smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023316703 484367716 /nfs/dbraw/zinc/36/77/16/484367716.db2.gz LHCQSBQXCXPAIK-LLVKDONJSA-N -1 1 364.358 -0.006 20 5 FBBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023316706 484367860 /nfs/dbraw/zinc/36/78/60/484367860.db2.gz LHCQSBQXCXPAIK-NSHDSACASA-N -1 1 364.358 -0.006 20 5 FBBDMM CC(C)NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000026337747 483502501 /nfs/dbraw/zinc/50/25/01/483502501.db2.gz ZGMABWBAAPUENL-UHFFFAOYSA-N -1 1 351.363 -0.435 20 5 FBBDMM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029966373 483700497 /nfs/dbraw/zinc/70/04/97/483700497.db2.gz YJQFHZFOTREECO-UHFFFAOYSA-N -1 1 365.751 -0.184 20 5 FBBDMM Cn1cc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000053671564 484377678 /nfs/dbraw/zinc/37/76/78/484377678.db2.gz MQMSGWWXGXXJDH-UHFFFAOYSA-N -1 1 368.371 -0.487 20 5 FBBDMM Cn1cc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000056088653 484428333 /nfs/dbraw/zinc/42/83/33/484428333.db2.gz RGQCDXKEOUAWFW-UHFFFAOYSA-N -1 1 354.344 -0.529 20 5 FBBDMM Cn1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000056124814 485026347 /nfs/dbraw/zinc/02/63/47/485026347.db2.gz WDURSSQTTGYONG-UHFFFAOYSA-N -1 1 354.344 -0.529 20 5 FBBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)s1 ZINC000060924632 484431853 /nfs/dbraw/zinc/43/18/53/484431853.db2.gz JPHKUUIRGFILCP-UHFFFAOYSA-N -1 1 355.419 -0.030 20 5 FBBDMM Cn1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000067432308 484761541 /nfs/dbraw/zinc/76/15/41/484761541.db2.gz NEVZXHWMGJJKNE-UHFFFAOYSA-N -1 1 354.344 -0.529 20 5 FBBDMM COC(=O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146654390 484053559 /nfs/dbraw/zinc/05/35/59/484053559.db2.gz PNGWKNALPRPCCW-UHFFFAOYSA-N -1 1 365.751 -0.184 20 5 FBBDMM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000263682091 243355668 /nfs/dbraw/zinc/35/56/68/243355668.db2.gz MWHBJBRQGHNIQL-UHFFFAOYSA-N -1 1 355.369 -0.049 20 5 FBBDMM Cn1cnnc1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264018660 243372269 /nfs/dbraw/zinc/37/22/69/243372269.db2.gz VOIFEZXXEKFXNH-UHFFFAOYSA-N -1 1 355.332 -0.027 20 5 FBBDMM O=C1CNC(=O)N1CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000264458638 243396073 /nfs/dbraw/zinc/39/60/73/243396073.db2.gz GDPMCSXVZLPONF-UHFFFAOYSA-N -1 1 360.323 -0.046 20 5 FBBDMM CC(=O)N1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000264485673 243397885 /nfs/dbraw/zinc/39/78/85/243397885.db2.gz OPYVCXLWFIAMBQ-UHFFFAOYSA-N -1 1 365.346 -0.494 20 5 FBBDMM O=C(Nc1nn[n-]n1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265683856 484262801 /nfs/dbraw/zinc/26/28/01/484262801.db2.gz URCOTWBMUGMZRT-JTQLQIEISA-N -1 1 367.347 -0.100 20 5 FBBDMM O=C(Nc1nnn[n-]1)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265683856 484262796 /nfs/dbraw/zinc/26/27/96/484262796.db2.gz URCOTWBMUGMZRT-JTQLQIEISA-N -1 1 367.347 -0.100 20 5 FBBDMM O=C(Nc1nn[n-]n1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265683858 484262365 /nfs/dbraw/zinc/26/23/65/484262365.db2.gz URCOTWBMUGMZRT-SNVBAGLBSA-N -1 1 367.347 -0.100 20 5 FBBDMM O=C(Nc1nnn[n-]1)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000265683858 484262357 /nfs/dbraw/zinc/26/23/57/484262357.db2.gz URCOTWBMUGMZRT-SNVBAGLBSA-N -1 1 367.347 -0.100 20 5 FBBDMM Cn1cc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000266244959 483829163 /nfs/dbraw/zinc/82/91/63/483829163.db2.gz ANARRYUXBBFNQU-UHFFFAOYSA-N -1 1 368.371 -0.487 20 5 FBBDMM CCOC(=O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000266486566 483875996 /nfs/dbraw/zinc/87/59/96/483875996.db2.gz WJQGOUXPVUISIT-UHFFFAOYSA-N -1 1 352.303 -0.457 20 5 FBBDMM C[N@@H+]1CCO[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000266921480 484085220 /nfs/dbraw/zinc/08/52/20/484085220.db2.gz WJSANLPNMVLJBM-GFCCVEGCSA-N -1 1 372.403 -0.680 20 5 FBBDMM Cn1cc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000270262940 485176629 /nfs/dbraw/zinc/17/66/29/485176629.db2.gz PPEDROYBKGKEHY-UHFFFAOYSA-N -1 1 368.371 -0.487 20 5 FBBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000270704637 483955016 /nfs/dbraw/zinc/95/50/16/483955016.db2.gz MWJAHDIYKSJFDU-MRVPVSSYSA-N -1 1 372.359 -0.929 20 5 FBBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000270704639 483954639 /nfs/dbraw/zinc/95/46/39/483954639.db2.gz MWJAHDIYKSJFDU-QMMMGPOBSA-N -1 1 372.359 -0.929 20 5 FBBDMM O=C1CN(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1 ZINC000272482231 484409059 /nfs/dbraw/zinc/40/90/59/484409059.db2.gz VAOJMDWVAHVVLW-UHFFFAOYSA-N -1 1 360.367 -0.166 20 5 FBBDMM O=C1CN(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000272646802 484427266 /nfs/dbraw/zinc/42/72/66/484427266.db2.gz DQRSTJZBJOYYGQ-UHFFFAOYSA-N -1 1 362.795 -0.042 20 5 FBBDMM O=C1CN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1 ZINC000272689566 484438488 /nfs/dbraw/zinc/43/84/88/484438488.db2.gz PCGKQJFDFGFIJC-UHFFFAOYSA-N -1 1 362.795 -0.042 20 5 FBBDMM C[C@H](CN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nn[n-]n1 ZINC000274773799 484825674 /nfs/dbraw/zinc/82/56/74/484825674.db2.gz MLIYEBWTWYRNQK-MRVPVSSYSA-N -1 1 373.329 -0.034 20 5 FBBDMM C[C@@H](CN(C)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nn[n-]n1 ZINC000274773800 484826000 /nfs/dbraw/zinc/82/60/00/484826000.db2.gz MLIYEBWTWYRNQK-QMMMGPOBSA-N -1 1 373.329 -0.034 20 5 FBBDMM CC(C)NC(=O)C(=O)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274888229 484827295 /nfs/dbraw/zinc/82/72/95/484827295.db2.gz LBUSFOFJPSOBHT-UHFFFAOYSA-N -1 1 365.346 -0.496 20 5 FBBDMM CC(C)NC(=O)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274902151 484561075 /nfs/dbraw/zinc/56/10/75/484561075.db2.gz PTPXYXWYJXVTCD-UHFFFAOYSA-N -1 1 351.363 -0.022 20 5 FBBDMM CCNC(=O)CN1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275004165 484165727 /nfs/dbraw/zinc/16/57/27/484165727.db2.gz OOJBENNKOSCCRR-UHFFFAOYSA-N -1 1 351.363 -0.021 20 5 FBBDMM CC(=O)N1CCN(C(=O)CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275011005 484161701 /nfs/dbraw/zinc/16/17/01/484161701.db2.gz XCBDCFHYHHPOTL-UHFFFAOYSA-N -1 1 365.346 -0.494 20 5 FBBDMM COC(=O)c1cnc([N-]c2cnn(CC(=O)NCCO)c2)c([N+](=O)[O-])c1 ZINC000276802206 244088767 /nfs/dbraw/zinc/08/87/67/244088767.db2.gz QVYXODMBRQFBRC-UHFFFAOYSA-N -1 1 364.318 -0.175 20 5 FBBDMM CS(=O)(=O)[N-]C(=O)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277608075 244115569 /nfs/dbraw/zinc/11/55/69/244115569.db2.gz LPXKKBFEBIDZPR-UHFFFAOYSA-N -1 1 355.332 -0.333 20 5 FBBDMM COC(=O)CN(CCN1CCOCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278184292 244128288 /nfs/dbraw/zinc/12/82/88/244128288.db2.gz OEGAMWUYCWUELB-UHFFFAOYSA-N -1 1 368.346 -0.357 20 5 FBBDMM CCOC(=O)C(=O)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 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/nfs/dbraw/zinc/70/48/95/606704895.db2.gz PUCITVWKIUCMEU-UHFFFAOYSA-N -1 1 368.379 -0.358 20 5 FBBDMM CN(C)C(=O)CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821575454 607162751 /nfs/dbraw/zinc/16/27/51/607162751.db2.gz CDADBHORMIEGNV-UHFFFAOYSA-N -1 1 361.366 -0.620 20 5 FBBDMM CN(C)C(=O)CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821575454 607162750 /nfs/dbraw/zinc/16/27/50/607162750.db2.gz CDADBHORMIEGNV-UHFFFAOYSA-N -1 1 361.366 -0.620 20 5 FBBDMM CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821575713 606731025 /nfs/dbraw/zinc/73/10/25/606731025.db2.gz MQHFGQONAVPUHG-UHFFFAOYSA-N -1 1 369.363 -0.516 20 5 FBBDMM CN(C)S(=O)(=O)c1ccc(-n2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])c1 ZINC000821588191 606873302 /nfs/dbraw/zinc/87/33/02/606873302.db2.gz GPVJSGJBPCUIHP-UHFFFAOYSA-N -1 1 365.335 -0.394 20 5 FBBDMM CN(C[C@H](O)CN1CCOCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821595403 606717690 /nfs/dbraw/zinc/71/76/90/606717690.db2.gz WKEFBESMVVJLKS-JTQLQIEISA-N -1 1 364.366 -0.701 20 5 FBBDMM CN(C[C@H](O)CN1CCOCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821595403 606717689 /nfs/dbraw/zinc/71/76/89/606717689.db2.gz WKEFBESMVVJLKS-JTQLQIEISA-N -1 1 364.366 -0.701 20 5 FBBDMM CN(C[C@@H](O)CN1CCOCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821595404 606718097 /nfs/dbraw/zinc/71/80/97/606718097.db2.gz WKEFBESMVVJLKS-SNVBAGLBSA-N -1 1 364.366 -0.701 20 5 FBBDMM CN(C[C@@H](O)CN1CCOCC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821595404 606718095 /nfs/dbraw/zinc/71/80/95/606718095.db2.gz WKEFBESMVVJLKS-SNVBAGLBSA-N -1 1 364.366 -0.701 20 5 FBBDMM CN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])S(C)(=O)=O ZINC000821600502 606698341 /nfs/dbraw/zinc/69/83/41/606698341.db2.gz PFPSVMHJGBCHBJ-UHFFFAOYSA-N -1 1 356.368 -0.137 20 5 FBBDMM CN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])S(C)(=O)=O ZINC000821600502 606698339 /nfs/dbraw/zinc/69/83/39/606698339.db2.gz PFPSVMHJGBCHBJ-UHFFFAOYSA-N -1 1 356.368 -0.137 20 5 FBBDMM CN(CCN1CCCS1(=O)=O)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821602495 606715604 /nfs/dbraw/zinc/71/56/04/606715604.db2.gz FIYXURHJNMJVCT-UHFFFAOYSA-N -1 1 368.379 -0.358 20 5 FBBDMM CN(CCN1CCCS1(=O)=O)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821602495 606715603 /nfs/dbraw/zinc/71/56/03/606715603.db2.gz FIYXURHJNMJVCT-UHFFFAOYSA-N -1 1 368.379 -0.358 20 5 FBBDMM CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000821628794 606731437 /nfs/dbraw/zinc/73/14/37/606731437.db2.gz QXGNVZHWKWCRLK-UHFFFAOYSA-N -1 1 353.364 -0.289 20 5 FBBDMM CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000821628943 606734582 /nfs/dbraw/zinc/73/45/82/606734582.db2.gz VERXIJCVDCOWGL-UHFFFAOYSA-N -1 1 367.347 -0.762 20 5 FBBDMM CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821632806 606731062 /nfs/dbraw/zinc/73/10/62/606731062.db2.gz JUUQDLYWTRSWKO-UHFFFAOYSA-N -1 1 355.336 -0.859 20 5 FBBDMM CNS(=O)(=O)C[C@H]1CCCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821636017 606716589 /nfs/dbraw/zinc/71/65/89/606716589.db2.gz BQNAHUKOLUNJOM-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)C[C@H]1CCCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821636017 606716588 /nfs/dbraw/zinc/71/65/88/606716588.db2.gz BQNAHUKOLUNJOM-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821636018 606716895 /nfs/dbraw/zinc/71/68/95/606716895.db2.gz BQNAHUKOLUNJOM-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)C[C@@H]1CCCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821636018 606716894 /nfs/dbraw/zinc/71/68/94/606716894.db2.gz BQNAHUKOLUNJOM-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821636020 606711417 /nfs/dbraw/zinc/71/14/17/606711417.db2.gz BRKHQYUVKVOOBS-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821636020 606711416 /nfs/dbraw/zinc/71/14/16/606711416.db2.gz BRKHQYUVKVOOBS-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821636021 606711271 /nfs/dbraw/zinc/71/12/71/606711271.db2.gz BRKHQYUVKVOOBS-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CNS(=O)(=O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821636021 606711268 /nfs/dbraw/zinc/71/12/68/606711268.db2.gz BRKHQYUVKVOOBS-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM COC(=O)CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821661388 606732883 /nfs/dbraw/zinc/73/28/83/606732883.db2.gz GURRCQYPYMNMBM-UHFFFAOYSA-N -1 1 370.347 -0.042 20 5 FBBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCn2ccc([N+](=O)[O-])n2)c1 ZINC000821666717 606328037 /nfs/dbraw/zinc/32/80/37/606328037.db2.gz AYJCVZMQAFZCRA-UHFFFAOYSA-N -1 1 360.290 -0.380 20 5 FBBDMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCn2cc([N+](=O)[O-])cn2)c1 ZINC000821666834 606045802 /nfs/dbraw/zinc/04/58/02/606045802.db2.gz IKJKHYJHEJHNST-UHFFFAOYSA-N -1 1 360.290 -0.380 20 5 FBBDMM COC(=O)c1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc([N+](=O)[O-])c1 ZINC000821668083 607218126 /nfs/dbraw/zinc/21/81/26/607218126.db2.gz NQSFMHNHMOCQES-UHFFFAOYSA-N -1 1 373.289 -0.208 20 5 FBBDMM COCCCNC(=O)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821687686 607166098 /nfs/dbraw/zinc/16/60/98/607166098.db2.gz JYBZSBFCMPPFRV-UHFFFAOYSA-N -1 1 350.339 -0.241 20 5 FBBDMM COCCCNC(=O)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821687686 607166096 /nfs/dbraw/zinc/16/60/96/607166096.db2.gz JYBZSBFCMPPFRV-UHFFFAOYSA-N -1 1 350.339 -0.241 20 5 FBBDMM COc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000821798553 607209395 /nfs/dbraw/zinc/20/93/95/607209395.db2.gz FMSXRVNWYVKUNG-UHFFFAOYSA-N -1 1 359.306 -0.309 20 5 FBBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821845642 607209451 /nfs/dbraw/zinc/20/94/51/607209451.db2.gz IVTYFIVMNAKTFX-UHFFFAOYSA-N -1 1 359.306 -0.309 20 5 FBBDMM CS(=O)(=O)CCOCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821926591 606712323 /nfs/dbraw/zinc/71/23/23/606712323.db2.gz KFDYHEHTTBHCNZ-UHFFFAOYSA-N -1 1 357.352 -0.357 20 5 FBBDMM CS(=O)(=O)CCOCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821926591 606712322 /nfs/dbraw/zinc/71/23/22/606712322.db2.gz KFDYHEHTTBHCNZ-UHFFFAOYSA-N -1 1 357.352 -0.357 20 5 FBBDMM CS(=O)(=O)N[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821931259 606710910 /nfs/dbraw/zinc/71/09/10/606710910.db2.gz BDIALGPSTZQAPC-SSDOTTSWSA-N -1 1 354.352 -0.702 20 5 FBBDMM CS(=O)(=O)N[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821931259 606710909 /nfs/dbraw/zinc/71/09/09/606710909.db2.gz BDIALGPSTZQAPC-SSDOTTSWSA-N -1 1 354.352 -0.702 20 5 FBBDMM CS(=O)(=O)N[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821931263 606711156 /nfs/dbraw/zinc/71/11/56/606711156.db2.gz BDIALGPSTZQAPC-ZETCQYMHSA-N -1 1 354.352 -0.702 20 5 FBBDMM CS(=O)(=O)N[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821931263 606711154 /nfs/dbraw/zinc/71/11/54/606711154.db2.gz BDIALGPSTZQAPC-ZETCQYMHSA-N -1 1 354.352 -0.702 20 5 FBBDMM CS(=O)(=O)N[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821931762 606698222 /nfs/dbraw/zinc/69/82/22/606698222.db2.gz HEXAODYKKSDBEJ-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CS(=O)(=O)N[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821931762 606698221 /nfs/dbraw/zinc/69/82/21/606698221.db2.gz HEXAODYKKSDBEJ-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CS(=O)(=O)N[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821931768 606698329 /nfs/dbraw/zinc/69/83/29/606698329.db2.gz HEXAODYKKSDBEJ-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CS(=O)(=O)N[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821931768 606698327 /nfs/dbraw/zinc/69/83/27/606698327.db2.gz HEXAODYKKSDBEJ-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CS(=O)(=O)N1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821932695 607166010 /nfs/dbraw/zinc/16/60/10/607166010.db2.gz PNYBGDLDRTVNSL-UHFFFAOYSA-N -1 1 368.379 -0.358 20 5 FBBDMM CS(=O)(=O)N1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821932695 607166009 /nfs/dbraw/zinc/16/60/09/607166009.db2.gz PNYBGDLDRTVNSL-UHFFFAOYSA-N -1 1 368.379 -0.358 20 5 FBBDMM CS(=O)(=O)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821932724 607164721 /nfs/dbraw/zinc/16/47/21/607164721.db2.gz QEUYBRIWECJMHG-UHFFFAOYSA-N -1 1 354.352 -0.749 20 5 FBBDMM CS(=O)(=O)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821932724 607164720 /nfs/dbraw/zinc/16/47/20/607164720.db2.gz QEUYBRIWECJMHG-UHFFFAOYSA-N -1 1 354.352 -0.749 20 5 FBBDMM C[S@@](=O)CCN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821943214 606712158 /nfs/dbraw/zinc/71/21/58/606712158.db2.gz UQRNSXDAMALLTN-RUZDIDTESA-N -1 1 366.407 -0.330 20 5 FBBDMM C[S@@](=O)CCN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821943214 606712157 /nfs/dbraw/zinc/71/21/57/606712157.db2.gz UQRNSXDAMALLTN-RUZDIDTESA-N -1 1 366.407 -0.330 20 5 FBBDMM C[S@](=O)CCN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821943215 606712419 /nfs/dbraw/zinc/71/24/19/606712419.db2.gz UQRNSXDAMALLTN-VWLOTQADSA-N -1 1 366.407 -0.330 20 5 FBBDMM C[S@](=O)CCN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821943215 606712417 /nfs/dbraw/zinc/71/24/17/606712417.db2.gz UQRNSXDAMALLTN-VWLOTQADSA-N -1 1 366.407 -0.330 20 5 FBBDMM Cn1cc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2=O)cn1 ZINC000822685146 606717486 /nfs/dbraw/zinc/71/74/86/606717486.db2.gz SWYFAOYZYDEJNX-UHFFFAOYSA-N -1 1 370.333 -0.243 20 5 FBBDMM Cn1cc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2=O)cn1 ZINC000822685146 606717484 /nfs/dbraw/zinc/71/74/84/606717484.db2.gz SWYFAOYZYDEJNX-UHFFFAOYSA-N -1 1 370.333 -0.243 20 5 FBBDMM NS(=O)(=O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822894680 607167953 /nfs/dbraw/zinc/16/79/53/607167953.db2.gz FFOMWBVPWYWTKC-SSDOTTSWSA-N -1 1 354.352 -0.573 20 5 FBBDMM NS(=O)(=O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822894680 607167951 /nfs/dbraw/zinc/16/79/51/607167951.db2.gz FFOMWBVPWYWTKC-SSDOTTSWSA-N -1 1 354.352 -0.573 20 5 FBBDMM NS(=O)(=O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000822894687 607167874 /nfs/dbraw/zinc/16/78/74/607167874.db2.gz FFOMWBVPWYWTKC-ZETCQYMHSA-N -1 1 354.352 -0.573 20 5 FBBDMM NS(=O)(=O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000822894687 607167872 /nfs/dbraw/zinc/16/78/72/607167872.db2.gz FFOMWBVPWYWTKC-ZETCQYMHSA-N -1 1 354.352 -0.573 20 5 FBBDMM O=C([C@H]1CCCO1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822917206 607163542 /nfs/dbraw/zinc/16/35/42/607163542.db2.gz PUECYCJRHYGVMC-LLVKDONJSA-N -1 1 374.361 -0.003 20 5 FBBDMM O=C([C@H]1CCCO1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822917206 607163541 /nfs/dbraw/zinc/16/35/41/607163541.db2.gz PUECYCJRHYGVMC-LLVKDONJSA-N -1 1 374.361 -0.003 20 5 FBBDMM O=C([C@@H]1CCCO1)N1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000822917207 607162993 /nfs/dbraw/zinc/16/29/93/607162993.db2.gz PUECYCJRHYGVMC-NSHDSACASA-N -1 1 374.361 -0.003 20 5 FBBDMM O=C([C@@H]1CCCO1)N1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000822917207 607162992 /nfs/dbraw/zinc/16/29/92/607162992.db2.gz PUECYCJRHYGVMC-NSHDSACASA-N -1 1 374.361 -0.003 20 5 FBBDMM O=C(CN1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1)NC1CC1 ZINC000822998005 607165429 /nfs/dbraw/zinc/16/54/29/607165429.db2.gz YNVMYACLJGQBEK-UHFFFAOYSA-N -1 1 373.377 -0.430 20 5 FBBDMM O=C(CN1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1)NC1CC1 ZINC000822998005 607165428 /nfs/dbraw/zinc/16/54/28/607165428.db2.gz YNVMYACLJGQBEK-UHFFFAOYSA-N -1 1 373.377 -0.430 20 5 FBBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005420 606530824 /nfs/dbraw/zinc/53/08/24/606530824.db2.gz QCKTYCUFMIFGCR-UHFFFAOYSA-N -1 1 357.290 -0.134 20 5 FBBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005420 606530822 /nfs/dbraw/zinc/53/08/22/606530822.db2.gz QCKTYCUFMIFGCR-UHFFFAOYSA-N -1 1 357.290 -0.134 20 5 FBBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000823131940 607216356 /nfs/dbraw/zinc/21/63/56/607216356.db2.gz RMGXHAODAIAXLG-UHFFFAOYSA-N -1 1 359.306 -0.438 20 5 FBBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNc1ccccc1[N+](=O)[O-] ZINC000823132094 607206188 /nfs/dbraw/zinc/20/61/88/607206188.db2.gz ZPFQVEFWQBLHDG-UHFFFAOYSA-N -1 1 358.322 -0.405 20 5 FBBDMM O=C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCN1 ZINC000823536290 606733576 /nfs/dbraw/zinc/73/35/76/606733576.db2.gz ZLPAOGJTHHPEBV-UHFFFAOYSA-N -1 1 367.347 -0.715 20 5 FBBDMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC000823540365 606714012 /nfs/dbraw/zinc/71/40/12/606714012.db2.gz BLHBCYRVLCDNKP-JKYUHCHBSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@]2(CCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC000823540365 606714011 /nfs/dbraw/zinc/71/40/11/606714011.db2.gz BLHBCYRVLCDNKP-JKYUHCHBSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC000823540366 606715428 /nfs/dbraw/zinc/71/54/28/606715428.db2.gz BLHBCYRVLCDNKP-NXSYQRQQSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@]2(CCC[C@@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC000823540366 606715427 /nfs/dbraw/zinc/71/54/27/606715427.db2.gz BLHBCYRVLCDNKP-NXSYQRQQSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@@]2(CCC[C@@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC000823540367 606715281 /nfs/dbraw/zinc/71/52/81/606715281.db2.gz BLHBCYRVLCDNKP-UOWDBTKRSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@@]2(CCC[C@@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC000823540367 606715279 /nfs/dbraw/zinc/71/52/79/606715279.db2.gz BLHBCYRVLCDNKP-UOWDBTKRSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC000823540368 606715564 /nfs/dbraw/zinc/71/55/64/606715564.db2.gz BLHBCYRVLCDNKP-WJWGPLDTSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=C1NC(=O)[C@@]2(CCC[C@H]2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC000823540368 606715563 /nfs/dbraw/zinc/71/55/63/606715563.db2.gz BLHBCYRVLCDNKP-WJWGPLDTSA-N -1 1 373.333 -0.040 20 5 FBBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cc(N2CC[C@H](O)C2)cc1N1CC[C@H](O)C1 ZINC000823612886 599527205 /nfs/dbraw/zinc/52/72/05/599527205.db2.gz FSEXSVVIWQGPRN-QWRGUYRKSA-N -1 1 361.362 -0.083 20 5 FBBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cc(N2CC[C@H](O)C2)cc1N1CC[C@H](O)C1 ZINC000823612886 599527203 /nfs/dbraw/zinc/52/72/03/599527203.db2.gz FSEXSVVIWQGPRN-QWRGUYRKSA-N -1 1 361.362 -0.083 20 5 FBBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)CN1CCOCC1 ZINC000823619786 607163508 /nfs/dbraw/zinc/16/35/08/607163508.db2.gz BAFVPJZJONZTST-SECBINFHSA-N -1 1 350.339 -0.725 20 5 FBBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)CN1CCOCC1 ZINC000823619786 607163507 /nfs/dbraw/zinc/16/35/07/607163507.db2.gz BAFVPJZJONZTST-SECBINFHSA-N -1 1 350.339 -0.725 20 5 FBBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)CN1CCOCC1 ZINC000823619790 607163338 /nfs/dbraw/zinc/16/33/38/607163338.db2.gz BAFVPJZJONZTST-VIFPVBQESA-N -1 1 350.339 -0.725 20 5 FBBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)CN1CCOCC1 ZINC000823619790 607163337 /nfs/dbraw/zinc/16/33/37/607163337.db2.gz BAFVPJZJONZTST-VIFPVBQESA-N -1 1 350.339 -0.725 20 5 FBBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCS(=O)(=O)NC1CC1 ZINC000823625507 607168496 /nfs/dbraw/zinc/16/84/96/607168496.db2.gz XCTYVFMQBUJMKO-UHFFFAOYSA-N -1 1 354.352 -0.336 20 5 FBBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCS(=O)(=O)NC1CC1 ZINC000823625507 607168495 /nfs/dbraw/zinc/16/84/95/607168495.db2.gz XCTYVFMQBUJMKO-UHFFFAOYSA-N -1 1 354.352 -0.336 20 5 FBBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCN1CCS(=O)(=O)CC1 ZINC000823625594 606698709 /nfs/dbraw/zinc/69/87/09/606698709.db2.gz YWCYLCWYVIIDNY-UHFFFAOYSA-N -1 1 368.379 -0.688 20 5 FBBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCN1CCS(=O)(=O)CC1 ZINC000823625594 606698707 /nfs/dbraw/zinc/69/87/07/606698707.db2.gz YWCYLCWYVIIDNY-UHFFFAOYSA-N -1 1 368.379 -0.688 20 5 FBBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCN1CCCS1(=O)=O ZINC000823625603 606706183 /nfs/dbraw/zinc/70/61/83/606706183.db2.gz ZHORMIVLXSDGRP-UHFFFAOYSA-N -1 1 354.352 -0.383 20 5 FBBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCN1CCCS1(=O)=O ZINC000823625603 606706181 /nfs/dbraw/zinc/70/61/81/606706181.db2.gz ZHORMIVLXSDGRP-UHFFFAOYSA-N -1 1 354.352 -0.383 20 5 FBBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000823651089 607230948 /nfs/dbraw/zinc/23/09/48/607230948.db2.gz FMKRBKKDQGESOR-UHFFFAOYSA-N -1 1 365.335 -0.655 20 5 FBBDMM O=[N+]([O-])c1cnn(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000823651089 607230947 /nfs/dbraw/zinc/23/09/47/607230947.db2.gz FMKRBKKDQGESOR-UHFFFAOYSA-N -1 1 365.335 -0.655 20 5 FBBDMM O=c1ccn(Cc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)cc1[N+](=O)[O-] ZINC000823665426 599697629 /nfs/dbraw/zinc/69/76/29/599697629.db2.gz JGOAZNDMIIFPNN-UHFFFAOYSA-N -1 1 355.274 -0.267 20 5 FBBDMM CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000823994348 607576129 /nfs/dbraw/zinc/57/61/29/607576129.db2.gz GSSUVFZQFNFXIY-UHFFFAOYSA-N -1 1 355.336 -0.811 20 5 FBBDMM CC(=O)NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000823994992 607582679 /nfs/dbraw/zinc/58/26/79/607582679.db2.gz VZXPNZSDCQLQJU-UHFFFAOYSA-N -1 1 369.363 -0.421 20 5 FBBDMM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824053449 608011045 /nfs/dbraw/zinc/01/10/45/608011045.db2.gz YUTQWSMVLGNJDW-LURJTMIESA-N -1 1 356.320 -0.132 20 5 FBBDMM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824053450 608010972 /nfs/dbraw/zinc/01/09/72/608010972.db2.gz YUTQWSMVLGNJDW-ZCFIWIBFSA-N -1 1 356.320 -0.132 20 5 FBBDMM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824059194 608250506 /nfs/dbraw/zinc/25/05/06/608250506.db2.gz ONBIXTRVZXUIIH-LURJTMIESA-N -1 1 355.336 -0.731 20 5 FBBDMM C[C@H](C(N)=O)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824059195 608250274 /nfs/dbraw/zinc/25/02/74/608250274.db2.gz ONBIXTRVZXUIIH-ZCFIWIBFSA-N -1 1 355.336 -0.731 20 5 FBBDMM CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(N)=O ZINC000824200353 607611109 /nfs/dbraw/zinc/61/11/09/607611109.db2.gz PEERCKLCGQTHHR-JTQLQIEISA-N -1 1 369.363 -0.437 20 5 FBBDMM CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(N)=O ZINC000824200354 607611278 /nfs/dbraw/zinc/61/12/78/607611278.db2.gz PEERCKLCGQTHHR-SNVBAGLBSA-N -1 1 369.363 -0.437 20 5 FBBDMM CC(C)NC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824304556 607579543 /nfs/dbraw/zinc/57/95/43/607579543.db2.gz ASKNRSPYSOEUSR-UHFFFAOYSA-N -1 1 369.363 -0.422 20 5 FBBDMM C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824385504 608009805 /nfs/dbraw/zinc/00/98/05/608009805.db2.gz VUCSOEJVUCPLEP-LURJTMIESA-N -1 1 356.320 -0.084 20 5 FBBDMM C[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000824385505 608009663 /nfs/dbraw/zinc/00/96/63/608009663.db2.gz VUCSOEJVUCPLEP-ZCFIWIBFSA-N -1 1 356.320 -0.084 20 5 FBBDMM C[C@@H](CC(N)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824392908 607644976 /nfs/dbraw/zinc/64/49/76/607644976.db2.gz PPTOMGGWAKDZQR-LURJTMIESA-N -1 1 355.336 -0.683 20 5 FBBDMM C[C@H](CC(N)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824392909 607645248 /nfs/dbraw/zinc/64/52/48/607645248.db2.gz PPTOMGGWAKDZQR-ZCFIWIBFSA-N -1 1 355.336 -0.683 20 5 FBBDMM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824448119 608124885 /nfs/dbraw/zinc/12/48/85/608124885.db2.gz GAGRAKOULKTPCZ-GJAJDEHISA-N -1 1 374.404 -0.180 20 5 FBBDMM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824448120 608124736 /nfs/dbraw/zinc/12/47/36/608124736.db2.gz GAGRAKOULKTPCZ-GZADNHSOSA-N -1 1 374.404 -0.180 20 5 FBBDMM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824448122 608124760 /nfs/dbraw/zinc/12/47/60/608124760.db2.gz GAGRAKOULKTPCZ-SYDQRWKJSA-N -1 1 374.404 -0.180 20 5 FBBDMM C[C@H](C[S@](C)=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824448124 608124935 /nfs/dbraw/zinc/12/49/35/608124935.db2.gz GAGRAKOULKTPCZ-WBOGJMANSA-N -1 1 374.404 -0.180 20 5 FBBDMM CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)OCCO1 ZINC000824822706 608561936 /nfs/dbraw/zinc/56/19/36/608561936.db2.gz GLZSQJMNQJPKAB-UHFFFAOYSA-N -1 1 370.347 -0.184 20 5 FBBDMM C[C@@]1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824843270 608110933 /nfs/dbraw/zinc/11/09/33/608110933.db2.gz CHAWHHFMGZQQAX-GFCCVEGCSA-N -1 1 354.348 -0.080 20 5 FBBDMM C[C@]1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000824843272 608110725 /nfs/dbraw/zinc/11/07/25/608110725.db2.gz CHAWHHFMGZQQAX-LBPRGKRZSA-N -1 1 354.348 -0.080 20 5 FBBDMM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824858652 607608067 /nfs/dbraw/zinc/60/80/67/607608067.db2.gz LPXCJNWKNAQKEF-SSDOTTSWSA-N -1 1 367.347 -0.716 20 5 FBBDMM C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824858657 607607884 /nfs/dbraw/zinc/60/78/84/607607884.db2.gz LPXCJNWKNAQKEF-ZETCQYMHSA-N -1 1 367.347 -0.716 20 5 FBBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1O ZINC000824992692 608563941 /nfs/dbraw/zinc/56/39/41/608563941.db2.gz NNVMCGDUMGFSIK-APPZFPTMSA-N -1 1 354.348 -0.224 20 5 FBBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@@H]1O ZINC000824992694 608563516 /nfs/dbraw/zinc/56/35/16/608563516.db2.gz NNVMCGDUMGFSIK-CBAPKCEASA-N -1 1 354.348 -0.224 20 5 FBBDMM C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1O ZINC000824992696 608564007 /nfs/dbraw/zinc/56/40/07/608564007.db2.gz NNVMCGDUMGFSIK-IONNQARKSA-N -1 1 354.348 -0.224 20 5 FBBDMM C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C[C@H]1O ZINC000824992699 608564099 /nfs/dbraw/zinc/56/40/99/608564099.db2.gz NNVMCGDUMGFSIK-VXNVDRBHSA-N -1 1 354.348 -0.224 20 5 FBBDMM CCCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825328570 607578800 /nfs/dbraw/zinc/57/88/00/607578800.db2.gz UKDWYOOXKCCUFA-UHFFFAOYSA-N -1 1 369.363 -0.421 20 5 FBBDMM CCN(CC(=O)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825399637 607606627 /nfs/dbraw/zinc/60/66/27/607606627.db2.gz ZWIWIARCYFESJW-UHFFFAOYSA-N -1 1 370.347 -0.042 20 5 FBBDMM CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825465467 607583263 /nfs/dbraw/zinc/58/32/63/607583263.db2.gz MABKYIBRGCIAFJ-SSDOTTSWSA-N -1 1 369.363 -0.422 20 5 FBBDMM CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825465469 607583557 /nfs/dbraw/zinc/58/35/57/607583557.db2.gz MABKYIBRGCIAFJ-ZETCQYMHSA-N -1 1 369.363 -0.422 20 5 FBBDMM CCNC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825471574 607578238 /nfs/dbraw/zinc/57/82/38/607578238.db2.gz XDGRPBVRAWRUNU-UHFFFAOYSA-N -1 1 355.336 -0.811 20 5 FBBDMM CCNS(=O)(=O)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000825476513 608197394 /nfs/dbraw/zinc/19/73/94/608197394.db2.gz MJEPOYPJEKDXOQ-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CCNS(=O)(=O)[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000825476513 608197392 /nfs/dbraw/zinc/19/73/92/608197392.db2.gz MJEPOYPJEKDXOQ-MRVPVSSYSA-N -1 1 368.379 -0.312 20 5 FBBDMM CCNS(=O)(=O)[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000825476514 608197265 /nfs/dbraw/zinc/19/72/65/608197265.db2.gz MJEPOYPJEKDXOQ-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CCNS(=O)(=O)[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000825476514 608197263 /nfs/dbraw/zinc/19/72/63/608197263.db2.gz MJEPOYPJEKDXOQ-QMMMGPOBSA-N -1 1 368.379 -0.312 20 5 FBBDMM CCOC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825511925 607598896 /nfs/dbraw/zinc/59/88/96/607598896.db2.gz LJUNTGBHDSQOOG-UHFFFAOYSA-N -1 1 370.347 -0.042 20 5 FBBDMM CCOC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825517643 607612953 /nfs/dbraw/zinc/61/29/53/607612953.db2.gz IWRDBNPXPJCNJT-UHFFFAOYSA-N -1 1 356.320 -0.384 20 5 FBBDMM CC[S@@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825669149 607612850 /nfs/dbraw/zinc/61/28/50/607612850.db2.gz QXEYITHYBAJSOP-HSZRJFAPSA-N -1 1 374.404 -0.178 20 5 FBBDMM CC[S@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825669150 607613019 /nfs/dbraw/zinc/61/30/19/607613019.db2.gz QXEYITHYBAJSOP-QHCPKHFHSA-N -1 1 374.404 -0.178 20 5 FBBDMM CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)[O-] ZINC000825680203 661105757 /nfs/dbraw/zinc/10/57/57/661105757.db2.gz XTZAEIXFADKYKM-ZCFIWIBFSA-N -1 1 356.320 -0.084 20 5 FBBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000825797204 607530845 /nfs/dbraw/zinc/53/08/45/607530845.db2.gz YIUZWIKXTLMBGK-GFCCVEGCSA-N -1 1 373.329 -0.148 20 5 FBBDMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000825797205 607530649 /nfs/dbraw/zinc/53/06/49/607530649.db2.gz YIUZWIKXTLMBGK-LBPRGKRZSA-N -1 1 373.329 -0.148 20 5 FBBDMM CN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825838622 607590190 /nfs/dbraw/zinc/59/01/90/607590190.db2.gz BHSKMFDXTVDMBH-UHFFFAOYSA-N -1 1 369.363 -0.469 20 5 FBBDMM CN(C)C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825839928 607578403 /nfs/dbraw/zinc/57/84/03/607578403.db2.gz LPCZYKGRMMYEGO-UHFFFAOYSA-N -1 1 355.336 -0.859 20 5 FBBDMM CN(C)C1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1 ZINC000825855837 608566924 /nfs/dbraw/zinc/56/69/24/608566924.db2.gz JZSMRVNAMCTULZ-UHFFFAOYSA-N -1 1 353.364 -0.291 20 5 FBBDMM CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825887296 607975772 /nfs/dbraw/zinc/97/57/72/607975772.db2.gz FMTDXYPDDCKNKO-MRVPVSSYSA-N -1 1 367.347 -0.716 20 5 FBBDMM CN([C@H]1CCNC1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825887299 607975934 /nfs/dbraw/zinc/97/59/34/607975934.db2.gz FMTDXYPDDCKNKO-QMMMGPOBSA-N -1 1 367.347 -0.716 20 5 FBBDMM CN(CCC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825914607 608011042 /nfs/dbraw/zinc/01/10/42/608011042.db2.gz LJEMRONWYYLJBH-UHFFFAOYSA-N -1 1 356.320 -0.130 20 5 FBBDMM CN1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000826016885 607603056 /nfs/dbraw/zinc/60/30/56/607603056.db2.gz HOXHMEMQMZVDDH-SSDOTTSWSA-N -1 1 367.347 -0.716 20 5 FBBDMM CN1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000826016888 607603001 /nfs/dbraw/zinc/60/30/01/607603001.db2.gz HOXHMEMQMZVDDH-ZETCQYMHSA-N -1 1 367.347 -0.716 20 5 FBBDMM CN1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1=O ZINC000826028610 607621240 /nfs/dbraw/zinc/62/12/40/607621240.db2.gz DIXFBSFNNMBNIL-SSDOTTSWSA-N -1 1 367.347 -0.716 20 5 FBBDMM CN1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1=O ZINC000826028611 607621358 /nfs/dbraw/zinc/62/13/58/607621358.db2.gz DIXFBSFNNMBNIL-ZETCQYMHSA-N -1 1 367.347 -0.716 20 5 FBBDMM CN1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1=O ZINC000826044177 609397383 /nfs/dbraw/zinc/39/73/83/609397383.db2.gz BAPZXRRXYJWROE-UHFFFAOYSA-N -1 1 353.320 -0.805 20 5 FBBDMM CNC(=O)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826052727 607594503 /nfs/dbraw/zinc/59/45/03/607594503.db2.gz TXGGAYNDWBVKLU-LURJTMIESA-N -1 1 355.336 -0.812 20 5 FBBDMM CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826052728 607665606 /nfs/dbraw/zinc/66/56/06/607665606.db2.gz TXGGAYNDWBVKLU-ZCFIWIBFSA-N -1 1 355.336 -0.812 20 5 FBBDMM CNS(=O)(=O)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000826090396 607542605 /nfs/dbraw/zinc/54/26/05/607542605.db2.gz GXUOVEGMENWBGD-SSDOTTSWSA-N -1 1 354.352 -0.702 20 5 FBBDMM CNS(=O)(=O)[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000826090396 607542604 /nfs/dbraw/zinc/54/26/04/607542604.db2.gz GXUOVEGMENWBGD-SSDOTTSWSA-N -1 1 354.352 -0.702 20 5 FBBDMM CNS(=O)(=O)[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000826090404 607542429 /nfs/dbraw/zinc/54/24/29/607542429.db2.gz GXUOVEGMENWBGD-ZETCQYMHSA-N -1 1 354.352 -0.702 20 5 FBBDMM CNS(=O)(=O)[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000826090404 607542427 /nfs/dbraw/zinc/54/24/27/607542427.db2.gz GXUOVEGMENWBGD-ZETCQYMHSA-N -1 1 354.352 -0.702 20 5 FBBDMM COC(=O)[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826104016 607673915 /nfs/dbraw/zinc/67/39/15/607673915.db2.gz NXHSKQIGGOCZMW-SSDOTTSWSA-N -1 1 370.347 -0.138 20 5 FBBDMM COC(=O)[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826104017 607674331 /nfs/dbraw/zinc/67/43/31/607674331.db2.gz NXHSKQIGGOCZMW-ZETCQYMHSA-N -1 1 370.347 -0.138 20 5 FBBDMM COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826138243 607937593 /nfs/dbraw/zinc/93/75/93/607937593.db2.gz LXTKKZUCWNLXDX-UHFFFAOYSA-N -1 1 356.320 -0.432 20 5 FBBDMM COC[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826148952 607636056 /nfs/dbraw/zinc/63/60/56/607636056.db2.gz VFXSXANTBZBKOW-GFCCVEGCSA-N -1 1 372.363 -0.549 20 5 FBBDMM COC[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826148953 607635892 /nfs/dbraw/zinc/63/58/92/607635892.db2.gz VFXSXANTBZBKOW-LBPRGKRZSA-N -1 1 372.363 -0.549 20 5 FBBDMM COC[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OC ZINC000826149145 609318634 /nfs/dbraw/zinc/31/86/34/609318634.db2.gz ALOYTTWBXXLTPS-MRVPVSSYSA-N -1 1 372.363 -0.285 20 5 FBBDMM COC[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)OC ZINC000826149146 609318623 /nfs/dbraw/zinc/31/86/23/609318623.db2.gz ALOYTTWBXXLTPS-QMMMGPOBSA-N -1 1 372.363 -0.285 20 5 FBBDMM COC[C@@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826149911 608756668 /nfs/dbraw/zinc/75/66/68/608756668.db2.gz RSEPGDLPTFNZND-MRVPVSSYSA-N -1 1 372.363 -0.549 20 5 FBBDMM COC[C@H](CCO)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826149912 608756903 /nfs/dbraw/zinc/75/69/03/608756903.db2.gz RSEPGDLPTFNZND-QMMMGPOBSA-N -1 1 372.363 -0.549 20 5 FBBDMM COC[C@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826152350 608238914 /nfs/dbraw/zinc/23/89/14/608238914.db2.gz XFAVHYIXNPVVIG-MRVPVSSYSA-N -1 1 372.363 -0.549 20 5 FBBDMM COC[C@@H](O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826152351 608238849 /nfs/dbraw/zinc/23/88/49/608238849.db2.gz XFAVHYIXNPVVIG-QMMMGPOBSA-N -1 1 372.363 -0.549 20 5 FBBDMM COCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826158329 607630967 /nfs/dbraw/zinc/63/09/67/607630967.db2.gz KVMKOOXTROPLMG-UHFFFAOYSA-N -1 1 372.363 -0.596 20 5 FBBDMM COCCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826160962 607597629 /nfs/dbraw/zinc/59/76/29/607597629.db2.gz NZHKMINJSQRMTF-UHFFFAOYSA-N -1 1 372.363 -0.284 20 5 FBBDMM COc1cc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)ccc1[N+](=O)[O-] ZINC000826180008 609419117 /nfs/dbraw/zinc/41/91/17/609419117.db2.gz OPLQSGCNLXLWGJ-UHFFFAOYSA-N -1 1 359.302 -0.308 20 5 FBBDMM COc1ccc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)cc1[N+](=O)[O-] ZINC000826208348 608096375 /nfs/dbraw/zinc/09/63/75/608096375.db2.gz GHLZLFMYKBASNW-UHFFFAOYSA-N -1 1 359.302 -0.308 20 5 FBBDMM CS(=O)(=O)N1CC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000826223283 607809392 /nfs/dbraw/zinc/80/93/92/607809392.db2.gz HSQCGQYVXNJFOF-MRVPVSSYSA-N -1 1 368.379 -0.137 20 5 FBBDMM CS(=O)(=O)N1CC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000826223283 607809391 /nfs/dbraw/zinc/80/93/91/607809391.db2.gz HSQCGQYVXNJFOF-MRVPVSSYSA-N -1 1 368.379 -0.137 20 5 FBBDMM CS(=O)(=O)N1CC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000826223284 607809352 /nfs/dbraw/zinc/80/93/52/607809352.db2.gz HSQCGQYVXNJFOF-QMMMGPOBSA-N -1 1 368.379 -0.137 20 5 FBBDMM CS(=O)(=O)N1CC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000826223284 607809351 /nfs/dbraw/zinc/80/93/51/607809351.db2.gz HSQCGQYVXNJFOF-QMMMGPOBSA-N -1 1 368.379 -0.137 20 5 FBBDMM C[S@@](=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826224797 607618450 /nfs/dbraw/zinc/61/84/50/607618450.db2.gz LVHIMOHHZAYNLX-HSZRJFAPSA-N -1 1 374.404 -0.178 20 5 FBBDMM C[S@](=O)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826224798 607618602 /nfs/dbraw/zinc/61/86/02/607618602.db2.gz LVHIMOHHZAYNLX-QHCPKHFHSA-N -1 1 374.404 -0.178 20 5 FBBDMM C[S@@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826225081 607618669 /nfs/dbraw/zinc/61/86/69/607618669.db2.gz SKFNCVXVYJALDF-JOCHJYFZSA-N -1 1 360.377 -0.568 20 5 FBBDMM C[S@](=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826225082 607618733 /nfs/dbraw/zinc/61/87/33/607618733.db2.gz SKFNCVXVYJALDF-QFIPXVFZSA-N -1 1 360.377 -0.568 20 5 FBBDMM C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)N(C)C ZINC000826231983 607664264 /nfs/dbraw/zinc/66/42/64/607664264.db2.gz ZOOILWVNFNOCNA-SSDOTTSWSA-N -1 1 369.363 -0.470 20 5 FBBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000826233245 661110022 /nfs/dbraw/zinc/11/00/22/661110022.db2.gz ZKKGQDMMWMGQJQ-QMMMGPOBSA-N -1 1 368.379 -0.360 20 5 FBBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000826233245 661110021 /nfs/dbraw/zinc/11/00/21/661110021.db2.gz ZKKGQDMMWMGQJQ-QMMMGPOBSA-N -1 1 368.379 -0.360 20 5 FBBDMM Cc1nn(CCn2cc([N+](=O)[O-])ccc2=O)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334828 608076993 /nfs/dbraw/zinc/07/69/93/608076993.db2.gz LCOZXOWJJJOGQB-UHFFFAOYSA-N -1 1 358.318 -0.190 20 5 FBBDMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCc2cccc([N+](=O)[O-])c2)n(C)c1=O ZINC000826355965 607968448 /nfs/dbraw/zinc/96/84/48/607968448.db2.gz VAVGEGOUFHHNDM-UHFFFAOYSA-N -1 1 372.345 -0.173 20 5 FBBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000826356616 607531361 /nfs/dbraw/zinc/53/13/61/607531361.db2.gz YQQDGRQRHFPUDF-LLVKDONJSA-N -1 1 359.302 -0.631 20 5 FBBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000826356617 607531164 /nfs/dbraw/zinc/53/11/64/607531164.db2.gz YQQDGRQRHFPUDF-NSHDSACASA-N -1 1 359.302 -0.631 20 5 FBBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2cccc([N+](=O)[O-])c2)c1=O ZINC000826356947 608095844 /nfs/dbraw/zinc/09/58/44/608095844.db2.gz LSLUNXBSIMBBPB-UHFFFAOYSA-N -1 1 359.302 -0.286 20 5 FBBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c1=O ZINC000826357113 608096807 /nfs/dbraw/zinc/09/68/07/608096807.db2.gz RMIAJFIGCLECAK-UHFFFAOYSA-N -1 1 359.302 -0.286 20 5 FBBDMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccccc2[N+](=O)[O-])c1=O ZINC000826357199 608096179 /nfs/dbraw/zinc/09/61/79/608096179.db2.gz VREZOPNXABWEGN-UHFFFAOYSA-N -1 1 359.302 -0.286 20 5 FBBDMM Cn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cn1 ZINC000826361808 607596521 /nfs/dbraw/zinc/59/65/21/607596521.db2.gz QARGZKKCYLCAKG-UHFFFAOYSA-N -1 1 364.347 -0.013 20 5 FBBDMM Cn1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)nn1 ZINC000826361956 661111198 /nfs/dbraw/zinc/11/11/98/661111198.db2.gz XKILDNXBXXAJFC-UHFFFAOYSA-N -1 1 365.335 -0.618 20 5 FBBDMM Cn1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)n1 ZINC000826363217 608238749 /nfs/dbraw/zinc/23/87/49/608238749.db2.gz CJCKDSXFXSBROV-UHFFFAOYSA-N -1 1 364.347 -0.013 20 5 FBBDMM Cn1ccnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826364002 609497845 /nfs/dbraw/zinc/49/78/45/609497845.db2.gz HTLNVANGTCXNCQ-UHFFFAOYSA-N -1 1 364.347 -0.013 20 5 FBBDMM Cn1cnnc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826366229 607584108 /nfs/dbraw/zinc/58/41/08/607584108.db2.gz YLPZISUPSXSPMG-UHFFFAOYSA-N -1 1 365.335 -0.618 20 5 FBBDMM Cn1nccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826366692 607583985 /nfs/dbraw/zinc/58/39/85/607583985.db2.gz UHNVGWUOHVKHBD-UHFFFAOYSA-N -1 1 364.347 -0.013 20 5 FBBDMM NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1 ZINC000826389507 607680105 /nfs/dbraw/zinc/68/01/05/607680105.db2.gz ABUYRIKIRSFQOK-UHFFFAOYSA-N -1 1 367.347 -0.539 20 5 FBBDMM NC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC000826390417 607671399 /nfs/dbraw/zinc/67/13/99/607671399.db2.gz YXORNNTWYSLEFN-UHFFFAOYSA-N -1 1 353.320 -0.929 20 5 FBBDMM NC(=O)CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826390581 608566314 /nfs/dbraw/zinc/56/63/14/608566314.db2.gz FGAQZXFPRZEPAK-UHFFFAOYSA-N -1 1 369.363 -0.291 20 5 FBBDMM NS(=O)(=O)C[C@H]1CCCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826394765 609554990 /nfs/dbraw/zinc/55/49/90/609554990.db2.gz YABGCDDCHBMQIS-SSDOTTSWSA-N -1 1 354.352 -0.573 20 5 FBBDMM NS(=O)(=O)C[C@H]1CCCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826394765 609554987 /nfs/dbraw/zinc/55/49/87/609554987.db2.gz YABGCDDCHBMQIS-SSDOTTSWSA-N -1 1 354.352 -0.573 20 5 FBBDMM NS(=O)(=O)C[C@@H]1CCCN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826394766 609554483 /nfs/dbraw/zinc/55/44/83/609554483.db2.gz YABGCDDCHBMQIS-ZETCQYMHSA-N -1 1 354.352 -0.573 20 5 FBBDMM NS(=O)(=O)C[C@@H]1CCCN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826394766 609554481 /nfs/dbraw/zinc/55/44/81/609554481.db2.gz YABGCDDCHBMQIS-ZETCQYMHSA-N -1 1 354.352 -0.573 20 5 FBBDMM O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)NC1CC1 ZINC000826412928 607580760 /nfs/dbraw/zinc/58/07/60/607580760.db2.gz JTRRKWSCDYHWFS-UHFFFAOYSA-N -1 1 367.347 -0.668 20 5 FBBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000826425087 607957742 /nfs/dbraw/zinc/95/77/42/607957742.db2.gz PHWIKBRDKMWPQZ-UHFFFAOYSA-N -1 1 355.318 -0.049 20 5 FBBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000826425793 608002624 /nfs/dbraw/zinc/00/26/24/608002624.db2.gz UEYNFOXLSWGIBC-UHFFFAOYSA-N -1 1 355.278 -0.119 20 5 FBBDMM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826461061 608010708 /nfs/dbraw/zinc/01/07/08/608010708.db2.gz DRXKDRICPXTVIO-SSDOTTSWSA-N -1 1 368.331 -0.130 20 5 FBBDMM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826461062 608010839 /nfs/dbraw/zinc/01/08/39/608010839.db2.gz DRXKDRICPXTVIO-ZETCQYMHSA-N -1 1 368.331 -0.130 20 5 FBBDMM O=C([O-])CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826461123 608010317 /nfs/dbraw/zinc/01/03/17/608010317.db2.gz HAPSLFAZEVALQY-UHFFFAOYSA-N -1 1 356.320 -0.082 20 5 FBBDMM O=C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCN1 ZINC000826480469 607607492 /nfs/dbraw/zinc/60/74/92/607607492.db2.gz CPKOGNJOIZRWMB-UHFFFAOYSA-N -1 1 367.347 -0.715 20 5 FBBDMM O=C1NCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826483016 661111492 /nfs/dbraw/zinc/11/14/92/661111492.db2.gz YEJNBQIHIIOJHQ-SSDOTTSWSA-N -1 1 367.347 -0.668 20 5 FBBDMM O=C1NCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826483017 661111591 /nfs/dbraw/zinc/11/15/91/661111591.db2.gz YEJNBQIHIIOJHQ-ZETCQYMHSA-N -1 1 367.347 -0.668 20 5 FBBDMM O=C1OCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826483160 607576258 /nfs/dbraw/zinc/57/62/58/607576258.db2.gz CXRRUWBAHCYYDR-LURJTMIESA-N -1 1 354.304 -0.631 20 5 FBBDMM O=[N+]([O-])c1ccc(S(=O)(=O)CCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826499491 609486777 /nfs/dbraw/zinc/48/67/77/609486777.db2.gz KQGQUQHTMHWUMB-UHFFFAOYSA-N -1 1 350.320 -0.160 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)CCCO)c1-c1nn[n-]n1 ZINC000826499841 607635424 /nfs/dbraw/zinc/63/54/24/607635424.db2.gz ABTVKHBHSLEFBZ-UHFFFAOYSA-N -1 1 372.363 -0.860 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2COCCO2)c1-c1nn[n-]n1 ZINC000826499896 607594791 /nfs/dbraw/zinc/59/47/91/607594791.db2.gz DAUBIBABXSELCM-MRVPVSSYSA-N -1 1 370.347 -0.531 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2COCCO2)c1-c1nn[n-]n1 ZINC000826499897 607594738 /nfs/dbraw/zinc/59/47/38/607594738.db2.gz DAUBIBABXSELCM-QMMMGPOBSA-N -1 1 370.347 -0.531 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N(CCO)C2CC2)c1-c1nn[n-]n1 ZINC000826499923 607627127 /nfs/dbraw/zinc/62/71/27/607627127.db2.gz DZFQNOKGAWMBPO-UHFFFAOYSA-N -1 1 354.348 -0.080 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H](CO)C2CC2)c1-c1nn[n-]n1 ZINC000826499925 607639231 /nfs/dbraw/zinc/63/92/31/607639231.db2.gz FCCYQOTYOCUPIG-MRVPVSSYSA-N -1 1 354.348 -0.176 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H](CO)C2CC2)c1-c1nn[n-]n1 ZINC000826499926 607639270 /nfs/dbraw/zinc/63/92/70/607639270.db2.gz FCCYQOTYOCUPIG-QMMMGPOBSA-N -1 1 354.348 -0.176 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCC2)c1-c1nn[n-]n1 ZINC000826499943 607629204 /nfs/dbraw/zinc/62/92/04/607629204.db2.gz FPSRRUGVWBDBCA-UHFFFAOYSA-N -1 1 354.348 -0.032 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCN2CCC2)c1-c1nn[n-]n1 ZINC000826500108 607745404 /nfs/dbraw/zinc/74/54/04/607745404.db2.gz LIDBIRJVINGEOW-UHFFFAOYSA-N -1 1 353.364 -0.241 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)CC2)c1-c1nn[n-]n1 ZINC000826500117 607659910 /nfs/dbraw/zinc/65/99/10/607659910.db2.gz LVMNAVWYAHHXLH-UHFFFAOYSA-N -1 1 354.348 -0.174 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCOC2)c1-c1nn[n-]n1 ZINC000826500154 607853873 /nfs/dbraw/zinc/85/38/73/607853873.db2.gz NEFSRBRVWLFKIT-GFCCVEGCSA-N -1 1 370.347 -0.795 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1-c1nn[n-]n1 ZINC000826500155 607853996 /nfs/dbraw/zinc/85/39/96/607853996.db2.gz NEFSRBRVWLFKIT-LBPRGKRZSA-N -1 1 370.347 -0.795 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1-c1nn[n-]n1 ZINC000826500204 607629065 /nfs/dbraw/zinc/62/90/65/607629065.db2.gz OEXBPGDLEIYSGI-MRVPVSSYSA-N -1 1 354.348 -0.080 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1-c1nn[n-]n1 ZINC000826500205 607629088 /nfs/dbraw/zinc/62/90/88/607629088.db2.gz OEXBPGDLEIYSGI-QMMMGPOBSA-N -1 1 354.348 -0.080 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500216 608568399 /nfs/dbraw/zinc/56/83/99/608568399.db2.gz OOIQGERDFMCPHR-MRVPVSSYSA-N -1 1 354.348 -0.222 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500217 608568218 /nfs/dbraw/zinc/56/82/18/608568218.db2.gz OOIQGERDFMCPHR-QMMMGPOBSA-N -1 1 354.348 -0.222 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2ccnn2)c1-c1nn[n-]n1 ZINC000826500250 661111527 /nfs/dbraw/zinc/11/15/27/661111527.db2.gz PRTOQZAFBKQITF-UHFFFAOYSA-N -1 1 365.335 -0.655 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCOCCO)c1-c1nn[n-]n1 ZINC000826500264 607623476 /nfs/dbraw/zinc/62/34/76/607623476.db2.gz QPZMSFKOLWGOTH-UHFFFAOYSA-N -1 1 358.336 -0.938 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500301 607662046 /nfs/dbraw/zinc/66/20/46/607662046.db2.gz SQOFSAWOZTXCOO-DTWKUNHWSA-N -1 1 366.359 -0.010 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(CO)COC2)c1-c1nn[n-]n1 ZINC000826500326 607679288 /nfs/dbraw/zinc/67/92/88/607679288.db2.gz UHGGRVAQFXELPL-UHFFFAOYSA-N -1 1 370.347 -0.938 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(O)CC2)c1-c1nn[n-]n1 ZINC000826500338 607623042 /nfs/dbraw/zinc/62/30/42/607623042.db2.gz UNSYRSIKOCIRBM-UHFFFAOYSA-N -1 1 354.348 -0.080 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NCCn2cncn2)c1-c1nn[n-]n1 ZINC000826500355 607599985 /nfs/dbraw/zinc/59/99/85/607599985.db2.gz VMFSGRPQROZMKT-UHFFFAOYSA-N -1 1 365.335 -0.655 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500393 607666893 /nfs/dbraw/zinc/66/68/93/607666893.db2.gz WYIXPADZCFMBJB-MRVPVSSYSA-N -1 1 370.347 -0.843 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCO[C@H](CO)C2)c1-c1nn[n-]n1 ZINC000826500394 607667100 /nfs/dbraw/zinc/66/71/00/607667100.db2.gz WYIXPADZCFMBJB-QMMMGPOBSA-N -1 1 370.347 -0.843 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000826500423 607623103 /nfs/dbraw/zinc/62/31/03/607623103.db2.gz YDSHXIRSPVXQMF-MRVPVSSYSA-N -1 1 354.348 -0.080 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000826500424 607623280 /nfs/dbraw/zinc/62/32/80/607623280.db2.gz YDSHXIRSPVXQMF-QMMMGPOBSA-N -1 1 354.348 -0.080 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC2(CO)CCC2)c1-c1nn[n-]n1 ZINC000826500447 608568152 /nfs/dbraw/zinc/56/81/52/608568152.db2.gz YNYLXUPOYGBXLG-UHFFFAOYSA-N -1 1 354.348 -0.032 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CC2)c1-c1nn[n-]n1 ZINC000826500474 607742405 /nfs/dbraw/zinc/74/24/05/607742405.db2.gz ZPAPHSNHFGDABS-SECBINFHSA-N -1 1 354.348 -0.176 20 5 FBBDMM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C2CC2)c1-c1nn[n-]n1 ZINC000826500475 607742544 /nfs/dbraw/zinc/74/25/44/607742544.db2.gz ZPAPHSNHFGDABS-VIFPVBQESA-N -1 1 354.348 -0.176 20 5 FBBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000827369172 601088190 /nfs/dbraw/zinc/08/81/90/601088190.db2.gz PWRAPEFHTNAKIG-LLVKDONJSA-N -1 1 352.347 -0.236 20 5 FBBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000827369173 601088601 /nfs/dbraw/zinc/08/86/01/601088601.db2.gz PWRAPEFHTNAKIG-NSHDSACASA-N -1 1 352.347 -0.236 20 5 FBBDMM CN1CCO[C@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000830963665 602137523 /nfs/dbraw/zinc/13/75/23/602137523.db2.gz DRKQPTPKBPULDO-KBPBESRZSA-N -1 1 364.358 -0.072 20 5 FBBDMM CN1CCO[C@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830963673 602137554 /nfs/dbraw/zinc/13/75/54/602137554.db2.gz DRKQPTPKBPULDO-KGLIPLIRSA-N -1 1 364.358 -0.072 20 5 FBBDMM CN1CCO[C@@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000830963675 602137597 /nfs/dbraw/zinc/13/75/97/602137597.db2.gz DRKQPTPKBPULDO-UONOGXRCSA-N -1 1 364.358 -0.072 20 5 FBBDMM CN1CCO[C@@H]2CN(c3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830963678 602137790 /nfs/dbraw/zinc/13/77/90/602137790.db2.gz DRKQPTPKBPULDO-ZIAGYGMSSA-N -1 1 364.358 -0.072 20 5 FBBDMM C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1CCC(=O)[O-] ZINC000833622054 605278898 /nfs/dbraw/zinc/27/88/98/605278898.db2.gz LCJPKCWALFDDGG-LLVKDONJSA-N -1 1 352.347 -0.236 20 5 FBBDMM C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1CCC(=O)[O-] ZINC000833622055 605278948 /nfs/dbraw/zinc/27/89/48/605278948.db2.gz LCJPKCWALFDDGG-NSHDSACASA-N -1 1 352.347 -0.236 20 5 FBBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000833627745 605057403 /nfs/dbraw/zinc/05/74/03/605057403.db2.gz ZQGUCUIRVLQPBS-LLVKDONJSA-N -1 1 354.367 -0.018 20 5 FBBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000833627748 605057422 /nfs/dbraw/zinc/05/74/22/605057422.db2.gz ZQGUCUIRVLQPBS-NSHDSACASA-N -1 1 354.367 -0.018 20 5 FBBDMM O=C([O-])N1CCN(C(=O)CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000834020563 605774953 /nfs/dbraw/zinc/77/49/53/605774953.db2.gz UOTYPFNCIZNYRY-UHFFFAOYSA-N -1 1 352.303 -0.148 20 5 FBBDMM O=C([N-]S(=O)(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842299056 661188284 /nfs/dbraw/zinc/18/82/84/661188284.db2.gz HNLKAFSTAOPHEP-ZIAGYGMSSA-N -1 1 368.415 -0.170 20 5 FBBDMM CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)[C@@H]3CC3[N+](=O)[O-])cc2C1=O ZINC000842342826 661188312 /nfs/dbraw/zinc/18/83/12/661188312.db2.gz GXIFZRRTWNTFMI-NXEZZACHSA-N -1 1 353.312 -0.618 20 5 FBBDMM COC(=O)Cc1cc(OC)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842378910 661189068 /nfs/dbraw/zinc/18/90/68/661189068.db2.gz BIOYNPYWKWPQEP-GHMZBOCLSA-N -1 1 372.355 -0.119 20 5 FBBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@]1(O)CCS(=O)(=O)C1 ZINC000849395338 661272886 /nfs/dbraw/zinc/27/28/86/661272886.db2.gz CNSSGQCQTROQGA-LLVKDONJSA-N -1 1 368.364 -0.438 20 5 FBBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@]1(O)CCS(=O)(=O)C1 ZINC000849395339 661272975 /nfs/dbraw/zinc/27/29/75/661272975.db2.gz CNSSGQCQTROQGA-NSHDSACASA-N -1 1 368.364 -0.438 20 5 FBBDMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849432916 661274107 /nfs/dbraw/zinc/27/41/07/661274107.db2.gz BPFJKLZWARXZHH-BDAKNGLRSA-N -1 1 368.364 -0.176 20 5 FBBDMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849432919 661274254 /nfs/dbraw/zinc/27/42/54/661274254.db2.gz BPFJKLZWARXZHH-DTWKUNHWSA-N -1 1 368.364 -0.176 20 5 FBBDMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849432921 661274250 /nfs/dbraw/zinc/27/42/50/661274250.db2.gz BPFJKLZWARXZHH-IUCAKERBSA-N -1 1 368.364 -0.176 20 5 FBBDMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849432922 661274225 /nfs/dbraw/zinc/27/42/25/661274225.db2.gz BPFJKLZWARXZHH-RKDXNWHRSA-N -1 1 368.364 -0.176 20 5 FBBDMM CCS(=O)(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851193265 661293684 /nfs/dbraw/zinc/29/36/84/661293684.db2.gz JNTCBLVXCDLOJJ-HTQZYQBOSA-N -1 1 363.373 -0.655 20 5 FBBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)[O-])n1 ZINC000863406375 661420933 /nfs/dbraw/zinc/42/09/33/661420933.db2.gz AYDGXVUOWRSFNP-SECBINFHSA-N -1 1 362.364 -0.124 20 5 FBBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])n1 ZINC000863406376 661420912 /nfs/dbraw/zinc/42/09/12/661420912.db2.gz AYDGXVUOWRSFNP-VIFPVBQESA-N -1 1 362.364 -0.124 20 5 FBBDMM Cc1cnn(C[C@@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000863408258 661420939 /nfs/dbraw/zinc/42/09/39/661420939.db2.gz KWZILKUMOVFIHX-MRVPVSSYSA-N -1 1 358.336 -0.735 20 5 FBBDMM Cc1cnn(C[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000863408264 661420898 /nfs/dbraw/zinc/42/08/98/661420898.db2.gz KWZILKUMOVFIHX-QMMMGPOBSA-N -1 1 358.336 -0.735 20 5 FBBDMM O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001138394770 843667466 /nfs/dbraw/zinc/66/74/66/843667466.db2.gz FVCJBLCHOBSOPQ-RKDXNWHRSA-N -1 1 374.341 -0.371 20 5 FBBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCNS(C)(=O)=O)cc1F ZINC001186661480 840527985 /nfs/dbraw/zinc/52/79/85/840527985.db2.gz YQODNRQDDFBVLO-UHFFFAOYSA-N -1 1 355.369 -0.130 20 5 FBBDMM CNS(=O)(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001193378267 841027520 /nfs/dbraw/zinc/02/75/20/841027520.db2.gz INFLLFDMUFSCSF-UHFFFAOYSA-N -1 1 355.369 -0.049 20 5 FBBDMM CCn1cc(S(=O)(=O)[N-]C2CC(N3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC001213291429 844270133 /nfs/dbraw/zinc/27/01/33/844270133.db2.gz ULODHFSFYQDDBJ-UHFFFAOYSA-N -1 1 359.408 -0.047 20 5 FBBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCCC1 ZINC001213865603 844403946 /nfs/dbraw/zinc/40/39/46/844403946.db2.gz NDEWKYXSDLDGAR-UHFFFAOYSA-N -1 1 364.405 -0.306 20 5 FBBDMM O=[N+]([O-])c1c([O-])ccnc1O[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001225664755 845806325 /nfs/dbraw/zinc/80/63/25/845806325.db2.gz SRYGRQINQCGMAD-JTQLQIEISA-O -1 1 356.336 -0.094 20 5 FBBDMM O=[N+]([O-])c1c([O-])ccnc1O[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001225664756 845806161 /nfs/dbraw/zinc/80/61/61/845806161.db2.gz SRYGRQINQCGMAD-SNVBAGLBSA-O -1 1 356.336 -0.094 20 5 FBBDMM O=c1[n-]cnc(O[C@H](C[n+]2ccccc2)CS(=O)(=O)[O-])c1[N+](=O)[O-] ZINC001228140592 845870621 /nfs/dbraw/zinc/87/06/21/845870621.db2.gz KBACNWWKQQLVJU-SECBINFHSA-O -1 1 357.324 -0.699 20 5 FBBDMM O=c1[n-]cnc(O[C@@H](C[n+]2ccccc2)CS(=O)(=O)[O-])c1[N+](=O)[O-] ZINC001228140595 845869995 /nfs/dbraw/zinc/86/99/95/845869995.db2.gz KBACNWWKQQLVJU-VIFPVBQESA-O -1 1 357.324 -0.699 20 5 FBBDMM CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4nc[n-]c(=O)c4[N+](=O)[O-])C(=O)O[C@@H]3[C@H]2O1 ZINC001228141933 845869921 /nfs/dbraw/zinc/86/99/21/845869921.db2.gz XFIOBBLLEKPXSY-BISYPAIHSA-N -1 1 355.259 -0.360 20 5 FBBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001261501608 846551047 /nfs/dbraw/zinc/55/10/47/846551047.db2.gz HENUEUGSVUUILB-CYBMUJFWSA-N -1 1 357.344 -0.275 20 5 FBBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001261501609 846550999 /nfs/dbraw/zinc/55/09/99/846550999.db2.gz HENUEUGSVUUILB-ZDUSSCGKSA-N -1 1 357.344 -0.275 20 5 FBBDMM CN(CCOCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001280905138 847026118 /nfs/dbraw/zinc/02/61/18/847026118.db2.gz AJOGSBLOAMAGBT-GHMZBOCLSA-N -1 1 352.347 -0.343 20 5 FBBDMM CN(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001296099581 848030981 /nfs/dbraw/zinc/03/09/81/848030981.db2.gz PZRWLEQRRCZSNF-HTQZYQBOSA-N -1 1 368.312 -0.317 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001299140964 848088949 /nfs/dbraw/zinc/08/89/49/848088949.db2.gz BNNNKIYNOHWTIG-GXSJLCMTSA-N -1 1 357.344 -0.277 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001299140972 848088819 /nfs/dbraw/zinc/08/88/19/848088819.db2.gz BNNNKIYNOHWTIG-KOLCDFICSA-N -1 1 357.344 -0.277 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001299140974 848088855 /nfs/dbraw/zinc/08/88/55/848088855.db2.gz BNNNKIYNOHWTIG-MWLCHTKSSA-N -1 1 357.344 -0.277 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001299140976 848088724 /nfs/dbraw/zinc/08/87/24/848088724.db2.gz BNNNKIYNOHWTIG-ONGXEEELSA-N -1 1 357.344 -0.277 20 5 FBBDMM O=C1CCCN1C[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001319408020 848455432 /nfs/dbraw/zinc/45/54/32/848455432.db2.gz DJOVVSLLYFSEBT-SECBINFHSA-N -1 1 361.351 -0.005 20 5 FBBDMM O=C1CCCN1C[C@@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001319408022 848455183 /nfs/dbraw/zinc/45/51/83/848455183.db2.gz DJOVVSLLYFSEBT-VIFPVBQESA-N -1 1 361.351 -0.005 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001327170657 849379577 /nfs/dbraw/zinc/37/95/77/849379577.db2.gz JLJCEVHEBLERQP-CYBMUJFWSA-N -1 1 357.344 -0.275 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001327170658 849379068 /nfs/dbraw/zinc/37/90/68/849379068.db2.gz JLJCEVHEBLERQP-ZDUSSCGKSA-N -1 1 357.344 -0.275 20 5 FBBDMM CN(CCOCCNC(=O)c1ncccc1[O-])C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001336576309 850765198 /nfs/dbraw/zinc/76/51/98/850765198.db2.gz FPADCCPPTUNQJA-GHMZBOCLSA-N -1 1 352.347 -0.343 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001338372361 850875451 /nfs/dbraw/zinc/87/54/51/850875451.db2.gz XODKPWVADBDKPI-LLVKDONJSA-N -1 1 370.387 -0.360 20 5 FBBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001338372363 850875570 /nfs/dbraw/zinc/87/55/70/850875570.db2.gz XODKPWVADBDKPI-NSHDSACASA-N -1 1 370.387 -0.360 20 5 FBBDMM COCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC001338982027 850912942 /nfs/dbraw/zinc/91/29/42/850912942.db2.gz SUQUNLPMWZMDPK-GHMZBOCLSA-N -1 1 352.347 -0.343 20 5 FBBDMM