 20 5 BCBDHN CC(C)(O)C(C)(C)CNCC[N+](=O)[O-] ZINC000905280194 637734952 /nfs/dbraw/zinc/73/49/52/637734952.db2.gz MKMPYYBQSQPYMO-UHFFFAOYSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCNCC[C@H](O)C1CCCC1 ZINC000905408522 637798625 /nfs/dbraw/zinc/79/86/25/637798625.db2.gz OLYJAVWDOAUPGM-JTQLQIEISA-N 0 3 216.281 0.794 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CCC2(CCC2)O1 ZINC000905443276 637815846 /nfs/dbraw/zinc/81/58/46/637815846.db2.gz YRPBHDLCULZBPQ-VIFPVBQESA-N 0 3 214.265 0.954 20 5 BCBDHN C[C@@H]1C[C@@]2(CC[C@@H](CNCC[N+](=O)[O-])O2)CO1 ZINC000905480594 637818984 /nfs/dbraw/zinc/81/89/84/637818984.db2.gz AKHORLGBPWPXEL-VWYCJHECSA-N 0 3 244.291 0.579 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905516766 637841969 /nfs/dbraw/zinc/84/19/69/637841969.db2.gz NRVPOOXNPGNIMT-BQBZGAKWSA-N 0 3 242.197 0.963 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905516799 637842512 /nfs/dbraw/zinc/84/25/12/637842512.db2.gz NRVPOOXNPGNIMT-RQJHMYQMSA-N 0 3 242.197 0.963 20 5 BCBDHN CNC(=O)CC[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930471827 639773655 /nfs/dbraw/zinc/77/36/55/639773655.db2.gz RKCNCUCVXOJCIO-SNVBAGLBSA-N 0 3 243.307 0.644 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H](CCCO)C1 ZINC000930675912 639859148 /nfs/dbraw/zinc/85/91/48/639859148.db2.gz ROYYJSMNGWQABN-VIFPVBQESA-N 0 3 202.254 0.358 20 5 BCBDHN CN1CCN(CC[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000930883499 639969563 /nfs/dbraw/zinc/96/95/63/639969563.db2.gz RLNRLTYNKGMDHW-SNVBAGLBSA-N 0 3 229.324 0.925 20 5 BCBDHN C[C@@H]1CN(CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931065042 640053166 /nfs/dbraw/zinc/05/31/66/640053166.db2.gz DZFSHNCPGBYFJR-BDAKNGLRSA-N 0 3 202.254 0.213 20 5 BCBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC[N+](=O)[O-] ZINC000931258393 640119316 /nfs/dbraw/zinc/11/93/16/640119316.db2.gz KTJITLZJBZYQBD-RBXMUDONSA-N 0 3 202.254 0.665 20 5 BCBDHN O=[N+]([O-])CCN1C[C@@H]2CCC[C@]2(CO)C1 ZINC000931261208 640122989 /nfs/dbraw/zinc/12/29/89/640122989.db2.gz PWLUPCWZTOOVOU-VHSXEESVSA-N 0 3 214.265 0.358 20 5 BCBDHN CC(C)(O)[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000931622368 640293430 /nfs/dbraw/zinc/29/34/30/640293430.db2.gz NGPXEBONYDVNIV-MRVPVSSYSA-N 0 3 202.254 0.356 20 5 BCBDHN CN1CCC[C@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918387929 642195639 /nfs/dbraw/zinc/19/56/39/642195639.db2.gz USPAJLHWXHJZFN-QMMMGPOBSA-N 0 3 210.237 0.886 20 5 BCBDHN CC[C@@H](O)[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000929686364 646244093 /nfs/dbraw/zinc/24/40/93/646244093.db2.gz UBMPWKKBEMAVFC-NXEZZACHSA-N 0 3 216.281 0.889 20 5 BCBDHN CC[C@H](O)[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000929686367 646244676 /nfs/dbraw/zinc/24/46/76/646244676.db2.gz UBMPWKKBEMAVFC-ZJUUUORDSA-N 0 3 216.281 0.889 20 5 BCBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCC[N+](=O)[O-] ZINC000930104636 646436216 /nfs/dbraw/zinc/43/62/16/646436216.db2.gz CQJQQCRSELSTOL-KOLCDFICSA-N 0 3 244.291 0.975 20 5 BCBDHN C[C@@H]1CN(CC[N+](=O)[O-])[C@H](C)CN1C ZINC000930163687 646453745 /nfs/dbraw/zinc/45/37/45/646453745.db2.gz VAEZFCVXOYJVDK-RKDXNWHRSA-N 0 3 201.270 0.288 20 5 BCBDHN C[C@@H]1[C@H](C)N(C)CCN1CC[N+](=O)[O-] ZINC000930176915 646480110 /nfs/dbraw/zinc/48/01/10/646480110.db2.gz GYDLCICOQMWLOJ-DTWKUNHWSA-N 0 3 201.270 0.288 20 5 BCBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000719571363 712810892 /nfs/dbraw/zinc/81/08/92/712810892.db2.gz GTFKTSGVCGFRDA-VXNVDRBHSA-N 0 3 237.263 0.889 20 5 BCBDHN C[C@@H](CCO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000593107712 347860008 /nfs/dbraw/zinc/86/00/08/347860008.db2.gz NEMSPYNIRFWSBV-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN NC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593669697 347924962 /nfs/dbraw/zinc/92/49/62/347924962.db2.gz BMOXKYFSOUWPPG-AOOOYVTPSA-N 0 3 249.270 0.948 20 5 BCBDHN Cc1nn(C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000594696873 348101085 /nfs/dbraw/zinc/10/10/85/348101085.db2.gz SHJCVPQYITUMSK-MRVPVSSYSA-N 0 3 226.236 0.088 20 5 BCBDHN C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159604832 350933561 /nfs/dbraw/zinc/93/35/61/350933561.db2.gz DGYNVXZXUNFEIQ-QMMMGPOBSA-N 0 3 249.270 0.827 20 5 BCBDHN Cc1c(CNC(=O)[C@H](C)N)cccc1[N+](=O)[O-] ZINC000231855971 351411850 /nfs/dbraw/zinc/41/18/50/351411850.db2.gz IURNRJSIMSBAOZ-QMMMGPOBSA-N 0 3 237.259 0.867 20 5 BCBDHN NC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048041298 181270920 /nfs/dbraw/zinc/27/09/20/181270920.db2.gz WIUJSRAIZBMEQS-SNVBAGLBSA-N 0 3 249.270 0.902 20 5 BCBDHN NC(=O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000048036978 181283728 /nfs/dbraw/zinc/28/37/28/181283728.db2.gz NUHSMJVVIVHCHX-JTQLQIEISA-N 0 3 249.270 0.902 20 5 BCBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088130740 181325542 /nfs/dbraw/zinc/32/55/42/181325542.db2.gz NRAQXTOTVXYZLI-UHFFFAOYSA-N 0 3 249.270 0.745 20 5 BCBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000237797088 181326294 /nfs/dbraw/zinc/32/62/94/181326294.db2.gz ZKKRZLYYXBNCBS-UHFFFAOYSA-N 0 3 249.270 0.745 20 5 BCBDHN CC1CCN(CCn2cnc([N+](=O)[O-])n2)CC1 ZINC000154241267 201271268 /nfs/dbraw/zinc/27/12/68/201271268.db2.gz KWNAOKMBDLMWFP-UHFFFAOYSA-N 0 3 239.279 0.918 20 5 BCBDHN NCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000177942245 181351552 /nfs/dbraw/zinc/35/15/52/181351552.db2.gz JGNZXWWFRBKNRA-UHFFFAOYSA-N 0 3 238.247 0.082 20 5 BCBDHN COC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000111892869 383882288 /nfs/dbraw/zinc/88/22/88/383882288.db2.gz FFJZZPIFOQSLDC-NSHDSACASA-N 0 3 240.259 0.692 20 5 BCBDHN O=C(CNC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000050015960 383890195 /nfs/dbraw/zinc/89/01/95/383890195.db2.gz BHLHFWSZEPQYRA-UHFFFAOYSA-N 0 3 249.270 0.963 20 5 BCBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000286399590 384300296 /nfs/dbraw/zinc/30/02/96/384300296.db2.gz LMXOCMKMTGHMAH-LURJTMIESA-N 0 3 240.267 0.329 20 5 BCBDHN C[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000178132139 384503111 /nfs/dbraw/zinc/50/31/11/384503111.db2.gz ZGMXANCXKGSCSB-ZETCQYMHSA-N 0 3 235.243 0.831 20 5 BCBDHN COC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000070980159 384487021 /nfs/dbraw/zinc/48/70/21/384487021.db2.gz KIXGEJWSOLMHEH-NSHDSACASA-N 0 3 240.259 0.692 20 5 BCBDHN NC(=O)[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000599003695 385088301 /nfs/dbraw/zinc/08/83/01/385088301.db2.gz LWMSLSISKKBEJG-MGCOHNPYSA-N 0 3 249.270 0.948 20 5 BCBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000346134216 387016945 /nfs/dbraw/zinc/01/69/45/387016945.db2.gz BWHKVZAMMQBFMJ-SSDOTTSWSA-N 0 3 241.247 0.868 20 5 BCBDHN O=[N+]([O-])c1cnc(NCCN2CCCC2)nc1 ZINC000054128560 387347331 /nfs/dbraw/zinc/34/73/31/387347331.db2.gz FLNULMVIGHUNLF-UHFFFAOYSA-N 0 3 237.263 0.893 20 5 BCBDHN CN(C)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC000361074249 387396181 /nfs/dbraw/zinc/39/61/81/387396181.db2.gz SRNNEIMXVMQELW-UHFFFAOYSA-N 0 3 222.248 0.740 20 5 BCBDHN CN[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000054074472 388023016 /nfs/dbraw/zinc/02/30/16/388023016.db2.gz SELHGIWSGZXFSB-QMMMGPOBSA-N 0 3 237.259 0.819 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CO)C2)c1 ZINC000304492546 388359044 /nfs/dbraw/zinc/35/90/44/388359044.db2.gz MHDJXPYFPWVLJE-SECBINFHSA-N 0 3 240.263 0.106 20 5 BCBDHN CN(C)C1CN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000271714537 388398825 /nfs/dbraw/zinc/39/88/25/388398825.db2.gz IAGVKDIXPFFWTQ-UHFFFAOYSA-N 0 3 225.252 0.079 20 5 BCBDHN Cc1ccc(CNC[C@H](O)CO)cc1[N+](=O)[O-] ZINC000090282377 388403334 /nfs/dbraw/zinc/40/33/34/388403334.db2.gz PWCBGJBDNLWTSJ-JTQLQIEISA-N 0 3 240.259 0.346 20 5 BCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000351951578 134016788 /nfs/dbraw/zinc/01/67/88/134016788.db2.gz LNHOCVWEZTXBLO-IUCAKERBSA-N 0 3 240.263 0.104 20 5 BCBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O ZINC000352228995 134110860 /nfs/dbraw/zinc/11/08/60/134110860.db2.gz BURMXAFDCMQNTQ-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@@H]1CNCCN1c1ncc([N+](=O)[O-])s1 ZINC000261910845 135262655 /nfs/dbraw/zinc/26/26/55/135262655.db2.gz YBRDIDKECNQWRG-ZCFIWIBFSA-N 0 3 228.277 0.849 20 5 BCBDHN C[C@]1(O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177985203 398102885 /nfs/dbraw/zinc/10/28/85/398102885.db2.gz QTYHHQIMXTXJNR-JTQLQIEISA-N 0 3 240.263 0.248 20 5 BCBDHN CN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454555 172999419 /nfs/dbraw/zinc/99/94/19/172999419.db2.gz PAWGRKHCUYVRPO-UHFFFAOYSA-N 0 3 237.263 0.891 20 5 BCBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454701 173118021 /nfs/dbraw/zinc/11/80/21/173118021.db2.gz NHAQPXKYOHGAQD-QMMMGPOBSA-N 0 3 237.263 0.748 20 5 BCBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454698 173146305 /nfs/dbraw/zinc/14/63/05/173146305.db2.gz NHAQPXKYOHGAQD-MRVPVSSYSA-N 0 3 237.263 0.748 20 5 BCBDHN C[C@@H]1C[C@@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000340886777 176382070 /nfs/dbraw/zinc/38/20/70/176382070.db2.gz DHVKEIXQJYJISO-RKDXNWHRSA-N 0 3 240.263 0.246 20 5 BCBDHN C[C@H]1C[C@@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000340886773 177337817 /nfs/dbraw/zinc/33/78/17/177337817.db2.gz DHVKEIXQJYJISO-DTWKUNHWSA-N 0 3 240.263 0.246 20 5 BCBDHN CC(C)(C)C[C@H](O)CNCC[N+](=O)[O-] ZINC000905354716 637772575 /nfs/dbraw/zinc/77/25/75/637772575.db2.gz PEFPZQQOWLVLRA-QMMMGPOBSA-N 0 3 204.270 0.650 20 5 BCBDHN C[C@@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755785 582500207 /nfs/dbraw/zinc/50/02/07/582500207.db2.gz JYDGTTIKGXBNHP-LDYMZIIASA-N 0 3 240.259 0.599 20 5 BCBDHN CN(C)CCONC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000854946968 588818231 /nfs/dbraw/zinc/81/82/31/588818231.db2.gz CKQGIRQLGUWXES-UHFFFAOYSA-N 0 3 242.235 0.146 20 5 BCBDHN CCC(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111803 582588933 /nfs/dbraw/zinc/58/89/33/582588933.db2.gz XOBCNTOJEQQDLQ-RNFRBKRXSA-N 0 3 232.236 0.110 20 5 BCBDHN CC(COC(=O)C1=COCC1)[N+](=O)[O-] ZINC000813113133 582589442 /nfs/dbraw/zinc/58/94/42/582589442.db2.gz BLFMWHUHMOKDOF-LURJTMIESA-N 0 3 201.178 0.499 20 5 BCBDHN NC(=O)C[C@@H](NCC[N+](=O)[O-])C1CCCCC1 ZINC000787732231 585915056 /nfs/dbraw/zinc/91/50/56/585915056.db2.gz XFWGKOAJEMRXKU-SNVBAGLBSA-N 0 3 243.307 0.677 20 5 BCBDHN CN(CCCn1ccnc1)CC[N+](=O)[O-] ZINC000791055450 585973036 /nfs/dbraw/zinc/97/30/36/585973036.db2.gz ULRJFORQCVELQU-UHFFFAOYSA-N 0 3 212.253 0.482 20 5 BCBDHN CC(C)(O)[C@H]1CCCN1CC[N+](=O)[O-] ZINC000791053205 585973446 /nfs/dbraw/zinc/97/34/46/585973446.db2.gz BPJWFCBQGZUHSM-MRVPVSSYSA-N 0 3 202.254 0.498 20 5 BCBDHN CC1([C@@H]2CCCN(CC[N+](=O)[O-])C2)OCCO1 ZINC000791053772 585973450 /nfs/dbraw/zinc/97/34/50/585973450.db2.gz GKDKVGHXMFTXIQ-SNVBAGLBSA-N 0 3 244.291 0.738 20 5 BCBDHN CC(COC(=O)c1cncs1)[N+](=O)[O-] ZINC000797279299 586124858 /nfs/dbraw/zinc/12/48/58/586124858.db2.gz KJOCWKBIKVHWDN-YFKPBYRVSA-N 0 3 216.218 0.965 20 5 BCBDHN Cc1c(CC(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000797279014 586124865 /nfs/dbraw/zinc/12/48/65/586124865.db2.gz HOWLLWRZIOCXFG-ZETCQYMHSA-N 0 3 241.247 0.479 20 5 BCBDHN CC(COC(=O)CCc1ccn(C)n1)[N+](=O)[O-] ZINC000797281129 586125021 /nfs/dbraw/zinc/12/50/21/586125021.db2.gz QKLIBQZKKTXXFW-QMMMGPOBSA-N 0 3 241.247 0.561 20 5 BCBDHN O=[N+]([O-])CCN1CCCC[C@H]1CCO ZINC000798195447 586139961 /nfs/dbraw/zinc/13/99/61/586139961.db2.gz NNORNQFBSRQLAO-VIFPVBQESA-N 0 3 202.254 0.500 20 5 BCBDHN COCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107017 586591763 /nfs/dbraw/zinc/59/17/63/586591763.db2.gz KIOZRUHBLYALSN-SSDOTTSWSA-N 0 3 205.210 0.621 20 5 BCBDHN CCOc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813102718 586592071 /nfs/dbraw/zinc/59/20/71/586592071.db2.gz JLHOCUFXQTVROZ-LURJTMIESA-N 0 3 244.203 0.895 20 5 BCBDHN CC[C@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101831 586592188 /nfs/dbraw/zinc/59/21/88/586592188.db2.gz JLCHQNIANPKPDW-RQJHMYQMSA-N 0 3 205.210 0.620 20 5 BCBDHN CC(COC(=O)c1cnn(CCF)c1)[N+](=O)[O-] ZINC000813107721 586592692 /nfs/dbraw/zinc/59/26/92/586592692.db2.gz UWYHEGOMNYKAKW-ZETCQYMHSA-N 0 3 245.210 0.675 20 5 BCBDHN CC(COC(=O)[C@H]1CCOC[C@H]1C)[N+](=O)[O-] ZINC000813106375 586592910 /nfs/dbraw/zinc/59/29/10/586592910.db2.gz BWKALATZACVIHR-VGMNWLOBSA-N 0 3 231.248 0.867 20 5 BCBDHN CC(COC(=O)[C@H]1C[C@]12CCOC2)[N+](=O)[O-] ZINC000813109328 586593335 /nfs/dbraw/zinc/59/33/35/586593335.db2.gz ICMWJWRXTZIKDE-MRTMQBJTSA-N 0 3 229.232 0.621 20 5 BCBDHN Cc1nn(C)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111824 586593609 /nfs/dbraw/zinc/59/36/09/586593609.db2.gz AJGUTRRMVHVNJI-LURJTMIESA-N 0 3 241.247 0.859 20 5 BCBDHN CC(COC(=O)C1CCC(=O)CC1)[N+](=O)[O-] ZINC000813111334 586593764 /nfs/dbraw/zinc/59/37/64/586593764.db2.gz RIWMPROBTLTKDY-SSDOTTSWSA-N 0 3 229.232 0.954 20 5 BCBDHN CC(COC(=O)c1cnn(C)c1)[N+](=O)[O-] ZINC000813110390 586593784 /nfs/dbraw/zinc/59/37/84/586593784.db2.gz ZOTRTVVOIFRGHU-LURJTMIESA-N 0 3 213.193 0.242 20 5 BCBDHN CC(COC(=O)[C@H]1CCCOC1)[N+](=O)[O-] ZINC000813115701 586594294 /nfs/dbraw/zinc/59/42/94/586594294.db2.gz YDKVZBOVSMGLIF-YUMQZZPRSA-N 0 3 217.221 0.621 20 5 BCBDHN CCc1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114909 586594207 /nfs/dbraw/zinc/59/42/07/586594207.db2.gz XNUWSZNXSQDUPM-SSDOTTSWSA-N 0 3 241.247 0.805 20 5 BCBDHN C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)C ZINC000822458318 587169238 /nfs/dbraw/zinc/16/92/38/587169238.db2.gz RZECIEXEXQVILQ-VIFPVBQESA-N 0 3 245.323 0.888 20 5 BCBDHN CC(COC(=O)[C@H]1CCC(=O)C1)[N+](=O)[O-] ZINC000842802342 588065115 /nfs/dbraw/zinc/06/51/15/588065115.db2.gz VTPQRCFWNNVWQM-BQBZGAKWSA-N 0 3 215.205 0.564 20 5 BCBDHN CCn1ccc(CC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000845574291 588233498 /nfs/dbraw/zinc/23/34/98/588233498.db2.gz AKFUQTNABMVDHF-MRVPVSSYSA-N 0 3 241.247 0.654 20 5 BCBDHN CCn1ccc(CC(=O)OCC(C)[N+](=O)[O-])n1 ZINC000845574294 588233506 /nfs/dbraw/zinc/23/35/06/588233506.db2.gz AKFUQTNABMVDHF-QMMMGPOBSA-N 0 3 241.247 0.654 20 5 BCBDHN CC(COC(=O)c1c(Cl)cnn1C)[N+](=O)[O-] ZINC000851037621 588585976 /nfs/dbraw/zinc/58/59/76/588585976.db2.gz YGUROLGQKIXMMR-RXMQYKEDSA-N 0 3 247.638 0.896 20 5 BCBDHN CC(C)[C@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642864 589387546 /nfs/dbraw/zinc/38/75/46/589387546.db2.gz YMVHWZQEFJWHIM-VIFPVBQESA-N 0 3 241.295 0.989 20 5 BCBDHN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1[N+](=O)[O-] ZINC000867996254 589543047 /nfs/dbraw/zinc/54/30/47/589543047.db2.gz WFTYFHPZCFIERJ-ZJUUUORDSA-N 0 3 249.270 0.867 20 5 BCBDHN C[C@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123551786 589750131 /nfs/dbraw/zinc/75/01/31/589750131.db2.gz CKSGTKUCAKQJDU-KCJUWKMLSA-N 0 3 240.259 0.599 20 5 BCBDHN CS[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000308318938 631282006 /nfs/dbraw/zinc/28/20/06/631282006.db2.gz ZBOJAMMYOXLQHD-PHDIDXHHSA-N 0 3 207.251 0.946 20 5 BCBDHN C[C@H]1C[C@@H](CO)CN(CC[N+](=O)[O-])C1 ZINC000930751399 634088368 /nfs/dbraw/zinc/08/83/68/634088368.db2.gz ZQVKGQVLVMBNSW-DTWKUNHWSA-N 0 3 202.254 0.213 20 5 BCBDHN CCNC(=O)C(C)(C)CNCC[N+](=O)[O-] ZINC000905184243 637665853 /nfs/dbraw/zinc/66/58/53/637665853.db2.gz VTFBNCYGXJJVEQ-UHFFFAOYSA-N 0 3 217.269 0.015 20 5 BCBDHN O=[N+]([O-])CCNCC[C@H](O)C(F)(F)F ZINC000905349658 637769380 /nfs/dbraw/zinc/76/93/80/637769380.db2.gz KOHJNCWSJSGDJD-YFKPBYRVSA-N 0 3 216.159 0.166 20 5 BCBDHN O=[N+]([O-])CCNCCc1ccc(CO)cc1 ZINC000905350343 637771501 /nfs/dbraw/zinc/77/15/01/637771501.db2.gz MTFDAEMHGCNGOG-UHFFFAOYSA-N 0 3 224.260 0.588 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccccc1 ZINC000905343549 637781909 /nfs/dbraw/zinc/78/19/09/637781909.db2.gz ZNOUTZXFAQQENE-LBPRGKRZSA-N 0 3 238.287 0.704 20 5 BCBDHN COC(=O)CC1(NCC[N+](=O)[O-])CCCC1 ZINC000930274736 639678882 /nfs/dbraw/zinc/67/88/82/639678882.db2.gz HMOMIULRXRSQLZ-UHFFFAOYSA-N 0 3 230.264 0.729 20 5 BCBDHN COC[C@@]1(C)CCN(CC[N+](=O)[O-])C1 ZINC000930603558 639817393 /nfs/dbraw/zinc/81/73/93/639817393.db2.gz JMJQPAMNPLOGGK-VIFPVBQESA-N 0 3 202.254 0.622 20 5 BCBDHN CO[C@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930628769 639830555 /nfs/dbraw/zinc/83/05/55/639830555.db2.gz OYDUKOXFMNRASP-SFYZADRCSA-N 0 3 202.254 0.666 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000931021734 640026927 /nfs/dbraw/zinc/02/69/27/640026927.db2.gz KFXFDCQCQUDQDS-JGVFFNPUSA-N 0 3 200.238 0.156 20 5 BCBDHN CC(C)(O)[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931610662 640288328 /nfs/dbraw/zinc/28/83/28/640288328.db2.gz DKWAWCGCORZKKK-VIFPVBQESA-N 0 3 216.281 0.746 20 5 BCBDHN C[C@H](Cc1cccnc1)NCC[N+](=O)[O-] ZINC000934225256 641104774 /nfs/dbraw/zinc/10/47/74/641104774.db2.gz KMMLCEPTCDOTSU-SECBINFHSA-N 0 3 209.249 0.879 20 5 BCBDHN CCN(CC[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000929285605 646062464 /nfs/dbraw/zinc/06/24/64/646062464.db2.gz BOOBLPAYVXXHRB-VIFPVBQESA-N 0 3 202.254 0.622 20 5 BCBDHN CCN(CC[N+](=O)[O-])C[C@H]1CCOC1 ZINC000929285604 646063195 /nfs/dbraw/zinc/06/31/95/646063195.db2.gz BOOBLPAYVXXHRB-SECBINFHSA-N 0 3 202.254 0.622 20 5 BCBDHN CCOC[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929780934 646309222 /nfs/dbraw/zinc/30/92/22/646309222.db2.gz SJSYKMNVKRPOEU-SECBINFHSA-N 0 3 202.254 0.622 20 5 BCBDHN CN1CCC[C@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000916575117 711873118 /nfs/dbraw/zinc/87/31/18/711873118.db2.gz IPDBQSSBPCQYGB-QMMMGPOBSA-N 0 3 210.237 0.886 20 5 BCBDHN C[C@H](O)[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000717391506 712653819 /nfs/dbraw/zinc/65/38/19/712653819.db2.gz BAPPIFFPHYFFPM-KWQFWETISA-N 0 3 240.259 0.426 20 5 BCBDHN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000719570487 712811091 /nfs/dbraw/zinc/81/10/91/712811091.db2.gz DVMUNSCKSHJNJS-HTQZYQBOSA-N 0 3 239.279 0.833 20 5 BCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N(C)C ZINC000046275733 343108358 /nfs/dbraw/zinc/10/83/58/343108358.db2.gz PIQKWXBLVYDQDI-ZETCQYMHSA-N 0 3 241.247 0.868 20 5 BCBDHN CN(C)CCN(C)c1c([N+](=O)[O-])ncn1C ZINC000080685000 345431533 /nfs/dbraw/zinc/43/15/33/345431533.db2.gz CWJSHLIHBUTIIW-UHFFFAOYSA-N 0 3 227.268 0.326 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000589101422 346664938 /nfs/dbraw/zinc/66/49/38/346664938.db2.gz CVWSTYLZQAGCLC-SNVBAGLBSA-N 0 3 239.275 0.929 20 5 BCBDHN CC(C)(N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650176 348088954 /nfs/dbraw/zinc/08/89/54/348088954.db2.gz UISQQCKKELNWEZ-UHFFFAOYSA-N 0 3 248.246 0.764 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1cccnc1[N+](=O)[O-] ZINC000596245301 348485883 /nfs/dbraw/zinc/48/58/83/348485883.db2.gz XCHGSAZZQNXMOU-QMMMGPOBSA-N 0 3 240.263 0.324 20 5 BCBDHN Cc1nc(NCCN(C)C)ncc1[N+](=O)[O-] ZINC000295539623 180017691 /nfs/dbraw/zinc/01/76/91/180017691.db2.gz TYVHETHCSZYIFN-UHFFFAOYSA-N 0 3 225.252 0.667 20 5 BCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052893365 351076526 /nfs/dbraw/zinc/07/65/26/351076526.db2.gz OSBKMSVIHJMFJO-UHFFFAOYSA-N 0 3 226.236 0.214 20 5 BCBDHN Cc1nc(N2CCN[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000420248768 192186876 /nfs/dbraw/zinc/18/68/76/192186876.db2.gz WRELRMOXDFOSML-SSDOTTSWSA-N 0 3 237.263 0.491 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174818678 134283540 /nfs/dbraw/zinc/28/35/40/134283540.db2.gz SNBFUUWQSJDSHU-UHFFFAOYSA-N 0 3 210.237 0.886 20 5 BCBDHN CC[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000451158487 202364175 /nfs/dbraw/zinc/36/41/75/202364175.db2.gz ZCVMCSMLCKUIHW-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810233 367985036 /nfs/dbraw/zinc/98/50/36/367985036.db2.gz SRQRNUUVWFLWJG-QMMMGPOBSA-N 0 3 237.259 0.900 20 5 BCBDHN C[C@@]1(O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177977052 383993504 /nfs/dbraw/zinc/99/35/04/383993504.db2.gz XPDMTQVADNQOHF-SNVBAGLBSA-N 0 3 240.263 0.248 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000179198821 384642347 /nfs/dbraw/zinc/64/23/47/384642347.db2.gz XNWXWYBRPDXGIL-UHFFFAOYSA-N 0 3 237.259 0.851 20 5 BCBDHN NC(=O)[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000599003698 385088377 /nfs/dbraw/zinc/08/83/77/385088377.db2.gz MBORFQZCSIOAKC-MGCOHNPYSA-N 0 3 249.270 0.948 20 5 BCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N(C)C ZINC000263967737 385186058 /nfs/dbraw/zinc/18/60/58/385186058.db2.gz SWMFSZJDJRYPRH-LURJTMIESA-N 0 3 240.267 0.329 20 5 BCBDHN CNCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237207258 385635043 /nfs/dbraw/zinc/63/50/43/385635043.db2.gz GVANUMCKTPCYBE-UHFFFAOYSA-N 0 3 249.270 0.699 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000424080077 388693928 /nfs/dbraw/zinc/69/39/28/388693928.db2.gz HNVBUEOFCUDFJU-DTWKUNHWSA-N 0 3 235.243 0.558 20 5 BCBDHN C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cn1 ZINC000054375224 132364302 /nfs/dbraw/zinc/36/43/02/132364302.db2.gz HDUCHXGIUDFNEP-MRVPVSSYSA-N 0 3 222.248 0.788 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](CO)C2)n1 ZINC000177026543 134293546 /nfs/dbraw/zinc/29/35/46/134293546.db2.gz ACTRXVMXGZCORB-VIFPVBQESA-N 0 3 240.263 0.106 20 5 BCBDHN C[C@H](O)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000177026996 397840503 /nfs/dbraw/zinc/84/05/03/397840503.db2.gz ZZKDEHMJCSUTDE-QMMMGPOBSA-N 0 3 228.252 0.104 20 5 BCBDHN CCOCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000093312572 170390070 /nfs/dbraw/zinc/39/00/70/170390070.db2.gz VQYAPNWTKJWLGY-UHFFFAOYSA-N 0 3 242.279 0.760 20 5 BCBDHN CNCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766532 173333177 /nfs/dbraw/zinc/33/31/77/173333177.db2.gz WOOZAOBKWMTLDP-MRVPVSSYSA-N 0 3 237.259 0.991 20 5 BCBDHN C[C@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000340906166 177337227 /nfs/dbraw/zinc/33/72/27/177337227.db2.gz KQWJTCSBJZROAM-WCBMZHEXSA-N 0 3 240.263 0.246 20 5 BCBDHN CC(COC(=O)C[C@H]1CCOC1)[N+](=O)[O-] ZINC000813107607 586592686 /nfs/dbraw/zinc/59/26/86/586592686.db2.gz OZGMNUKEYFSLTE-JGVFFNPUSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)[C@H]1C[C@H](C)CO1)[N+](=O)[O-] ZINC000893047271 583037988 /nfs/dbraw/zinc/03/79/88/583037988.db2.gz LPODQNDAPJASTK-XLPZGREQSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)[C@H]1CCN(C)C(=O)C1)[N+](=O)[O-] ZINC000813112594 582590195 /nfs/dbraw/zinc/59/01/95/582590195.db2.gz IXPPIOBDQQYNAQ-YUMQZZPRSA-N 0 3 244.247 0.063 20 5 BCBDHN CC(COC(=O)COC1CC1)[N+](=O)[O-] ZINC000893047779 583037856 /nfs/dbraw/zinc/03/78/56/583037856.db2.gz OHXNJZQEJYYSAS-LURJTMIESA-N 0 3 203.194 0.374 20 5 BCBDHN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CCN1C ZINC000895734679 583717311 /nfs/dbraw/zinc/71/73/11/583717311.db2.gz PRBUFDJXDKFONR-HTQZYQBOSA-N 0 3 239.279 0.833 20 5 BCBDHN O=[N+]([O-])CCNCCCOC[C@@H]1CCCO1 ZINC000899865563 584245671 /nfs/dbraw/zinc/24/56/71/584245671.db2.gz IEPKMWDENGOXSJ-JTQLQIEISA-N 0 3 232.280 0.438 20 5 BCBDHN Cc1ccncc1CCNCC[N+](=O)[O-] ZINC000899890713 584246209 /nfs/dbraw/zinc/24/62/09/584246209.db2.gz HBJIMKFNGBNEIS-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN CC(COC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)[N+](=O)[O-] ZINC000838965737 585082448 /nfs/dbraw/zinc/08/24/48/585082448.db2.gz YMXRAEJHIXPXPQ-XAVMHZPKSA-N 0 3 241.243 0.810 20 5 BCBDHN COC[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000791051422 585972831 /nfs/dbraw/zinc/97/28/31/585972831.db2.gz CTKPWNODOGXKAN-VIFPVBQESA-N 0 3 202.254 0.622 20 5 BCBDHN C[C@@H](O)C[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000791053759 585973363 /nfs/dbraw/zinc/97/33/63/585973363.db2.gz GHENQUCUQWOIKI-BDAKNGLRSA-N 0 3 202.254 0.498 20 5 BCBDHN CC(COC(=O)c1ccn(C)c1)[N+](=O)[O-] ZINC000813104327 586591957 /nfs/dbraw/zinc/59/19/57/586591957.db2.gz MODTVLUBPOPJHO-SSDOTTSWSA-N 0 3 212.205 0.847 20 5 BCBDHN CC(COC(=O)Cc1cnn(C)c1)[N+](=O)[O-] ZINC000813101489 586592035 /nfs/dbraw/zinc/59/20/35/586592035.db2.gz BLFPTMJUHGLREM-ZETCQYMHSA-N 0 3 227.220 0.171 20 5 BCBDHN CC(COC(=O)C[C@H]1CCCC(=O)N1)[N+](=O)[O-] ZINC000813102912 586592200 /nfs/dbraw/zinc/59/22/00/586592200.db2.gz LOEFKHOYSXGHGM-JGVFFNPUSA-N 0 3 244.247 0.254 20 5 BCBDHN CC(COC(=O)c1cccn1C)[N+](=O)[O-] ZINC000813103710 586592278 /nfs/dbraw/zinc/59/22/78/586592278.db2.gz GDJHPLZAUWPLJC-SSDOTTSWSA-N 0 3 212.205 0.847 20 5 BCBDHN CO[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103783 586592320 /nfs/dbraw/zinc/59/23/20/586592320.db2.gz TVUAWHDNNNTNCO-RQJHMYQMSA-N 0 3 205.210 0.620 20 5 BCBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]1 ZINC000813105496 586592390 /nfs/dbraw/zinc/59/23/90/586592390.db2.gz NDHSECNRZCPNPK-SSDOTTSWSA-N 0 3 240.215 0.918 20 5 BCBDHN CC(COC(=O)[C@H]1CCOC[C@H]1C)[N+](=O)[O-] ZINC000813106372 586592774 /nfs/dbraw/zinc/59/27/74/586592774.db2.gz BWKALATZACVIHR-HLTSFMKQSA-N 0 3 231.248 0.867 20 5 BCBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000813107490 586592778 /nfs/dbraw/zinc/59/27/78/586592778.db2.gz QZFZJXTZXZXYDR-LURJTMIESA-N 0 3 243.219 0.251 20 5 BCBDHN COCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106718 586592930 /nfs/dbraw/zinc/59/29/30/586592930.db2.gz GXBCUTLPXXSYID-SSDOTTSWSA-N 0 3 219.237 0.867 20 5 BCBDHN CC(COC(=O)COC(F)F)[N+](=O)[O-] ZINC000813112518 586593167 /nfs/dbraw/zinc/59/31/67/586593167.db2.gz HMUFHJFZNULAFI-BYPYZUCNSA-N 0 3 213.136 0.434 20 5 BCBDHN Cc1ncc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000813108666 586593345 /nfs/dbraw/zinc/59/33/45/586593345.db2.gz JLNZGKDFYYUYCQ-ZCFIWIBFSA-N 0 3 239.231 0.915 20 5 BCBDHN COC(=O)C[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112391 586593507 /nfs/dbraw/zinc/59/35/07/586593507.db2.gz PSMAZIBPLKAXSU-BQBZGAKWSA-N 0 3 233.220 0.394 20 5 BCBDHN CC(COC(=O)CCCCNC(N)=O)[N+](=O)[O-] ZINC000813110315 586593531 /nfs/dbraw/zinc/59/35/31/586593531.db2.gz XHTOHWIFLGEEQR-SSDOTTSWSA-N 0 3 247.251 0.033 20 5 BCBDHN CC(COC(=O)COC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813111499 586593649 /nfs/dbraw/zinc/59/36/49/586593649.db2.gz TZNKICWMVYHDEJ-BDAKNGLRSA-N 0 3 247.247 0.390 20 5 BCBDHN CC(COC(=O)[C@@H]1CCN(C)C(=O)C1)[N+](=O)[O-] ZINC000813112591 586593824 /nfs/dbraw/zinc/59/38/24/586593824.db2.gz IXPPIOBDQQYNAQ-HTQZYQBOSA-N 0 3 244.247 0.063 20 5 BCBDHN CC(COC(=O)/C=C\c1cnn(C)c1)[N+](=O)[O-] ZINC000813112452 586594024 /nfs/dbraw/zinc/59/40/24/586594024.db2.gz QAMCRPGUCMQEDZ-VEMNSZJBSA-N 0 3 239.231 0.642 20 5 BCBDHN CCOCCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113564 586594095 /nfs/dbraw/zinc/59/40/95/586594095.db2.gz GGPVOPMREPSGMF-IUCAKERBSA-N 0 3 249.263 0.636 20 5 BCBDHN CCn1nncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000816091282 586707501 /nfs/dbraw/zinc/70/75/01/586707501.db2.gz QPKXWKOPVXYGBT-LURJTMIESA-N 0 3 228.208 0.120 20 5 BCBDHN C[C@@H](CN(C)C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000832015861 587642641 /nfs/dbraw/zinc/64/26/41/587642641.db2.gz BOJAAADNNJCYRG-VIFPVBQESA-N 0 3 245.323 0.888 20 5 BCBDHN CC(COC(=O)[C@@H]1CCC(=O)C1)[N+](=O)[O-] ZINC000842802344 588064860 /nfs/dbraw/zinc/06/48/60/588064860.db2.gz VTPQRCFWNNVWQM-RNFRBKRXSA-N 0 3 215.205 0.564 20 5 BCBDHN COc1ccnc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000842802418 588064864 /nfs/dbraw/zinc/06/48/64/588064864.db2.gz YEVUPBZKXJTWTI-ZETCQYMHSA-N 0 3 240.215 0.912 20 5 BCBDHN CC(COC(=O)[C@H]1CCC(=O)C1)[N+](=O)[O-] ZINC000842802345 588064973 /nfs/dbraw/zinc/06/49/73/588064973.db2.gz VTPQRCFWNNVWQM-RQJHMYQMSA-N 0 3 215.205 0.564 20 5 BCBDHN C[C@@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843071825 588078882 /nfs/dbraw/zinc/07/88/82/588078882.db2.gz OJAFNLIOASTPDW-KWQFWETISA-N 0 3 240.259 0.599 20 5 BCBDHN COC/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000870377333 589661350 /nfs/dbraw/zinc/66/13/50/589661350.db2.gz PZDOFPOFRPEKPA-AVALRIAPSA-N 0 3 203.194 0.397 20 5 BCBDHN CC[C@@H](NC(C)=O)C(=O)OCC(C)[N+](=O)[O-] ZINC000870378845 589661690 /nfs/dbraw/zinc/66/16/90/589661690.db2.gz YEUWITWOWSCUFB-HTRCEHHLSA-N 0 3 232.236 0.110 20 5 BCBDHN COC(=O)[C@@H]1CC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532343 590054475 /nfs/dbraw/zinc/05/44/75/590054475.db2.gz FLAQYBHEGMYTAI-RNJXMRFFSA-N 0 3 245.231 0.394 20 5 BCBDHN C[C@@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755748 591948906 /nfs/dbraw/zinc/94/89/06/591948906.db2.gz JYDGTTIKGXBNHP-KCJUWKMLSA-N 0 3 240.259 0.599 20 5 BCBDHN CN(CCO)CCNc1cccnc1[N+](=O)[O-] ZINC000884823743 592022462 /nfs/dbraw/zinc/02/24/62/592022462.db2.gz CKEIZBGBQKEHQQ-UHFFFAOYSA-N 0 3 240.263 0.326 20 5 BCBDHN CS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000308318939 631282873 /nfs/dbraw/zinc/28/28/73/631282873.db2.gz ZBOJAMMYOXLQHD-RITPCOANSA-N 0 3 207.251 0.946 20 5 BCBDHN C[C@H]1C[C@H](CO)CN(CC[N+](=O)[O-])C1 ZINC000930751400 634089459 /nfs/dbraw/zinc/08/94/59/634089459.db2.gz ZQVKGQVLVMBNSW-IUCAKERBSA-N 0 3 202.254 0.213 20 5 BCBDHN Cc1csc(CCNCC[N+](=O)[O-])n1 ZINC000905041263 637559750 /nfs/dbraw/zinc/55/97/50/637559750.db2.gz QRAIAENSLINJFY-UHFFFAOYSA-N 0 3 215.278 0.860 20 5 BCBDHN C[C@@H](CO[C@@H]1CCOC1)NCC[N+](=O)[O-] ZINC000905158093 637638763 /nfs/dbraw/zinc/63/87/63/637638763.db2.gz DLOMRUSIVWNYAP-DTWKUNHWSA-N 0 3 218.253 0.047 20 5 BCBDHN O=[N+]([O-])CCNCCc1cnc(C2CC2)nc1 ZINC000905190662 637672003 /nfs/dbraw/zinc/67/20/03/637672003.db2.gz XUHKDBHERUYIBX-UHFFFAOYSA-N 0 3 236.275 0.763 20 5 BCBDHN C[C@H](Cc1cnn(C)c1)NCC[N+](=O)[O-] ZINC000905281397 637735115 /nfs/dbraw/zinc/73/51/15/637735115.db2.gz UNMAGIJHXXOHBR-MRVPVSSYSA-N 0 3 212.253 0.217 20 5 BCBDHN O=[N+]([O-])CCNCC1(CO)CCCC1 ZINC000905359046 637777822 /nfs/dbraw/zinc/77/78/22/637777822.db2.gz HFICMIJSGULZJR-UHFFFAOYSA-N 0 3 202.254 0.405 20 5 BCBDHN C[C@]1(CNCC[N+](=O)[O-])CCCC[C@H]1O ZINC000905361601 637780825 /nfs/dbraw/zinc/78/08/25/637780825.db2.gz QFPKDPPXBJRAMR-NXEZZACHSA-N 0 3 216.281 0.794 20 5 BCBDHN C[C@H](NCC[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000905362494 637788271 /nfs/dbraw/zinc/78/82/71/637788271.db2.gz BJBOFDNWCXNVCF-JQWIXIFHSA-N 0 3 238.287 0.845 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000905409831 637800473 /nfs/dbraw/zinc/80/04/73/637800473.db2.gz WYCHBXZMPNULTQ-UTLUCORTSA-N 0 3 214.265 0.810 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CO[C@H](C2CC2)C1 ZINC000905396759 637807861 /nfs/dbraw/zinc/80/78/61/637807861.db2.gz TZEYDPPYTDKECE-BDAKNGLRSA-N 0 3 200.238 0.420 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CCC2(CCC2)O1 ZINC000905443275 637815593 /nfs/dbraw/zinc/81/55/93/637815593.db2.gz YRPBHDLCULZBPQ-SECBINFHSA-N 0 3 214.265 0.954 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CC2(CCC2)CO1 ZINC000905471524 637830484 /nfs/dbraw/zinc/83/04/84/637830484.db2.gz CBCNKJGJPGYHMC-VIFPVBQESA-N 0 3 214.265 0.812 20 5 BCBDHN COC(=O)[C@@H]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905506383 637832280 /nfs/dbraw/zinc/83/22/80/637832280.db2.gz VJLGFAUMTXCVIQ-SFYZADRCSA-N 0 3 216.237 0.194 20 5 BCBDHN CCCCN(CCCO)CC[N+](=O)[O-] ZINC000930235887 639645593 /nfs/dbraw/zinc/64/55/93/639645593.db2.gz HXNSUHVMUFVEFY-UHFFFAOYSA-N 0 3 204.270 0.748 20 5 BCBDHN C[C@@H](O)C[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930267016 639670578 /nfs/dbraw/zinc/67/05/78/639670578.db2.gz FDDRRLOGDINXGP-NXEZZACHSA-N 0 3 216.281 0.889 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@@H]1[C@H]1CCCO1 ZINC000930366756 639732719 /nfs/dbraw/zinc/73/27/19/639732719.db2.gz YMLNDMPVVMUDLU-NXEZZACHSA-N 0 3 214.265 0.907 20 5 BCBDHN O=[N+]([O-])CCN1CCCC[C@H]1C1(O)CC1 ZINC000930693011 639864516 /nfs/dbraw/zinc/86/45/16/639864516.db2.gz POBDLXCYCMYTEX-VIFPVBQESA-N 0 3 214.265 0.643 20 5 BCBDHN CO[C@@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930700130 639866079 /nfs/dbraw/zinc/86/60/79/639866079.db2.gz PPGBKICPNLLMGA-RKDXNWHRSA-N 0 3 214.265 0.810 20 5 BCBDHN C[C@H]1[C@@H](CO)CCCN1CC[N+](=O)[O-] ZINC000930740855 639890543 /nfs/dbraw/zinc/89/05/43/639890543.db2.gz WSYCKJYQTNRIQP-DTWKUNHWSA-N 0 3 202.254 0.356 20 5 BCBDHN COCC(C)(C)N1CCN(CC[N+](=O)[O-])CC1 ZINC000930760197 639899597 /nfs/dbraw/zinc/89/95/97/639899597.db2.gz SNIWPGPSFQKCJO-UHFFFAOYSA-N 0 3 245.323 0.306 20 5 BCBDHN O=[N+]([O-])CCN1CCCCC[C@@H]1CO ZINC000930866574 639960213 /nfs/dbraw/zinc/96/02/13/639960213.db2.gz DANZLQHFASKMPB-SECBINFHSA-N 0 3 202.254 0.500 20 5 BCBDHN C[C@@]12COC[C@@H]1CN(CC[N+](=O)[O-])C2 ZINC000931021615 640027097 /nfs/dbraw/zinc/02/70/97/640027097.db2.gz ZUGSCRWKQKZVSL-DTWKUNHWSA-N 0 3 200.238 0.231 20 5 BCBDHN C[C@@H](Cc1cccnc1)NCC[N+](=O)[O-] ZINC000934225257 641105534 /nfs/dbraw/zinc/10/55/34/641105534.db2.gz KMMLCEPTCDOTSU-VIFPVBQESA-N 0 3 209.249 0.879 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCOC12CCOCC2 ZINC000934399850 641140936 /nfs/dbraw/zinc/14/09/36/641140936.db2.gz PSZYDPCEYABBOL-VIFPVBQESA-N 0 3 230.264 0.191 20 5 BCBDHN C[C@H](NC[C@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282425 641422443 /nfs/dbraw/zinc/42/24/43/641422443.db2.gz VUFZORXZPQNCPX-KWQFWETISA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@H](NC[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282196 641423055 /nfs/dbraw/zinc/42/30/55/641423055.db2.gz RTONMFMKKNKTRV-GZMMTYOYSA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042204939 398331092 /nfs/dbraw/zinc/33/10/92/398331092.db2.gz PUTWBKLEISVJKS-ZCFIWIBFSA-N 0 3 209.205 0.881 20 5 BCBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C ZINC000046381338 343136291 /nfs/dbraw/zinc/13/62/91/343136291.db2.gz NOBMOCUZWGVQKZ-SSDOTTSWSA-N 0 3 240.263 0.603 20 5 BCBDHN O=[N+]([O-])c1cnn(CCNCC2(F)CC2)c1 ZINC000381621449 344526915 /nfs/dbraw/zinc/52/69/15/344526915.db2.gz ZWXWKBIZOBVXOE-UHFFFAOYSA-N 0 3 228.227 0.883 20 5 BCBDHN CN(C)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000611414273 344535270 /nfs/dbraw/zinc/53/52/70/344535270.db2.gz OTHGGLFWNQVDTI-UHFFFAOYSA-N 0 3 222.248 0.740 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000589101489 346664619 /nfs/dbraw/zinc/66/46/19/346664619.db2.gz HEIKDRFJYAUCQF-MRVPVSSYSA-N 0 3 240.263 0.324 20 5 BCBDHN CC[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594648650 348087532 /nfs/dbraw/zinc/08/75/32/348087532.db2.gz CUDPVNXMYVEMHC-MRVPVSSYSA-N 0 3 248.246 0.980 20 5 BCBDHN CN(C)C[C@H](CO)Nc1cccnc1[N+](=O)[O-] ZINC000596245300 348485818 /nfs/dbraw/zinc/48/58/18/348485818.db2.gz XCHGSAZZQNXMOU-MRVPVSSYSA-N 0 3 240.263 0.324 20 5 BCBDHN CN(C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042566550 323250116 /nfs/dbraw/zinc/25/01/16/323250116.db2.gz IJDDTNCRVBHRSO-UHFFFAOYSA-N 0 3 243.288 0.948 20 5 BCBDHN CNC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000044988743 187950525 /nfs/dbraw/zinc/95/05/25/187950525.db2.gz CFWFBWFLUFEICO-UHFFFAOYSA-N 0 3 237.259 0.821 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000035121800 355835098 /nfs/dbraw/zinc/83/50/98/355835098.db2.gz IGPYINNOISBOCJ-UHFFFAOYSA-N 0 3 239.279 0.834 20 5 BCBDHN NC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048027103 181270852 /nfs/dbraw/zinc/27/08/52/181270852.db2.gz PTNUIXDSJOABNI-SNVBAGLBSA-N 0 3 249.270 0.902 20 5 BCBDHN O=[N+]([O-])c1ccc(CCNC(CO)CO)cc1 ZINC000087752846 541423148 /nfs/dbraw/zinc/42/31/48/541423148.db2.gz GWWWZQJWRROEMW-UHFFFAOYSA-N 0 3 240.259 0.080 20 5 BCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351808706 371662002 /nfs/dbraw/zinc/66/20/02/371662002.db2.gz KGUYTYPZRMZPCZ-WPRPVWTQSA-N 0 3 240.263 0.104 20 5 BCBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N(C)C ZINC000040454865 373276209 /nfs/dbraw/zinc/27/62/09/373276209.db2.gz MJZUSSBYPIIETB-SSDOTTSWSA-N 0 3 225.252 0.747 20 5 BCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@@H]1N ZINC000424087426 206028572 /nfs/dbraw/zinc/02/85/72/206028572.db2.gz HQMXVUPSBLGVGK-ZJUUUORDSA-N 0 3 249.270 0.900 20 5 BCBDHN CN(C)CCn1cccc([N+](=O)[O-])c1=O ZINC000102204213 384701719 /nfs/dbraw/zinc/70/17/19/384701719.db2.gz TVXQMCHXIATNNB-UHFFFAOYSA-N 0 3 211.221 0.318 20 5 BCBDHN C[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943183 386433975 /nfs/dbraw/zinc/43/39/75/386433975.db2.gz KQXYOMCEWZXKAE-SSDOTTSWSA-N 0 3 223.232 0.558 20 5 BCBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC2)c1 ZINC000266406686 386495303 /nfs/dbraw/zinc/49/53/03/386495303.db2.gz FXRZWLOUUFLMDZ-SNVBAGLBSA-N 0 3 240.263 0.248 20 5 BCBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO ZINC000292214714 386634378 /nfs/dbraw/zinc/63/43/78/386634378.db2.gz OPHGOWKHTDGNEP-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN CCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000293440842 386818058 /nfs/dbraw/zinc/81/80/58/386818058.db2.gz OPHGOWKHTDGNEP-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000267095943 386812961 /nfs/dbraw/zinc/81/29/61/386812961.db2.gz RMWUBLXXYRDREI-SECBINFHSA-N 0 3 240.263 0.512 20 5 BCBDHN C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346277516 387095088 /nfs/dbraw/zinc/09/50/88/387095088.db2.gz UGLLGMVLCUPMFY-SSDOTTSWSA-N 0 3 240.263 0.603 20 5 BCBDHN C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018556 387202404 /nfs/dbraw/zinc/20/24/04/387202404.db2.gz SMWXZFSOZVFWRA-ZETCQYMHSA-N 0 3 235.243 0.831 20 5 BCBDHN CCN(CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000347354399 387834025 /nfs/dbraw/zinc/83/40/25/387834025.db2.gz RXPSTVABYFCCTC-UHFFFAOYSA-N 0 3 242.279 0.760 20 5 BCBDHN C[C@@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000305458914 388369620 /nfs/dbraw/zinc/36/96/20/388369620.db2.gz UUPMSYKIEPKDQO-QMMMGPOBSA-N 0 3 228.252 0.104 20 5 BCBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299270453 388551122 /nfs/dbraw/zinc/55/11/22/388551122.db2.gz IZJXZQFTUPOLOE-UHFFFAOYSA-N 0 3 240.263 0.604 20 5 BCBDHN C[C@@H](CN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000130633648 388583060 /nfs/dbraw/zinc/58/30/60/388583060.db2.gz BHNLRGCEILHGEL-ZETCQYMHSA-N 0 3 225.252 0.747 20 5 BCBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)CCN1 ZINC000052783571 132362498 /nfs/dbraw/zinc/36/24/98/132362498.db2.gz VMUHWDHQIDLPNI-MRVPVSSYSA-N 0 3 222.248 0.788 20 5 BCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000351951576 134016765 /nfs/dbraw/zinc/01/67/65/134016765.db2.gz LNHOCVWEZTXBLO-BDAKNGLRSA-N 0 3 240.263 0.104 20 5 BCBDHN COc1ccc(CNCCO)cc1[N+](=O)[O-] ZINC000035598620 175106414 /nfs/dbraw/zinc/10/64/14/175106414.db2.gz SRPWVGPZMOXXAO-UHFFFAOYSA-N 0 3 226.232 0.685 20 5 BCBDHN C[C@@H](CC(N)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000135725341 175653430 /nfs/dbraw/zinc/65/34/30/175653430.db2.gz KFRMJCAQDJZZNS-QMMMGPOBSA-N 0 3 237.259 0.948 20 5 BCBDHN C[C@H]1C[C@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000340906174 177373229 /nfs/dbraw/zinc/37/32/29/177373229.db2.gz KQWJTCSBJZROAM-WPRPVWTQSA-N 0 3 240.263 0.246 20 5 BCBDHN COCCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112077 582589021 /nfs/dbraw/zinc/58/90/21/582589021.db2.gz ZHJCIXSBXZPOEX-MRVPVSSYSA-N 0 3 235.236 0.248 20 5 BCBDHN CC(COC(=O)[C@H]1CCN(C)C(=O)C1)[N+](=O)[O-] ZINC000813112593 582589366 /nfs/dbraw/zinc/58/93/66/582589366.db2.gz IXPPIOBDQQYNAQ-SFYZADRCSA-N 0 3 244.247 0.063 20 5 BCBDHN CC(COC(=O)[C@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000813112167 582589765 /nfs/dbraw/zinc/58/97/65/582589765.db2.gz CWMOMKFAYRYZIT-JGVFFNPUSA-N 0 3 241.247 0.732 20 5 BCBDHN CC(COC(=O)[C@H]1C[C@H](C)CO1)[N+](=O)[O-] ZINC000893047268 583037902 /nfs/dbraw/zinc/03/79/02/583037902.db2.gz LPODQNDAPJASTK-BIIVOSGPSA-N 0 3 217.221 0.620 20 5 BCBDHN C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CCN1C ZINC000895734681 583717117 /nfs/dbraw/zinc/71/71/17/583717117.db2.gz PRBUFDJXDKFONR-SFYZADRCSA-N 0 3 239.279 0.833 20 5 BCBDHN C[C@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123552218 583905012 /nfs/dbraw/zinc/90/50/12/583905012.db2.gz CKSGTKUCAKQJDU-LDYMZIIASA-N 0 3 240.259 0.599 20 5 BCBDHN CC(COC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2)[N+](=O)[O-] ZINC000838965735 585082498 /nfs/dbraw/zinc/08/24/98/585082498.db2.gz YMXRAEJHIXPXPQ-MAUMQABQSA-N 0 3 241.243 0.810 20 5 BCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2C[C@H]21 ZINC000761716227 585418168 /nfs/dbraw/zinc/41/81/68/585418168.db2.gz ZIWZEHTZIWOGNN-GXSJLCMTSA-N 0 3 249.270 0.851 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@]2(CCOC2)C1 ZINC000791052407 585972529 /nfs/dbraw/zinc/97/25/29/585972529.db2.gz NBVMHELPVAHYDU-VIFPVBQESA-N 0 3 200.238 0.376 20 5 BCBDHN COC(=O)CCN(CC[N+](=O)[O-])CC(C)C ZINC000791051608 585972928 /nfs/dbraw/zinc/97/29/28/585972928.db2.gz GMSGUSKRUAFJBG-UHFFFAOYSA-N 0 3 232.280 0.784 20 5 BCBDHN CC(COC(=O)Cc1cccnc1)[N+](=O)[O-] ZINC000813099707 586591767 /nfs/dbraw/zinc/59/17/67/586591767.db2.gz AVYJRHFCAHPHEF-MRVPVSSYSA-N 0 3 224.216 0.833 20 5 BCBDHN CC(COC(=O)C[C@H]1CCCO1)[N+](=O)[O-] ZINC000813106577 586592704 /nfs/dbraw/zinc/59/27/04/586592704.db2.gz FFEDHCVFUIQQCA-JGVFFNPUSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)c1ccc(=O)n(C)c1)[N+](=O)[O-] ZINC000813108008 586592758 /nfs/dbraw/zinc/59/27/58/586592758.db2.gz SYAKIXLYMJJDTP-SSDOTTSWSA-N 0 3 240.215 0.207 20 5 BCBDHN CC(COC(=O)C[C@H]1CCCO1)[N+](=O)[O-] ZINC000813106576 586592832 /nfs/dbraw/zinc/59/28/32/586592832.db2.gz FFEDHCVFUIQQCA-HTQZYQBOSA-N 0 3 217.221 0.764 20 5 BCBDHN CCOCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813106926 586592850 /nfs/dbraw/zinc/59/28/50/586592850.db2.gz ICLSQMVMEXUGCI-ZETCQYMHSA-N 0 3 205.210 0.621 20 5 BCBDHN CC(COC(=O)CCCCC(N)=O)[N+](=O)[O-] ZINC000813107164 586592886 /nfs/dbraw/zinc/59/28/86/586592886.db2.gz LIWFWGXZODRYRL-ZETCQYMHSA-N 0 3 232.236 0.241 20 5 BCBDHN CCNC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108738 586593149 /nfs/dbraw/zinc/59/31/49/586593149.db2.gz LHGUAJQKQXNWND-QMMMGPOBSA-N 0 3 246.263 0.501 20 5 BCBDHN CC(COC(=O)c1ccnn1C)[N+](=O)[O-] ZINC000813108886 586593171 /nfs/dbraw/zinc/59/31/71/586593171.db2.gz BPXAFAAIPIAIQZ-LURJTMIESA-N 0 3 213.193 0.242 20 5 BCBDHN COC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109758 586593203 /nfs/dbraw/zinc/59/32/03/586593203.db2.gz WDIOMXPRWDYOIZ-YUMQZZPRSA-N 0 3 219.237 0.867 20 5 BCBDHN CCCC(=O)NCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109325 586593289 /nfs/dbraw/zinc/59/32/89/586593289.db2.gz ICMWDHMBJGQJIC-SSDOTTSWSA-N 0 3 232.236 0.111 20 5 BCBDHN CC(COC(=O)[C@@H]1C[C@@]12CCOC2)[N+](=O)[O-] ZINC000813109327 586593325 /nfs/dbraw/zinc/59/33/25/586593325.db2.gz ICMWJWRXTZIKDE-KHQFGBGNSA-N 0 3 229.232 0.621 20 5 BCBDHN CC(COC(=O)[C@]1(C)CCC(=O)NC1)[N+](=O)[O-] ZINC000813111562 586593463 /nfs/dbraw/zinc/59/34/63/586593463.db2.gz UWJCOVOEGRDDJV-OIBJUYFYSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)c1cccn(C)c1=O)[N+](=O)[O-] ZINC000813112005 586593483 /nfs/dbraw/zinc/59/34/83/586593483.db2.gz MHPNXYWYPSSYOU-SSDOTTSWSA-N 0 3 240.215 0.207 20 5 BCBDHN CCn1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110514 586593591 /nfs/dbraw/zinc/59/35/91/586593591.db2.gz CDZPLBGWWZEHBQ-ZETCQYMHSA-N 0 3 227.220 0.725 20 5 BCBDHN Cc1ocnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110806 586593693 /nfs/dbraw/zinc/59/36/93/586593693.db2.gz JVDGJDUMCTZZGM-YFKPBYRVSA-N 0 3 214.177 0.805 20 5 BCBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1CC1 ZINC000813115202 586594271 /nfs/dbraw/zinc/59/42/71/586594271.db2.gz MSLCTDXRVSGRFB-POYBYMJQSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)[C@@H]1CCNC(=O)CC1)[N+](=O)[O-] ZINC000816091168 586707286 /nfs/dbraw/zinc/70/72/86/586707286.db2.gz NHUCBXPWFFBTLN-SFYZADRCSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)c1cc(Cl)n(C)n1)[N+](=O)[O-] ZINC000835455761 587803065 /nfs/dbraw/zinc/80/30/65/587803065.db2.gz OOMOFYIGKUDESP-RXMQYKEDSA-N 0 3 247.638 0.896 20 5 BCBDHN C[C@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843059825 588078191 /nfs/dbraw/zinc/07/81/91/588078191.db2.gz OJAFNLIOASTPDW-LDYMZIIASA-N 0 3 240.259 0.599 20 5 BCBDHN COC/C(C)=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000845577602 588233814 /nfs/dbraw/zinc/23/38/14/588233814.db2.gz XNDRZDSKYLHENE-IPWDFOCMSA-N 0 3 217.221 0.788 20 5 BCBDHN CC(=O)NCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000845577601 588233851 /nfs/dbraw/zinc/23/38/51/588233851.db2.gz XNDCUBPKHHCXLL-ZETCQYMHSA-N 0 3 246.263 0.357 20 5 BCBDHN COC1CC(C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000860777638 589119396 /nfs/dbraw/zinc/11/93/96/589119396.db2.gz RXJBLMLWVYJIIX-JECWYVHBSA-N 0 3 217.221 0.620 20 5 BCBDHN CN(C)CCc1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864641973 589386995 /nfs/dbraw/zinc/38/69/95/589386995.db2.gz FGLDAUJMBUVTLB-UHFFFAOYSA-N 0 3 241.295 0.438 20 5 BCBDHN COc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377375 589661524 /nfs/dbraw/zinc/66/15/24/589661524.db2.gz QGUOWLNFDKEQNK-ZETCQYMHSA-N 0 3 240.215 0.912 20 5 BCBDHN CC[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870377266 589661700 /nfs/dbraw/zinc/66/17/00/589661700.db2.gz PLRLOWHPLLZVMQ-OIBJUYFYSA-N 0 3 244.247 0.111 20 5 BCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886345066 592212830 /nfs/dbraw/zinc/21/28/30/592212830.db2.gz RANSACYAABXZND-AOOOYVTPSA-N 0 3 249.270 0.708 20 5 BCBDHN Cc1ncc2c(n1)CC[C@H](NCC[N+](=O)[O-])C2 ZINC000905040276 637558476 /nfs/dbraw/zinc/55/84/76/637558476.db2.gz LYIZBIYLLBSNKF-JTQLQIEISA-N 0 3 236.275 0.509 20 5 BCBDHN NC(=O)c1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905080584 637580971 /nfs/dbraw/zinc/58/09/71/637580971.db2.gz CTTAGTBIGQXBBW-UHFFFAOYSA-N 0 3 237.259 0.194 20 5 BCBDHN CC[S@](=O)[C@@H]1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905153477 637636712 /nfs/dbraw/zinc/63/67/12/637636712.db2.gz FMSAUELFMIYQHK-IEVXNVSRSA-N 0 3 248.348 0.933 20 5 BCBDHN Cc1ncc(CCNCC[N+](=O)[O-])s1 ZINC000905178458 637685258 /nfs/dbraw/zinc/68/52/58/637685258.db2.gz WYXDDHAHXBHOJZ-UHFFFAOYSA-N 0 3 215.278 0.860 20 5 BCBDHN CO[C@@](C)(CNCC[N+](=O)[O-])C1CC1 ZINC000905262964 637717953 /nfs/dbraw/zinc/71/79/53/637717953.db2.gz NQPYSWGLOSKMQB-VIFPVBQESA-N 0 3 202.254 0.668 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccco1 ZINC000905342942 637782195 /nfs/dbraw/zinc/78/21/95/637782195.db2.gz DWQMIVUYDDBDTN-VIFPVBQESA-N 0 3 228.248 0.297 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](O)C1CCCCC1 ZINC000905342352 637782552 /nfs/dbraw/zinc/78/25/52/637782552.db2.gz WHTAHRGKNGETSC-SNVBAGLBSA-N 0 3 216.281 0.794 20 5 BCBDHN C[C@@H](NCC[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000905362895 637788142 /nfs/dbraw/zinc/78/81/42/637788142.db2.gz BJBOFDNWCXNVCF-PWSUYJOCSA-N 0 3 238.287 0.845 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1cccnc1 ZINC000905364916 637788265 /nfs/dbraw/zinc/78/82/65/637788265.db2.gz HGDPZAYUWBSARX-LLVKDONJSA-N 0 3 239.275 0.099 20 5 BCBDHN CC(C)(C)C[C@@H](CO)NCC[N+](=O)[O-] ZINC000905367093 637789582 /nfs/dbraw/zinc/78/95/82/637789582.db2.gz IDWSRUIAAJMLEA-QMMMGPOBSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCN[C@@H](CO)CCc1ccccc1 ZINC000905543777 637841084 /nfs/dbraw/zinc/84/10/84/637841084.db2.gz PZHSOWNKKDETNX-GFCCVEGCSA-N 0 3 238.287 0.846 20 5 BCBDHN CC(C)O[C@@]1(CNCC[N+](=O)[O-])CCOC1 ZINC000905559544 637847163 /nfs/dbraw/zinc/84/71/63/637847163.db2.gz YBMBHGVEYBGUGS-SNVBAGLBSA-N 0 3 232.280 0.437 20 5 BCBDHN C[C@@]1(O)CCCN(CC[N+](=O)[O-])CC1 ZINC000930279237 639679021 /nfs/dbraw/zinc/67/90/21/639679021.db2.gz LTTRJDKTMQVGDX-SECBINFHSA-N 0 3 202.254 0.500 20 5 BCBDHN O=[N+]([O-])CCN1CCC2(CC1)OCCCO2 ZINC000930580696 639813546 /nfs/dbraw/zinc/81/35/46/639813546.db2.gz NYXSRGSMTPWXHH-UHFFFAOYSA-N 0 3 230.264 0.492 20 5 BCBDHN CO[C@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930628771 639831032 /nfs/dbraw/zinc/83/10/32/639831032.db2.gz OYDUKOXFMNRASP-YUMQZZPRSA-N 0 3 202.254 0.666 20 5 BCBDHN C[C@]12COC[C@@H]1CN(CC[N+](=O)[O-])C2 ZINC000931021616 640026671 /nfs/dbraw/zinc/02/66/71/640026671.db2.gz ZUGSCRWKQKZVSL-IUCAKERBSA-N 0 3 200.238 0.231 20 5 BCBDHN O=[N+]([O-])CCN[C@]12CCC[C@H]1OCC2 ZINC000931564839 640275554 /nfs/dbraw/zinc/27/55/54/640275554.db2.gz UWQZZZCPNGHHLN-BDAKNGLRSA-N 0 3 200.238 0.564 20 5 BCBDHN CC(C)CN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030294716 640736762 /nfs/dbraw/zinc/73/67/62/640736762.db2.gz RMDFUUPTPMYVNA-NXEZZACHSA-N 0 3 241.291 0.108 20 5 BCBDHN C[C@H](O)[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000929594945 646191065 /nfs/dbraw/zinc/19/10/65/646191065.db2.gz KRARSPJDAIKJPF-IUCAKERBSA-N 0 3 202.254 0.498 20 5 BCBDHN C[C@H](O)[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000717391493 712653890 /nfs/dbraw/zinc/65/38/90/712653890.db2.gz BAPPIFFPHYFFPM-GZMMTYOYSA-N 0 3 240.259 0.426 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@@H](CO)CC1 ZINC000930590685 712713049 /nfs/dbraw/zinc/71/30/49/712713049.db2.gz WSYJFQKNYZGZOK-SECBINFHSA-N 0 3 202.254 0.358 20 5 BCBDHN CCCCN1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001030293500 711830437 /nfs/dbraw/zinc/83/04/37/711830437.db2.gz MSDNPXNXHYHCRG-NXEZZACHSA-N 0 3 241.291 0.252 20 5 BCBDHN Cc1nn(CCN(C)C)c(C)c1[N+](=O)[O-] ZINC000060888318 398326404 /nfs/dbraw/zinc/32/64/04/398326404.db2.gz WWMPYPMQSWPLHS-UHFFFAOYSA-N 0 3 212.253 0.970 20 5 BCBDHN CC(C)[C@@H](CO)NCc1c([N+](=O)[O-])ncn1C ZINC000362188530 398334188 /nfs/dbraw/zinc/33/41/88/398334188.db2.gz HXYLITFRQVQJGM-MRVPVSSYSA-N 0 3 242.279 0.435 20 5 BCBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000080685202 345431496 /nfs/dbraw/zinc/43/14/96/345431496.db2.gz YBXHUQZLTMSNIW-UHFFFAOYSA-N 0 3 224.264 0.988 20 5 BCBDHN CN(C)CCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000309729278 347148180 /nfs/dbraw/zinc/14/81/80/347148180.db2.gz DYQRSAWDIYIMKH-UHFFFAOYSA-N 0 3 225.252 0.546 20 5 BCBDHN Cc1nn(C)c(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000271700305 180354696 /nfs/dbraw/zinc/35/46/96/180354696.db2.gz CSEBDZJWONNDAP-UHFFFAOYSA-N 0 3 239.279 0.387 20 5 BCBDHN CN1CC[C@@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000191094363 357749589 /nfs/dbraw/zinc/74/95/89/357749589.db2.gz XOYRELGMCXSHOE-MRVPVSSYSA-N 0 3 210.237 0.743 20 5 BCBDHN CN[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000054076879 359001845 /nfs/dbraw/zinc/00/18/45/359001845.db2.gz PAIJSYPSERRUDP-QMMMGPOBSA-N 0 3 237.259 0.819 20 5 BCBDHN CC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015957 383887839 /nfs/dbraw/zinc/88/78/39/383887839.db2.gz RDPNPPMDZXFNTG-VIFPVBQESA-N 0 3 237.259 0.948 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](C)O ZINC000051837526 385947563 /nfs/dbraw/zinc/94/75/63/385947563.db2.gz PFNLHGGMZCPNRP-MRVPVSSYSA-N 0 3 242.279 0.412 20 5 BCBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CO)c1 ZINC000052926370 386370903 /nfs/dbraw/zinc/37/09/03/386370903.db2.gz CMOIVBJVAVTHME-JTQLQIEISA-N 0 3 226.232 0.038 20 5 BCBDHN Cn1cccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151255410 386466785 /nfs/dbraw/zinc/46/67/85/386466785.db2.gz SXRBOBBGSKOIHE-UHFFFAOYSA-N 0 3 249.274 0.920 20 5 BCBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N(C)C ZINC000040454862 387666938 /nfs/dbraw/zinc/66/69/38/387666938.db2.gz MJZUSSBYPIIETB-ZETCQYMHSA-N 0 3 225.252 0.747 20 5 BCBDHN CN(CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353187426 388368788 /nfs/dbraw/zinc/36/87/88/388368788.db2.gz WXUDYUPOPIAIBL-UHFFFAOYSA-N 0 3 237.259 0.902 20 5 BCBDHN C[C@H](Cn1cccc([N+](=O)[O-])c1=O)N(C)C ZINC000330884989 388761107 /nfs/dbraw/zinc/76/11/07/388761107.db2.gz PYAPPYFLPUFFFG-MRVPVSSYSA-N 0 3 225.248 0.707 20 5 BCBDHN CN(C)[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273615187 397747367 /nfs/dbraw/zinc/74/73/67/397747367.db2.gz MZOJHAOWFABNNW-QMMMGPOBSA-N 0 3 237.263 0.525 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2CO)c1 ZINC000174867917 398015783 /nfs/dbraw/zinc/01/57/83/398015783.db2.gz LUEJVRGUXMHUKH-SECBINFHSA-N 0 3 240.263 0.248 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCO ZINC000049633650 411241906 /nfs/dbraw/zinc/24/19/06/411241906.db2.gz BTMTYNLABJAJKZ-UHFFFAOYSA-N 0 3 228.252 0.024 20 5 BCBDHN CN(C)CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000390301667 411910515 /nfs/dbraw/zinc/91/05/15/411910515.db2.gz CQVFUILPEGPTFI-UHFFFAOYSA-N 0 3 243.292 0.621 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCN(C)C1 ZINC000037647703 173146686 /nfs/dbraw/zinc/14/66/86/173146686.db2.gz RLDZWZHEMRZFFG-MRVPVSSYSA-N 0 3 239.279 0.692 20 5 BCBDHN CNCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668497 173329858 /nfs/dbraw/zinc/32/98/58/173329858.db2.gz FJYAVCOCBNOVEB-UHFFFAOYSA-N 0 3 223.232 0.430 20 5 BCBDHN NCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000570721787 323068637 /nfs/dbraw/zinc/06/86/37/323068637.db2.gz GPOXPPJLFMTLLA-UHFFFAOYSA-N 0 3 239.231 0.049 20 5 BCBDHN NCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000563080182 323087735 /nfs/dbraw/zinc/08/77/35/323087735.db2.gz JBSLPBPCRQVHBB-UHFFFAOYSA-N 0 3 217.612 0.369 20 5 BCBDHN COC(=O)NCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000496665956 534105605 /nfs/dbraw/zinc/10/56/05/534105605.db2.gz FXCGMRIDWCTKRX-SSDOTTSWSA-N 0 3 248.235 0.331 20 5 BCBDHN Cc1ncc(CC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000893047245 583037970 /nfs/dbraw/zinc/03/79/70/583037970.db2.gz KRFRDAIGPIEXIR-ZCFIWIBFSA-N 0 3 228.204 0.734 20 5 BCBDHN CC(COC(=O)Cc1cscn1)[N+](=O)[O-] ZINC000853128036 588721992 /nfs/dbraw/zinc/72/19/92/588721992.db2.gz XCIJHBFNWTZGIS-LURJTMIESA-N 0 3 230.245 0.894 20 5 BCBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C ZINC000813102235 582580221 /nfs/dbraw/zinc/58/02/21/582580221.db2.gz CGFNAUUPVMHAHT-IUCAKERBSA-N 0 3 232.280 0.781 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813101595 582580251 /nfs/dbraw/zinc/58/02/51/582580251.db2.gz DUZSWCHZFAOYBY-SFYZADRCSA-N 0 3 219.237 0.866 20 5 BCBDHN CN1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892007430 582760733 /nfs/dbraw/zinc/76/07/33/582760733.db2.gz IYZYJSSUOKMMHC-MRVPVSSYSA-N 0 3 239.279 0.834 20 5 BCBDHN CC(C)CN1CCO[C@@H](CNCC[N+](=O)[O-])C1 ZINC000899875786 584245053 /nfs/dbraw/zinc/24/50/53/584245053.db2.gz IJBGTJCXSMVSLV-NSHDSACASA-N 0 3 245.323 0.210 20 5 BCBDHN CC(COC(=O)c1cncs1)[N+](=O)[O-] ZINC000797279292 586124808 /nfs/dbraw/zinc/12/48/08/586124808.db2.gz KJOCWKBIKVHWDN-RXMQYKEDSA-N 0 3 216.218 0.965 20 5 BCBDHN CC(COC(=O)C[C@@H]1CCCC(=O)N1)[N+](=O)[O-] ZINC000813102913 586592142 /nfs/dbraw/zinc/59/21/42/586592142.db2.gz LOEFKHOYSXGHGM-SFYZADRCSA-N 0 3 244.247 0.254 20 5 BCBDHN CC[C@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101828 586592176 /nfs/dbraw/zinc/59/21/76/586592176.db2.gz JLCHQNIANPKPDW-BQBZGAKWSA-N 0 3 205.210 0.620 20 5 BCBDHN CC(COC(=O)c1ccnn1C)[N+](=O)[O-] ZINC000813108887 586593169 /nfs/dbraw/zinc/59/31/69/586593169.db2.gz BPXAFAAIPIAIQZ-ZCFIWIBFSA-N 0 3 213.193 0.242 20 5 BCBDHN CCNC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108734 586593249 /nfs/dbraw/zinc/59/32/49/586593249.db2.gz LHGUAJQKQXNWND-MRVPVSSYSA-N 0 3 246.263 0.501 20 5 BCBDHN COc1cncc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813108560 586593295 /nfs/dbraw/zinc/59/32/95/586593295.db2.gz HNFVHCDZTGCUIG-LURJTMIESA-N 0 3 241.203 0.307 20 5 BCBDHN COC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109755 586593305 /nfs/dbraw/zinc/59/33/05/586593305.db2.gz WDIOMXPRWDYOIZ-HTQZYQBOSA-N 0 3 219.237 0.867 20 5 BCBDHN CCC(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111802 586593565 /nfs/dbraw/zinc/59/35/65/586593565.db2.gz XOBCNTOJEQQDLQ-NKWVEPMBSA-N 0 3 232.236 0.110 20 5 BCBDHN CCn1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110513 586593583 /nfs/dbraw/zinc/59/35/83/586593583.db2.gz CDZPLBGWWZEHBQ-SSDOTTSWSA-N 0 3 227.220 0.725 20 5 BCBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])COC1 ZINC000813111672 586593653 /nfs/dbraw/zinc/59/36/53/586593653.db2.gz KETWQNGGQQWYGE-SSDOTTSWSA-N 0 3 217.221 0.621 20 5 BCBDHN COCc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813115432 586594421 /nfs/dbraw/zinc/59/44/21/586594421.db2.gz RWFKNINLKBVDHM-ZCFIWIBFSA-N 0 3 244.203 0.643 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1CCOC1 ZINC000851036254 588585440 /nfs/dbraw/zinc/58/54/40/588585440.db2.gz GBMQHTYTDAVCCB-CIUDSAMLSA-N 0 3 247.247 0.246 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@@H]1CCOC1 ZINC000851036255 588585536 /nfs/dbraw/zinc/58/55/36/588585536.db2.gz GBMQHTYTDAVCCB-HLTSFMKQSA-N 0 3 247.247 0.246 20 5 BCBDHN CC(COC(=O)c1c(Cl)cnn1C)[N+](=O)[O-] ZINC000851037622 588586108 /nfs/dbraw/zinc/58/61/08/588586108.db2.gz YGUROLGQKIXMMR-YFKPBYRVSA-N 0 3 247.638 0.896 20 5 BCBDHN CC[C@H](NC(C)=O)C(=O)OCC(C)[N+](=O)[O-] ZINC000870378847 589661395 /nfs/dbraw/zinc/66/13/95/589661395.db2.gz YEUWITWOWSCUFB-SVRRBLITSA-N 0 3 232.236 0.110 20 5 BCBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cn1 ZINC000884823809 592022587 /nfs/dbraw/zinc/02/25/87/592022587.db2.gz GAUSHPDAVDZUTE-UHFFFAOYSA-N 0 3 240.263 0.326 20 5 BCBDHN CN(CCO)CCNc1ccsc1[N+](=O)[O-] ZINC000884823811 592022774 /nfs/dbraw/zinc/02/27/74/592022774.db2.gz GBUPXQKXCJWERI-UHFFFAOYSA-N 0 3 245.304 0.992 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335910 592211810 /nfs/dbraw/zinc/21/18/10/592211810.db2.gz KANOWKDXVNTEBA-DTORHVGOSA-N 0 3 222.248 0.743 20 5 BCBDHN COC(=O)N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905080015 637580500 /nfs/dbraw/zinc/58/05/00/637580500.db2.gz ATLKTFHHNKBLTI-QMMMGPOBSA-N 0 3 231.252 0.084 20 5 BCBDHN CN(CCNCC[N+](=O)[O-])CC(F)(F)F ZINC000905109222 637615364 /nfs/dbraw/zinc/61/53/64/637615364.db2.gz JOTPEZKPORZZSK-UHFFFAOYSA-N 0 3 229.202 0.347 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CSCCS1 ZINC000905159061 637639429 /nfs/dbraw/zinc/63/94/29/637639429.db2.gz IRYVFRMYIUZTEQ-ZETCQYMHSA-N 0 3 222.335 0.701 20 5 BCBDHN CC1(C)CC[C@H](CNCC[N+](=O)[O-])O1 ZINC000905234069 637720567 /nfs/dbraw/zinc/72/05/67/637720567.db2.gz YECVSHGHRWWSGC-MRVPVSSYSA-N 0 3 202.254 0.810 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](CO)c1ccccc1 ZINC000905351503 637770943 /nfs/dbraw/zinc/77/09/43/637770943.db2.gz TZJLGAKUHXQMLI-NSHDSACASA-N 0 3 224.260 0.629 20 5 BCBDHN CC[C@H](C)C[C@@H](CO)NCC[N+](=O)[O-] ZINC000905358832 637777577 /nfs/dbraw/zinc/77/75/77/637777577.db2.gz QUPDIUNWGDLYDG-IUCAKERBSA-N 0 3 204.270 0.650 20 5 BCBDHN CCC(CC)(CO)CNCC[N+](=O)[O-] ZINC000905365718 637787716 /nfs/dbraw/zinc/78/77/16/637787716.db2.gz DTLCGRHCNWAWKS-UHFFFAOYSA-N 0 3 204.270 0.651 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](CO)c1ccc(F)cc1 ZINC000905368420 637789694 /nfs/dbraw/zinc/78/96/94/637789694.db2.gz QOGUAJVGNYQDOZ-SNVBAGLBSA-N 0 3 242.250 0.768 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CC[C@@H](C2CC2)O1 ZINC000905647870 637882256 /nfs/dbraw/zinc/88/22/56/637882256.db2.gz JEUKBNSRQYXPPE-ZJUUUORDSA-N 0 3 214.265 0.810 20 5 BCBDHN C[C@@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971883 637985547 /nfs/dbraw/zinc/98/55/47/637985547.db2.gz DNEGIIJBUOQSEN-SCZZXKLOSA-N 0 3 240.263 0.246 20 5 BCBDHN C[C@H](CO)N(CC[N+](=O)[O-])CC1CCC1 ZINC000930292790 639677557 /nfs/dbraw/zinc/67/75/57/639677557.db2.gz JSJITCAPERVHQZ-SECBINFHSA-N 0 3 216.281 0.746 20 5 BCBDHN CCN1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930452498 639755758 /nfs/dbraw/zinc/75/57/58/639755758.db2.gz LXQQUZAYOGYMJP-SECBINFHSA-N 0 3 201.270 0.289 20 5 BCBDHN CCC[C@]1(NCC[N+](=O)[O-])CCOC1 ZINC000930462190 639764150 /nfs/dbraw/zinc/76/41/50/639764150.db2.gz XBCZIEPWKVSHGJ-VIFPVBQESA-N 0 3 202.254 0.812 20 5 BCBDHN Cc1c(CNCCO)cccc1[N+](=O)[O-] ZINC000035648925 639797330 /nfs/dbraw/zinc/79/73/30/639797330.db2.gz JILLYPMWAQOIGY-UHFFFAOYSA-N 0 3 210.233 0.985 20 5 BCBDHN CC[C@H]1CN(CC)CCN1CC[N+](=O)[O-] ZINC000930653778 639847047 /nfs/dbraw/zinc/84/70/47/639847047.db2.gz ZNLRBNREYSWVFH-JTQLQIEISA-N 0 3 215.297 0.679 20 5 BCBDHN C[C@H]1CN(CC[N+](=O)[O-])C[C@]1(C)CO ZINC000931065043 640054552 /nfs/dbraw/zinc/05/45/52/640054552.db2.gz DZFSHNCPGBYFJR-DTWKUNHWSA-N 0 3 202.254 0.213 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931504648 640235730 /nfs/dbraw/zinc/23/57/30/640235730.db2.gz JJHOAWUFGPDXDM-AXFHLTTASA-N 0 3 228.292 0.889 20 5 BCBDHN CN1CCC[C@H]1Cn1nccc1[N+](=O)[O-] ZINC000916723332 641970929 /nfs/dbraw/zinc/97/09/29/641970929.db2.gz REVAURBPWXGXDN-QMMMGPOBSA-N 0 3 210.237 0.886 20 5 BCBDHN CN1CCC[C@@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918387928 642196539 /nfs/dbraw/zinc/19/65/39/642196539.db2.gz USPAJLHWXHJZFN-MRVPVSSYSA-N 0 3 210.237 0.886 20 5 BCBDHN CCOC[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929780936 646307987 /nfs/dbraw/zinc/30/79/87/646307987.db2.gz SJSYKMNVKRPOEU-VIFPVBQESA-N 0 3 202.254 0.622 20 5 BCBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCC[N+](=O)[O-] ZINC000930104638 646435639 /nfs/dbraw/zinc/43/56/39/646435639.db2.gz CQJQQCRSELSTOL-MWLCHTKSSA-N 0 3 244.291 0.975 20 5 BCBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000719571360 712811056 /nfs/dbraw/zinc/81/10/56/712811056.db2.gz GTFKTSGVCGFRDA-APPZFPTMSA-N 0 3 237.263 0.889 20 5 BCBDHN C[C@@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000282785217 398318274 /nfs/dbraw/zinc/31/82/74/398318274.db2.gz NABHJMCVOFONMG-QMMMGPOBSA-N 0 3 228.252 0.104 20 5 BCBDHN CN(C)CCN(C)c1cccnc1[N+](=O)[O-] ZINC000610469408 343963835 /nfs/dbraw/zinc/96/38/35/343963835.db2.gz FKBJHSLUNGVJKN-UHFFFAOYSA-N 0 3 224.264 0.988 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000589102063 346664993 /nfs/dbraw/zinc/66/49/93/346664993.db2.gz YARFJISACXTXPG-SECBINFHSA-N 0 3 239.275 0.929 20 5 BCBDHN O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@H](C2)N3)nc1 ZINC000591435835 347659829 /nfs/dbraw/zinc/65/98/29/347659829.db2.gz SXGUBGOOGQFYDQ-DTORHVGOSA-N 0 3 249.274 0.716 20 5 BCBDHN NC(=O)[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000593670130 347925089 /nfs/dbraw/zinc/92/50/89/347925089.db2.gz LWMSLSISKKBEJG-AOOOYVTPSA-N 0 3 249.270 0.948 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])nc1 ZINC000596242970 348485389 /nfs/dbraw/zinc/48/53/89/348485389.db2.gz HPPWBEFRMAJCPQ-SECBINFHSA-N 0 3 240.263 0.324 20 5 BCBDHN C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159605263 350933453 /nfs/dbraw/zinc/93/34/53/350933453.db2.gz DGYNVXZXUNFEIQ-MRVPVSSYSA-N 0 3 249.270 0.827 20 5 BCBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000344005657 351007776 /nfs/dbraw/zinc/00/77/76/351007776.db2.gz MPNHSCIOSJWWDK-UHFFFAOYSA-N 0 3 240.263 0.225 20 5 BCBDHN O=[N+]([O-])c1cnn(CCNCc2cn[nH]c2)c1 ZINC000610890157 358227311 /nfs/dbraw/zinc/22/73/11/358227311.db2.gz LFWLBCJETVSPNN-UHFFFAOYSA-N 0 3 236.235 0.304 20 5 BCBDHN O=C1CC[C@@H](CNCc2cccc([N+](=O)[O-])c2)N1 ZINC000079926629 370704789 /nfs/dbraw/zinc/70/47/89/370704789.db2.gz GGDVFXROTSLHOU-JTQLQIEISA-N 0 3 249.270 0.963 20 5 BCBDHN O=C1NCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000602716943 371832888 /nfs/dbraw/zinc/83/28/88/371832888.db2.gz VWKNJERNXHPDGJ-NSHDSACASA-N 0 3 249.270 0.615 20 5 BCBDHN C[C@@H](CO)[C@@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602554347 371820193 /nfs/dbraw/zinc/82/01/93/371820193.db2.gz HARXOXTULQFQCL-JGVFFNPUSA-N 0 3 242.279 0.435 20 5 BCBDHN C[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676251 373587453 /nfs/dbraw/zinc/58/74/53/373587453.db2.gz BVBTZWSINCTZNT-MRVPVSSYSA-N 0 3 237.259 0.601 20 5 BCBDHN CN(C)CCNc1cccnc1[N+](=O)[O-] ZINC000156936463 383878331 /nfs/dbraw/zinc/87/83/31/383878331.db2.gz DHMDNIVPJDTDPM-UHFFFAOYSA-N 0 3 210.237 0.963 20 5 BCBDHN C[C@@H](O)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000175263356 383886634 /nfs/dbraw/zinc/88/66/34/383886634.db2.gz LKFPZKUMKWBAHF-MRVPVSSYSA-N 0 3 228.252 0.104 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285624992 384172885 /nfs/dbraw/zinc/17/28/85/384172885.db2.gz WUJWFEOYLXCCPA-UHFFFAOYSA-N 0 3 240.263 0.248 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610447938 384169622 /nfs/dbraw/zinc/16/96/22/384169622.db2.gz WWPKDJWAMJAASS-UHFFFAOYSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@@H](O)CCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176266789 384509561 /nfs/dbraw/zinc/50/95/61/384509561.db2.gz RFZVEDUYZCWIGU-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN CC(C)N(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000176364906 384527645 /nfs/dbraw/zinc/52/76/45/384527645.db2.gz IWIGIIMEXAFCMG-UHFFFAOYSA-N 0 3 242.279 0.494 20 5 BCBDHN CN(C)C1(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000397840587 385723717 /nfs/dbraw/zinc/72/37/17/385723717.db2.gz GNKBFDFKBDOBCN-UHFFFAOYSA-N 0 3 236.275 0.918 20 5 BCBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC2)c1 ZINC000266406685 386495536 /nfs/dbraw/zinc/49/55/36/386495536.db2.gz FXRZWLOUUFLMDZ-JTQLQIEISA-N 0 3 240.263 0.248 20 5 BCBDHN C[C@@H](O)CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000266920268 386694980 /nfs/dbraw/zinc/69/49/80/386694980.db2.gz IEYLMUUOVROIPH-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266922276 386719092 /nfs/dbraw/zinc/71/90/92/386719092.db2.gz IRDAMZYVEGNPLH-VIFPVBQESA-N 0 3 240.263 0.512 20 5 BCBDHN CO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000361384828 387452690 /nfs/dbraw/zinc/45/26/90/387452690.db2.gz MKENSFJTGYTISI-SECBINFHSA-N 0 3 240.263 0.512 20 5 BCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)CO ZINC000347500284 387993273 /nfs/dbraw/zinc/99/32/73/387993273.db2.gz HOSSJMPGMGKVQA-NSHDSACASA-N 0 3 240.259 0.346 20 5 BCBDHN CN(C)C1CN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193490058 388357181 /nfs/dbraw/zinc/35/71/81/388357181.db2.gz ZAYVTTWRPHAQCK-UHFFFAOYSA-N 0 3 236.275 0.927 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](CO)C2)c1 ZINC000304492548 388358824 /nfs/dbraw/zinc/35/88/24/388358824.db2.gz MHDJXPYFPWVLJE-VIFPVBQESA-N 0 3 240.263 0.106 20 5 BCBDHN CO[C@H](C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000353200115 388368741 /nfs/dbraw/zinc/36/87/41/388368741.db2.gz AVGVAPMDMULEBZ-SECBINFHSA-N 0 3 242.279 0.758 20 5 BCBDHN C[C@@H](Cn1cc([N+](=O)[O-])ccc1=O)N(C)C ZINC000330893536 388762185 /nfs/dbraw/zinc/76/21/85/388762185.db2.gz YVQZLMOGCJHODK-QMMMGPOBSA-N 0 3 225.248 0.707 20 5 BCBDHN C[C@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000284776182 388831850 /nfs/dbraw/zinc/83/18/50/388831850.db2.gz NABHJMCVOFONMG-MRVPVSSYSA-N 0 3 228.252 0.104 20 5 BCBDHN Cc1ccn(CCN(C)C)c(=O)c1[N+](=O)[O-] ZINC000129696731 388866263 /nfs/dbraw/zinc/86/62/63/388866263.db2.gz HUCORZIVHYKVCI-UHFFFAOYSA-N 0 3 225.248 0.627 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CCCC2)c1 ZINC000078387032 135122931 /nfs/dbraw/zinc/12/29/31/135122931.db2.gz KHMLDHDJKKOAIF-UHFFFAOYSA-N 0 3 210.237 0.887 20 5 BCBDHN CN[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000054077011 322855180 /nfs/dbraw/zinc/85/51/80/322855180.db2.gz CUWJUKPZWZPJFI-QMMMGPOBSA-N 0 3 237.259 0.819 20 5 BCBDHN O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)CN1 ZINC000110911229 397904563 /nfs/dbraw/zinc/90/45/63/397904563.db2.gz HMXKNAXIHNRPMY-SNVBAGLBSA-N 0 3 249.270 0.963 20 5 BCBDHN CCNCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943189 170109689 /nfs/dbraw/zinc/10/96/89/170109689.db2.gz CVTMVEXQHLLCDL-UHFFFAOYSA-N 0 3 237.259 0.821 20 5 BCBDHN CCc1nn(C)c(NCCN(C)C)c1[N+](=O)[O-] ZINC000091561442 172039410 /nfs/dbraw/zinc/03/94/10/172039410.db2.gz CEURVERBEPMPJA-UHFFFAOYSA-N 0 3 241.295 0.864 20 5 BCBDHN CN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230873037 173057021 /nfs/dbraw/zinc/05/70/21/173057021.db2.gz QMSUFCHWYGXGEG-QMMMGPOBSA-N 0 3 237.263 0.891 20 5 BCBDHN CNCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766531 173331535 /nfs/dbraw/zinc/33/15/35/173331535.db2.gz WOOZAOBKWMTLDP-QMMMGPOBSA-N 0 3 237.259 0.991 20 5 BCBDHN C[C@H](NCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293905813 176850780 /nfs/dbraw/zinc/85/07/80/176850780.db2.gz WRMWHYGSDABVER-ZETCQYMHSA-N 0 3 225.248 0.820 20 5 BCBDHN CC(COC(=O)CCOCC(F)F)[N+](=O)[O-] ZINC000813110534 586593657 /nfs/dbraw/zinc/59/36/57/586593657.db2.gz COYZUIOAXLMHFK-LURJTMIESA-N 0 3 241.190 0.867 20 5 BCBDHN COC/C(C)=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000845577604 588233800 /nfs/dbraw/zinc/23/38/00/588233800.db2.gz XNDRZDSKYLHENE-RBMBQVQZSA-N 0 3 217.221 0.788 20 5 BCBDHN CC[C@@](C)(CC(=O)OC)NCC[N+](=O)[O-] ZINC000930029446 646402529 /nfs/dbraw/zinc/40/25/29/646402529.db2.gz VNNTZLDQYYSJCS-VIFPVBQESA-N 0 3 218.253 0.585 20 5 BCBDHN CC(COC(=O)CNC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813113997 582591295 /nfs/dbraw/zinc/59/12/95/582591295.db2.gz KTQNDRVADGKGEO-ZETCQYMHSA-N 0 3 246.263 0.357 20 5 BCBDHN CN1C[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000893938824 583253588 /nfs/dbraw/zinc/25/35/88/583253588.db2.gz GJWHIWBZXXRDEQ-SCZZXKLOSA-N 0 3 249.274 0.525 20 5 BCBDHN CN1C[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893938821 583253702 /nfs/dbraw/zinc/25/37/02/583253702.db2.gz GJWHIWBZXXRDEQ-PSASIEDQSA-N 0 3 249.274 0.525 20 5 BCBDHN O=c1ccn(CCN2CCCC2)cc1[N+](=O)[O-] ZINC000776433356 585698681 /nfs/dbraw/zinc/69/86/81/585698681.db2.gz RRFRHCSKKASEST-UHFFFAOYSA-N 0 3 237.259 0.852 20 5 BCBDHN CC(COC(=O)Cn1cc(Cl)cn1)[N+](=O)[O-] ZINC000813101777 586592220 /nfs/dbraw/zinc/59/22/20/586592220.db2.gz IRCOOZLRMSLCQB-ZCFIWIBFSA-N 0 3 247.638 0.745 20 5 BCBDHN CC(COC(=O)COC1CCOCC1)[N+](=O)[O-] ZINC000813103799 586592488 /nfs/dbraw/zinc/59/24/88/586592488.db2.gz UGRGOEZRRIWLRY-MRVPVSSYSA-N 0 3 247.247 0.390 20 5 BCBDHN CC(COC(=O)c1ccc(=O)n(C)c1)[N+](=O)[O-] ZINC000813108009 586592717 /nfs/dbraw/zinc/59/27/17/586592717.db2.gz SYAKIXLYMJJDTP-ZETCQYMHSA-N 0 3 240.215 0.207 20 5 BCBDHN CC(COC(=O)CCCCC(N)=O)[N+](=O)[O-] ZINC000813107162 586592888 /nfs/dbraw/zinc/59/28/88/586592888.db2.gz LIWFWGXZODRYRL-SSDOTTSWSA-N 0 3 232.236 0.241 20 5 BCBDHN COCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106719 586592956 /nfs/dbraw/zinc/59/29/56/586592956.db2.gz GXBCUTLPXXSYID-ZETCQYMHSA-N 0 3 219.237 0.867 20 5 BCBDHN COCCOCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108934 586593057 /nfs/dbraw/zinc/59/30/57/586593057.db2.gz MPQNMHPOASFUDX-QMMMGPOBSA-N 0 3 235.236 0.248 20 5 BCBDHN CC(COC(=O)[C@@]1(C)CCCO1)[N+](=O)[O-] ZINC000813109206 586593101 /nfs/dbraw/zinc/59/31/01/586593101.db2.gz GRTSXVFCMXWLCB-VXNVDRBHSA-N 0 3 217.221 0.764 20 5 BCBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813109312 586593259 /nfs/dbraw/zinc/59/32/59/586593259.db2.gz HUKZGRYMDJJUCU-SSDOTTSWSA-N 0 3 240.215 0.912 20 5 BCBDHN CCO[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108722 586593317 /nfs/dbraw/zinc/59/33/17/586593317.db2.gz LEYRIVNEVMQVBF-BWZBUEFSSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)/C=C/c1ccncn1)[N+](=O)[O-] ZINC000813112087 586593742 /nfs/dbraw/zinc/59/37/42/586593742.db2.gz ZMRDNHCDOYPQTK-SGJFDWMWSA-N 0 3 237.215 0.698 20 5 BCBDHN CC(COC(=O)[C@@H]1CO[C@H](C)C1)[N+](=O)[O-] ZINC000813111023 586593766 /nfs/dbraw/zinc/59/37/66/586593766.db2.gz APFKWJYIOJFPLU-PRJMDXOYSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)[C@H]1CCSC1)[N+](=O)[O-] ZINC000813113289 586593981 /nfs/dbraw/zinc/59/39/81/586593981.db2.gz PCZHRGUIKFKCHH-BQBZGAKWSA-N 0 3 219.262 0.948 20 5 BCBDHN CCOC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813115608 586594218 /nfs/dbraw/zinc/59/42/18/586594218.db2.gz WDPLMZQBGKJRKH-ZETCQYMHSA-N 0 3 245.231 0.538 20 5 BCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813115185 586594367 /nfs/dbraw/zinc/59/43/67/586594367.db2.gz MGTMAMHCRVLSIO-SSDOTTSWSA-N 0 3 240.215 0.912 20 5 BCBDHN CC(COC(=O)c1nccs1)[N+](=O)[O-] ZINC000813114842 586594423 /nfs/dbraw/zinc/59/44/23/586594423.db2.gz WZWKMHGBTGETAI-YFKPBYRVSA-N 0 3 216.218 0.965 20 5 BCBDHN CC(COC(=O)c1cc2n(n1)CCO2)[N+](=O)[O-] ZINC000813115015 586594440 /nfs/dbraw/zinc/59/44/40/586594440.db2.gz IYACOINRFNIEHV-ZCFIWIBFSA-N 0 3 241.203 0.098 20 5 BCBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000816091655 586707346 /nfs/dbraw/zinc/70/73/46/586707346.db2.gz DOZWAEJNHOTBLF-ZCFIWIBFSA-N 0 3 228.208 0.120 20 5 BCBDHN CC(COC(=O)[C@@H]1CCNC(=O)CC1)[N+](=O)[O-] ZINC000816091169 586707519 /nfs/dbraw/zinc/70/75/19/586707519.db2.gz NHUCBXPWFFBTLN-YUMQZZPRSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)[C@H]1CCNC(=O)CC1)[N+](=O)[O-] ZINC000816091167 586707558 /nfs/dbraw/zinc/70/75/58/586707558.db2.gz NHUCBXPWFFBTLN-JGVFFNPUSA-N 0 3 244.247 0.111 20 5 BCBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000816091654 586707586 /nfs/dbraw/zinc/70/75/86/586707586.db2.gz DOZWAEJNHOTBLF-LURJTMIESA-N 0 3 228.208 0.120 20 5 BCBDHN CC(COC(=O)c1cnc2n1CCC2)[N+](=O)[O-] ZINC000851036432 588585485 /nfs/dbraw/zinc/58/54/85/588585485.db2.gz HLEGECXFXPHPDX-ZETCQYMHSA-N 0 3 239.231 0.651 20 5 BCBDHN CC(COC(=O)c1cccnn1)[N+](=O)[O-] ZINC000860777642 589119483 /nfs/dbraw/zinc/11/94/83/589119483.db2.gz SAKDQMDIAWBTDK-LURJTMIESA-N 0 3 211.177 0.299 20 5 BCBDHN Cc1ccc(CNC(=O)[C@H](C)N)cc1[N+](=O)[O-] ZINC000867995423 589543070 /nfs/dbraw/zinc/54/30/70/589543070.db2.gz CUZRVLLWSCDYTH-QMMMGPOBSA-N 0 3 237.259 0.867 20 5 BCBDHN CC[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870377268 589661358 /nfs/dbraw/zinc/66/13/58/589661358.db2.gz PLRLOWHPLLZVMQ-XCBNKYQSSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377673 589661516 /nfs/dbraw/zinc/66/15/16/589661516.db2.gz RZHMETBRXBBEMZ-CBAPKCEASA-N 0 3 244.247 0.206 20 5 BCBDHN COC(=O)C[C@H](NCC[N+](=O)[O-])C(C)(C)C ZINC000934037536 631636865 /nfs/dbraw/zinc/63/68/65/631636865.db2.gz XDARUWWWOQVGJQ-QMMMGPOBSA-N 0 3 232.280 0.831 20 5 BCBDHN O=[N+]([O-])CCNCCc1cn2ccccc2n1 ZINC000905029408 637576235 /nfs/dbraw/zinc/57/62/35/637576235.db2.gz BAYCNFHEKUGYGQ-UHFFFAOYSA-N 0 3 234.259 0.743 20 5 BCBDHN O=[N+]([O-])CCNCCN1Cc2ccccc2C1 ZINC000905068519 637602056 /nfs/dbraw/zinc/60/20/56/637602056.db2.gz ORIHSXMUTPZQLV-UHFFFAOYSA-N 0 3 235.287 0.869 20 5 BCBDHN C[C@@H](Cc1ccncc1)NCC[N+](=O)[O-] ZINC000905156578 637640123 /nfs/dbraw/zinc/64/01/23/637640123.db2.gz UBLPAPCWWGDEIN-VIFPVBQESA-N 0 3 209.249 0.879 20 5 BCBDHN CC(C)OC(=O)[C@H](C)CNCC[N+](=O)[O-] ZINC000905137456 637647344 /nfs/dbraw/zinc/64/73/44/637647344.db2.gz UBOLTGNZNVGXRU-MRVPVSSYSA-N 0 3 218.253 0.440 20 5 BCBDHN COC1(CNCC[N+](=O)[O-])CCOCC1 ZINC000905181701 637664139 /nfs/dbraw/zinc/66/41/39/637664139.db2.gz OUCNIPRPNCSITK-UHFFFAOYSA-N 0 3 218.253 0.048 20 5 BCBDHN O=[N+]([O-])CCNCCc1cccc(O)c1 ZINC000905176092 637684480 /nfs/dbraw/zinc/68/44/80/637684480.db2.gz KCXQQNBGHCKNPL-UHFFFAOYSA-N 0 3 210.233 0.801 20 5 BCBDHN CC(C)OC(=O)CC[C@H](C)NCC[N+](=O)[O-] ZINC000905244046 637702891 /nfs/dbraw/zinc/70/28/91/637702891.db2.gz UCOVQDFOXONESV-VIFPVBQESA-N 0 3 232.280 0.973 20 5 BCBDHN CO[C@](C)(CNCC[N+](=O)[O-])C1CC1 ZINC000905262962 637717224 /nfs/dbraw/zinc/71/72/24/637717224.db2.gz NQPYSWGLOSKMQB-SECBINFHSA-N 0 3 202.254 0.668 20 5 BCBDHN CC[C@H](C)[C@@H](CNCC[N+](=O)[O-])OC ZINC000905273073 637731714 /nfs/dbraw/zinc/73/17/14/637731714.db2.gz KBWREJOCUACVEN-DTWKUNHWSA-N 0 3 204.270 0.914 20 5 BCBDHN CCC(CC)[C@H](O)CNCC[N+](=O)[O-] ZINC000905347812 637769866 /nfs/dbraw/zinc/76/98/66/637769866.db2.gz CTXAUOKQRQAXRB-SECBINFHSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](O)C1CCCCC1 ZINC000905342351 637782095 /nfs/dbraw/zinc/78/20/95/637782095.db2.gz WHTAHRGKNGETSC-JTQLQIEISA-N 0 3 216.281 0.794 20 5 BCBDHN C[C@@H](NCC[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000905362896 637788355 /nfs/dbraw/zinc/78/83/55/637788355.db2.gz BJBOFDNWCXNVCF-ZYHUDNBSSA-N 0 3 238.287 0.845 20 5 BCBDHN Cc1ncccc1CCNCC[N+](=O)[O-] ZINC000905699641 637890272 /nfs/dbraw/zinc/89/02/72/637890272.db2.gz LVCVULUTUCUHIP-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN CC[C@@H]1CN(C)CCN1CC[N+](=O)[O-] ZINC000930587540 639814491 /nfs/dbraw/zinc/81/44/91/639814491.db2.gz VERFSFRUAHEJAE-SECBINFHSA-N 0 3 201.270 0.289 20 5 BCBDHN CC[C@H]1CN(C)CCN1CC[N+](=O)[O-] ZINC000930587543 639814631 /nfs/dbraw/zinc/81/46/31/639814631.db2.gz VERFSFRUAHEJAE-VIFPVBQESA-N 0 3 201.270 0.289 20 5 BCBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC[N+](=O)[O-] ZINC000930640823 639833978 /nfs/dbraw/zinc/83/39/78/639833978.db2.gz XGKUGQZKDWEVSW-ZJUUUORDSA-N 0 3 244.291 0.975 20 5 BCBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCC[N+](=O)[O-] ZINC000930650048 639843298 /nfs/dbraw/zinc/84/32/98/639843298.db2.gz LEPUKYDKEWBICJ-BDAKNGLRSA-N 0 3 230.264 0.585 20 5 BCBDHN C[C@@H](CO)[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930965547 639995695 /nfs/dbraw/zinc/99/56/95/639995695.db2.gz NFUVTMQEPXBWHA-VHSXEESVSA-N 0 3 216.281 0.746 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000931504652 640236114 /nfs/dbraw/zinc/23/61/14/640236114.db2.gz JJHOAWUFGPDXDM-MXWKQRLJSA-N 0 3 228.292 0.889 20 5 BCBDHN CC(C)(O)[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000931622370 640294643 /nfs/dbraw/zinc/29/46/43/640294643.db2.gz NGPXEBONYDVNIV-QMMMGPOBSA-N 0 3 202.254 0.356 20 5 BCBDHN COC(=O)[C@]12CCC[C@H]1CN(CC[N+](=O)[O-])C2 ZINC000931689903 640319133 /nfs/dbraw/zinc/31/91/33/640319133.db2.gz IUOWEWCBQDPCHI-ONGXEEELSA-N 0 3 242.275 0.538 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@@]2(CO)CCC[C@@H]12 ZINC000931747162 640346805 /nfs/dbraw/zinc/34/68/05/640346805.db2.gz MVCKAEGOQNHINV-NXEZZACHSA-N 0 3 214.265 0.500 20 5 BCBDHN CN1CCC[C@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000916832542 641979285 /nfs/dbraw/zinc/97/92/85/641979285.db2.gz RGRCEKSXGIWWSG-VIFPVBQESA-N 0 3 237.259 0.851 20 5 BCBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCC[N+](=O)[O-] ZINC000930104635 646435530 /nfs/dbraw/zinc/43/55/30/646435530.db2.gz CQJQQCRSELSTOL-GXSJLCMTSA-N 0 3 244.291 0.975 20 5 BCBDHN O=[N+]([O-])CCN[C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000930590380 712712843 /nfs/dbraw/zinc/71/28/43/712712843.db2.gz SLMJQXXMMUOPOK-QWRGUYRKSA-N 0 3 244.291 0.173 20 5 BCBDHN CC(C)N1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042711583 710797770 /nfs/dbraw/zinc/79/77/70/710797770.db2.gz XVNSHUCDFHHRBD-NXEZZACHSA-N 0 3 241.291 0.203 20 5 BCBDHN O=[N+]([O-])CCN[C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000930590379 712713106 /nfs/dbraw/zinc/71/31/06/712713106.db2.gz SLMJQXXMMUOPOK-MNOVXSKESA-N 0 3 244.291 0.173 20 5 BCBDHN Cc1nn(C)c(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000080684643 345430698 /nfs/dbraw/zinc/43/06/98/345430698.db2.gz JNZRRYMMUSOSON-UHFFFAOYSA-N 0 3 241.295 0.635 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000589101954 346664634 /nfs/dbraw/zinc/66/46/34/346664634.db2.gz QRUDVMDQBMUZEB-MRVPVSSYSA-N 0 3 240.263 0.324 20 5 BCBDHN CNCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856755 351411890 /nfs/dbraw/zinc/41/18/90/351411890.db2.gz MWQIYOWWQUSVLO-UHFFFAOYSA-N 0 3 237.259 0.739 20 5 BCBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCCNCC1 ZINC000019385015 352505391 /nfs/dbraw/zinc/50/53/91/352505391.db2.gz NDSMIONVNDSNQF-UHFFFAOYSA-N 0 3 239.231 0.623 20 5 BCBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN1 ZINC000384837666 356772066 /nfs/dbraw/zinc/77/20/66/356772066.db2.gz QIMGBMZOSXWGDW-SECBINFHSA-N 0 3 221.216 0.895 20 5 BCBDHN CN1CC[C@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000191094343 357749695 /nfs/dbraw/zinc/74/96/95/357749695.db2.gz XOYRELGMCXSHOE-QMMMGPOBSA-N 0 3 210.237 0.743 20 5 BCBDHN CN(C)CCSc1c([N+](=O)[O-])ncn1C ZINC000610680842 358059389 /nfs/dbraw/zinc/05/93/89/358059389.db2.gz QTJKSBDYGCRLNL-UHFFFAOYSA-N 0 3 230.293 0.982 20 5 BCBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000035794564 359455560 /nfs/dbraw/zinc/45/55/60/359455560.db2.gz YRRTYOPOPGTVKE-MRVPVSSYSA-N 0 3 237.259 0.601 20 5 BCBDHN NCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262396438 181352271 /nfs/dbraw/zinc/35/22/71/181352271.db2.gz NAWXKMHWIHGQIW-UHFFFAOYSA-N 0 3 223.232 0.212 20 5 BCBDHN CN(CCC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000027215581 368237249 /nfs/dbraw/zinc/23/72/49/368237249.db2.gz ACJDHAIRHSFQLX-UHFFFAOYSA-N 0 3 237.259 0.902 20 5 BCBDHN O=[N+]([O-])c1cnn(CCNCc2cc[nH]c2)c1 ZINC000178872988 182959994 /nfs/dbraw/zinc/95/99/94/182959994.db2.gz SDQULIQFPPTCGP-UHFFFAOYSA-N 0 3 235.247 0.909 20 5 BCBDHN CN(C)CCNc1ccncc1[N+](=O)[O-] ZINC000020370193 384307934 /nfs/dbraw/zinc/30/79/34/384307934.db2.gz SGGBPOYSPNEISN-UHFFFAOYSA-N 0 3 210.237 0.963 20 5 BCBDHN C[C@H](CC(N)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000135725382 384318623 /nfs/dbraw/zinc/31/86/23/384318623.db2.gz KFRMJCAQDJZZNS-MRVPVSSYSA-N 0 3 237.259 0.948 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](O)C2)n1 ZINC000176190075 384450888 /nfs/dbraw/zinc/45/08/88/384450888.db2.gz YKXPLEAVBHWIPE-VIFPVBQESA-N 0 3 240.263 0.248 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2CO)n1 ZINC000176248749 384496661 /nfs/dbraw/zinc/49/66/61/384496661.db2.gz YOGOUSPXJXULBI-VIFPVBQESA-N 0 3 240.263 0.248 20 5 BCBDHN CC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943242 386434165 /nfs/dbraw/zinc/43/41/65/386434165.db2.gz OAGRFXJTMKZCIF-JTQLQIEISA-N 0 3 237.259 0.948 20 5 BCBDHN CO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267659001 387048832 /nfs/dbraw/zinc/04/88/32/387048832.db2.gz MKENSFJTGYTISI-VIFPVBQESA-N 0 3 240.263 0.512 20 5 BCBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346277517 387094112 /nfs/dbraw/zinc/09/41/12/387094112.db2.gz UGLLGMVLCUPMFY-ZETCQYMHSA-N 0 3 240.263 0.603 20 5 BCBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298873818 388672841 /nfs/dbraw/zinc/67/28/41/388672841.db2.gz WYLFRDMGRBLELZ-UHFFFAOYSA-N 0 3 226.236 0.214 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000424080703 388693667 /nfs/dbraw/zinc/69/36/67/388693667.db2.gz TZWBPSGBUDGMHK-DTWKUNHWSA-N 0 3 221.216 0.881 20 5 BCBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN ZINC000490047962 388845593 /nfs/dbraw/zinc/84/55/93/388845593.db2.gz WJIHRNNJZHERMG-UHFFFAOYSA-N 0 3 239.231 0.178 20 5 BCBDHN CN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000076991359 135056983 /nfs/dbraw/zinc/05/69/83/135056983.db2.gz MBMWPZVXOJDJOM-UHFFFAOYSA-N 0 3 240.259 0.898 20 5 BCBDHN CN(C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273615184 397747328 /nfs/dbraw/zinc/74/73/28/397747328.db2.gz MZOJHAOWFABNNW-MRVPVSSYSA-N 0 3 237.263 0.525 20 5 BCBDHN C[C@@H]1C[C@@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000340906156 176382063 /nfs/dbraw/zinc/38/20/63/176382063.db2.gz KQWJTCSBJZROAM-PSASIEDQSA-N 0 3 240.263 0.246 20 5 BCBDHN CC(COC(=O)[C@@H]1CO[C@H](C)C1)[N+](=O)[O-] ZINC000813111024 586593629 /nfs/dbraw/zinc/59/36/29/586593629.db2.gz APFKWJYIOJFPLU-RNJXMRFFSA-N 0 3 217.221 0.620 20 5 BCBDHN CN(CC1CN(C)C1)Cn1cc([N+](=O)[O-])cn1 ZINC000853553590 588748559 /nfs/dbraw/zinc/74/85/59/588748559.db2.gz QKIIADWAGWXSDY-UHFFFAOYSA-N 0 3 239.279 0.242 20 5 BCBDHN COCCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813112078 582588969 /nfs/dbraw/zinc/58/89/69/582588969.db2.gz ZHJCIXSBXZPOEX-QMMMGPOBSA-N 0 3 235.236 0.248 20 5 BCBDHN CC(COC(=O)CNC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000813113991 582590793 /nfs/dbraw/zinc/59/07/93/582590793.db2.gz KTQNDRVADGKGEO-SSDOTTSWSA-N 0 3 246.263 0.357 20 5 BCBDHN CN1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892007432 582760768 /nfs/dbraw/zinc/76/07/68/582760768.db2.gz IYZYJSSUOKMMHC-QMMMGPOBSA-N 0 3 239.279 0.834 20 5 BCBDHN CO[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCSC1 ZINC000893047534 583037574 /nfs/dbraw/zinc/03/75/74/583037574.db2.gz MWPRVGQDXLORIQ-IONNQARKSA-N 0 3 249.288 0.717 20 5 BCBDHN C[C@H](CNCC[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000899891354 584246241 /nfs/dbraw/zinc/24/62/41/584246241.db2.gz OHAFATYBZHAJHU-MXWKQRLJSA-N 0 3 245.323 0.350 20 5 BCBDHN C[C@H]1CCC[C@H](CNCC[N+](=O)[O-])O1 ZINC000899891938 584248871 /nfs/dbraw/zinc/24/88/71/584248871.db2.gz NGQRJUJYTABFTO-DTWKUNHWSA-N 0 3 202.254 0.810 20 5 BCBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2C[C@@H]21 ZINC000761716229 585418000 /nfs/dbraw/zinc/41/80/00/585418000.db2.gz ZIWZEHTZIWOGNN-KOLCDFICSA-N 0 3 249.270 0.851 20 5 BCBDHN O=[N+]([O-])CCN1CCN(C2CCC2)CC1 ZINC000787716926 585914388 /nfs/dbraw/zinc/91/43/88/585914388.db2.gz KFYMTDWNPVQEBS-UHFFFAOYSA-N 0 3 213.281 0.433 20 5 BCBDHN NC(=O)C[C@H](NCC[N+](=O)[O-])C1CCCCC1 ZINC000787732230 585914873 /nfs/dbraw/zinc/91/48/73/585914873.db2.gz XFWGKOAJEMRXKU-JTQLQIEISA-N 0 3 243.307 0.677 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@@]2(CCOC2)C1 ZINC000791052406 585972561 /nfs/dbraw/zinc/97/25/61/585972561.db2.gz NBVMHELPVAHYDU-SECBINFHSA-N 0 3 200.238 0.376 20 5 BCBDHN CC(C)n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000797281857 586125144 /nfs/dbraw/zinc/12/51/44/586125144.db2.gz QOHKCBXITUYMRW-SSDOTTSWSA-N 0 3 242.235 0.681 20 5 BCBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813102602 586592012 /nfs/dbraw/zinc/59/20/12/586592012.db2.gz SUUDPJQFPGZWFO-SSDOTTSWSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)COC1CCOCC1)[N+](=O)[O-] ZINC000813103800 586592396 /nfs/dbraw/zinc/59/23/96/586592396.db2.gz UGRGOEZRRIWLRY-QMMMGPOBSA-N 0 3 247.247 0.390 20 5 BCBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000813107491 586592858 /nfs/dbraw/zinc/59/28/58/586592858.db2.gz QZFZJXTZXZXYDR-ZCFIWIBFSA-N 0 3 243.219 0.251 20 5 BCBDHN COc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108546 586593035 /nfs/dbraw/zinc/59/30/35/586593035.db2.gz ZNQUUKPEHFWAGE-SSDOTTSWSA-N 0 3 240.215 0.912 20 5 BCBDHN COc1cncc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813108561 586593163 /nfs/dbraw/zinc/59/31/63/586593163.db2.gz HNFVHCDZTGCUIG-ZCFIWIBFSA-N 0 3 241.203 0.307 20 5 BCBDHN CC(COC(=O)c1cncnc1)[N+](=O)[O-] ZINC000813109769 586593323 /nfs/dbraw/zinc/59/33/23/586593323.db2.gz WKIMIDUHGFXWQT-ZCFIWIBFSA-N 0 3 211.177 0.299 20 5 BCBDHN COC(=O)C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813112396 586593403 /nfs/dbraw/zinc/59/34/03/586593403.db2.gz PSMAZIBPLKAXSU-RNFRBKRXSA-N 0 3 233.220 0.394 20 5 BCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(=O)[nH]1 ZINC000813110592 586593409 /nfs/dbraw/zinc/59/34/09/586593409.db2.gz DZSUMWNQWZYGMZ-SSDOTTSWSA-N 0 3 240.215 0.918 20 5 BCBDHN CC(COC(=O)CCN1CCCC1=O)[N+](=O)[O-] ZINC000813111084 586593421 /nfs/dbraw/zinc/59/34/21/586593421.db2.gz CBZOOIXPUHRITG-QMMMGPOBSA-N 0 3 244.247 0.207 20 5 BCBDHN CC(COC(=O)/C=C\c1ccncn1)[N+](=O)[O-] ZINC000813112091 586593738 /nfs/dbraw/zinc/59/37/38/586593738.db2.gz ZMRDNHCDOYPQTK-YAJNLLPGSA-N 0 3 237.215 0.698 20 5 BCBDHN CCOC(=O)C(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114356 586593969 /nfs/dbraw/zinc/59/39/69/586593969.db2.gz QMAJTYGPZSWJIM-ZETCQYMHSA-N 0 3 247.247 0.784 20 5 BCBDHN CC(COC(=O)[C@@]1(C)CCOC1)[N+](=O)[O-] ZINC000813113443 586594042 /nfs/dbraw/zinc/59/40/42/586594042.db2.gz PYRMEVRZZMKBCE-APPZFPTMSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)[C@@H]1CCCOC1)[N+](=O)[O-] ZINC000813115699 586594194 /nfs/dbraw/zinc/59/41/94/586594194.db2.gz YDKVZBOVSMGLIF-JGVFFNPUSA-N 0 3 217.221 0.621 20 5 BCBDHN CCc1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114910 586594398 /nfs/dbraw/zinc/59/43/98/586594398.db2.gz XNUWSZNXSQDUPM-ZETCQYMHSA-N 0 3 241.247 0.805 20 5 BCBDHN CCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000816091500 586707314 /nfs/dbraw/zinc/70/73/14/586707314.db2.gz ZIZJNZZRNCZGRO-ZCFIWIBFSA-N 0 3 242.235 0.428 20 5 BCBDHN CC(COC(=O)c1ccsn1)[N+](=O)[O-] ZINC000835453366 587802764 /nfs/dbraw/zinc/80/27/64/587802764.db2.gz BASHRWGIBDNAOG-RXMQYKEDSA-N 0 3 216.218 0.965 20 5 BCBDHN CC(COC(=O)c1cn2c(n1)CCC2)[N+](=O)[O-] ZINC000842802405 588065185 /nfs/dbraw/zinc/06/51/85/588065185.db2.gz YCUDUFGAJGLLDM-ZETCQYMHSA-N 0 3 239.231 0.651 20 5 BCBDHN CC(COC(=O)c1nn(C)cc1Cl)[N+](=O)[O-] ZINC000860777691 589119293 /nfs/dbraw/zinc/11/92/93/589119293.db2.gz SWDQJBGPAIDSPA-RXMQYKEDSA-N 0 3 247.638 0.896 20 5 BCBDHN C[C@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642160 589386912 /nfs/dbraw/zinc/38/69/12/589386912.db2.gz ITYDUCAXNYPMJD-LURJTMIESA-N 0 3 213.241 0.353 20 5 BCBDHN COc1cccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377374 589661448 /nfs/dbraw/zinc/66/14/48/589661448.db2.gz QGUOWLNFDKEQNK-SSDOTTSWSA-N 0 3 240.215 0.912 20 5 BCBDHN COC(=O)[C@@H]1CC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000873532342 590054685 /nfs/dbraw/zinc/05/46/85/590054685.db2.gz FLAQYBHEGMYTAI-PRJMDXOYSA-N 0 3 245.231 0.394 20 5 BCBDHN C[C@@H]1C[C@@H](CO)CN(CC[N+](=O)[O-])C1 ZINC000930751401 634088363 /nfs/dbraw/zinc/08/83/63/634088363.db2.gz ZQVKGQVLVMBNSW-RKDXNWHRSA-N 0 3 202.254 0.213 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCN(CC(F)(F)F)C1 ZINC000905076570 637605265 /nfs/dbraw/zinc/60/52/65/637605265.db2.gz QJXQPTKHBGQXQA-ZETCQYMHSA-N 0 3 241.213 0.489 20 5 BCBDHN CC(C)OC(=O)[C@@H](C)CNCC[N+](=O)[O-] ZINC000905137457 637646508 /nfs/dbraw/zinc/64/65/08/637646508.db2.gz UBOLTGNZNVGXRU-QMMMGPOBSA-N 0 3 218.253 0.440 20 5 BCBDHN Cc1nn(C)c(C)c1C[C@@H](C)NCC[N+](=O)[O-] ZINC000905140233 637648180 /nfs/dbraw/zinc/64/81/80/637648180.db2.gz UELOREPIUDMKJS-MRVPVSSYSA-N 0 3 240.307 0.834 20 5 BCBDHN CCOC(=O)CC[C@@H](C)NCC[N+](=O)[O-] ZINC000905192322 637672419 /nfs/dbraw/zinc/67/24/19/637672419.db2.gz ZHMDMLBFWUWDCG-MRVPVSSYSA-N 0 3 218.253 0.585 20 5 BCBDHN CO[C@@H](CNCC[N+](=O)[O-])CC(C)C ZINC000905288335 637739352 /nfs/dbraw/zinc/73/93/52/637739352.db2.gz FOIVIQZPYABSDS-SECBINFHSA-N 0 3 204.270 0.914 20 5 BCBDHN C[C@@]1(CNCC[N+](=O)[O-])CCCC[C@H]1O ZINC000905361606 637781056 /nfs/dbraw/zinc/78/10/56/637781056.db2.gz QFPKDPPXBJRAMR-ZJUUUORDSA-N 0 3 216.281 0.794 20 5 BCBDHN C[C@]1(CNCC[N+](=O)[O-])CCCC[C@@H]1O ZINC000905361605 637781451 /nfs/dbraw/zinc/78/14/51/637781451.db2.gz QFPKDPPXBJRAMR-VHSXEESVSA-N 0 3 216.281 0.794 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](CO)c1ccc(F)cc1 ZINC000905368419 637789254 /nfs/dbraw/zinc/78/92/54/637789254.db2.gz QOGUAJVGNYQDOZ-JTQLQIEISA-N 0 3 242.250 0.768 20 5 BCBDHN O=[N+]([O-])CCNCC1(CO)CC2(CCC2)C1 ZINC000905367188 637789743 /nfs/dbraw/zinc/78/97/43/637789743.db2.gz WRVLELWVNSVYNS-UHFFFAOYSA-N 0 3 228.292 0.796 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CC2(CO1)CCOCC2 ZINC000905404985 637797167 /nfs/dbraw/zinc/79/71/67/637797167.db2.gz MNLIQYHUNYPART-JTQLQIEISA-N 0 3 244.291 0.438 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000905409829 637800073 /nfs/dbraw/zinc/80/00/73/637800073.db2.gz WYCHBXZMPNULTQ-LPEHRKFASA-N 0 3 214.265 0.810 20 5 BCBDHN CC1(C)CO[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905410102 637800726 /nfs/dbraw/zinc/80/07/26/637800726.db2.gz YNFYZAMDRFPZMN-MRVPVSSYSA-N 0 3 202.254 0.668 20 5 BCBDHN CC(C)(CNCC[N+](=O)[O-])C(=O)N1CCCC1 ZINC000905394324 637806580 /nfs/dbraw/zinc/80/65/80/637806580.db2.gz FJXQVAUJYSRGFJ-UHFFFAOYSA-N 0 3 243.307 0.501 20 5 BCBDHN C[C@@H]1C[C@]2(CC[C@@H](CNCC[N+](=O)[O-])O2)CO1 ZINC000905480593 637819141 /nfs/dbraw/zinc/81/91/41/637819141.db2.gz AKHORLGBPWPXEL-OUAUKWLOSA-N 0 3 244.291 0.579 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CCC2(CCOCC2)O1 ZINC000905589679 637854722 /nfs/dbraw/zinc/85/47/22/637854722.db2.gz BGLDBJMPJSKSEP-SNVBAGLBSA-N 0 3 244.291 0.581 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CCC2(CCOCC2)O1 ZINC000905589677 637855372 /nfs/dbraw/zinc/85/53/72/637855372.db2.gz BGLDBJMPJSKSEP-JTQLQIEISA-N 0 3 244.291 0.581 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CC[C@H](C2CC2)O1 ZINC000905647868 637881712 /nfs/dbraw/zinc/88/17/12/637881712.db2.gz JEUKBNSRQYXPPE-VHSXEESVSA-N 0 3 214.265 0.810 20 5 BCBDHN C[C@@H](CO)N(CC[N+](=O)[O-])CC1CCC1 ZINC000930292793 639678367 /nfs/dbraw/zinc/67/83/67/639678367.db2.gz JSJITCAPERVHQZ-VIFPVBQESA-N 0 3 216.281 0.746 20 5 BCBDHN CCNC(=O)C[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930369700 639734170 /nfs/dbraw/zinc/73/41/70/639734170.db2.gz GTSRJHZINIROCJ-JTQLQIEISA-N 0 3 243.307 0.644 20 5 BCBDHN C[C@H](CO)[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930965548 639995073 /nfs/dbraw/zinc/99/50/73/639995073.db2.gz NFUVTMQEPXBWHA-ZJUUUORDSA-N 0 3 216.281 0.746 20 5 BCBDHN C[C@@]12COC[C@H]1CN(CC[N+](=O)[O-])C2 ZINC000931021617 640025223 /nfs/dbraw/zinc/02/52/23/640025223.db2.gz ZUGSCRWKQKZVSL-RKDXNWHRSA-N 0 3 200.238 0.231 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000931021709 640025362 /nfs/dbraw/zinc/02/53/62/640025362.db2.gz KFXFDCQCQUDQDS-HTQZYQBOSA-N 0 3 200.238 0.156 20 5 BCBDHN O=[N+]([O-])CCN1CCC2(CC1)COCCO2 ZINC000931706026 640330896 /nfs/dbraw/zinc/33/08/96/640330896.db2.gz VSDDZBXAJAZGJE-UHFFFAOYSA-N 0 3 230.264 0.145 20 5 BCBDHN O=[N+]([O-])c1nccn1CCN1CCCC1 ZINC000918359940 642188053 /nfs/dbraw/zinc/18/80/53/642188053.db2.gz NNAFAAHCZMFXAN-UHFFFAOYSA-N 0 3 210.237 0.887 20 5 BCBDHN COCCOC[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929732878 646276929 /nfs/dbraw/zinc/27/69/29/646276929.db2.gz SSAKOPNNLPUXTJ-JTQLQIEISA-N 0 3 232.280 0.248 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@@H]2COCC[C@@H]21 ZINC000929822525 646338627 /nfs/dbraw/zinc/33/86/27/646338627.db2.gz DPLFLDAJAOHVKT-ZJUUUORDSA-N 0 3 214.265 0.764 20 5 BCBDHN O=[N+]([O-])CCN[C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000930590381 712713071 /nfs/dbraw/zinc/71/30/71/712713071.db2.gz SLMJQXXMMUOPOK-WDEREUQCSA-N 0 3 244.291 0.173 20 5 BCBDHN C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000719570493 712810811 /nfs/dbraw/zinc/81/08/11/712810811.db2.gz DVMUNSCKSHJNJS-SFYZADRCSA-N 0 3 239.279 0.833 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@H](CO)CC1 ZINC000930590686 712712934 /nfs/dbraw/zinc/71/29/34/712712934.db2.gz WSYJFQKNYZGZOK-VIFPVBQESA-N 0 3 202.254 0.358 20 5 BCBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000719571362 712810627 /nfs/dbraw/zinc/81/06/27/712810627.db2.gz GTFKTSGVCGFRDA-IONNQARKSA-N 0 3 237.263 0.889 20 5 BCBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267848184 398314527 /nfs/dbraw/zinc/31/45/27/398314527.db2.gz APYHFERAFXKNPN-UHFFFAOYSA-N 0 3 240.263 0.557 20 5 BCBDHN C[C@](O)(CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000090284700 344267824 /nfs/dbraw/zinc/26/78/24/344267824.db2.gz HLFMWOJSMIMIRO-LLVKDONJSA-N 0 3 240.259 0.428 20 5 BCBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)O ZINC000352193330 134098112 /nfs/dbraw/zinc/09/81/12/134098112.db2.gz CFFISLOCDBHFEL-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@H](C)O ZINC000352193331 134098324 /nfs/dbraw/zinc/09/83/24/134098324.db2.gz CFFISLOCDBHFEL-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN CCCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176208907 169165179 /nfs/dbraw/zinc/16/51/79/169165179.db2.gz LULPWQDXGPUCHA-UHFFFAOYSA-N 0 3 242.279 0.496 20 5 BCBDHN CO[C@H](C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000285681981 384199063 /nfs/dbraw/zinc/19/90/63/384199063.db2.gz NFFPBFLNPYISKT-SECBINFHSA-N 0 3 242.279 0.758 20 5 BCBDHN C[C@@H](CC(N)=O)NCc1ccccc1[N+](=O)[O-] ZINC000135715392 384303713 /nfs/dbraw/zinc/30/37/13/384303713.db2.gz NFVMEIYDOFIXAH-QMMMGPOBSA-N 0 3 237.259 0.948 20 5 BCBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000286859297 384404370 /nfs/dbraw/zinc/40/43/70/384404370.db2.gz BWHKVZAMMQBFMJ-ZETCQYMHSA-N 0 3 241.247 0.868 20 5 BCBDHN CC(C)N(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176362133 384458746 /nfs/dbraw/zinc/45/87/46/384458746.db2.gz NMSRYZVPBHFPQS-UHFFFAOYSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@H](O)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000175263333 384885787 /nfs/dbraw/zinc/88/57/87/384885787.db2.gz LKFPZKUMKWBAHF-QMMMGPOBSA-N 0 3 228.252 0.104 20 5 BCBDHN NC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599002465 385084681 /nfs/dbraw/zinc/08/46/81/385084681.db2.gz BMOXKYFSOUWPPG-MGCOHNPYSA-N 0 3 249.270 0.948 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000266921414 386691331 /nfs/dbraw/zinc/69/13/31/386691331.db2.gz IRDAMZYVEGNPLH-SECBINFHSA-N 0 3 240.263 0.512 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1(CO)CC1 ZINC000353171156 387148084 /nfs/dbraw/zinc/14/80/84/387148084.db2.gz SAUXAJNLCOEEIA-UHFFFAOYSA-N 0 3 240.263 0.248 20 5 BCBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000270705578 388366114 /nfs/dbraw/zinc/36/61/14/388366114.db2.gz BXGQRTYGNWJMSB-UHFFFAOYSA-N 0 3 222.248 0.740 20 5 BCBDHN CN(CCCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000276227109 388738416 /nfs/dbraw/zinc/73/84/16/388738416.db2.gz CCDZNCMXWAIDQR-UHFFFAOYSA-N 0 3 242.279 0.496 20 5 BCBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066958722 388691815 /nfs/dbraw/zinc/69/18/15/388691815.db2.gz XFWQUNBNOQPTOJ-UHFFFAOYSA-N 0 3 241.247 0.869 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1CC(O)C1 ZINC000332004148 388782451 /nfs/dbraw/zinc/78/24/51/388782451.db2.gz QJTOMEWVRXKMEF-UHFFFAOYSA-N 0 3 240.263 0.246 20 5 BCBDHN C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])nc1 ZINC000054374949 132233876 /nfs/dbraw/zinc/23/38/76/132233876.db2.gz IOARQPWDRKCMEL-MRVPVSSYSA-N 0 3 222.248 0.788 20 5 BCBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000351951579 134016748 /nfs/dbraw/zinc/01/67/48/134016748.db2.gz LNHOCVWEZTXBLO-RKDXNWHRSA-N 0 3 240.263 0.104 20 5 BCBDHN CC[C@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000295670415 398016271 /nfs/dbraw/zinc/01/62/71/398016271.db2.gz JGAMIIQPPMAVTR-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN CC[C@@H](CO)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000295670417 398016984 /nfs/dbraw/zinc/01/69/84/398016984.db2.gz JGAMIIQPPMAVTR-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN CCOCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000093311629 170389437 /nfs/dbraw/zinc/38/94/37/170389437.db2.gz SXYJSQZGQLOART-UHFFFAOYSA-N 0 3 242.279 0.760 20 5 BCBDHN CNCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000237192998 173327457 /nfs/dbraw/zinc/32/74/57/173327457.db2.gz TYWIUSFZBLQTAH-UHFFFAOYSA-N 0 3 235.243 0.703 20 5 BCBDHN CNCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262655481 173327997 /nfs/dbraw/zinc/32/79/97/173327997.db2.gz WVYOPXMRQYRWDE-UHFFFAOYSA-N 0 3 235.243 0.703 20 5 BCBDHN COc1ccc(NC(=O)[C@H](C)N)cc1[N+](=O)[O-] ZINC000136478666 175146957 /nfs/dbraw/zinc/14/69/57/175146957.db2.gz ZPDKJQBWKMVXJT-LURJTMIESA-N 0 3 239.231 0.889 20 5 BCBDHN C[C@H]1C[C@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000340886775 177373259 /nfs/dbraw/zinc/37/32/59/177373259.db2.gz DHVKEIXQJYJISO-IUCAKERBSA-N 0 3 240.263 0.246 20 5 BCBDHN CN(C)C1(CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000397832502 262936618 /nfs/dbraw/zinc/93/66/18/262936618.db2.gz DGARFGQRUQPVJE-UHFFFAOYSA-N 0 3 239.279 0.834 20 5 BCBDHN CC(C)OCC(=O)OCC(C)[N+](=O)[O-] ZINC000813107432 586592874 /nfs/dbraw/zinc/59/28/74/586592874.db2.gz QJEWIUUMSBZGHQ-ZETCQYMHSA-N 0 3 205.210 0.620 20 5 BCBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000293505524 487555057 /nfs/dbraw/zinc/55/50/57/487555057.db2.gz UUUIFDHAZNAJET-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN COC(=O)NCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000496665958 534104985 /nfs/dbraw/zinc/10/49/85/534104985.db2.gz FXCGMRIDWCTKRX-ZETCQYMHSA-N 0 3 248.235 0.331 20 5 BCBDHN CCOC(=O)NCCC(=O)OCC(C)[N+](=O)[O-] ZINC000496928232 529066830 /nfs/dbraw/zinc/06/68/30/529066830.db2.gz VFSQFOAHPFKIMF-ZETCQYMHSA-N 0 3 248.235 0.331 20 5 BCBDHN CO[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCSC1 ZINC000893047533 583037578 /nfs/dbraw/zinc/03/75/78/583037578.db2.gz MWPRVGQDXLORIQ-CBAPKCEASA-N 0 3 249.288 0.717 20 5 BCBDHN O=[N+]([O-])c1ncn(CCN2CCCC2)n1 ZINC000776432898 585698808 /nfs/dbraw/zinc/69/88/08/585698808.db2.gz ZXBOYFBPPYPQJW-UHFFFAOYSA-N 0 3 211.225 0.282 20 5 BCBDHN CC(C)(O)[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000791053208 585973104 /nfs/dbraw/zinc/97/31/04/585973104.db2.gz BPJWFCBQGZUHSM-QMMMGPOBSA-N 0 3 202.254 0.498 20 5 BCBDHN O=[N+]([O-])CCN1CCN(C2CCCC2)CC1 ZINC000791053131 585973212 /nfs/dbraw/zinc/97/32/12/585973212.db2.gz IJLWUVMLSVEJKA-UHFFFAOYSA-N 0 3 227.308 0.823 20 5 BCBDHN O=[N+]([O-])CCN1CCC2(CC1)OCCO2 ZINC000791054478 585973470 /nfs/dbraw/zinc/97/34/70/585973470.db2.gz VNKVGSOQQHIUAZ-UHFFFAOYSA-N 0 3 216.237 0.102 20 5 BCBDHN COC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813099952 586591773 /nfs/dbraw/zinc/59/17/73/586591773.db2.gz IGOOVSWNEYFDRK-ZCFIWIBFSA-N 0 3 231.204 0.148 20 5 BCBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]1 ZINC000813105497 586592370 /nfs/dbraw/zinc/59/23/70/586592370.db2.gz NDHSECNRZCPNPK-ZETCQYMHSA-N 0 3 240.215 0.918 20 5 BCBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813107058 586592721 /nfs/dbraw/zinc/59/27/21/586592721.db2.gz LKPZJHGOODQDCA-SSDOTTSWSA-N 0 3 227.220 0.725 20 5 BCBDHN CCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107989 586592788 /nfs/dbraw/zinc/59/27/88/586592788.db2.gz ZWPUEHPFFUKVHD-RNFRBKRXSA-N 0 3 205.210 0.620 20 5 BCBDHN CC(COC(=O)[C@]1(C)CCOC1)[N+](=O)[O-] ZINC000813113446 586593193 /nfs/dbraw/zinc/59/31/93/586593193.db2.gz PYRMEVRZZMKBCE-VXNVDRBHSA-N 0 3 217.221 0.621 20 5 BCBDHN CCO[C@@H]1C[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108725 586593253 /nfs/dbraw/zinc/59/32/53/586593253.db2.gz LEYRIVNEVMQVBF-XLPZGREQSA-N 0 3 217.221 0.620 20 5 BCBDHN Cc1[nH]ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110149 586593263 /nfs/dbraw/zinc/59/32/63/586593263.db2.gz TXHFCMGERNLUST-RXMQYKEDSA-N 0 3 213.193 0.540 20 5 BCBDHN CC(COC(=O)[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813110332 586593445 /nfs/dbraw/zinc/59/34/45/586593445.db2.gz YBCOMAWKTWZHBA-HTQZYQBOSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813110334 586593555 /nfs/dbraw/zinc/59/35/55/586593555.db2.gz YBCOMAWKTWZHBA-SFYZADRCSA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)c1cccn(C)c1=O)[N+](=O)[O-] ZINC000813112008 586593619 /nfs/dbraw/zinc/59/36/19/586593619.db2.gz MHPNXYWYPSSYOU-ZETCQYMHSA-N 0 3 240.215 0.207 20 5 BCBDHN CC(COC(=O)CCOCC(F)F)[N+](=O)[O-] ZINC000813110535 586593730 /nfs/dbraw/zinc/59/37/30/586593730.db2.gz COYZUIOAXLMHFK-ZCFIWIBFSA-N 0 3 241.190 0.867 20 5 BCBDHN CCCn1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000813110766 586593752 /nfs/dbraw/zinc/59/37/52/586593752.db2.gz IWUGMTYWDJWFDF-SSDOTTSWSA-N 0 3 242.235 0.510 20 5 BCBDHN CC(COC(=O)CCN1CCCC1=O)[N+](=O)[O-] ZINC000813111083 586593772 /nfs/dbraw/zinc/59/37/72/586593772.db2.gz CBZOOIXPUHRITG-MRVPVSSYSA-N 0 3 244.247 0.207 20 5 BCBDHN CC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110317 586593774 /nfs/dbraw/zinc/59/37/74/586593774.db2.gz XLIPLLVTEYMAAS-SSDOTTSWSA-N 0 3 217.221 0.954 20 5 BCBDHN CC(COC(=O)C1(C)COC1)[N+](=O)[O-] ZINC000813113782 586593814 /nfs/dbraw/zinc/59/38/14/586593814.db2.gz IUSPRANZNVXGDD-LURJTMIESA-N 0 3 203.194 0.231 20 5 BCBDHN CC(COC(=O)C[C@@H]1CCOC1)[N+](=O)[O-] ZINC000813113271 586594032 /nfs/dbraw/zinc/59/40/32/586594032.db2.gz OZGMNUKEYFSLTE-SFYZADRCSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)[C@@H]1CCSC1)[N+](=O)[O-] ZINC000813113291 586594046 /nfs/dbraw/zinc/59/40/46/586594046.db2.gz PCZHRGUIKFKCHH-RNFRBKRXSA-N 0 3 219.262 0.948 20 5 BCBDHN CC(COC(=O)C[C@@H]1CCOC1)[N+](=O)[O-] ZINC000813113272 586594081 /nfs/dbraw/zinc/59/40/81/586594081.db2.gz OZGMNUKEYFSLTE-YUMQZZPRSA-N 0 3 217.221 0.621 20 5 BCBDHN CCOCCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813113557 586594127 /nfs/dbraw/zinc/59/41/27/586594127.db2.gz GGPVOPMREPSGMF-BDAKNGLRSA-N 0 3 249.263 0.636 20 5 BCBDHN CC(COC(=O)[C@H]1CCNC(=O)CC1)[N+](=O)[O-] ZINC000816091166 586707539 /nfs/dbraw/zinc/70/75/39/586707539.db2.gz NHUCBXPWFFBTLN-HTQZYQBOSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)/C=C\[C@@H]1CCCO1)[N+](=O)[O-] ZINC000821166809 587100064 /nfs/dbraw/zinc/10/00/64/587100064.db2.gz HNTGZXZQBZJUOA-KHTCFXRASA-N 0 3 229.232 0.930 20 5 BCBDHN CC(COC(=O)[C@@H]1CCC(=O)C1)[N+](=O)[O-] ZINC000842802343 588064937 /nfs/dbraw/zinc/06/49/37/588064937.db2.gz VTPQRCFWNNVWQM-NKWVEPMBSA-N 0 3 215.205 0.564 20 5 BCBDHN C[C@H](CO)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843059824 588077676 /nfs/dbraw/zinc/07/76/76/588077676.db2.gz OJAFNLIOASTPDW-KCJUWKMLSA-N 0 3 240.259 0.599 20 5 BCBDHN CC[C@@](C)(N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642253 589387096 /nfs/dbraw/zinc/38/70/96/589387096.db2.gz LFRMGQRKGQTHFV-SNVBAGLBSA-N 0 3 241.295 0.917 20 5 BCBDHN CC(=O)N1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000870377672 589661552 /nfs/dbraw/zinc/66/15/52/589661552.db2.gz RZHMETBRXBBEMZ-APPZFPTMSA-N 0 3 244.247 0.206 20 5 BCBDHN CC1(C)C[C@H](O)CCN(CC[N+](=O)[O-])C1 ZINC000930651112 633987024 /nfs/dbraw/zinc/98/70/24/633987024.db2.gz QUBGYPAJIGODIZ-SECBINFHSA-N 0 3 216.281 0.746 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCc2c[nH]nc2C1 ZINC000905158550 637638159 /nfs/dbraw/zinc/63/81/59/637638159.db2.gz JHFQRBKQRKFCJQ-QMMMGPOBSA-N 0 3 210.237 0.133 20 5 BCBDHN C[C@H](CO[C@H]1CCOC1)NCC[N+](=O)[O-] ZINC000905158074 637638329 /nfs/dbraw/zinc/63/83/29/637638329.db2.gz DLOMRUSIVWNYAP-BDAKNGLRSA-N 0 3 218.253 0.047 20 5 BCBDHN CC[C@@H](C)[C@H](CNCC[N+](=O)[O-])OC ZINC000905273072 637732399 /nfs/dbraw/zinc/73/23/99/637732399.db2.gz KBWREJOCUACVEN-BDAKNGLRSA-N 0 3 204.270 0.914 20 5 BCBDHN CO[C@@H]([C@@H](C)NCC[N+](=O)[O-])C1CC1 ZINC000905278027 637735075 /nfs/dbraw/zinc/73/50/75/637735075.db2.gz BEJZPTCAIRDZOP-APPZFPTMSA-N 0 3 202.254 0.666 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCN(CC(F)F)C1 ZINC000905289013 637739506 /nfs/dbraw/zinc/73/95/06/637739506.db2.gz POLXLWQBJQOSEE-ZETCQYMHSA-N 0 3 223.223 0.192 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCN(CC(F)F)C1 ZINC000905289012 637740292 /nfs/dbraw/zinc/74/02/92/637740292.db2.gz POLXLWQBJQOSEE-SSDOTTSWSA-N 0 3 223.223 0.192 20 5 BCBDHN O=[N+]([O-])CCNCC[C@@H](O)C(F)(F)F ZINC000905349656 637768814 /nfs/dbraw/zinc/76/88/14/637768814.db2.gz KOHJNCWSJSGDJD-RXMQYKEDSA-N 0 3 216.159 0.166 20 5 BCBDHN CC[C@@H](C)C[C@H](CO)NCC[N+](=O)[O-] ZINC000905358833 637777075 /nfs/dbraw/zinc/77/70/75/637777075.db2.gz QUPDIUNWGDLYDG-RKDXNWHRSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1cccnc1 ZINC000905364917 637787696 /nfs/dbraw/zinc/78/76/96/637787696.db2.gz HGDPZAYUWBSARX-NSHDSACASA-N 0 3 239.275 0.099 20 5 BCBDHN CC(C)[C@H](O)C(C)(C)CNCC[N+](=O)[O-] ZINC000905365280 637787945 /nfs/dbraw/zinc/78/79/45/637787945.db2.gz IPWSXGVYRBXXIM-VIFPVBQESA-N 0 3 218.297 0.896 20 5 BCBDHN O=[N+]([O-])CCN[C@@H](CO)CC1CCC1 ZINC000905371728 637791485 /nfs/dbraw/zinc/79/14/85/637791485.db2.gz ICSZJIUMAZWCNY-SECBINFHSA-N 0 3 202.254 0.404 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CC2(CO1)CCOCC2 ZINC000905404986 637796573 /nfs/dbraw/zinc/79/65/73/637796573.db2.gz MNLIQYHUNYPART-SNVBAGLBSA-N 0 3 244.291 0.438 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000905409827 637798241 /nfs/dbraw/zinc/79/82/41/637798241.db2.gz WYCHBXZMPNULTQ-KXUCPTDWSA-N 0 3 214.265 0.810 20 5 BCBDHN C[C@@]1(CNCC[N+](=O)[O-])CCCCO1 ZINC000905597628 637858874 /nfs/dbraw/zinc/85/88/74/637858874.db2.gz SIHFEDIMNRLKOG-VIFPVBQESA-N 0 3 202.254 0.812 20 5 BCBDHN C[C@H]1CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971887 637986130 /nfs/dbraw/zinc/98/61/30/637986130.db2.gz DNEGIIJBUOQSEN-WPRPVWTQSA-N 0 3 240.263 0.246 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000930366759 639732039 /nfs/dbraw/zinc/73/20/39/639732039.db2.gz YMLNDMPVVMUDLU-ZJUUUORDSA-N 0 3 214.265 0.907 20 5 BCBDHN CNC(=O)CC[C@@H]1CCCCN1CC[N+](=O)[O-] ZINC000930471825 639768702 /nfs/dbraw/zinc/76/87/02/639768702.db2.gz RKCNCUCVXOJCIO-JTQLQIEISA-N 0 3 243.307 0.644 20 5 BCBDHN C[C@H]1CCCN(CC[N+](=O)[O-])[C@H]1CCO ZINC000930972225 640007432 /nfs/dbraw/zinc/00/74/32/640007432.db2.gz YMCDTICWVBCJIK-UWVGGRQHSA-N 0 3 216.281 0.746 20 5 BCBDHN COC(=O)[C@@H]1CCC[C@@H]1NCC[N+](=O)[O-] ZINC000931075711 640059797 /nfs/dbraw/zinc/05/97/97/640059797.db2.gz JFTWVKJQBZMLSS-SFYZADRCSA-N 0 3 216.237 0.194 20 5 BCBDHN CN(CC[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000931381959 640172078 /nfs/dbraw/zinc/17/20/78/640172078.db2.gz KFROUBBGHYYPDN-RKDXNWHRSA-N 0 3 202.254 0.498 20 5 BCBDHN COC(=O)[C@@]1(C)CN(CC[N+](=O)[O-])C[C@@H]1C ZINC000931379366 640172932 /nfs/dbraw/zinc/17/29/32/640172932.db2.gz IGBCHHJENYANBC-WPRPVWTQSA-N 0 3 230.264 0.394 20 5 BCBDHN CCCN(CC[N+](=O)[O-])CC(C)(C)O ZINC000929526150 641344690 /nfs/dbraw/zinc/34/46/90/641344690.db2.gz OFTRXXWGKVHGAD-UHFFFAOYSA-N 0 3 204.270 0.746 20 5 BCBDHN COC(=O)CC(C)(C)NCC[N+](=O)[O-] ZINC000930032791 642227955 /nfs/dbraw/zinc/22/79/55/642227955.db2.gz BKWFIERNNMYYEG-UHFFFAOYSA-N 0 3 204.226 0.194 20 5 BCBDHN C[C@H](O)[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000929594944 646190341 /nfs/dbraw/zinc/19/03/41/646190341.db2.gz KRARSPJDAIKJPF-DTWKUNHWSA-N 0 3 202.254 0.498 20 5 BCBDHN CCC(CC)(CNCC[N+](=O)[O-])C(=O)OC ZINC000930083886 646424245 /nfs/dbraw/zinc/42/42/45/646424245.db2.gz NGLHCNGVYAVWPS-UHFFFAOYSA-N 0 3 232.280 0.832 20 5 BCBDHN C[C@@H]1CN(C)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930163685 646466803 /nfs/dbraw/zinc/46/68/03/646466803.db2.gz VAEZFCVXOYJVDK-DTWKUNHWSA-N 0 3 201.270 0.288 20 5 BCBDHN COC/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000870377337 712623841 /nfs/dbraw/zinc/62/38/41/712623841.db2.gz PZDOFPOFRPEKPA-KGGZQZJCSA-N 0 3 203.194 0.397 20 5 BCBDHN CN[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576288811 365553491 /nfs/dbraw/zinc/55/34/91/365553491.db2.gz FUVUGZPMEQWLQT-VIFPVBQESA-N 0 3 249.226 0.446 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ncccc1[N+](=O)[O-] ZINC000589101499 346664966 /nfs/dbraw/zinc/66/49/66/346664966.db2.gz HEIKDRFJYAUCQF-QMMMGPOBSA-N 0 3 240.263 0.324 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000596244098 348485747 /nfs/dbraw/zinc/48/57/47/348485747.db2.gz PDMMECBNMNOUKU-LURJTMIESA-N 0 3 246.292 0.386 20 5 BCBDHN O=C(CNC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000052943245 353137192 /nfs/dbraw/zinc/13/71/92/353137192.db2.gz CDHSEGBUXCXIDS-UHFFFAOYSA-N 0 3 249.270 0.963 20 5 BCBDHN C[C@H](Cn1cc([N+](=O)[O-])cc(F)c1=O)N(C)C ZINC000583564240 355645960 /nfs/dbraw/zinc/64/59/60/355645960.db2.gz HPPSGPZXOMDFDH-SSDOTTSWSA-N 0 3 243.238 0.846 20 5 BCBDHN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)C[C@H](C)N1 ZINC000053712203 357156458 /nfs/dbraw/zinc/15/64/58/357156458.db2.gz ZRTUULPYAZEMIO-OCAPTIKFSA-N 0 3 239.279 0.515 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C(C)(C)CO ZINC000610485248 357957309 /nfs/dbraw/zinc/95/73/09/357957309.db2.gz ZOSKXRQFJOGJRI-UHFFFAOYSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C ZINC000046381335 358575289 /nfs/dbraw/zinc/57/52/89/358575289.db2.gz NOBMOCUZWGVQKZ-ZETCQYMHSA-N 0 3 240.263 0.603 20 5 BCBDHN O=C([C@H]1CCN1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000444122262 193035646 /nfs/dbraw/zinc/03/56/46/193035646.db2.gz JVMPTDWEJWICMO-SECBINFHSA-N 0 3 247.254 0.846 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCO ZINC000302538407 371581502 /nfs/dbraw/zinc/58/15/02/371581502.db2.gz YHSQFADYUAAGHM-UHFFFAOYSA-N 0 3 242.279 0.414 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ccsc1[N+](=O)[O-] ZINC000601163376 371732634 /nfs/dbraw/zinc/73/26/34/371732634.db2.gz IXVGSHGBAVSKAU-SSDOTTSWSA-N 0 3 245.304 0.991 20 5 BCBDHN C[C@H](CO)[C@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602554348 371820888 /nfs/dbraw/zinc/82/08/88/371820888.db2.gz HARXOXTULQFQCL-SFYZADRCSA-N 0 3 242.279 0.435 20 5 BCBDHN COC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000111892866 383884107 /nfs/dbraw/zinc/88/41/07/383884107.db2.gz FFJZZPIFOQSLDC-LLVKDONJSA-N 0 3 240.259 0.692 20 5 BCBDHN CO[C@@H](C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000285681984 384198464 /nfs/dbraw/zinc/19/84/64/384198464.db2.gz NFFPBFLNPYISKT-VIFPVBQESA-N 0 3 242.279 0.758 20 5 BCBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CO)c1 ZINC000083354415 384499105 /nfs/dbraw/zinc/49/91/05/384499105.db2.gz CMOIVBJVAVTHME-SNVBAGLBSA-N 0 3 226.232 0.038 20 5 BCBDHN COC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000070980131 384487696 /nfs/dbraw/zinc/48/76/96/384487696.db2.gz VTWVZKSONMMFMQ-SNVBAGLBSA-N 0 3 240.259 0.692 20 5 BCBDHN C[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015920 384582394 /nfs/dbraw/zinc/58/23/94/384582394.db2.gz JHHLEHQSFWPLIK-ZETCQYMHSA-N 0 3 223.232 0.558 20 5 BCBDHN O=C1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1 ZINC000104354017 384679669 /nfs/dbraw/zinc/67/96/69/384679669.db2.gz JNCAWIQCYWVCBJ-SNVBAGLBSA-N 0 3 249.270 0.963 20 5 BCBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361374003 384690597 /nfs/dbraw/zinc/69/05/97/384690597.db2.gz VUGLSVBPUMQDBC-SNVBAGLBSA-N 0 3 240.263 0.512 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](O)C2)n1 ZINC000176190091 385036077 /nfs/dbraw/zinc/03/60/77/385036077.db2.gz YKXPLEAVBHWIPE-SECBINFHSA-N 0 3 240.263 0.248 20 5 BCBDHN C[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237461535 386381223 /nfs/dbraw/zinc/38/12/23/386381223.db2.gz HFPWCWPSQGHRQQ-MRVPVSSYSA-N 0 3 237.259 0.601 20 5 BCBDHN CC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943243 386434265 /nfs/dbraw/zinc/43/42/65/386434265.db2.gz OAGRFXJTMKZCIF-SNVBAGLBSA-N 0 3 237.259 0.948 20 5 BCBDHN C[C@H](O)CCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000266920270 386696454 /nfs/dbraw/zinc/69/64/54/386696454.db2.gz IEYLMUUOVROIPH-VIFPVBQESA-N 0 3 242.279 0.494 20 5 BCBDHN CC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668505 388522469 /nfs/dbraw/zinc/52/24/69/388522469.db2.gz MUMZQXDNGIUTBE-JTQLQIEISA-N 0 3 237.259 0.948 20 5 BCBDHN CC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668506 388646193 /nfs/dbraw/zinc/64/61/93/388646193.db2.gz MUMZQXDNGIUTBE-SNVBAGLBSA-N 0 3 237.259 0.948 20 5 BCBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000518756486 397954237 /nfs/dbraw/zinc/95/42/37/397954237.db2.gz NXUZDMUVCBXJDD-UHFFFAOYSA-N 0 3 247.254 0.975 20 5 BCBDHN CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000071515250 172479038 /nfs/dbraw/zinc/47/90/38/172479038.db2.gz FGMZAYIJEPSODE-UHFFFAOYSA-N 0 3 211.221 0.318 20 5 BCBDHN CNCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810242 173324953 /nfs/dbraw/zinc/32/49/53/173324953.db2.gz DFVOSKRSLQCTEH-UHFFFAOYSA-N 0 3 237.259 0.773 20 5 BCBDHN CNCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015948 173330834 /nfs/dbraw/zinc/33/08/34/173330834.db2.gz LGFXZANCOJVLEV-UHFFFAOYSA-N 0 3 223.232 0.430 20 5 BCBDHN CNCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136478748 173334365 /nfs/dbraw/zinc/33/43/65/173334365.db2.gz JWYVRYFKVYGSHH-UHFFFAOYSA-N 0 3 239.231 0.761 20 5 BCBDHN COCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000267083781 174278784 /nfs/dbraw/zinc/27/87/84/174278784.db2.gz NQPNTWUSVGCMBJ-UHFFFAOYSA-N 0 3 228.252 0.370 20 5 BCBDHN COCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000266898456 174279406 /nfs/dbraw/zinc/27/94/06/174279406.db2.gz HLARAALQVLXTDY-UHFFFAOYSA-N 0 3 228.252 0.370 20 5 BCBDHN CC(=O)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110140 586593141 /nfs/dbraw/zinc/59/31/41/586593141.db2.gz TVSCANPKGSQEAF-LURJTMIESA-N 0 3 203.194 0.564 20 5 BCBDHN CC(COC(=O)[C@]1(C)CCCO1)[N+](=O)[O-] ZINC000813109203 586593331 /nfs/dbraw/zinc/59/33/31/586593331.db2.gz GRTSXVFCMXWLCB-CBAPKCEASA-N 0 3 217.221 0.764 20 5 BCBDHN CC(COC(=O)[C@H]1CC1(F)F)[N+](=O)[O-] ZINC000835455010 587803108 /nfs/dbraw/zinc/80/31/08/587803108.db2.gz MAOUAVHNPQUJQO-CRCLSJGQSA-N 0 3 209.148 0.850 20 5 BCBDHN CCC(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111804 582588804 /nfs/dbraw/zinc/58/88/04/582588804.db2.gz XOBCNTOJEQQDLQ-RQJHMYQMSA-N 0 3 232.236 0.110 20 5 BCBDHN CC(COC(=O)[C@@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000813112168 582589685 /nfs/dbraw/zinc/58/96/85/582589685.db2.gz CWMOMKFAYRYZIT-SFYZADRCSA-N 0 3 241.247 0.732 20 5 BCBDHN CC(COC(=O)Cn1ccccc1=O)[N+](=O)[O-] ZINC000813113083 582590171 /nfs/dbraw/zinc/59/01/71/582590171.db2.gz XEFQBHPCYZDRDU-QMMMGPOBSA-N 0 3 240.215 0.057 20 5 BCBDHN C[C@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CCN1C ZINC000895734680 583717424 /nfs/dbraw/zinc/71/74/24/583717424.db2.gz PRBUFDJXDKFONR-JGVFFNPUSA-N 0 3 239.279 0.833 20 5 BCBDHN O=[N+]([O-])CCNCCN1CCc2ccccc2C1 ZINC000899867866 584243920 /nfs/dbraw/zinc/24/39/20/584243920.db2.gz YZQYMPQDVFZMCU-UHFFFAOYSA-N 0 3 249.314 0.911 20 5 BCBDHN COC1CC(CCNCC[N+](=O)[O-])C1 ZINC000899890870 584246203 /nfs/dbraw/zinc/24/62/03/584246203.db2.gz IPWDYNQXCBDKNU-UHFFFAOYSA-N 0 3 202.254 0.668 20 5 BCBDHN C[C@@H]1CCC[C@@H](CNCC[N+](=O)[O-])O1 ZINC000899891937 584248779 /nfs/dbraw/zinc/24/87/79/584248779.db2.gz NGQRJUJYTABFTO-BDAKNGLRSA-N 0 3 202.254 0.810 20 5 BCBDHN O=c1c([N+](=O)[O-])cccn1CCN1CCCC1 ZINC000776433023 585698654 /nfs/dbraw/zinc/69/86/54/585698654.db2.gz JCHMBPQIQQFUKK-UHFFFAOYSA-N 0 3 237.259 0.852 20 5 BCBDHN O=[N+]([O-])CCN1CCN(CC2CC2)CC1 ZINC000791052708 585972772 /nfs/dbraw/zinc/97/27/72/585972772.db2.gz ARNSBGPMNVXSDY-UHFFFAOYSA-N 0 3 213.281 0.291 20 5 BCBDHN CC(COC(=O)Cc1cnn(C)c1)[N+](=O)[O-] ZINC000813101488 586591990 /nfs/dbraw/zinc/59/19/90/586591990.db2.gz BLFPTMJUHGLREM-SSDOTTSWSA-N 0 3 227.220 0.171 20 5 BCBDHN CC[C@@H](OC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101830 586592085 /nfs/dbraw/zinc/59/20/85/586592085.db2.gz JLCHQNIANPKPDW-RNFRBKRXSA-N 0 3 205.210 0.620 20 5 BCBDHN CC(COC(=O)COCC1CC1)[N+](=O)[O-] ZINC000813105660 586592564 /nfs/dbraw/zinc/59/25/64/586592564.db2.gz RIYCGYMFFAUAPV-SSDOTTSWSA-N 0 3 217.221 0.621 20 5 BCBDHN CO[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813103781 586592588 /nfs/dbraw/zinc/59/25/88/586592588.db2.gz TVUAWHDNNNTNCO-NKWVEPMBSA-N 0 3 205.210 0.620 20 5 BCBDHN CC(COC(=O)[C@@H]1CCCCO1)[N+](=O)[O-] ZINC000813110335 586592798 /nfs/dbraw/zinc/59/27/98/586592798.db2.gz YBCOMAWKTWZHBA-YUMQZZPRSA-N 0 3 217.221 0.764 20 5 BCBDHN COc1ncc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813108417 586593195 /nfs/dbraw/zinc/59/31/95/586593195.db2.gz YHAICHHUIILDKQ-ZCFIWIBFSA-N 0 3 241.203 0.307 20 5 BCBDHN CCCC(=O)NCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109326 586593371 /nfs/dbraw/zinc/59/33/71/586593371.db2.gz ICMWDHMBJGQJIC-ZETCQYMHSA-N 0 3 232.236 0.111 20 5 BCBDHN CC(COC(=O)CCc1ncccn1)[N+](=O)[O-] ZINC000813111744 586593435 /nfs/dbraw/zinc/59/34/35/586593435.db2.gz KTJUNMNDLSXCGN-QMMMGPOBSA-N 0 3 239.231 0.618 20 5 BCBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813110447 586593517 /nfs/dbraw/zinc/59/35/17/586593517.db2.gz AWARUDSXPDIFTP-ZETCQYMHSA-N 0 3 241.247 0.805 20 5 BCBDHN Cc1ocnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110805 586593533 /nfs/dbraw/zinc/59/35/33/586593533.db2.gz JVDGJDUMCTZZGM-RXMQYKEDSA-N 0 3 214.177 0.805 20 5 BCBDHN CC(COC(=O)COC[C@H]1CCCO1)[N+](=O)[O-] ZINC000813111503 586593569 /nfs/dbraw/zinc/59/35/69/586593569.db2.gz TZNKICWMVYHDEJ-RKDXNWHRSA-N 0 3 247.247 0.390 20 5 BCBDHN CC(COC(=O)[C@H]1CCCCO1)[N+](=O)[O-] ZINC000813110333 586593581 /nfs/dbraw/zinc/59/35/81/586593581.db2.gz YBCOMAWKTWZHBA-JGVFFNPUSA-N 0 3 217.221 0.764 20 5 BCBDHN COCc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813115431 586594212 /nfs/dbraw/zinc/59/42/12/586594212.db2.gz RWFKNINLKBVDHM-LURJTMIESA-N 0 3 244.203 0.643 20 5 BCBDHN CC(COC(=O)[C@@H]1CCCOC1)[N+](=O)[O-] ZINC000813115698 586594285 /nfs/dbraw/zinc/59/42/85/586594285.db2.gz YDKVZBOVSMGLIF-HTQZYQBOSA-N 0 3 217.221 0.621 20 5 BCBDHN CNCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000867995822 589543074 /nfs/dbraw/zinc/54/30/74/589543074.db2.gz JMHQMZJBNAUYDW-UHFFFAOYSA-N 0 3 237.259 0.739 20 5 BCBDHN CC[C@@H](NC(C)=O)C(=O)OCC(C)[N+](=O)[O-] ZINC000870378846 589661548 /nfs/dbraw/zinc/66/15/48/589661548.db2.gz YEUWITWOWSCUFB-POYBYMJQSA-N 0 3 232.236 0.110 20 5 BCBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])s1 ZINC000884824363 592022943 /nfs/dbraw/zinc/02/29/43/592022943.db2.gz XEZLWXYILGNVEF-UHFFFAOYSA-N 0 3 245.304 0.992 20 5 BCBDHN CS[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000308318937 631282324 /nfs/dbraw/zinc/28/23/24/631282324.db2.gz ZBOJAMMYOXLQHD-NTSWFWBYSA-N 0 3 207.251 0.946 20 5 BCBDHN Cc1noc(CCCNCC[N+](=O)[O-])n1 ZINC000905090426 637589784 /nfs/dbraw/zinc/58/97/84/637589784.db2.gz VFJVPJXBFWHBQH-UHFFFAOYSA-N 0 3 214.225 0.177 20 5 BCBDHN C[C@@H](COCC(F)(F)F)NCC[N+](=O)[O-] ZINC000905066482 637599125 /nfs/dbraw/zinc/59/91/25/637599125.db2.gz RUXBCLZBPAUMBB-LURJTMIESA-N 0 3 230.186 0.820 20 5 BCBDHN Cc1ccc(CCNCC[N+](=O)[O-])cn1 ZINC000905104653 637611615 /nfs/dbraw/zinc/61/16/15/637611615.db2.gz PLGNNXJNEWACCF-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN CN(C)C(=O)C1(CNCC[N+](=O)[O-])CCCC1 ZINC000905117091 637622663 /nfs/dbraw/zinc/62/26/63/637622663.db2.gz LNMQFPHXYIPDPQ-UHFFFAOYSA-N 0 3 243.307 0.501 20 5 BCBDHN O=[N+]([O-])CCNCCc1cn2c(n1)SCC2 ZINC000905217661 637699350 /nfs/dbraw/zinc/69/93/50/637699350.db2.gz YAECWOLZUQFNJM-UHFFFAOYSA-N 0 3 242.304 0.398 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCn2ccnc2C1 ZINC000905218763 637699426 /nfs/dbraw/zinc/69/94/26/637699426.db2.gz OXLQFNWZIRJHBE-QMMMGPOBSA-N 0 3 210.237 0.064 20 5 BCBDHN COC1(CNCC[N+](=O)[O-])CCCC1 ZINC000905273167 637731813 /nfs/dbraw/zinc/73/18/13/637731813.db2.gz KEODRQBLQRTYPW-UHFFFAOYSA-N 0 3 202.254 0.812 20 5 BCBDHN CO[C@H](CNCC[N+](=O)[O-])CC(C)C ZINC000905288336 637739745 /nfs/dbraw/zinc/73/97/45/637739745.db2.gz FOIVIQZPYABSDS-VIFPVBQESA-N 0 3 204.270 0.914 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](O)CCc1ccccc1 ZINC000905362044 637780058 /nfs/dbraw/zinc/78/00/58/637780058.db2.gz RRYDCHDLIDFLAN-LBPRGKRZSA-N 0 3 238.287 0.846 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccco1 ZINC000905342941 637782522 /nfs/dbraw/zinc/78/25/22/637782522.db2.gz DWQMIVUYDDBDTN-SECBINFHSA-N 0 3 228.248 0.297 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1ccccc1 ZINC000905343548 637782921 /nfs/dbraw/zinc/78/29/21/637782921.db2.gz ZNOUTZXFAQQENE-GFCCVEGCSA-N 0 3 238.287 0.704 20 5 BCBDHN C[C@H](NCC[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000905362493 637785863 /nfs/dbraw/zinc/78/58/63/637785863.db2.gz BJBOFDNWCXNVCF-CMPLNLGQSA-N 0 3 238.287 0.845 20 5 BCBDHN CC(C)(C)C[C@H](CO)NCC[N+](=O)[O-] ZINC000905367092 637789921 /nfs/dbraw/zinc/78/99/21/637789921.db2.gz IDWSRUIAAJMLEA-MRVPVSSYSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000905409825 637799324 /nfs/dbraw/zinc/79/93/24/637799324.db2.gz WYCHBXZMPNULTQ-GUBZILKMSA-N 0 3 214.265 0.810 20 5 BCBDHN CCOC1CC2(C[C@@H]2NCC[N+](=O)[O-])C1 ZINC000905414847 637801978 /nfs/dbraw/zinc/80/19/78/637801978.db2.gz CCORDJHUIZJTIK-KYHHOPLUSA-N 0 3 214.265 0.810 20 5 BCBDHN CC(C)O[C@]1(CNCC[N+](=O)[O-])CCOC1 ZINC000905559541 637847440 /nfs/dbraw/zinc/84/74/40/637847440.db2.gz YBMBHGVEYBGUGS-JTQLQIEISA-N 0 3 232.280 0.437 20 5 BCBDHN Cc1cc(CCNCC[N+](=O)[O-])nn1C ZINC000905560441 637847499 /nfs/dbraw/zinc/84/74/99/637847499.db2.gz NQQPIMDHGIJMIW-UHFFFAOYSA-N 0 3 212.253 0.137 20 5 BCBDHN C[C@H](O)C[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000930267019 639668773 /nfs/dbraw/zinc/66/87/73/639668773.db2.gz FDDRRLOGDINXGP-VHSXEESVSA-N 0 3 216.281 0.889 20 5 BCBDHN CO[C@H]1CCCC[C@@H]1NCC[N+](=O)[O-] ZINC000930324699 639705617 /nfs/dbraw/zinc/70/56/17/639705617.db2.gz PQUXMGYEFSQJPH-IUCAKERBSA-N 0 3 202.254 0.810 20 5 BCBDHN O=[N+]([O-])CCN1CCCC[C@@H]1C1(O)CC1 ZINC000930693010 639864004 /nfs/dbraw/zinc/86/40/04/639864004.db2.gz POBDLXCYCMYTEX-SECBINFHSA-N 0 3 214.265 0.643 20 5 BCBDHN CO[C@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930700127 639865848 /nfs/dbraw/zinc/86/58/48/639865848.db2.gz PPGBKICPNLLMGA-BDAKNGLRSA-N 0 3 214.265 0.810 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@H](CCO)CC1 ZINC000930754270 639897653 /nfs/dbraw/zinc/89/76/53/639897653.db2.gz MYYFLYPKHFZQMZ-JTQLQIEISA-N 0 3 216.281 0.748 20 5 BCBDHN CCO[C@@H]1C[C@@H](NCC[N+](=O)[O-])[C@@H]1SC ZINC000930821171 639921960 /nfs/dbraw/zinc/92/19/60/639921960.db2.gz CJMFJIYJYHGEDA-HLTSFMKQSA-N 0 3 234.321 0.762 20 5 BCBDHN CO[C@@H]1CCCC[C@H]1NCC[N+](=O)[O-] ZINC000930853019 639952058 /nfs/dbraw/zinc/95/20/58/639952058.db2.gz PQUXMGYEFSQJPH-RKDXNWHRSA-N 0 3 202.254 0.810 20 5 BCBDHN C[C@H]1CCCN(CC[N+](=O)[O-])[C@@H]1CCO ZINC000930972226 640003324 /nfs/dbraw/zinc/00/33/24/640003324.db2.gz YMCDTICWVBCJIK-VHSXEESVSA-N 0 3 216.281 0.746 20 5 BCBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC[N+](=O)[O-] ZINC000931258392 640117445 /nfs/dbraw/zinc/11/74/45/640117445.db2.gz KTJITLZJBZYQBD-MAUMQABQSA-N 0 3 202.254 0.665 20 5 BCBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC[N+](=O)[O-] ZINC000931258391 640118079 /nfs/dbraw/zinc/11/80/79/640118079.db2.gz KTJITLZJBZYQBD-BZNPZCIMSA-N 0 3 202.254 0.665 20 5 BCBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC[N+](=O)[O-] ZINC000931258394 640118817 /nfs/dbraw/zinc/11/88/17/640118817.db2.gz KTJITLZJBZYQBD-XAVMHZPKSA-N 0 3 202.254 0.665 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000931332269 640160214 /nfs/dbraw/zinc/16/02/14/640160214.db2.gz BQNDKPWJBJAGFM-DJLDLDEBSA-N 0 3 200.238 0.108 20 5 BCBDHN C[C@@H]1CCCN(CC[N+](=O)[O-])[C@@H]1CO ZINC000931501407 640235674 /nfs/dbraw/zinc/23/56/74/640235674.db2.gz BDAGIKUVOJALOR-RKDXNWHRSA-N 0 3 202.254 0.356 20 5 BCBDHN CCOC(=O)CCN(CC[N+](=O)[O-])CC1CC1 ZINC000929417885 641259109 /nfs/dbraw/zinc/25/91/09/641259109.db2.gz WGYFWDPNPVSUBT-UHFFFAOYSA-N 0 3 244.291 0.928 20 5 BCBDHN NC(=O)CC1(NCC[N+](=O)[O-])CCCCC1 ZINC000934820865 641280716 /nfs/dbraw/zinc/28/07/16/641280716.db2.gz OMJJHQWYDXIQOX-UHFFFAOYSA-N 0 3 229.280 0.431 20 5 BCBDHN O=[N+]([O-])CCN1CCC(c2nc[nH]n2)CC1 ZINC000929819198 641680916 /nfs/dbraw/zinc/68/09/16/641680916.db2.gz ICLTUPXNMQRFLI-UHFFFAOYSA-N 0 3 225.252 0.261 20 5 BCBDHN CC(C)C[C@H]1CN(C)CCN1CC[N+](=O)[O-] ZINC000933256136 642424250 /nfs/dbraw/zinc/42/42/50/642424250.db2.gz JXDJWLXNCNLILJ-NSHDSACASA-N 0 3 229.324 0.925 20 5 BCBDHN CN(CC[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000929607257 646198810 /nfs/dbraw/zinc/19/88/10/646198810.db2.gz NRHOAPQKRDQXHX-SECBINFHSA-N 0 3 202.254 0.622 20 5 BCBDHN C[C@@H](O)C[C@H]1CCCN1CC[N+](=O)[O-] ZINC000791053765 712422381 /nfs/dbraw/zinc/42/23/81/712422381.db2.gz GHENQUCUQWOIKI-RKDXNWHRSA-N 0 3 202.254 0.498 20 5 BCBDHN Cc1ccc(CNCCC(N)=O)cc1[N+](=O)[O-] ZINC000037262007 712560830 /nfs/dbraw/zinc/56/08/30/712560830.db2.gz QELKNRJIHIUJPG-UHFFFAOYSA-N 0 3 237.259 0.868 20 5 BCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351808701 136370860 /nfs/dbraw/zinc/37/08/60/136370860.db2.gz KGUYTYPZRMZPCZ-PSASIEDQSA-N 0 3 240.263 0.104 20 5 BCBDHN CN(C)C[C@H](CO)Nc1sccc1[N+](=O)[O-] ZINC000596244963 348485787 /nfs/dbraw/zinc/48/57/87/348485787.db2.gz SUTFKTHVZJFHNF-SSDOTTSWSA-N 0 3 245.304 0.991 20 5 BCBDHN CN(CC1CN(C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000596454276 348552054 /nfs/dbraw/zinc/55/20/54/348552054.db2.gz SFIAQTHMZKFERL-UHFFFAOYSA-N 0 3 236.275 0.988 20 5 BCBDHN Cc1nc(N2CCNC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000420218442 192193789 /nfs/dbraw/zinc/19/37/89/192193789.db2.gz MXTIOTGISQELMJ-ZETCQYMHSA-N 0 3 237.263 0.491 20 5 BCBDHN CC[C@H](CO)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000451158486 202366989 /nfs/dbraw/zinc/36/69/89/202366989.db2.gz ZCVMCSMLCKUIHW-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668484 364456913 /nfs/dbraw/zinc/45/69/13/364456913.db2.gz XELDMMLRFWNMOD-SSDOTTSWSA-N 0 3 223.232 0.558 20 5 BCBDHN C[C@@H](CO)[C@H](C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602554349 371820972 /nfs/dbraw/zinc/82/09/72/371820972.db2.gz HARXOXTULQFQCL-YUMQZZPRSA-N 0 3 242.279 0.435 20 5 BCBDHN COCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602768983 371838621 /nfs/dbraw/zinc/83/86/21/371838621.db2.gz PGIVSGNTVAIQPQ-UHFFFAOYSA-N 0 3 242.279 0.678 20 5 BCBDHN CCCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000266951657 169165896 /nfs/dbraw/zinc/16/58/96/169165896.db2.gz ZWKKVUOYPYZDAN-UHFFFAOYSA-N 0 3 242.279 0.496 20 5 BCBDHN CN(C)CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158538470 384008578 /nfs/dbraw/zinc/00/85/78/384008578.db2.gz UKYDEIVEACKFDQ-UHFFFAOYSA-N 0 3 245.666 0.972 20 5 BCBDHN CCN(CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000267059866 386750978 /nfs/dbraw/zinc/75/09/78/386750978.db2.gz IJIWWBHVRLMYRW-UHFFFAOYSA-N 0 3 242.279 0.760 20 5 BCBDHN C[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000269077774 386742511 /nfs/dbraw/zinc/74/25/11/386742511.db2.gz ZGMXANCXKGSCSB-SSDOTTSWSA-N 0 3 235.243 0.831 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000267095944 386812903 /nfs/dbraw/zinc/81/29/03/386812903.db2.gz RMWUBLXXYRDREI-VIFPVBQESA-N 0 3 240.263 0.512 20 5 BCBDHN CN(C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000040454324 387754813 /nfs/dbraw/zinc/75/48/13/387754813.db2.gz YFYIBPYNXIVVOL-UHFFFAOYSA-N 0 3 211.225 0.358 20 5 BCBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)CO ZINC000347500273 387993772 /nfs/dbraw/zinc/99/37/72/387993772.db2.gz HOSSJMPGMGKVQA-LLVKDONJSA-N 0 3 240.259 0.346 20 5 BCBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000347468788 387986807 /nfs/dbraw/zinc/98/68/07/387986807.db2.gz XRSQPOKQFCRKNV-UHFFFAOYSA-N 0 3 222.248 0.740 20 5 BCBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000304555127 388358589 /nfs/dbraw/zinc/35/85/89/388358589.db2.gz WHIGSTCMADATJU-UHFFFAOYSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N(C)C ZINC000298861672 388671021 /nfs/dbraw/zinc/67/10/21/388671021.db2.gz DAJCCDTWPPMLLH-ZETCQYMHSA-N 0 3 240.263 0.603 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000424081383 388694400 /nfs/dbraw/zinc/69/44/00/388694400.db2.gz JYVGNCMCJLFGRO-VHSXEESVSA-N 0 3 235.243 0.558 20 5 BCBDHN Cc1c(CNC(=O)[C@@H]2C[C@@H]2N)cccc1[N+](=O)[O-] ZINC000424164422 388695038 /nfs/dbraw/zinc/69/50/38/388695038.db2.gz CHTPNDHPPVIEHM-ZJUUUORDSA-N 0 3 249.270 0.867 20 5 BCBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000351951577 134016791 /nfs/dbraw/zinc/01/67/91/134016791.db2.gz LNHOCVWEZTXBLO-DTWKUNHWSA-N 0 3 240.263 0.104 20 5 BCBDHN C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000343790587 411919131 /nfs/dbraw/zinc/91/91/31/411919131.db2.gz LMXOCMKMTGHMAH-ZCFIWIBFSA-N 0 3 240.267 0.329 20 5 BCBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354578539 412245282 /nfs/dbraw/zinc/24/52/82/412245282.db2.gz YVSBTZZLSJKXHA-UHFFFAOYSA-N 0 3 249.274 1.059 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCN(C)C1 ZINC000037647702 173117697 /nfs/dbraw/zinc/11/76/97/173117697.db2.gz RLDZWZHEMRZFFG-QMMMGPOBSA-N 0 3 239.279 0.692 20 5 BCBDHN CNCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676252 173328705 /nfs/dbraw/zinc/32/87/05/173328705.db2.gz HCWCZZZFBVRZFR-UHFFFAOYSA-N 0 3 237.259 0.473 20 5 BCBDHN CC(COC(=O)c1cscn1)[N+](=O)[O-] ZINC000813103133 586592147 /nfs/dbraw/zinc/59/21/47/586592147.db2.gz ADEIFLMNVIHQAQ-RXMQYKEDSA-N 0 3 216.218 0.965 20 5 BCBDHN CO[C@]1(CNCC[N+](=O)[O-])CCSC1 ZINC000905546861 637841505 /nfs/dbraw/zinc/84/15/05/637841505.db2.gz PTTBTCPEZSQNGF-QMMMGPOBSA-N 0 3 220.294 0.375 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCN1C ZINC000049099934 323157668 /nfs/dbraw/zinc/15/76/68/323157668.db2.gz ZSUCDTPASFEBHX-QMMMGPOBSA-N 0 3 239.279 0.834 20 5 BCBDHN CCOC(=O)NCCC(=O)OCC(C)[N+](=O)[O-] ZINC000496928231 529066942 /nfs/dbraw/zinc/06/69/42/529066942.db2.gz VFSQFOAHPFKIMF-SSDOTTSWSA-N 0 3 248.235 0.331 20 5 BCBDHN CC(COC(=O)CCc1ccncn1)[N+](=O)[O-] ZINC000813110730 582588040 /nfs/dbraw/zinc/58/80/40/582588040.db2.gz IGTJCRLMFIXULY-QMMMGPOBSA-N 0 3 239.231 0.618 20 5 BCBDHN CC(COC(=O)c1coc(C(N)=O)c1)[N+](=O)[O-] ZINC000813112153 582588986 /nfs/dbraw/zinc/58/89/86/582588986.db2.gz COQHCMNMJSFFSM-YFKPBYRVSA-N 0 3 242.187 0.201 20 5 BCBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813115186 582591958 /nfs/dbraw/zinc/59/19/58/582591958.db2.gz MGTMAMHCRVLSIO-ZETCQYMHSA-N 0 3 240.215 0.912 20 5 BCBDHN CO[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCSC1 ZINC000893047535 583037644 /nfs/dbraw/zinc/03/76/44/583037644.db2.gz MWPRVGQDXLORIQ-VXNVDRBHSA-N 0 3 249.288 0.717 20 5 BCBDHN Cc1ncc(CC(=O)OCC(C)[N+](=O)[O-])o1 ZINC000893047244 583038023 /nfs/dbraw/zinc/03/80/23/583038023.db2.gz KRFRDAIGPIEXIR-LURJTMIESA-N 0 3 228.204 0.734 20 5 BCBDHN C[C@@H](CN(C)C)Nc1c([N+](=O)[O-])cnn1C ZINC000893859008 583233855 /nfs/dbraw/zinc/23/38/55/583233855.db2.gz UKSRPILCJDFWCM-ZETCQYMHSA-N 0 3 227.268 0.690 20 5 BCBDHN CN(C)C1(CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000894232777 583385504 /nfs/dbraw/zinc/38/55/04/583385504.db2.gz IJIPFMTWZIILMI-UHFFFAOYSA-N 0 3 239.279 0.834 20 5 BCBDHN O=[N+]([O-])CCNCCn1cnc2ccccc21 ZINC000899876194 584245454 /nfs/dbraw/zinc/24/54/54/584245454.db2.gz PMTCNJOKBSSLQH-UHFFFAOYSA-N 0 3 234.259 0.903 20 5 BCBDHN O=[N+]([O-])CCNCCCOC[C@H]1CCCO1 ZINC000899865564 584245687 /nfs/dbraw/zinc/24/56/87/584245687.db2.gz IEPKMWDENGOXSJ-SNVBAGLBSA-N 0 3 232.280 0.438 20 5 BCBDHN C[C@H]1CCC[C@@H](CNCC[N+](=O)[O-])O1 ZINC000899891939 584248709 /nfs/dbraw/zinc/24/87/09/584248709.db2.gz NGQRJUJYTABFTO-IUCAKERBSA-N 0 3 202.254 0.810 20 5 BCBDHN C[C@@H](O)CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644940 585205001 /nfs/dbraw/zinc/20/50/01/585205001.db2.gz FYFRKUWEWHEMOB-KCJUWKMLSA-N 0 3 240.259 0.599 20 5 BCBDHN CC(COC(=O)CC1OCCCO1)[N+](=O)[O-] ZINC000813100099 586591792 /nfs/dbraw/zinc/59/17/92/586591792.db2.gz MKJAFCKUBXIZRZ-SSDOTTSWSA-N 0 3 233.220 0.348 20 5 BCBDHN CC(COC(=O)c1cccn1C)[N+](=O)[O-] ZINC000813103711 586592306 /nfs/dbraw/zinc/59/23/06/586592306.db2.gz GDJHPLZAUWPLJC-ZETCQYMHSA-N 0 3 212.205 0.847 20 5 BCBDHN Cc1nn(C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103806 586592502 /nfs/dbraw/zinc/59/25/02/586592502.db2.gz UJMRGRJGUXFJHJ-ZCFIWIBFSA-N 0 3 227.220 0.551 20 5 BCBDHN COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103693 586592556 /nfs/dbraw/zinc/59/25/56/586592556.db2.gz FKIUOUQONWMCNJ-QYNIQEEDSA-N 0 3 231.204 0.004 20 5 BCBDHN CCO[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107987 586592663 /nfs/dbraw/zinc/59/26/63/586592663.db2.gz ZWPUEHPFFUKVHD-BQBZGAKWSA-N 0 3 205.210 0.620 20 5 BCBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000813107192 586592688 /nfs/dbraw/zinc/59/26/88/586592688.db2.gz MIASQQWNFITGFE-SSDOTTSWSA-N 0 3 227.220 0.551 20 5 BCBDHN CC(COC(=O)CCc1cnn(C)c1)[N+](=O)[O-] ZINC000813108015 586592834 /nfs/dbraw/zinc/59/28/34/586592834.db2.gz TUJJKULRJOJEGL-QMMMGPOBSA-N 0 3 241.247 0.561 20 5 BCBDHN CC(COC(=O)CCc1cnn(C)c1)[N+](=O)[O-] ZINC000813108014 586592856 /nfs/dbraw/zinc/59/28/56/586592856.db2.gz TUJJKULRJOJEGL-MRVPVSSYSA-N 0 3 241.247 0.561 20 5 BCBDHN CCO[C@@H]1C[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108724 586593123 /nfs/dbraw/zinc/59/31/23/586593123.db2.gz LEYRIVNEVMQVBF-GJMOJQLCSA-N 0 3 217.221 0.620 20 5 BCBDHN COc1ncccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108549 586593385 /nfs/dbraw/zinc/59/33/85/586593385.db2.gz ZNQUUKPEHFWAGE-ZETCQYMHSA-N 0 3 240.215 0.912 20 5 BCBDHN CC(COC(=O)c1cnn(C)c1)[N+](=O)[O-] ZINC000813110391 586593631 /nfs/dbraw/zinc/59/36/31/586593631.db2.gz ZOTRTVVOIFRGHU-ZCFIWIBFSA-N 0 3 213.193 0.242 20 5 BCBDHN CC(COC(=O)CCc1cnccn1)[N+](=O)[O-] ZINC000813113923 586593854 /nfs/dbraw/zinc/59/38/54/586593854.db2.gz WKLUYKUZUREFPJ-MRVPVSSYSA-N 0 3 239.231 0.618 20 5 BCBDHN CC(COC(=O)CCc1cnccn1)[N+](=O)[O-] ZINC000813113924 586594054 /nfs/dbraw/zinc/59/40/54/586594054.db2.gz WKLUYKUZUREFPJ-QMMMGPOBSA-N 0 3 239.231 0.618 20 5 BCBDHN CCn1nncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000816091283 586707292 /nfs/dbraw/zinc/70/72/92/586707292.db2.gz QPKXWKOPVXYGBT-ZCFIWIBFSA-N 0 3 228.208 0.120 20 5 BCBDHN CC(COC(=O)CN1CCCCC1=O)[N+](=O)[O-] ZINC000816091115 586707534 /nfs/dbraw/zinc/70/75/34/586707534.db2.gz LNEBLORUKFPGKH-QMMMGPOBSA-N 0 3 244.247 0.207 20 5 BCBDHN CCn1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000816091499 586707610 /nfs/dbraw/zinc/70/76/10/586707610.db2.gz ZIZJNZZRNCZGRO-LURJTMIESA-N 0 3 242.235 0.428 20 5 BCBDHN CC(COC(=O)c1cc[n+]([O-])cc1)[N+](=O)[O-] ZINC000842802321 588065212 /nfs/dbraw/zinc/06/52/12/588065212.db2.gz VHMPYYOVKJRKHY-SSDOTTSWSA-N 0 3 226.188 0.142 20 5 BCBDHN CC(=O)NCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000845577600 588233730 /nfs/dbraw/zinc/23/37/30/588233730.db2.gz XNDCUBPKHHCXLL-SSDOTTSWSA-N 0 3 246.263 0.357 20 5 BCBDHN CC(COC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N+](=O)[O-] ZINC000851036518 588585489 /nfs/dbraw/zinc/58/54/89/588585489.db2.gz JQPPTXQCSAKJSU-RULNZFCNSA-N 0 3 215.205 0.087 20 5 BCBDHN CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000860776484 589119596 /nfs/dbraw/zinc/11/95/96/589119596.db2.gz FRBBPEBTOWKQFE-VXNVDRBHSA-N 0 3 246.263 0.356 20 5 BCBDHN CC[C@@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642861 589387278 /nfs/dbraw/zinc/38/72/78/589387278.db2.gz YLSAXZNZHCVKMD-SSDOTTSWSA-N 0 3 227.268 0.743 20 5 BCBDHN C[C@@H](CO)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123552003 589750002 /nfs/dbraw/zinc/75/00/02/589750002.db2.gz CKSGTKUCAKQJDU-GZMMTYOYSA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@@H](CO)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123551536 589750445 /nfs/dbraw/zinc/75/04/45/589750445.db2.gz CKSGTKUCAKQJDU-KWQFWETISA-N 0 3 240.259 0.599 20 5 BCBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1 ZINC000884823111 592022680 /nfs/dbraw/zinc/02/26/80/592022680.db2.gz MRMSTLPYNSWLEJ-UHFFFAOYSA-N 0 3 239.275 0.931 20 5 BCBDHN CS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000308318940 631282314 /nfs/dbraw/zinc/28/23/14/631282314.db2.gz ZBOJAMMYOXLQHD-WDSKDSINSA-N 0 3 207.251 0.946 20 5 BCBDHN Cn1ncc([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000891573859 631397481 /nfs/dbraw/zinc/39/74/81/631397481.db2.gz UCGBBEXDJJWZIW-UHFFFAOYSA-N 0 3 239.279 0.834 20 5 BCBDHN COC(=O)C[C@@H](NCC[N+](=O)[O-])C(C)(C)C ZINC000934037532 631636358 /nfs/dbraw/zinc/63/63/58/631636358.db2.gz XDARUWWWOQVGJQ-MRVPVSSYSA-N 0 3 232.280 0.831 20 5 BCBDHN CC(C)[C@@H]1CN(C)CCN1CC[N+](=O)[O-] ZINC000930574804 633904608 /nfs/dbraw/zinc/90/46/08/633904608.db2.gz NDEAXONCLUKTNQ-JTQLQIEISA-N 0 3 215.297 0.535 20 5 BCBDHN CC1(C)C[C@@H](O)CCN(CC[N+](=O)[O-])C1 ZINC000930651118 633987049 /nfs/dbraw/zinc/98/70/49/633987049.db2.gz QUBGYPAJIGODIZ-VIFPVBQESA-N 0 3 216.281 0.746 20 5 BCBDHN COC(=O)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905080014 637579879 /nfs/dbraw/zinc/57/98/79/637579879.db2.gz ATLKTFHHNKBLTI-MRVPVSSYSA-N 0 3 231.252 0.084 20 5 BCBDHN C[C@H](COCC(F)(F)F)NCC[N+](=O)[O-] ZINC000905066483 637597955 /nfs/dbraw/zinc/59/79/55/637597955.db2.gz RUXBCLZBPAUMBB-ZCFIWIBFSA-N 0 3 230.186 0.820 20 5 BCBDHN C[C@@H](CO[C@H]1CCOC1)NCC[N+](=O)[O-] ZINC000905158095 637639948 /nfs/dbraw/zinc/63/99/48/637639948.db2.gz DLOMRUSIVWNYAP-IUCAKERBSA-N 0 3 218.253 0.047 20 5 BCBDHN CC(C)OC(=O)CC[C@@H](C)NCC[N+](=O)[O-] ZINC000905244045 637703338 /nfs/dbraw/zinc/70/33/38/637703338.db2.gz UCOVQDFOXONESV-SECBINFHSA-N 0 3 232.280 0.973 20 5 BCBDHN Cc1cccc(CCNCC[N+](=O)[O-])n1 ZINC000905244664 637705463 /nfs/dbraw/zinc/70/54/63/637705463.db2.gz YZPQFVKWRFQUPG-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN O=[N+]([O-])CCNCCCc1nccs1 ZINC000905262627 637717758 /nfs/dbraw/zinc/71/77/58/637717758.db2.gz XFKPTFFSTFDNFB-UHFFFAOYSA-N 0 3 215.278 0.942 20 5 BCBDHN Cc1cccnc1CCNCC[N+](=O)[O-] ZINC000905278088 637734482 /nfs/dbraw/zinc/73/44/82/637734482.db2.gz FFDZWHBRALZJLE-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN Cc1ccc(CCNCC[N+](=O)[O-])nc1 ZINC000905280428 637735819 /nfs/dbraw/zinc/73/58/19/637735819.db2.gz NOZDYLPHZSXHPR-UHFFFAOYSA-N 0 3 209.249 0.799 20 5 BCBDHN CCOC1CC2(C[C@H]2NCC[N+](=O)[O-])C1 ZINC000905414846 637801691 /nfs/dbraw/zinc/80/16/91/637801691.db2.gz CCORDJHUIZJTIK-HWOCKDDLSA-N 0 3 214.265 0.810 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1ccoc1 ZINC000905418886 637805118 /nfs/dbraw/zinc/80/51/18/637805118.db2.gz MJNCZBOSORVZDG-JTQLQIEISA-N 0 3 228.248 0.297 20 5 BCBDHN O=[N+]([O-])CCN[C@H](CO)CCc1ccccc1 ZINC000905538629 637838399 /nfs/dbraw/zinc/83/83/99/637838399.db2.gz PZHSOWNKKDETNX-LBPRGKRZSA-N 0 3 238.287 0.846 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000905647867 637882016 /nfs/dbraw/zinc/88/20/16/637882016.db2.gz JEUKBNSRQYXPPE-UWVGGRQHSA-N 0 3 214.265 0.810 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@]2(C1)CCCOC2 ZINC000930376757 639740059 /nfs/dbraw/zinc/74/00/59/639740059.db2.gz OGPDGMMCZRLXIV-JTQLQIEISA-N 0 3 214.265 0.766 20 5 BCBDHN CON1CCC(N(C)CC[N+](=O)[O-])CC1 ZINC000930687059 639850674 /nfs/dbraw/zinc/85/06/74/639850674.db2.gz QDSPUUULZQOUON-UHFFFAOYSA-N 0 3 217.269 0.221 20 5 BCBDHN CN1CCN(CC[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000930883498 639970715 /nfs/dbraw/zinc/97/07/15/639970715.db2.gz RLNRLTYNKGMDHW-JTQLQIEISA-N 0 3 229.324 0.925 20 5 BCBDHN C[C@@H]1CCCN(CC[N+](=O)[O-])[C@@H]1CCO ZINC000930972224 640006410 /nfs/dbraw/zinc/00/64/10/640006410.db2.gz YMCDTICWVBCJIK-NXEZZACHSA-N 0 3 216.281 0.746 20 5 BCBDHN C[C@H]1CN(CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931065044 640054379 /nfs/dbraw/zinc/05/43/79/640054379.db2.gz DZFSHNCPGBYFJR-IUCAKERBSA-N 0 3 202.254 0.213 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000931504650 640236799 /nfs/dbraw/zinc/23/67/99/640236799.db2.gz JJHOAWUFGPDXDM-DCAQKATOSA-N 0 3 228.292 0.889 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931750982 640350605 /nfs/dbraw/zinc/35/06/05/640350605.db2.gz AUBNVOASWULQAK-UWVGGRQHSA-N 0 3 214.265 0.764 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931750981 640351052 /nfs/dbraw/zinc/35/10/52/640351052.db2.gz AUBNVOASWULQAK-NXEZZACHSA-N 0 3 214.265 0.764 20 5 BCBDHN O=C1CCN(CC[N+](=O)[O-])CCCCCN1 ZINC000934151506 641092444 /nfs/dbraw/zinc/09/24/44/641092444.db2.gz ADSJECYVNOFAPC-UHFFFAOYSA-N 0 3 229.280 0.255 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCOC12CCOCC2 ZINC000934399849 641141016 /nfs/dbraw/zinc/14/10/16/641141016.db2.gz PSZYDPCEYABBOL-SECBINFHSA-N 0 3 230.264 0.191 20 5 BCBDHN CN1CCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000916730901 641973312 /nfs/dbraw/zinc/97/33/12/641973312.db2.gz OXPFWTDCTDMLFX-ZETCQYMHSA-N 0 3 211.225 0.281 20 5 BCBDHN C[C@H](NC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282194 643127179 /nfs/dbraw/zinc/12/71/79/643127179.db2.gz RTONMFMKKNKTRV-KWQFWETISA-N 0 3 240.259 0.599 20 5 BCBDHN CCCN1CC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001042711415 710798471 /nfs/dbraw/zinc/79/84/71/710798471.db2.gz SMZXPNFPIYYOSU-NXEZZACHSA-N 0 3 241.291 0.204 20 5 BCBDHN C[C@@H](O)[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000717391511 712653814 /nfs/dbraw/zinc/65/38/14/712653814.db2.gz BAPPIFFPHYFFPM-LDYMZIIASA-N 0 3 240.259 0.426 20 5 BCBDHN O=[N+]([O-])CCN[C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000930590378 712712878 /nfs/dbraw/zinc/71/28/78/712712878.db2.gz SLMJQXXMMUOPOK-GHMZBOCLSA-N 0 3 244.291 0.173 20 5 BCBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000719571361 712811263 /nfs/dbraw/zinc/81/12/63/712811263.db2.gz GTFKTSGVCGFRDA-CBAPKCEASA-N 0 3 237.263 0.889 20 5 BCBDHN CCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)CO ZINC000292300556 398185504 /nfs/dbraw/zinc/18/55/04/398185504.db2.gz UUUIFDHAZNAJET-SECBINFHSA-N 0 3 242.279 0.494 20 5 BCBDHN C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])[C@H](C)CO ZINC000602554346 349596275 /nfs/dbraw/zinc/59/62/75/349596275.db2.gz HARXOXTULQFQCL-HTQZYQBOSA-N 0 3 242.279 0.435 20 5 BCBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000080685241 344473390 /nfs/dbraw/zinc/47/33/90/344473390.db2.gz RUPMFNVTBQXDTQ-UHFFFAOYSA-N 0 3 224.264 0.988 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1 ZINC000589101955 346664672 /nfs/dbraw/zinc/66/46/72/346664672.db2.gz QRUDVMDQBMUZEB-QMMMGPOBSA-N 0 3 240.263 0.324 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000589102064 346664820 /nfs/dbraw/zinc/66/48/20/346664820.db2.gz YARFJISACXTXPG-VIFPVBQESA-N 0 3 239.275 0.929 20 5 BCBDHN NC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000591668201 347683946 /nfs/dbraw/zinc/68/39/46/347683946.db2.gz OHIZDEMNKKAKGV-UHFFFAOYSA-N 0 3 247.254 0.975 20 5 BCBDHN NC(=O)[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000593670132 347924957 /nfs/dbraw/zinc/92/49/57/347924957.db2.gz MBORFQZCSIOAKC-AOOOYVTPSA-N 0 3 249.270 0.948 20 5 BCBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])s1 ZINC000596244101 348485853 /nfs/dbraw/zinc/48/58/53/348485853.db2.gz PDMMECBNMNOUKU-ZCFIWIBFSA-N 0 3 246.292 0.386 20 5 BCBDHN Cc1nn(C)c(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000168975393 180359103 /nfs/dbraw/zinc/35/91/03/180359103.db2.gz YTVQORAHXIXYEI-ZETCQYMHSA-N 0 3 241.295 0.999 20 5 BCBDHN Cc1c(CNC(=O)CN)cccc1[N+](=O)[O-] ZINC000231856628 351411657 /nfs/dbraw/zinc/41/16/57/351411657.db2.gz KYPVMDDMIWHBCX-UHFFFAOYSA-N 0 3 223.232 0.478 20 5 BCBDHN Cc1c(CNC(=O)[C@@H](C)N)cccc1[N+](=O)[O-] ZINC000231855969 351411938 /nfs/dbraw/zinc/41/19/38/351411938.db2.gz IURNRJSIMSBAOZ-MRVPVSSYSA-N 0 3 237.259 0.867 20 5 BCBDHN C[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1F ZINC000420217076 192192874 /nfs/dbraw/zinc/19/28/74/192192874.db2.gz IAFLONIUYZXXNM-ZETCQYMHSA-N 0 3 240.238 0.927 20 5 BCBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1 ZINC000420237357 192183064 /nfs/dbraw/zinc/18/30/64/192183064.db2.gz MDSJOHUTWKHQSA-ZETCQYMHSA-N 0 3 240.238 0.927 20 5 BCBDHN Cc1nc(N(C)C2CNC2)ncc1[N+](=O)[O-] ZINC000420258442 192188846 /nfs/dbraw/zinc/18/88/46/192188846.db2.gz LIBYCIBXDHZHCX-UHFFFAOYSA-N 0 3 223.236 0.101 20 5 BCBDHN CCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174819045 134282433 /nfs/dbraw/zinc/28/24/33/134282433.db2.gz VBZDRWUNOHVIMY-UHFFFAOYSA-N 0 3 228.252 0.106 20 5 BCBDHN NC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000083361906 181326940 /nfs/dbraw/zinc/32/69/40/181326940.db2.gz YYGPGZZKLGBNGK-UHFFFAOYSA-N 0 3 235.243 0.702 20 5 BCBDHN O=C([C@H]1CCN1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444142726 193036876 /nfs/dbraw/zinc/03/68/76/193036876.db2.gz KXZNIIGHJATZKL-SNVBAGLBSA-N 0 3 247.254 0.846 20 5 BCBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCNCC1 ZINC000020213957 371241695 /nfs/dbraw/zinc/24/16/95/371241695.db2.gz VCJZOHGKQPBSGP-UHFFFAOYSA-N 0 3 238.247 0.358 20 5 BCBDHN CN(C)C[C@@H](CO)Nc1ccsc1[N+](=O)[O-] ZINC000601163377 371731817 /nfs/dbraw/zinc/73/18/17/371731817.db2.gz IXVGSHGBAVSKAU-ZETCQYMHSA-N 0 3 245.304 0.991 20 5 BCBDHN Cn1ccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000126978292 384236233 /nfs/dbraw/zinc/23/62/33/384236233.db2.gz NTAYIOYSEICRTH-UHFFFAOYSA-N 0 3 249.274 0.920 20 5 BCBDHN COC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000070980158 384487397 /nfs/dbraw/zinc/48/73/97/384487397.db2.gz KIXGEJWSOLMHEH-LLVKDONJSA-N 0 3 240.259 0.692 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000424099951 384714359 /nfs/dbraw/zinc/71/43/59/384714359.db2.gz JSHNETNLAJYJOW-WDEREUQCSA-N 0 3 249.270 0.601 20 5 BCBDHN O=[N+]([O-])c1ccn(C2CCN(CCO)CC2)n1 ZINC000365124995 385167086 /nfs/dbraw/zinc/16/70/86/385167086.db2.gz PTBOZWAVOABDMO-UHFFFAOYSA-N 0 3 240.263 0.421 20 5 BCBDHN Cc1cc(=O)n(CCN(C)C)cc1[N+](=O)[O-] ZINC000096548167 385288932 /nfs/dbraw/zinc/28/89/32/385288932.db2.gz QQQTVPPXJUGQKZ-UHFFFAOYSA-N 0 3 225.248 0.627 20 5 BCBDHN C[C@@H]1C[C@H](O)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000340906160 385452739 /nfs/dbraw/zinc/45/27/39/385452739.db2.gz KQWJTCSBJZROAM-SCZZXKLOSA-N 0 3 240.263 0.246 20 5 BCBDHN Cc1ccc(CNC[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000090282378 388403974 /nfs/dbraw/zinc/40/39/74/388403974.db2.gz PWCBGJBDNLWTSJ-SNVBAGLBSA-N 0 3 240.259 0.346 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1CC(O)C1 ZINC000353484234 388371014 /nfs/dbraw/zinc/37/10/14/388371014.db2.gz QEANFAZHIFWGOA-UHFFFAOYSA-N 0 3 240.263 0.246 20 5 BCBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CN ZINC000037810224 388575640 /nfs/dbraw/zinc/57/56/40/388575640.db2.gz OOVVMJSCGBSUQP-UHFFFAOYSA-N 0 3 223.232 0.512 20 5 BCBDHN C[C@@H](NC(=O)CN)c1cccc([N+](=O)[O-])c1 ZINC000037766498 388642607 /nfs/dbraw/zinc/64/26/07/388642607.db2.gz NTVZMXKDZFYNMH-SSDOTTSWSA-N 0 3 223.232 0.731 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000424127988 388694983 /nfs/dbraw/zinc/69/49/83/388694983.db2.gz QLMSQQZTJDHCDH-VHSXEESVSA-N 0 3 249.270 0.601 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](CO)C2)n1 ZINC000177026559 134293787 /nfs/dbraw/zinc/29/37/87/134293787.db2.gz ACTRXVMXGZCORB-SECBINFHSA-N 0 3 240.263 0.106 20 5 BCBDHN CN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230873033 173033436 /nfs/dbraw/zinc/03/34/36/173033436.db2.gz QMSUFCHWYGXGEG-MRVPVSSYSA-N 0 3 237.263 0.891 20 5 BCBDHN CC(COC(=O)c1coc(C(N)=O)c1)[N+](=O)[O-] ZINC000813112152 582589049 /nfs/dbraw/zinc/58/90/49/582589049.db2.gz COQHCMNMJSFFSM-RXMQYKEDSA-N 0 3 242.187 0.201 20 5 BCBDHN Cc1cc(OCC(=O)OCC(C)[N+](=O)[O-])no1 ZINC000813103345 582580099 /nfs/dbraw/zinc/58/00/99/582580099.db2.gz OUDXLZPMEWSQEP-ZCFIWIBFSA-N 0 3 244.203 0.570 20 5 BCBDHN CC(COC(=O)[C@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000813112166 582589749 /nfs/dbraw/zinc/58/97/49/582589749.db2.gz CWMOMKFAYRYZIT-HTQZYQBOSA-N 0 3 241.247 0.732 20 5 BCBDHN CC(COC(=O)[C@@H]1[C@H]2CCCO[C@H]21)[N+](=O)[O-] ZINC000813114399 582591981 /nfs/dbraw/zinc/59/19/81/582591981.db2.gz QYWSYVDADRTHON-FNCVBFRFSA-N 0 3 229.232 0.620 20 5 BCBDHN CN1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000893938827 583253980 /nfs/dbraw/zinc/25/39/80/583253980.db2.gz GJWHIWBZXXRDEQ-WPRPVWTQSA-N 0 3 249.274 0.525 20 5 BCBDHN CC(C)[C@H](CNCC[N+](=O)[O-])N1CCOCC1 ZINC000899864372 584244261 /nfs/dbraw/zinc/24/42/61/584244261.db2.gz IIHRJGRVTFTJPU-NSHDSACASA-N 0 3 245.323 0.210 20 5 BCBDHN C[C@@H]1CCC[C@H](CNCC[N+](=O)[O-])O1 ZINC000899891941 584248957 /nfs/dbraw/zinc/24/89/57/584248957.db2.gz NGQRJUJYTABFTO-RKDXNWHRSA-N 0 3 202.254 0.810 20 5 BCBDHN C[C@H](O)CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749644938 585205084 /nfs/dbraw/zinc/20/50/84/585205084.db2.gz FYFRKUWEWHEMOB-GZMMTYOYSA-N 0 3 240.259 0.599 20 5 BCBDHN O=[N+]([O-])CCN(C[C@@H]1CCOC1)C1CC1 ZINC000791052711 585972684 /nfs/dbraw/zinc/97/26/84/585972684.db2.gz ASDHNQHQEGMIAH-VIFPVBQESA-N 0 3 214.265 0.764 20 5 BCBDHN CC(C)N1CCN(CC[N+](=O)[O-])CC1 ZINC000791053810 585973244 /nfs/dbraw/zinc/97/32/44/585973244.db2.gz QABNEKPIOHJLST-UHFFFAOYSA-N 0 3 201.270 0.289 20 5 BCBDHN CC(COC(=O)c1ccc(C(N)=O)o1)[N+](=O)[O-] ZINC000813102623 586591851 /nfs/dbraw/zinc/59/18/51/586591851.db2.gz TZDQBJUINXOTTK-YFKPBYRVSA-N 0 3 242.187 0.201 20 5 BCBDHN CC(COC(=O)CCCn1cccn1)[N+](=O)[O-] ZINC000813102846 586591927 /nfs/dbraw/zinc/59/19/27/586591927.db2.gz KEVVPZNYJKCOEC-SECBINFHSA-N 0 3 241.247 0.872 20 5 BCBDHN CC(COC(=O)CCn1cccn1)[N+](=O)[O-] ZINC000813104113 586592510 /nfs/dbraw/zinc/59/25/10/586592510.db2.gz KBRXFYAFKGVVCJ-QMMMGPOBSA-N 0 3 227.220 0.482 20 5 BCBDHN CC(COC(=O)Cc1ccnn1C)[N+](=O)[O-] ZINC000813106336 586592623 /nfs/dbraw/zinc/59/26/23/586592623.db2.gz BAIOBUKIEVBBQV-SSDOTTSWSA-N 0 3 227.220 0.171 20 5 BCBDHN CCO[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107988 586592864 /nfs/dbraw/zinc/59/28/64/586592864.db2.gz ZWPUEHPFFUKVHD-NKWVEPMBSA-N 0 3 205.210 0.620 20 5 BCBDHN CCOCCOCC(=O)OCC(C)[N+](=O)[O-] ZINC000813109240 586593337 /nfs/dbraw/zinc/59/33/37/586593337.db2.gz QCGUROLOTJXNJN-MRVPVSSYSA-N 0 3 235.236 0.248 20 5 BCBDHN Cc1nn(C)c(C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111825 586593401 /nfs/dbraw/zinc/59/34/01/586593401.db2.gz AJGUTRRMVHVNJI-ZCFIWIBFSA-N 0 3 241.247 0.859 20 5 BCBDHN CC(COC(=O)[C@@]1(C)CCC(=O)NC1)[N+](=O)[O-] ZINC000813111563 586593441 /nfs/dbraw/zinc/59/34/41/586593441.db2.gz UWJCOVOEGRDDJV-XCBNKYQSSA-N 0 3 244.247 0.111 20 5 BCBDHN CC(COC(=O)Cc1ccn(C)n1)[N+](=O)[O-] ZINC000813110774 586593485 /nfs/dbraw/zinc/59/34/85/586593485.db2.gz IYTZRUVORFTUNQ-SSDOTTSWSA-N 0 3 227.220 0.171 20 5 BCBDHN CC(COC(=O)COC[C@@H]1CCCO1)[N+](=O)[O-] ZINC000813111501 586593615 /nfs/dbraw/zinc/59/36/15/586593615.db2.gz TZNKICWMVYHDEJ-IUCAKERBSA-N 0 3 247.247 0.390 20 5 BCBDHN CC(COC(=O)[C@H]1CO[C@H](C)C1)[N+](=O)[O-] ZINC000813111025 586593704 /nfs/dbraw/zinc/59/37/04/586593704.db2.gz APFKWJYIOJFPLU-XLPZGREQSA-N 0 3 217.221 0.620 20 5 BCBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813115213 586594269 /nfs/dbraw/zinc/59/42/69/586594269.db2.gz MZRJBSPNJKTDFA-LURJTMIESA-N 0 3 227.220 0.551 20 5 BCBDHN CC(COC(=O)[C@H]1CCCOC1)[N+](=O)[O-] ZINC000813115700 586594313 /nfs/dbraw/zinc/59/43/13/586594313.db2.gz YDKVZBOVSMGLIF-SFYZADRCSA-N 0 3 217.221 0.621 20 5 BCBDHN Cc1[nH]nc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813115263 586594413 /nfs/dbraw/zinc/59/44/13/586594413.db2.gz NWXAFUHEEBOVKE-YFKPBYRVSA-N 0 3 227.220 0.849 20 5 BCBDHN CN(C)CCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826604760 587356132 /nfs/dbraw/zinc/35/61/32/587356132.db2.gz RCHAEZCMHUUQAW-UHFFFAOYSA-N 0 3 245.323 0.842 20 5 BCBDHN CC(COC(=O)[C@H]1CC1(F)F)[N+](=O)[O-] ZINC000835455013 587802972 /nfs/dbraw/zinc/80/29/72/587802972.db2.gz MAOUAVHNPQUJQO-RFZPGFLSSA-N 0 3 209.148 0.850 20 5 BCBDHN CCn1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000842802176 588065104 /nfs/dbraw/zinc/06/51/04/588065104.db2.gz SBGAEIMOGCZQPB-ZETCQYMHSA-N 0 3 227.220 0.725 20 5 BCBDHN C[C@@H](CO)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843071824 588078987 /nfs/dbraw/zinc/07/89/87/588078987.db2.gz OJAFNLIOASTPDW-GZMMTYOYSA-N 0 3 240.259 0.599 20 5 BCBDHN CC(COC(=O)[C@H]1[C@@H]2COC[C@@H]21)[N+](=O)[O-] ZINC000851036517 588585444 /nfs/dbraw/zinc/58/54/44/588585444.db2.gz JQPPTXQCSAKJSU-NGJRWZKOSA-N 0 3 215.205 0.087 20 5 BCBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1CCOC1 ZINC000851036256 588585513 /nfs/dbraw/zinc/58/55/13/588585513.db2.gz GBMQHTYTDAVCCB-VGMNWLOBSA-N 0 3 247.247 0.246 20 5 BCBDHN C[C@@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642161 589387084 /nfs/dbraw/zinc/38/70/84/589387084.db2.gz ITYDUCAXNYPMJD-ZCFIWIBFSA-N 0 3 213.241 0.353 20 5 BCBDHN CC[C@](C)(N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642252 589386885 /nfs/dbraw/zinc/38/68/85/589386885.db2.gz LFRMGQRKGQTHFV-JTQLQIEISA-N 0 3 241.295 0.917 20 5 BCBDHN CN(CCO)CCNc1ncccc1[N+](=O)[O-] ZINC000884823457 592022903 /nfs/dbraw/zinc/02/29/03/592022903.db2.gz VAEVLXXIIMJLBA-UHFFFAOYSA-N 0 3 240.263 0.326 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[C@@H]3C2)c1 ZINC000886336278 592211454 /nfs/dbraw/zinc/21/14/54/592211454.db2.gz PDFINRJYIWATOV-DTORHVGOSA-N 0 3 222.248 0.743 20 5 BCBDHN CCOC(=O)CCCNCC[N+](=O)[O-] ZINC000905041264 637559395 /nfs/dbraw/zinc/55/93/95/637559395.db2.gz QVCAGUMYBNFMFN-UHFFFAOYSA-N 0 3 204.226 0.196 20 5 BCBDHN CN(CCCNCC[N+](=O)[O-])CC(F)(F)F ZINC000905049346 637566146 /nfs/dbraw/zinc/56/61/46/637566146.db2.gz OVJIGGMXWWDNIA-UHFFFAOYSA-N 0 3 243.229 0.737 20 5 BCBDHN CC[S@](=O)[C@H]1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905153479 637635724 /nfs/dbraw/zinc/63/57/24/637635724.db2.gz FMSAUELFMIYQHK-LSYCYVAJSA-N 0 3 248.348 0.933 20 5 BCBDHN CCC(O)(CC)CCNCC[N+](=O)[O-] ZINC000905230852 637690265 /nfs/dbraw/zinc/69/02/65/637690265.db2.gz RWRSAMUWVQPCKA-UHFFFAOYSA-N 0 3 204.270 0.794 20 5 BCBDHN C[S@](=O)C1(CNCC[N+](=O)[O-])CCC1 ZINC000905245081 637705288 /nfs/dbraw/zinc/70/52/88/637705288.db2.gz UYFSXFVJBOLWKP-AWEZNQCLSA-N 0 3 220.294 0.154 20 5 BCBDHN CC[C@H](C)C[C@H](CO)NCC[N+](=O)[O-] ZINC000905358831 637777147 /nfs/dbraw/zinc/77/71/47/637777147.db2.gz QUPDIUNWGDLYDG-DTWKUNHWSA-N 0 3 204.270 0.650 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](O)CCc1ccccc1 ZINC000905362043 637780042 /nfs/dbraw/zinc/78/00/42/637780042.db2.gz RRYDCHDLIDFLAN-GFCCVEGCSA-N 0 3 238.287 0.846 20 5 BCBDHN C[C@@]1(CNCC[N+](=O)[O-])CCCC[C@@H]1O ZINC000905361603 637780722 /nfs/dbraw/zinc/78/07/22/637780722.db2.gz QFPKDPPXBJRAMR-UWVGGRQHSA-N 0 3 216.281 0.794 20 5 BCBDHN CO[C@@]1(CNCC[N+](=O)[O-])CCSC1 ZINC000905546860 637842521 /nfs/dbraw/zinc/84/25/21/637842521.db2.gz PTTBTCPEZSQNGF-MRVPVSSYSA-N 0 3 220.294 0.375 20 5 BCBDHN C[C@]1(O)CCCN(CC[N+](=O)[O-])CC1 ZINC000930279238 639678219 /nfs/dbraw/zinc/67/82/19/639678219.db2.gz LTTRJDKTMQVGDX-VIFPVBQESA-N 0 3 202.254 0.500 20 5 BCBDHN O=[N+]([O-])CCN1CCC[C@@H](CCO)CC1 ZINC000930754271 639898395 /nfs/dbraw/zinc/89/83/95/639898395.db2.gz MYYFLYPKHFZQMZ-SNVBAGLBSA-N 0 3 216.281 0.748 20 5 BCBDHN C[C@@H]1CCCN(CC[N+](=O)[O-])[C@H]1CCO ZINC000930972228 640004144 /nfs/dbraw/zinc/00/41/44/640004144.db2.gz YMCDTICWVBCJIK-ZJUUUORDSA-N 0 3 216.281 0.746 20 5 BCBDHN C[C@]12COC[C@H]1CN(CC[N+](=O)[O-])C2 ZINC000931021614 640025791 /nfs/dbraw/zinc/02/57/91/640025791.db2.gz ZUGSCRWKQKZVSL-BDAKNGLRSA-N 0 3 200.238 0.231 20 5 BCBDHN O=[N+]([O-])CCN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000931750984 640349467 /nfs/dbraw/zinc/34/94/67/640349467.db2.gz AUBNVOASWULQAK-ZJUUUORDSA-N 0 3 214.265 0.764 20 5 BCBDHN CN1CCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000916730900 641973793 /nfs/dbraw/zinc/97/37/93/641973793.db2.gz OXPFWTDCTDMLFX-SSDOTTSWSA-N 0 3 211.225 0.281 20 5 BCBDHN CC(C)C[C@@H]1CN(C)CCN1CC[N+](=O)[O-] ZINC000933256135 642423455 /nfs/dbraw/zinc/42/34/55/642423455.db2.gz JXDJWLXNCNLILJ-LLVKDONJSA-N 0 3 229.324 0.925 20 5 BCBDHN C[C@@H](NC[C@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000090282195 643127994 /nfs/dbraw/zinc/12/79/94/643127994.db2.gz RTONMFMKKNKTRV-KCJUWKMLSA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@@H](NC[C@H](O)CO)c1cccc([N+](=O)[O-])c1 ZINC000090282426 643129401 /nfs/dbraw/zinc/12/94/01/643129401.db2.gz VUFZORXZPQNCPX-KCJUWKMLSA-N 0 3 240.259 0.599 20 5 BCBDHN C[C@@H](O)[C@H]1CCCCN1CC[N+](=O)[O-] ZINC000929594946 646190512 /nfs/dbraw/zinc/19/05/12/646190512.db2.gz KRARSPJDAIKJPF-RKDXNWHRSA-N 0 3 202.254 0.498 20 5 BCBDHN O=[N+]([O-])CCN1CCC2(C1)CCOCC2 ZINC000929757499 646288344 /nfs/dbraw/zinc/28/83/44/646288344.db2.gz RFGZXYJTOVJTIU-UHFFFAOYSA-N 0 3 214.265 0.766 20 5 BCBDHN COC/C=C/C(=O)OCC(C)[N+](=O)[O-] ZINC000870377338 712623846 /nfs/dbraw/zinc/62/38/46/712623846.db2.gz PZDOFPOFRPEKPA-SDLBARTOSA-N 0 3 203.194 0.397 20 5 BCBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N(C)C ZINC000046275734 343108513 /nfs/dbraw/zinc/10/85/13/343108513.db2.gz PIQKWXBLVYDQDI-SSDOTTSWSA-N 0 3 241.247 0.868 20 5 BCBDHN C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1 ZINC000596016977 348431339 /nfs/dbraw/zinc/43/13/39/348431339.db2.gz XLXCJHIWRUCEIL-ZETCQYMHSA-N 0 3 237.263 0.370 20 5 BCBDHN Cc1ccc(CNCCO)cc1[N+](=O)[O-] ZINC000034994559 351375780 /nfs/dbraw/zinc/37/57/80/351375780.db2.gz WVLHNWOYQKKHNB-UHFFFAOYSA-N 0 3 210.233 0.985 20 5 BCBDHN CNCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943220 353137100 /nfs/dbraw/zinc/13/71/00/353137100.db2.gz JDVLXPKPRWUKDQ-UHFFFAOYSA-N 0 3 223.232 0.430 20 5 BCBDHN C[C@H](CN(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000130596517 363426181 /nfs/dbraw/zinc/42/61/81/363426181.db2.gz RJYPRBVMFWBIRV-SSDOTTSWSA-N 0 3 227.268 0.690 20 5 BCBDHN Cc1nc(N2CCNC[C@H]2C)ncc1[N+](=O)[O-] ZINC000420218431 192194019 /nfs/dbraw/zinc/19/40/19/192194019.db2.gz MXTIOTGISQELMJ-SSDOTTSWSA-N 0 3 237.263 0.491 20 5 BCBDHN CCN(C)CCNc1c([N+](=O)[O-])ncn1C ZINC000049320550 356415456 /nfs/dbraw/zinc/41/54/56/356415456.db2.gz NGEOIKSSMNCGBK-UHFFFAOYSA-N 0 3 227.268 0.692 20 5 BCBDHN CN(C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054613869 363519526 /nfs/dbraw/zinc/51/95/26/363519526.db2.gz FBAUDFIPVKDDDM-UHFFFAOYSA-N 0 3 210.237 0.963 20 5 BCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H](C)N1 ZINC000053712442 357157448 /nfs/dbraw/zinc/15/74/48/357157448.db2.gz ZBUODDVTVSMLRQ-OCAPTIKFSA-N 0 3 237.263 0.571 20 5 BCBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000083065670 359783508 /nfs/dbraw/zinc/78/35/08/359783508.db2.gz JONRBVHOVDUTNI-UHFFFAOYSA-N 0 3 240.263 0.557 20 5 BCBDHN C[C@H](CN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000130633841 363854668 /nfs/dbraw/zinc/85/46/68/363854668.db2.gz BHNLRGCEILHGEL-SSDOTTSWSA-N 0 3 225.252 0.747 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)CO ZINC000123152338 369404865 /nfs/dbraw/zinc/40/48/65/369404865.db2.gz DGDMOIZSAPKKOH-MRVPVSSYSA-N 0 3 242.279 0.412 20 5 BCBDHN CC(C)[C@@H](CO)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602807941 371842660 /nfs/dbraw/zinc/84/26/60/371842660.db2.gz VMOVSHNQNMHXCE-SECBINFHSA-N 0 3 242.279 0.435 20 5 BCBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287258332 383875375 /nfs/dbraw/zinc/87/53/75/383875375.db2.gz RMICEPRSHIUHSG-ZETCQYMHSA-N 0 3 240.263 0.603 20 5 BCBDHN C[C@]1(O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177977041 383993871 /nfs/dbraw/zinc/99/38/71/383993871.db2.gz XPDMTQVADNQOHF-JTQLQIEISA-N 0 3 240.263 0.248 20 5 BCBDHN C[C@H](CC(N)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000135718030 384302124 /nfs/dbraw/zinc/30/21/24/384302124.db2.gz CRLVSKPRXJLXOA-MRVPVSSYSA-N 0 3 237.259 0.948 20 5 BCBDHN C[C@@H](CC(N)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000135717998 384302171 /nfs/dbraw/zinc/30/21/71/384302171.db2.gz CRLVSKPRXJLXOA-QMMMGPOBSA-N 0 3 237.259 0.948 20 5 BCBDHN C[C@@H](CN(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000130596334 385265380 /nfs/dbraw/zinc/26/53/80/385265380.db2.gz RJYPRBVMFWBIRV-ZETCQYMHSA-N 0 3 227.268 0.690 20 5 BCBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000397845456 385723990 /nfs/dbraw/zinc/72/39/90/385723990.db2.gz IAKKXLKNKHYJEF-UHFFFAOYSA-N 0 3 237.263 0.891 20 5 BCBDHN C[C@@H](NCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293905809 386112418 /nfs/dbraw/zinc/11/24/18/386112418.db2.gz WRMWHYGSDABVER-SSDOTTSWSA-N 0 3 225.248 0.820 20 5 BCBDHN CCN(CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267377116 386762794 /nfs/dbraw/zinc/76/27/94/386762794.db2.gz TYCLSYUUSHZYRW-UHFFFAOYSA-N 0 3 242.279 0.496 20 5 BCBDHN O=[N+]([O-])c1ncn(CCN2CCCCC2)n1 ZINC000359012344 387045107 /nfs/dbraw/zinc/04/51/07/387045107.db2.gz MAOMBORSXIYQTG-UHFFFAOYSA-N 0 3 225.252 0.672 20 5 BCBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000001626203 387131590 /nfs/dbraw/zinc/13/15/90/387131590.db2.gz AWEJRZRNZDXEOX-UHFFFAOYSA-N 0 3 240.263 0.225 20 5 BCBDHN CN(C)CCNc1c([N+](=O)[O-])ncn1C ZINC000006423747 387445112 /nfs/dbraw/zinc/44/51/12/387445112.db2.gz VEEYMSUESJGSSW-UHFFFAOYSA-N 0 3 213.241 0.302 20 5 BCBDHN CN(C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000012021565 388713552 /nfs/dbraw/zinc/71/35/52/388713552.db2.gz RWWSBJHOLZAIGO-UHFFFAOYSA-N 0 3 237.259 0.886 20 5 BCBDHN C[C@H](Cn1cc([N+](=O)[O-])ccc1=O)N(C)C ZINC000330893535 388761808 /nfs/dbraw/zinc/76/18/08/388761808.db2.gz YVQZLMOGCJHODK-MRVPVSSYSA-N 0 3 225.248 0.707 20 5 BCBDHN CN(C)C1CN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283746576 388824449 /nfs/dbraw/zinc/82/44/49/388824449.db2.gz KDUXCKZNRKXFEM-UHFFFAOYSA-N 0 3 236.275 0.927 20 5 BCBDHN COc1ccc(CNC(=O)CN)cc1[N+](=O)[O-] ZINC000083366740 175103787 /nfs/dbraw/zinc/10/37/87/175103787.db2.gz PQZJWQUCEKIROH-UHFFFAOYSA-N 0 3 239.231 0.178 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCN1C ZINC000049099937 323157572 /nfs/dbraw/zinc/15/75/72/323157572.db2.gz ZSUCDTPASFEBHX-MRVPVSSYSA-N 0 3 239.279 0.834 20 5 BCBDHN CCN(CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049754422 491085214 /nfs/dbraw/zinc/08/52/14/491085214.db2.gz JJXCVVXTJIHSAX-UHFFFAOYSA-N 0 3 242.279 0.414 20 5 BCBDHN CC(COC(=O)CCc1ccncn1)[N+](=O)[O-] ZINC000813110729 582588542 /nfs/dbraw/zinc/58/85/42/582588542.db2.gz IGTJCRLMFIXULY-MRVPVSSYSA-N 0 3 239.231 0.618 20 5 BCBDHN CC(COC(=O)C1=CCOCC1)[N+](=O)[O-] ZINC000813102260 582580003 /nfs/dbraw/zinc/58/00/03/582580003.db2.gz CVVHMISKQNHNJL-SSDOTTSWSA-N 0 3 215.205 0.542 20 5 BCBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])N(C)C ZINC000813102236 582580125 /nfs/dbraw/zinc/58/01/25/582580125.db2.gz CGFNAUUPVMHAHT-RKDXNWHRSA-N 0 3 232.280 0.781 20 5 BCBDHN CC(COC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)[N+](=O)[O-] ZINC000813114401 582592149 /nfs/dbraw/zinc/59/21/49/582592149.db2.gz QYWSYVDADRTHON-XAVMHZPKSA-N 0 3 229.232 0.620 20 5 BCBDHN CC(COC(=O)[C@@H]1C[C@H](C)CO1)[N+](=O)[O-] ZINC000893047269 583037889 /nfs/dbraw/zinc/03/78/89/583037889.db2.gz LPODQNDAPJASTK-FXQIFTODSA-N 0 3 217.221 0.620 20 5 BCBDHN CC(COC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[N+](=O)[O-] ZINC000838965734 585082504 /nfs/dbraw/zinc/08/25/04/585082504.db2.gz YMXRAEJHIXPXPQ-BZNPZCIMSA-N 0 3 241.243 0.810 20 5 BCBDHN O=[N+]([O-])c1ccnn1CCN1CCCC1 ZINC000789914528 585953170 /nfs/dbraw/zinc/95/31/70/585953170.db2.gz PHDHOLAAARDFKJ-UHFFFAOYSA-N 0 3 210.237 0.887 20 5 BCBDHN CC(C)(C)CN(CCCO)CC[N+](=O)[O-] ZINC000791052495 585972931 /nfs/dbraw/zinc/97/29/31/585972931.db2.gz ONMNFRAREUDPTI-UHFFFAOYSA-N 0 3 218.297 0.994 20 5 BCBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813101593 586591780 /nfs/dbraw/zinc/59/17/80/586591780.db2.gz DUZSWCHZFAOYBY-HTQZYQBOSA-N 0 3 219.237 0.866 20 5 BCBDHN CC(COC(=O)C[C@@H]1CCCC(=O)N1)[N+](=O)[O-] ZINC000813102914 586591947 /nfs/dbraw/zinc/59/19/47/586591947.db2.gz LOEFKHOYSXGHGM-YUMQZZPRSA-N 0 3 244.247 0.254 20 5 BCBDHN CC(COC(=O)C[C@H]1CCCC(=O)N1)[N+](=O)[O-] ZINC000813102911 586592155 /nfs/dbraw/zinc/59/21/55/586592155.db2.gz LOEFKHOYSXGHGM-HTQZYQBOSA-N 0 3 244.247 0.254 20 5 BCBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813107059 586592619 /nfs/dbraw/zinc/59/26/19/586592619.db2.gz LKPZJHGOODQDCA-ZETCQYMHSA-N 0 3 227.220 0.725 20 5 BCBDHN CC(COC(=O)c1cncnc1)[N+](=O)[O-] ZINC000813109767 586593063 /nfs/dbraw/zinc/59/30/63/586593063.db2.gz WKIMIDUHGFXWQT-LURJTMIESA-N 0 3 211.177 0.299 20 5 BCBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108509 586593107 /nfs/dbraw/zinc/59/31/07/586593107.db2.gz ZHBGPPOYKYWBPU-ZETCQYMHSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)CCc1ccnn1C)[N+](=O)[O-] ZINC000813110041 586593197 /nfs/dbraw/zinc/59/31/97/586593197.db2.gz ZBJCREBUYDVCKO-MRVPVSSYSA-N 0 3 241.247 0.561 20 5 BCBDHN CC(COC(=O)c1cccnc1)[N+](=O)[O-] ZINC000813110202 586593199 /nfs/dbraw/zinc/59/31/99/586593199.db2.gz URFXGWQUPVIHNW-ZETCQYMHSA-N 0 3 210.189 0.904 20 5 BCBDHN COCCOCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813108932 586593319 /nfs/dbraw/zinc/59/33/19/586593319.db2.gz MPQNMHPOASFUDX-MRVPVSSYSA-N 0 3 235.236 0.248 20 5 BCBDHN CC(COC(=O)c1cocn1)[N+](=O)[O-] ZINC000813109993 586593351 /nfs/dbraw/zinc/59/33/51/586593351.db2.gz YGTWAIZDEIMAMX-RXMQYKEDSA-N 0 3 200.150 0.497 20 5 BCBDHN COCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813108508 586593355 /nfs/dbraw/zinc/59/33/55/586593355.db2.gz ZHBGPPOYKYWBPU-SSDOTTSWSA-N 0 3 217.221 0.621 20 5 BCBDHN CC(COC(=O)[C@H]1C[C@@]12CCOC2)[N+](=O)[O-] ZINC000813109329 586593357 /nfs/dbraw/zinc/59/33/57/586593357.db2.gz ICMWJWRXTZIKDE-NQMVMOMDSA-N 0 3 229.232 0.621 20 5 BCBDHN CC(COC(=O)[C@]1(C)CCC(=O)NC1)[N+](=O)[O-] ZINC000813111561 586593491 /nfs/dbraw/zinc/59/34/91/586593491.db2.gz UWJCOVOEGRDDJV-GMSGAONNSA-N 0 3 244.247 0.111 20 5 BCBDHN CCCn1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000813110767 586593543 /nfs/dbraw/zinc/59/35/43/586593543.db2.gz IWUGMTYWDJWFDF-ZETCQYMHSA-N 0 3 242.235 0.510 20 5 BCBDHN CC(COC(=O)[C@@H]1CCN(C)C(=O)C1)[N+](=O)[O-] ZINC000813112592 586593892 /nfs/dbraw/zinc/59/38/92/586593892.db2.gz IXPPIOBDQQYNAQ-JGVFFNPUSA-N 0 3 244.247 0.063 20 5 BCBDHN CCOC(=O)C(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114355 586594026 /nfs/dbraw/zinc/59/40/26/586594026.db2.gz QMAJTYGPZSWJIM-SSDOTTSWSA-N 0 3 247.247 0.784 20 5 BCBDHN CC(COC(=O)CN(C)C(=O)C1CC1)[N+](=O)[O-] ZINC000813112581 586594028 /nfs/dbraw/zinc/59/40/28/586594028.db2.gz ITJSCRFYQKAULO-ZETCQYMHSA-N 0 3 244.247 0.063 20 5 BCBDHN CC(COC(=O)CN(C)C(=O)C1CC1)[N+](=O)[O-] ZINC000813112580 586594139 /nfs/dbraw/zinc/59/41/39/586594139.db2.gz ITJSCRFYQKAULO-SSDOTTSWSA-N 0 3 244.247 0.063 20 5 BCBDHN COC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813115615 586594279 /nfs/dbraw/zinc/59/42/79/586594279.db2.gz WIJXMLMVONNTAV-ZCFIWIBFSA-N 0 3 205.210 0.620 20 5 BCBDHN CCOC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813115607 586594322 /nfs/dbraw/zinc/59/43/22/586594322.db2.gz WDPLMZQBGKJRKH-SSDOTTSWSA-N 0 3 245.231 0.538 20 5 BCBDHN CC(COC(=O)[C@@H]1CC1(F)F)[N+](=O)[O-] ZINC000835455028 587803106 /nfs/dbraw/zinc/80/31/06/587803106.db2.gz MAOUAVHNPQUJQO-WHFBIAKZSA-N 0 3 209.148 0.850 20 5 BCBDHN CC(COC(=O)COCC(F)F)[N+](=O)[O-] ZINC000860776125 589119527 /nfs/dbraw/zinc/11/95/27/589119527.db2.gz BWRPHJJAMFFQME-RXMQYKEDSA-N 0 3 227.163 0.477 20 5 BCBDHN CC(COC(=O)C1(F)CCOCC1)[N+](=O)[O-] ZINC000870376439 589660890 /nfs/dbraw/zinc/66/08/90/589660890.db2.gz JOQDHQLORRANLF-SSDOTTSWSA-N 0 3 235.211 0.714 20 5 BCBDHN CC[C@H](NC(C)=O)C(=O)OCC(C)[N+](=O)[O-] ZINC000870378848 589661334 /nfs/dbraw/zinc/66/13/34/589661334.db2.gz YEUWITWOWSCUFB-XPUUQOCRSA-N 0 3 232.236 0.110 20 5 BCBDHN CC[C@@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870377263 589661459 /nfs/dbraw/zinc/66/14/59/589661459.db2.gz PLRLOWHPLLZVMQ-GMSGAONNSA-N 0 3 244.247 0.111 20 5 BCBDHN CC[C@]1(C(=O)OCC(C)[N+](=O)[O-])CCNC1=O ZINC000870377270 589661643 /nfs/dbraw/zinc/66/16/43/589661643.db2.gz PLRLOWHPLLZVMQ-XVKPBYJWSA-N 0 3 244.247 0.111 20 5 BCBDHN Cc1ccc(CNC(=O)CN)cc1[N+](=O)[O-] ZINC000877241251 590302118 /nfs/dbraw/zinc/30/21/18/590302118.db2.gz OLARFHKAJAEFKV-UHFFFAOYSA-N 0 3 223.232 0.478 20 5 BCBDHN CN(C)C1CN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882140152 591305804 /nfs/dbraw/zinc/30/58/04/591305804.db2.gz KWFBPQZMKOXEJR-UHFFFAOYSA-N 0 3 240.238 0.879 20 5 BCBDHN CN(CCO)CCNc1sccc1[N+](=O)[O-] ZINC000884825487 592023352 /nfs/dbraw/zinc/02/33/52/592023352.db2.gz ZLNFNAVSPSUFBI-UHFFFAOYSA-N 0 3 245.304 0.992 20 5 BCBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CO)C1CC1 ZINC000886129295 592159957 /nfs/dbraw/zinc/15/99/57/592159957.db2.gz BDWCEGWJEJAWAR-JTQLQIEISA-N 0 3 237.259 0.850 20 5 BCBDHN O=[N+]([O-])c1ncccc1CN[C@H](CO)C1CC1 ZINC000886129296 592159971 /nfs/dbraw/zinc/15/99/71/592159971.db2.gz BDWCEGWJEJAWAR-SNVBAGLBSA-N 0 3 237.259 0.850 20 5 BCBDHN CC(C)[C@H]1CN(C)CCN1CC[N+](=O)[O-] ZINC000930574805 633903856 /nfs/dbraw/zinc/90/38/56/633903856.db2.gz NDEAXONCLUKTNQ-SNVBAGLBSA-N 0 3 215.297 0.535 20 5 BCBDHN CCOC(=O)C[C@@H](C)CNCC[N+](=O)[O-] ZINC000905186419 637668041 /nfs/dbraw/zinc/66/80/41/637668041.db2.gz AVXXNXVMKILCQW-MRVPVSSYSA-N 0 3 218.253 0.442 20 5 BCBDHN CCOC(=O)CC[C@H](C)NCC[N+](=O)[O-] ZINC000905192323 637671181 /nfs/dbraw/zinc/67/11/81/637671181.db2.gz ZHMDMLBFWUWDCG-QMMMGPOBSA-N 0 3 218.253 0.585 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCc2n[nH]cc2C1 ZINC000905167837 637680356 /nfs/dbraw/zinc/68/03/56/637680356.db2.gz WDGWKPSJCRVGIK-QMMMGPOBSA-N 0 3 210.237 0.133 20 5 BCBDHN COc1cc(CCNCC[N+](=O)[O-])ccc1O ZINC000905175105 637683683 /nfs/dbraw/zinc/68/36/83/637683683.db2.gz MRNLJOBBBPWNIV-UHFFFAOYSA-N 0 3 240.259 0.810 20 5 BCBDHN C[S@@](=O)C1(CNCC[N+](=O)[O-])CCC1 ZINC000905245082 637704845 /nfs/dbraw/zinc/70/48/45/637704845.db2.gz UYFSXFVJBOLWKP-CQSZACIVSA-N 0 3 220.294 0.154 20 5 BCBDHN O=[N+]([O-])CCNCCc1ccc2c[nH]nc2c1 ZINC000905256838 637714650 /nfs/dbraw/zinc/71/46/50/637714650.db2.gz RTNBVSPLKDDMEI-UHFFFAOYSA-N 0 3 234.259 0.972 20 5 BCBDHN CC[C@H](C)[C@H](CNCC[N+](=O)[O-])OC ZINC000905273074 637731577 /nfs/dbraw/zinc/73/15/77/637731577.db2.gz KBWREJOCUACVEN-IUCAKERBSA-N 0 3 204.270 0.914 20 5 BCBDHN CC[C@@H](C)[C@@H](CNCC[N+](=O)[O-])OC ZINC000905273075 637732464 /nfs/dbraw/zinc/73/24/64/637732464.db2.gz KBWREJOCUACVEN-RKDXNWHRSA-N 0 3 204.270 0.914 20 5 BCBDHN CC(C)O[C@H]1C[C@@H](NCC[N+](=O)[O-])C1 ZINC000905283904 637738333 /nfs/dbraw/zinc/73/83/33/637738333.db2.gz JARGMXAOIKCXMK-DTORHVGOSA-N 0 3 202.254 0.809 20 5 BCBDHN CO[C@H]([C@@H](C)NCC[N+](=O)[O-])C1CC1 ZINC000905278032 637735930 /nfs/dbraw/zinc/73/59/30/637735930.db2.gz BEJZPTCAIRDZOP-VXNVDRBHSA-N 0 3 202.254 0.666 20 5 BCBDHN CC(C)(CNCC[N+](=O)[O-])C1(O)CCOCC1 ZINC000905291219 637741608 /nfs/dbraw/zinc/74/16/08/637741608.db2.gz ZDEYSPHRTCLLPQ-UHFFFAOYSA-N 0 3 246.307 0.420 20 5 BCBDHN O=[N+]([O-])CCNC[C@H](CO)c1ccccc1 ZINC000905351502 637771694 /nfs/dbraw/zinc/77/16/94/637771694.db2.gz TZJLGAKUHXQMLI-LLVKDONJSA-N 0 3 224.260 0.629 20 5 BCBDHN O=[N+]([O-])CCNCC[C@@H](O)c1ccccc1 ZINC000905363596 637788101 /nfs/dbraw/zinc/78/81/01/637788101.db2.gz ZBZFRXUJLWHECT-LLVKDONJSA-N 0 3 224.260 0.976 20 5 BCBDHN C[C@@H]1C[C@@]2(CC[C@H](CNCC[N+](=O)[O-])O2)CO1 ZINC000905480592 637819543 /nfs/dbraw/zinc/81/95/43/637819543.db2.gz AKHORLGBPWPXEL-MXWKQRLJSA-N 0 3 244.291 0.579 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1COC2(CCC2)C1 ZINC000905455615 637821797 /nfs/dbraw/zinc/82/17/97/637821797.db2.gz ZUSCRQVBLWRBLF-QMMMGPOBSA-N 0 3 200.238 0.564 20 5 BCBDHN O=[N+]([O-])CCNC[C@H]1CC[C@H](C2CC2)O1 ZINC000905647865 637881634 /nfs/dbraw/zinc/88/16/34/637881634.db2.gz JEUKBNSRQYXPPE-NXEZZACHSA-N 0 3 214.265 0.810 20 5 BCBDHN 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CO[C@@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC000930700128 639866856 /nfs/dbraw/zinc/86/68/56/639866856.db2.gz PPGBKICPNLLMGA-DTWKUNHWSA-N 0 3 214.265 0.810 20 5 BCBDHN COC1([C@H](C)NCC[N+](=O)[O-])CCC1 ZINC000930723283 639876753 /nfs/dbraw/zinc/87/67/53/639876753.db2.gz XLFIIFVZWSKQKE-QMMMGPOBSA-N 0 3 202.254 0.810 20 5 BCBDHN O=[N+]([O-])CCN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000930929582 639992911 /nfs/dbraw/zinc/99/29/11/639992911.db2.gz SAZFQONXDYNYNF-KXUCPTDWSA-N 0 3 214.265 0.356 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1C[C@H](O)C12CCC2 ZINC000931021736 640025419 /nfs/dbraw/zinc/02/54/19/640025419.db2.gz KFXFDCQCQUDQDS-YUMQZZPRSA-N 0 3 200.238 0.156 20 5 BCBDHN O=C1CCN(CC[N+](=O)[O-])CCCCCCN1 ZINC000931467887 640227213 /nfs/dbraw/zinc/22/72/13/640227213.db2.gz PCGZOGIWDZBKCR-UHFFFAOYSA-N 0 3 243.307 0.645 20 5 BCBDHN COC(=O)C[C@@](C)(NCC[N+](=O)[O-])C1CC1 ZINC000931509456 640238011 /nfs/dbraw/zinc/23/80/11/640238011.db2.gz PEAFUNSOIJYSEI-SNVBAGLBSA-N 0 3 230.264 0.585 20 5 BCBDHN CC(C)(O)[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000931610661 640287830 /nfs/dbraw/zinc/28/78/30/640287830.db2.gz DKWAWCGCORZKKK-SECBINFHSA-N 0 3 216.281 0.746 20 5 BCBDHN O=[N+]([O-])CCN[C@H]1CCOC12CCCC2 ZINC000934381140 641135807 /nfs/dbraw/zinc/13/58/07/641135807.db2.gz MVQFCGONXNAFKM-VIFPVBQESA-N 0 3 214.265 0.954 20 5 BCBDHN C[C@]12CSC[C@H]1CN(CC[N+](=O)[O-])C2 ZINC000934770231 641263586 /nfs/dbraw/zinc/26/35/86/641263586.db2.gz XMSDEUXNNKPNAQ-BDAKNGLRSA-N 0 3 216.306 0.948 20 5 BCBDHN Cc1nccn1CCCN(C)CC[N+](=O)[O-] ZINC000930059838 642300298 /nfs/dbraw/zinc/30/02/98/642300298.db2.gz GYISBXSCKMEDCT-UHFFFAOYSA-N 0 3 226.280 0.790 20 5 BCBDHN C[C@H]1[C@H](C)N(CC[N+](=O)[O-])CCN1C ZINC000930176918 646479491 /nfs/dbraw/zinc/47/94/91/646479491.db2.gz GYDLCICOQMWLOJ-IUCAKERBSA-N 0 3 201.270 0.288 20 5 BCBDHN C[C@@H]1[C@@H](C)N(CC[N+](=O)[O-])CCN1C ZINC000930176921 646481084 /nfs/dbraw/zinc/48/10/84/646481084.db2.gz GYDLCICOQMWLOJ-RKDXNWHRSA-N 0 3 201.270 0.288 20 5 BCBDHN C[C@H](O)C[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000791053763 712422164 /nfs/dbraw/zinc/42/21/64/712422164.db2.gz GHENQUCUQWOIKI-IUCAKERBSA-N 0 3 202.254 0.498 20 5 BCBDHN CN(C)CCN(C)c1ccncc1[N+](=O)[O-] ZINC000080684653 345898892 /nfs/dbraw/zinc/89/88/92/345898892.db2.gz NVGHNAITUUHJSV-UHFFFAOYSA-N 0 3 224.264 0.988 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591592334 347672614 /nfs/dbraw/zinc/67/26/14/347672614.db2.gz FWHRPRMWMDIIQK-VHSXEESVSA-N 0 3 247.254 0.831 20 5 BCBDHN CC(C)[C@H](CO)NCc1c([N+](=O)[O-])ncn1C ZINC000362188531 187383731 /nfs/dbraw/zinc/38/37/31/187383731.db2.gz HXYLITFRQVQJGM-QMMMGPOBSA-N 0 3 242.279 0.435 20 5 BCBDHN O=[N+]([O-])c1ncccc1OC[C@H]1CNCCO1 ZINC000594699507 348101813 /nfs/dbraw/zinc/10/18/13/348101813.db2.gz XFVNWHVLIFTPPP-MRVPVSSYSA-N 0 3 239.231 0.357 20 5 BCBDHN CC(C)(NC(=O)CN)c1ccc([N+](=O)[O-])cc1 ZINC000236659011 188191056 /nfs/dbraw/zinc/19/10/56/188191056.db2.gz AWNNXIOOQCZOFE-UHFFFAOYSA-N 0 3 237.259 0.905 20 5 BCBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CCN1 ZINC000420239601 192183554 /nfs/dbraw/zinc/18/35/54/192183554.db2.gz MDSJOHUTWKHQSA-SSDOTTSWSA-N 0 3 240.238 0.927 20 5 BCBDHN Cc1nc(N2CCN[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000420243293 192184647 /nfs/dbraw/zinc/18/46/47/192184647.db2.gz WRELRMOXDFOSML-ZETCQYMHSA-N 0 3 237.263 0.491 20 5 BCBDHN NC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048027101 181281625 /nfs/dbraw/zinc/28/16/25/181281625.db2.gz PTNUIXDSJOABNI-JTQLQIEISA-N 0 3 249.270 0.902 20 5 BCBDHN CN(C)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000224077652 358428039 /nfs/dbraw/zinc/42/80/39/358428039.db2.gz AMCSGEVCUDTEND-UHFFFAOYSA-N 0 3 245.666 0.972 20 5 BCBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H](C)CO ZINC000123152079 369400457 /nfs/dbraw/zinc/40/04/57/369400457.db2.gz DGDMOIZSAPKKOH-QMMMGPOBSA-N 0 3 242.279 0.412 20 5 BCBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351808705 371661833 /nfs/dbraw/zinc/66/18/33/371661833.db2.gz KGUYTYPZRMZPCZ-WCBMZHEXSA-N 0 3 240.263 0.104 20 5 BCBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351808703 371662330 /nfs/dbraw/zinc/66/23/30/371662330.db2.gz KGUYTYPZRMZPCZ-SCZZXKLOSA-N 0 3 240.263 0.104 20 5 BCBDHN C[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676250 373586897 /nfs/dbraw/zinc/58/68/97/373586897.db2.gz BVBTZWSINCTZNT-QMMMGPOBSA-N 0 3 237.259 0.601 20 5 BCBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCNCC1 ZINC000020213924 182651621 /nfs/dbraw/zinc/65/16/21/182651621.db2.gz UBRLYYYDKLMEIF-UHFFFAOYSA-N 0 3 238.247 0.358 20 5 BCBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176206265 384466838 /nfs/dbraw/zinc/46/68/38/384466838.db2.gz GQPVFRHUBRCJRD-UHFFFAOYSA-N 0 3 210.237 0.886 20 5 BCBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2CO)n1 ZINC000176218966 384482455 /nfs/dbraw/zinc/48/24/55/384482455.db2.gz YOGOUSPXJXULBI-SECBINFHSA-N 0 3 240.263 0.248 20 5 BCBDHN CN(CCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000062010274 385023074 /nfs/dbraw/zinc/02/30/74/385023074.db2.gz RCMDTUWYMPQACE-UHFFFAOYSA-N 0 3 237.263 0.891 20 5 BCBDHN N[C@@H]1C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000516861537 385163211 /nfs/dbraw/zinc/16/32/11/385163211.db2.gz VOTJZECSKCNOKA-VHSXEESVSA-N 0 3 235.243 0.558 20 5 BCBDHN C[C@@H]1C[C@H](O)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000340886772 385215361 /nfs/dbraw/zinc/21/53/61/385215361.db2.gz DHVKEIXQJYJISO-BDAKNGLRSA-N 0 3 240.263 0.246 20 5 BCBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000267708401 386469473 /nfs/dbraw/zinc/46/94/73/386469473.db2.gz VUGLSVBPUMQDBC-JTQLQIEISA-N 0 3 240.263 0.512 20 5 BCBDHN C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000152018814 387202547 /nfs/dbraw/zinc/20/25/47/387202547.db2.gz SMWXZFSOZVFWRA-SSDOTTSWSA-N 0 3 235.243 0.831 20 5 BCBDHN C[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040456495 387807000 /nfs/dbraw/zinc/80/70/00/387807000.db2.gz PUTWBKLEISVJKS-LURJTMIESA-N 0 3 209.205 0.881 20 5 BCBDHN CO[C@@H](C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000353200116 388368390 /nfs/dbraw/zinc/36/83/90/388368390.db2.gz AVGVAPMDMULEBZ-VIFPVBQESA-N 0 3 242.279 0.758 20 5 BCBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(C)CC1 ZINC000008317652 173018350 /nfs/dbraw/zinc/01/83/50/173018350.db2.gz PHXVNJAGXJNCNI-UHFFFAOYSA-N 0 3 239.279 0.470 20 5 BCBDHN COCCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218721 174216245 /nfs/dbraw/zinc/21/62/45/174216245.db2.gz BVVOMXDHJLDEFU-UHFFFAOYSA-N 0 3 242.279 0.760 20 5 BCBDHN C[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810234 175794274 /nfs/dbraw/zinc/79/42/74/175794274.db2.gz SRQRNUUVWFLWJG-MRVPVSSYSA-N 0 3 237.259 0.900 20 5 BCBDHN CC(COC(=O)Cc1cscn1)[N+](=O)[O-] ZINC000853128038 588722003 /nfs/dbraw/zinc/72/20/03/588722003.db2.gz XCIJHBFNWTZGIS-ZCFIWIBFSA-N 0 3 230.245 0.894 20 5 BCBDHN CCn1cc(CC(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813112468 582589319 /nfs/dbraw/zinc/58/93/19/582589319.db2.gz QHJDBPLPJARUML-MRVPVSSYSA-N 0 3 241.247 0.654 20 5 BCBDHN CC(COC(=O)[C@@H]1C[C@H](C)CO1)[N+](=O)[O-] ZINC000893047270 583037681 /nfs/dbraw/zinc/03/76/81/583037681.db2.gz LPODQNDAPJASTK-RNJXMRFFSA-N 0 3 217.221 0.620 20 5 BCBDHN C[C@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CCN1C ZINC000895734682 583716943 /nfs/dbraw/zinc/71/69/43/583716943.db2.gz PRBUFDJXDKFONR-YUMQZZPRSA-N 0 3 239.279 0.833 20 5 BCBDHN CC(C)COCCCNCC[N+](=O)[O-] ZINC000899866560 584245277 /nfs/dbraw/zinc/24/52/77/584245277.db2.gz LLJREHAQYWUYDQ-UHFFFAOYSA-N 0 3 204.270 0.915 20 5 BCBDHN CN(CCNCC[N+](=O)[O-])Cc1ccccc1 ZINC000899873406 584245959 /nfs/dbraw/zinc/24/59/59/584245959.db2.gz OBNCEHMWJSAFAU-UHFFFAOYSA-N 0 3 237.303 0.985 20 5 BCBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3C[C@H]32)c1 ZINC000761093198 585408411 /nfs/dbraw/zinc/40/84/11/585408411.db2.gz NKPWFFPBGLLFQG-WCBMZHEXSA-N 0 3 222.248 0.886 20 5 BCBDHN CC(C)n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000797281862 586125030 /nfs/dbraw/zinc/12/50/30/586125030.db2.gz QOHKCBXITUYMRW-ZETCQYMHSA-N 0 3 242.235 0.681 20 5 BCBDHN CC(COC(=O)c1cscn1)[N+](=O)[O-] ZINC000813103134 586591881 /nfs/dbraw/zinc/59/18/81/586591881.db2.gz ADEIFLMNVIHQAQ-YFKPBYRVSA-N 0 3 216.218 0.965 20 5 BCBDHN CCOc1nc(C(=O)OCC(C)[N+](=O)[O-])co1 ZINC000813102719 586592166 /nfs/dbraw/zinc/59/21/66/586592166.db2.gz JLHOCUFXQTVROZ-ZCFIWIBFSA-N 0 3 244.203 0.895 20 5 BCBDHN CC(=O)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110318 586592372 /nfs/dbraw/zinc/59/23/72/586592372.db2.gz XLIPLLVTEYMAAS-ZETCQYMHSA-N 0 3 217.221 0.954 20 5 BCBDHN CNC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813106499 586592952 /nfs/dbraw/zinc/59/29/52/586592952.db2.gz DHBCZMLOVLCRSP-ZETCQYMHSA-N 0 3 244.247 0.111 20 5 BCBDHN Cc1[nH]ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110152 586593139 /nfs/dbraw/zinc/59/31/39/586593139.db2.gz TXHFCMGERNLUST-YFKPBYRVSA-N 0 3 213.193 0.540 20 5 BCBDHN CC(=O)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110144 586593283 /nfs/dbraw/zinc/59/32/83/586593283.db2.gz TVSCANPKGSQEAF-ZCFIWIBFSA-N 0 3 203.194 0.564 20 5 BCBDHN CCc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1C ZINC000813110446 586593417 /nfs/dbraw/zinc/59/34/17/586593417.db2.gz AWARUDSXPDIFTP-SSDOTTSWSA-N 0 3 241.247 0.805 20 5 BCBDHN CC(COC(=O)/C=C\c1ccncn1)[N+](=O)[O-] ZINC000813112086 586593697 /nfs/dbraw/zinc/59/36/97/586593697.db2.gz ZMRDNHCDOYPQTK-KZUAUGPASA-N 0 3 237.215 0.698 20 5 BCBDHN CC(COC(=O)c1nccs1)[N+](=O)[O-] ZINC000813114841 586594358 /nfs/dbraw/zinc/59/43/58/586594358.db2.gz WZWKMHGBTGETAI-RXMQYKEDSA-N 0 3 216.218 0.965 20 5 BCBDHN C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N(C)C ZINC000822458311 587169433 /nfs/dbraw/zinc/16/94/33/587169433.db2.gz RZECIEXEXQVILQ-SECBINFHSA-N 0 3 245.323 0.888 20 5 BCBDHN CC(COC(=O)c1ccsn1)[N+](=O)[O-] ZINC000835453369 587802761 /nfs/dbraw/zinc/80/27/61/587802761.db2.gz BASHRWGIBDNAOG-YFKPBYRVSA-N 0 3 216.218 0.965 20 5 BCBDHN CC(COC(=O)c1cc[n+]([O-])cc1)[N+](=O)[O-] ZINC000842802322 588065037 /nfs/dbraw/zinc/06/50/37/588065037.db2.gz VHMPYYOVKJRKHY-ZETCQYMHSA-N 0 3 226.188 0.142 20 5 BCBDHN CC(=O)N[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000860776483 589119394 /nfs/dbraw/zinc/11/93/94/589119394.db2.gz FRBBPEBTOWKQFE-IONNQARKSA-N 0 3 246.263 0.356 20 5 BCBDHN CC(COC(=O)c1cn(C2CC2)nn1)[N+](=O)[O-] ZINC000860776295 589119485 /nfs/dbraw/zinc/11/94/85/589119485.db2.gz DMTXWCCDFWUGIB-LURJTMIESA-N 0 3 240.219 0.435 20 5 BCBDHN CC(COC(=O)COCC(F)F)[N+](=O)[O-] ZINC000860776129 589119599 /nfs/dbraw/zinc/11/95/99/589119599.db2.gz BWRPHJJAMFFQME-YFKPBYRVSA-N 0 3 227.163 0.477 20 5 BCBDHN C[C@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000134755728 591949157 /nfs/dbraw/zinc/94/91/57/591949157.db2.gz JYDGTTIKGXBNHP-KWQFWETISA-N 0 3 240.259 0.599 20 5 BCBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])s1 ZINC000884825259 592023788 /nfs/dbraw/zinc/02/37/88/592023788.db2.gz NUWUTZVITKVZGT-UHFFFAOYSA-N 0 3 246.292 0.387 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CCN(CC(F)(F)F)C1 ZINC000905076569 637605015 /nfs/dbraw/zinc/60/50/15/637605015.db2.gz QJXQPTKHBGQXQA-SSDOTTSWSA-N 0 3 241.213 0.489 20 5 BCBDHN O=[N+]([O-])CCNC[C@@H]1CSCCS1 ZINC000905159060 637638477 /nfs/dbraw/zinc/63/84/77/637638477.db2.gz IRYVFRMYIUZTEQ-SSDOTTSWSA-N 0 3 222.335 0.701 20 5 BCBDHN O=[N+]([O-])CCNCCc1ccc(O)cc1 ZINC000905177002 637684962 /nfs/dbraw/zinc/68/49/62/637684962.db2.gz VIPCQGAYWJCOOJ-UHFFFAOYSA-N 0 3 210.233 0.801 20 5 BCBDHN CC(C)OC(=O)CCCNCC[N+](=O)[O-] ZINC000905212064 637698192 /nfs/dbraw/zinc/69/81/92/637698192.db2.gz IGCPBMWTOLCYJY-UHFFFAOYSA-N 0 3 218.253 0.585 20 5 BCBDHN Cc1ncsc1CCNCC[N+](=O)[O-] ZINC000905275807 637733215 /nfs/dbraw/zinc/73/32/15/637733215.db2.gz ZTGJNZJCDVAJAE-UHFFFAOYSA-N 0 3 215.278 0.860 20 5 BCBDHN O=[N+]([O-])CCNCc1ccc2cncn2c1 ZINC000905285516 637738037 /nfs/dbraw/zinc/73/80/37/637738037.db2.gz STQVALRMAJHCLF-UHFFFAOYSA-N 0 3 220.232 0.701 20 5 BCBDHN CCC(CC)[C@@H](O)CNCC[N+](=O)[O-] ZINC000905347904 637768645 /nfs/dbraw/zinc/76/86/45/637768645.db2.gz CTXAUOKQRQAXRB-VIFPVBQESA-N 0 3 204.270 0.650 20 5 BCBDHN CC(C)CC[C@@H](CO)NCC[N+](=O)[O-] ZINC000905389348 637786292 /nfs/dbraw/zinc/78/62/92/637786292.db2.gz JWVADJDYUIZSSG-VIFPVBQESA-N 0 3 204.270 0.650 20 5 BCBDHN CC(C)[C@@H](O)C(C)(C)CNCC[N+](=O)[O-] ZINC000905365279 637787865 /nfs/dbraw/zinc/78/78/65/637787865.db2.gz IPWSXGVYRBXXIM-SECBINFHSA-N 0 3 218.297 0.896 20 5 BCBDHN O=[N+]([O-])CCN[C@@H](CCO)Cc1ccccc1 ZINC000905371098 637790855 /nfs/dbraw/zinc/79/08/55/637790855.db2.gz FXIHRRXSNHMBJM-LBPRGKRZSA-N 0 3 238.287 0.846 20 5 BCBDHN O=[N+]([O-])CCN[C@H](CO)CC1CCC1 ZINC000905371729 637791987 /nfs/dbraw/zinc/79/19/87/637791987.db2.gz ICSZJIUMAZWCNY-VIFPVBQESA-N 0 3 202.254 0.404 20 5 BCBDHN O=[N+]([O-])CCN[C@@H]1CO[C@H](C2CC2)C1 ZINC000905396761 637807913 /nfs/dbraw/zinc/80/79/13/637807913.db2.gz TZEYDPPYTDKECE-IUCAKERBSA-N 0 3 200.238 0.420 20 5 BCBDHN C[C@@H]1C[C@]2(CC[C@H](CNCC[N+](=O)[O-])O2)CO1 ZINC000905480591 637819272 /nfs/dbraw/zinc/81/92/72/637819272.db2.gz AKHORLGBPWPXEL-GMTAPVOTSA-N 0 3 244.291 0.579 20 5 BCBDHN COC(=O)CC(C)(C)CNCC[N+](=O)[O-] ZINC000905529591 637846088 /nfs/dbraw/zinc/84/60/88/637846088.db2.gz ANEVSXFERULQOQ-UHFFFAOYSA-N 0 3 218.253 0.442 20 5 BCBDHN CCC[C@@]1(NCC[N+](=O)[O-])CCOC1 ZINC000930462189 639764004 /nfs/dbraw/zinc/76/40/04/639764004.db2.gz XBCZIEPWKVSHGJ-SECBINFHSA-N 0 3 202.254 0.812 20 5 BCBDHN COC(=O)C[C@](C)(NCC[N+](=O)[O-])C1CC1 ZINC000931509455 640238428 /nfs/dbraw/zinc/23/84/28/640238428.db2.gz PEAFUNSOIJYSEI-JTQLQIEISA-N 0 3 230.264 0.585 20 5 BCBDHN COC[C@@H](NCC[N+](=O)[O-])[C@H]1CCCOC1 ZINC000931754680 640350843 /nfs/dbraw/zinc/35/08/43/640350843.db2.gz KBBRLLMQSGSAMI-VHSXEESVSA-N 0 3 232.280 0.294 20 5 BCBDHN CN1CCC[C@@H]1Cn1nccc1[N+](=O)[O-] ZINC000916723331 641970696 /nfs/dbraw/zinc/97/06/96/641970696.db2.gz REVAURBPWXGXDN-MRVPVSSYSA-N 0 3 210.237 0.886 20 5 BCBDHN COCCOC[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929732879 646277695 /nfs/dbraw/zinc/27/76/95/646277695.db2.gz SSAKOPNNLPUXTJ-SNVBAGLBSA-N 0 3 232.280 0.248 20 5 BCBDHN C[C@H]1CN(CC[N+](=O)[O-])[C@@H](C)CN1C ZINC000930163686 646454851 /nfs/dbraw/zinc/45/48/51/646454851.db2.gz VAEZFCVXOYJVDK-IUCAKERBSA-N 0 3 201.270 0.288 20 5 BCBDHN COC/C=C\C(=O)OCC(C)[N+](=O)[O-] ZINC000870377335 712623853 /nfs/dbraw/zinc/62/38/53/712623853.db2.gz PZDOFPOFRPEKPA-KFOINNEUSA-N 0 3 203.194 0.397 20 5 BCBDHN C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000719570489 712810638 /nfs/dbraw/zinc/81/06/38/712810638.db2.gz DVMUNSCKSHJNJS-JGVFFNPUSA-N 0 3 239.279 0.833 20 5 BCBDHN