smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(OCc2ccccc2Cl)ccc2c3ccccc3c(=O)oc12 ZINC000000622119 219305806 /nfs/dbraw/zinc/30/58/06/219305806.db2.gz REOAWORCJKNMFL-UHFFFAOYSA-N 0 0 350.801 5.487 50 5 FKBARN COc1ccc(-c2coc3c2cc2c4ccccc4c(=O)oc2c3C)cc1 ZINC000000622318 206796536 /nfs/dbraw/zinc/79/65/36/206796536.db2.gz IBBPRXRMQOWSID-UHFFFAOYSA-N 0 0 356.377 5.676 50 5 FKBARN Brc1cccc(-c2nc3ccccc3c3nc4ccccc4n32)c1 ZINC000000625701 210251586 /nfs/dbraw/zinc/25/15/86/210251586.db2.gz HFAYLYFBUIBCSY-UHFFFAOYSA-N 0 0 374.241 5.465 50 5 FKBARN O=S(=O)(Nc1cc2ccccc2c2ccccc12)c1ccc(Cl)cc1 ZINC000000626211 570440089 /nfs/dbraw/zinc/44/00/89/570440089.db2.gz DNJIWZNEIXJQGP-UHFFFAOYSA-N 0 0 367.857 5.447 50 5 FKBARN Cc1cc(OCc2ccc(Cl)cc2)cc2oc(=O)c3ccccc3c12 ZINC000000627580 570440007 /nfs/dbraw/zinc/44/00/07/570440007.db2.gz QJRBNXFBUBMCDZ-UHFFFAOYSA-N 0 0 350.801 5.487 50 5 FKBARN O=c1oc2cc3occ(-c4ccc5c(c4)OCO5)c3cc2c2ccccc12 ZINC000000639057 210224373 /nfs/dbraw/zinc/22/43/73/210224373.db2.gz OAPZPQRYFIFCSY-UHFFFAOYSA-N 0 0 356.333 5.088 50 5 FKBARN Cc1c(OCc2ccc(Cl)cc2)ccc2c3ccccc3c(=O)oc12 ZINC000000639758 570442296 /nfs/dbraw/zinc/44/22/96/570442296.db2.gz RQTQKLLFLLQOBR-UHFFFAOYSA-N 0 0 350.801 5.487 50 5 FKBARN Cc1cc(OCc2ccccc2Cl)cc2oc(=O)c3ccccc3c12 ZINC000000651397 570444367 /nfs/dbraw/zinc/44/43/67/570444367.db2.gz SRBKLRCJHJOPHU-UHFFFAOYSA-N 0 0 350.801 5.487 50 5 FKBARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000654575 568010842 /nfs/dbraw/zinc/01/08/42/568010842.db2.gz OGKMCCVQSSDQDL-UHFFFAOYSA-N 0 0 367.792 5.244 50 5 FKBARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000656484 568010712 /nfs/dbraw/zinc/01/07/12/568010712.db2.gz XQILSXLTJADMPS-UHFFFAOYSA-N 0 0 368.776 5.293 50 5 FKBARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000656840 568011081 /nfs/dbraw/zinc/01/10/81/568011081.db2.gz GAGUBZFTPRTGBZ-UHFFFAOYSA-N 0 0 367.792 5.244 50 5 FKBARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000657355 210257368 /nfs/dbraw/zinc/25/73/68/210257368.db2.gz ZIDUFYIAALHFIT-UHFFFAOYSA-N 0 0 367.792 5.244 50 5 FKBARN O=[N+]([O-])c1ccccc1OP(=O)(Nc1ccccc1)Nc1ccccc1 ZINC000000658449 568010799 /nfs/dbraw/zinc/01/07/99/568010799.db2.gz MEIJBCPOWLVHLD-UHFFFAOYSA-N 0 0 369.317 5.306 50 5 FKBARN COc1ccc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc1OC ZINC000000659277 210257703 /nfs/dbraw/zinc/25/77/03/210257703.db2.gz GDALEOKCOQHMOF-UHFFFAOYSA-N 0 0 355.437 5.561 50 5 FKBARN O=C(Nc1cccc(Cl)c1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000659813 210259803 /nfs/dbraw/zinc/25/98/03/210259803.db2.gz HNDTWZQDRXGVCF-UHFFFAOYSA-N 0 0 367.213 5.369 50 5 FKBARN Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000000662851 210259842 /nfs/dbraw/zinc/25/98/42/210259842.db2.gz YKHBGPIZDWYQDF-UHFFFAOYSA-N 0 0 360.413 5.064 50 5 FKBARN COc1cc(OC)cc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)c1 ZINC000000666346 210259686 /nfs/dbraw/zinc/25/96/86/210259686.db2.gz ATYUICSTFUXHTC-UHFFFAOYSA-N 0 0 354.409 5.554 50 5 FKBARN O=[N+]([O-])/C(=C\c1ccc(-c2ccccc2Br)o1)c1ccccc1 ZINC000000667071 570445844 /nfs/dbraw/zinc/44/58/44/570445844.db2.gz IEDNCYWHLOLCLK-ATVHPVEESA-N 0 0 370.202 5.484 50 5 FKBARN Cc1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1C ZINC000000667835 219311355 /nfs/dbraw/zinc/31/13/55/219311355.db2.gz DRWZBDJNDGEOLY-UHFFFAOYSA-N 0 0 360.822 5.332 50 5 FKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000000671501 210261215 /nfs/dbraw/zinc/26/12/15/210261215.db2.gz UCVWLKPFSFGTAI-UHFFFAOYSA-N 0 0 352.777 5.168 50 5 FKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000000672304 210261380 /nfs/dbraw/zinc/26/13/80/210261380.db2.gz MWTSYGNOGFDNRJ-UHFFFAOYSA-N 0 0 366.804 5.019 50 5 FKBARN Cc1cccc(C)c1NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000673329 210261105 /nfs/dbraw/zinc/26/11/05/210261105.db2.gz WNDOIRHKWYVDBU-UHFFFAOYSA-N 0 0 360.822 5.332 50 5 FKBARN Cn1c2ccc(Br)cc2c2nc3cc4ccccc4cc3nc21 ZINC000000675382 203942204 /nfs/dbraw/zinc/94/22/04/203942204.db2.gz MFAORBXIFHLZOD-UHFFFAOYSA-N 0 0 362.230 5.190 50 5 FKBARN CC1=Cc2c(ccc3ccccc32)O[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000000677188 568068483 /nfs/dbraw/zinc/06/84/83/568068483.db2.gz GLHIUXHNBQQVET-QFIPXVFZSA-N 0 0 357.365 5.346 50 5 FKBARN CC1=Cc2c(ccc3ccccc32)O[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000000677190 568067853 /nfs/dbraw/zinc/06/78/53/568067853.db2.gz GLHIUXHNBQQVET-JOCHJYFZSA-N 0 0 357.365 5.346 50 5 FKBARN c1coc(-c2nc3c(c4ccccc4c4ccccc34)n2Cc2ccccc2)c1 ZINC000000677277 210261883 /nfs/dbraw/zinc/26/18/83/210261883.db2.gz BGPNHBUSVJZOLV-UHFFFAOYSA-N 0 0 374.443 6.651 50 5 FKBARN CC1=Cc2cc([N+](=O)[O-])ccc2O[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000000678625 219312401 /nfs/dbraw/zinc/31/24/01/219312401.db2.gz ORVZQQYJOQPSNU-QFIPXVFZSA-N 0 0 357.365 5.346 50 5 FKBARN CC1=Cc2cc([N+](=O)[O-])ccc2O[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000000678626 219312614 /nfs/dbraw/zinc/31/26/14/219312614.db2.gz ORVZQQYJOQPSNU-JOCHJYFZSA-N 0 0 357.365 5.346 50 5 FKBARN CCOC(=O)c1cccc(Nc2cc(C)nc3c4ccccc4ccc23)c1 ZINC000000703415 210262276 /nfs/dbraw/zinc/26/22/76/210262276.db2.gz AIDNGAUFBMSGCM-UHFFFAOYSA-N 0 0 356.425 5.617 50 5 FKBARN O=c1c([N+](=O)[O-])c(Sc2ccccc2)c2ccccc2n1-c1ccccc1 ZINC000000704376 568098652 /nfs/dbraw/zinc/09/86/52/568098652.db2.gz QAGQNPUHRQZFOY-UHFFFAOYSA-N 0 0 374.421 5.050 50 5 FKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(C)cc1 ZINC000000706912 570451626 /nfs/dbraw/zinc/45/16/26/570451626.db2.gz HNXYOVVPIPGWKH-UHFFFAOYSA-N 0 0 356.425 5.617 50 5 FKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1cccc(OC)c1 ZINC000000706913 203943670 /nfs/dbraw/zinc/94/36/70/203943670.db2.gz UESPVDGZADQJSP-UHFFFAOYSA-N 0 0 372.424 5.317 50 5 FKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(OC)cc1 ZINC000000706914 570451631 /nfs/dbraw/zinc/45/16/31/570451631.db2.gz IDQNKURRWZOLOR-UHFFFAOYSA-N 0 0 372.424 5.317 50 5 FKBARN O=C1c2ccccc2-c2c1c1c(ccc3ccccc31)nc2-c1ccncc1 ZINC000000709485 219315600 /nfs/dbraw/zinc/31/56/00/219315600.db2.gz LUPHXAIPGPEVHG-UHFFFAOYSA-N 0 0 358.400 5.661 50 5 FKBARN Cc1cccc(Oc2cc(NC(=O)c3ccccc3F)cc([N+](=O)[O-])c2)c1 ZINC000000710880 203945266 /nfs/dbraw/zinc/94/52/66/203945266.db2.gz ZVBVPYCVGYQIQW-UHFFFAOYSA-N 0 0 366.348 5.087 50 5 FKBARN O=C(c1cccc([N+](=O)[O-])c1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000000711055 219316063 /nfs/dbraw/zinc/31/60/63/219316063.db2.gz RYDRBVNYIUCHBV-UHFFFAOYSA-N 0 0 368.392 5.727 50 5 FKBARN O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000000711144 219316510 /nfs/dbraw/zinc/31/65/10/219316510.db2.gz LLARRESJTDDKCG-UHFFFAOYSA-N 0 0 368.389 5.137 50 5 FKBARN Cc1ccc2cccc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2n1 ZINC000000712856 568120080 /nfs/dbraw/zinc/12/00/80/568120080.db2.gz RUBRIFUTMIRABZ-UHFFFAOYSA-N 0 0 364.348 5.621 50 5 FKBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000715475 219316251 /nfs/dbraw/zinc/31/62/51/219316251.db2.gz TWBXXECVLODUSF-UHFFFAOYSA-N 0 0 368.776 5.293 50 5 FKBARN COc1ccc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)cc1OC ZINC000000716866 568127303 /nfs/dbraw/zinc/12/73/03/568127303.db2.gz YRFWUFUFYQEJJH-UHFFFAOYSA-N 0 0 354.409 5.554 50 5 FKBARN Cc1sc2nc3c4ccccc4c(-c4ccc(C)cc4)nn3c(=O)c2c1C ZINC000000719319 219317255 /nfs/dbraw/zinc/31/72/55/219317255.db2.gz IXVCNJHYABHQDQ-UHFFFAOYSA-N 0 0 371.465 5.050 50 5 FKBARN Cc1csc2nc(-c3ccccc3)c(Sc3ccc([N+](=O)[O-])cc3)n12 ZINC000000719567 219317091 /nfs/dbraw/zinc/31/70/91/219317091.db2.gz FPBSFBLTOCTXPB-UHFFFAOYSA-N 0 0 367.455 5.431 50 5 FKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1cccc2cccnc21 ZINC000000721817 206826808 /nfs/dbraw/zinc/82/68/08/206826808.db2.gz MNKDPDXBUCCJBR-UHFFFAOYSA-N 0 0 350.321 5.313 50 5 FKBARN CN1c2ccccc2C(C)(C)/C1=C\[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000723812 219317119 /nfs/dbraw/zinc/31/71/19/219317119.db2.gz BOWPXTOSMCABJA-UZUMKDMXSA-N 0 0 356.853 5.012 50 5 FKBARN CN1c2ccccc2C(C)(C)/C1=C\[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000000723814 219317010 /nfs/dbraw/zinc/31/70/10/219317010.db2.gz BOWPXTOSMCABJA-IYSPOMMRSA-N 0 0 356.853 5.012 50 5 FKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccccc2)n1 ZINC000000727240 210265649 /nfs/dbraw/zinc/26/56/49/210265649.db2.gz PYCVGSMDIXWGOP-UHFFFAOYSA-N 0 0 370.433 5.813 50 5 FKBARN CCOC(=O)Cc1cc(-c2ccc(F)cc2)nc2ccc3ccccc3c12 ZINC000000727573 203946366 /nfs/dbraw/zinc/94/63/66/203946366.db2.gz GYLMXEAZQPHGCX-UHFFFAOYSA-N 0 0 359.400 5.300 50 5 FKBARN CCOC(=O)Cc1cc(-c2ccc(OC)cc2)nc2ccc3ccccc3c12 ZINC000000727621 210265799 /nfs/dbraw/zinc/26/57/99/210265799.db2.gz MPSVZSZPZTUWDP-UHFFFAOYSA-N 0 0 371.436 5.169 50 5 FKBARN COc1cccc(-c2nc3ccc4ccccc4c3c3c2CCC3)c1OC ZINC000000727628 570454055 /nfs/dbraw/zinc/45/40/55/570454055.db2.gz KZDFHRYRRRUDJL-UHFFFAOYSA-N 0 0 355.437 5.561 50 5 FKBARN COc1cccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)c1OC ZINC000000727629 210265166 /nfs/dbraw/zinc/26/51/66/210265166.db2.gz KNFAYIRXQNWXIT-UHFFFAOYSA-N 0 0 369.464 5.951 50 5 FKBARN Cc1ccc(-c2nc3ccccc3nc2Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000728352 206827847 /nfs/dbraw/zinc/82/78/47/206827847.db2.gz ZSOXUCVWAIGBAZ-UHFFFAOYSA-N 0 0 355.397 5.104 50 5 FKBARN O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000728365 219317974 /nfs/dbraw/zinc/31/79/74/219317974.db2.gz OHRHNRCNVJTWCA-UHFFFAOYSA-N 0 0 368.776 5.293 50 5 FKBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 ZINC000000752654 219318561 /nfs/dbraw/zinc/31/85/61/219318561.db2.gz LUMCYHBRNRUYCE-UHFFFAOYSA-N 0 0 352.777 5.168 50 5 FKBARN Cc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000000753269 568153318 /nfs/dbraw/zinc/15/33/18/568153318.db2.gz HDLLLWGFMBHIHL-UHFFFAOYSA-N 0 0 359.596 5.116 50 5 FKBARN c1ccc2c(c1)ccc1nc(-c3ccc4c(c3)OCO4)c3c(c12)CCCC3 ZINC000000754942 219318152 /nfs/dbraw/zinc/31/81/52/219318152.db2.gz AMKFUJCVEPYZFT-UHFFFAOYSA-N 0 0 353.421 5.663 50 5 FKBARN O=[N+]([O-])c1ccc2nc3c4ccccc4n(Cc4ccccc4)c3cc2c1 ZINC000000755067 219319266 /nfs/dbraw/zinc/31/92/66/219319266.db2.gz GPQPBBIOACRADS-UHFFFAOYSA-N 0 0 353.381 5.299 50 5 FKBARN Brc1ccccc1-c1nc2ccccc2c2nc3ccccc3n21 ZINC000000755177 219319301 /nfs/dbraw/zinc/31/93/01/219319301.db2.gz ACBQPKVTEAGDGW-UHFFFAOYSA-N 0 0 374.241 5.465 50 5 FKBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2)cs1 ZINC000000787446 219321410 /nfs/dbraw/zinc/32/14/10/219321410.db2.gz RPFIZFIDZMHTMJ-UHFFFAOYSA-N 0 0 355.418 5.737 50 5 FKBARN O=C(c1ccccc1[N+](=O)[O-])N(c1ccccc1)c1ccc2ccccc2c1 ZINC000000787717 568226426 /nfs/dbraw/zinc/22/64/26/568226426.db2.gz YHPULWNBBWBEBZ-UHFFFAOYSA-N 0 0 368.392 5.727 50 5 FKBARN O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000000787723 210270576 /nfs/dbraw/zinc/27/05/76/210270576.db2.gz RSJRAQIOROBESS-UHFFFAOYSA-N 0 0 368.392 5.727 50 5 FKBARN Cc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000000793743 210270491 /nfs/dbraw/zinc/27/04/91/210270491.db2.gz AIFDUKAOZPFNSK-UHFFFAOYSA-N 0 0 363.369 5.223 50 5 FKBARN O=[N+]([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000000797400 568244044 /nfs/dbraw/zinc/24/40/44/568244044.db2.gz ISMAHSHZUZLXDL-UHFFFAOYSA-N 0 0 369.380 5.511 50 5 FKBARN O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000799657 219322528 /nfs/dbraw/zinc/32/25/28/219322528.db2.gz VFAHEMRQCQSYPD-UHFFFAOYSA-N 0 0 352.777 5.168 50 5 FKBARN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000000826715 219327530 /nfs/dbraw/zinc/32/75/30/219327530.db2.gz NABGIIGYLCLPNZ-UHFFFAOYSA-N 0 0 369.424 5.936 50 5 FKBARN O=C1c2ccccc2-c2c1c(-c1cccnc1)nc1ccc3ccccc3c21 ZINC000000826926 570459201 /nfs/dbraw/zinc/45/92/01/570459201.db2.gz CMKRJYIQUHSGDQ-UHFFFAOYSA-N 0 0 358.400 5.661 50 5 FKBARN O=[N+]([O-])c1cc(Oc2cccnc2)cc(Sc2ccc(Cl)cc2)c1 ZINC000000828572 210277211 /nfs/dbraw/zinc/27/72/11/210277211.db2.gz YLQVIVHPTOODQQ-UHFFFAOYSA-N 0 0 358.806 5.587 50 5 FKBARN O=[N+]([O-])c1cccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)c1 ZINC000000828692 219327963 /nfs/dbraw/zinc/32/79/63/219327963.db2.gz XMLAKPRDMZAYJF-HSZRJFAPSA-N 0 0 356.425 6.242 50 5 FKBARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)c1 ZINC000000828693 206837852 /nfs/dbraw/zinc/83/78/52/206837852.db2.gz XMLAKPRDMZAYJF-QHCPKHFHSA-N 0 0 356.425 6.242 50 5 FKBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)cc1 ZINC000000828694 219327832 /nfs/dbraw/zinc/32/78/32/219327832.db2.gz GQYZDZISPRONPR-HSZRJFAPSA-N 0 0 356.425 6.242 50 5 FKBARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3)cc1 ZINC000000828695 219327659 /nfs/dbraw/zinc/32/76/59/219327659.db2.gz GQYZDZISPRONPR-QHCPKHFHSA-N 0 0 356.425 6.242 50 5 FKBARN COc1ccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)cc1OC ZINC000000828702 206133443 /nfs/dbraw/zinc/13/34/43/206133443.db2.gz IBOMWGOJQBIEKX-UHFFFAOYSA-N 0 0 369.464 5.951 50 5 FKBARN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 ZINC000000828807 568301353 /nfs/dbraw/zinc/30/13/53/568301353.db2.gz IOUSNJZRBZMWAB-UHFFFAOYSA-N 0 0 356.428 5.060 50 5 FKBARN O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000000831678 568317997 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O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000001708970 570643122 /nfs/dbraw/zinc/64/31/22/570643122.db2.gz LIIULZDLMHLVOS-UHFFFAOYSA-N 0 0 352.988 6.001 50 5 FKBARN O=[N+]([O-])c1ccc(C(Sc2ccccc2)Sc2ccccc2)cc1 ZINC000001712058 570546522 /nfs/dbraw/zinc/54/65/22/570546522.db2.gz VATMOCAQFBBCCY-UHFFFAOYSA-N 0 0 353.468 6.178 50 5 FKBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 ZINC000001714408 571166450 /nfs/dbraw/zinc/16/64/50/571166450.db2.gz XRQIISCOFYUANL-PHEQNACWSA-N 0 0 372.380 5.844 50 5 FKBARN c1ccc2c(c1)cc1ccccc1c2-c1c2ccccc2cc2ccccc21 ZINC000001730085 570505868 /nfs/dbraw/zinc/50/58/68/570505868.db2.gz SXGIRTCIFPJUEQ-UHFFFAOYSA-N 0 0 354.452 7.966 50 5 FKBARN C[C@H](c1ccccc1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001734604 204017744 /nfs/dbraw/zinc/01/77/44/204017744.db2.gz OSNVKWYSQZCZLN-IERDGZPVSA-N 0 0 361.397 5.297 50 5 FKBARN C[C@@H](c1ccccc1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001734605 571177009 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CCC1=C[C@](C)(CC)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc21 ZINC000001755549 132382386 /nfs/dbraw/zinc/38/23/86/132382386.db2.gz KIXMUZYREIHYRZ-QFIPXVFZSA-N 0 0 350.462 5.886 50 5 FKBARN C[C@@]1(Br)c2ccccc2N=C1Sc1ccccc1[N+](=O)[O-] ZINC000001763404 210369990 /nfs/dbraw/zinc/36/99/90/210369990.db2.gz BXTVQNYQYUTQAZ-OAHLLOKOSA-N 0 0 363.236 5.041 50 5 in-vitro FKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(C)c(C)c1 ZINC000001768284 219418081 /nfs/dbraw/zinc/41/80/81/219418081.db2.gz BQXVMNXSLRFLPV-UHFFFAOYSA-N 0 0 370.452 5.925 50 5 FKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccccc1CC ZINC000001768287 219418033 /nfs/dbraw/zinc/41/80/33/219418033.db2.gz MDHQMFPHQMYTQA-UHFFFAOYSA-N 0 0 370.452 5.871 50 5 FKBARN Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000001771345 571192438 /nfs/dbraw/zinc/19/24/38/571192438.db2.gz BHLLDPMICHHIRL-UHFFFAOYSA-N 0 0 367.788 5.443 50 5 FKBARN Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1C ZINC000001774771 204019131 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O=[N+]([O-])c1ccccc1Oc1cccc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000002028862 204023940 /nfs/dbraw/zinc/02/39/40/204023940.db2.gz YJDDJQRNSQDCLF-UHFFFAOYSA-N 0 0 352.302 5.088 50 5 FKBARN C[C@]1(Br)c2ccccc2N=C1Sc1ccccc1[N+](=O)[O-] ZINC000002033289 210376677 /nfs/dbraw/zinc/37/66/77/210376677.db2.gz BXTVQNYQYUTQAZ-HNNXBMFYSA-N 0 0 363.236 5.041 50 5 in-vitro FKBARN CC1=Cc2cc([N+](=O)[O-])ccc2S[C@@]12N(C)c1ccccc1C2(C)C ZINC000002048983 204025086 /nfs/dbraw/zinc/02/50/86/204025086.db2.gz YPWPNPINWOJFNS-FQEVSTJZSA-N 0 0 352.459 5.228 50 5 FKBARN CC1=Cc2cc([N+](=O)[O-])ccc2S[C@]12N(C)c1ccccc1C2(C)C ZINC000002048985 210376818 /nfs/dbraw/zinc/37/68/18/210376818.db2.gz YPWPNPINWOJFNS-HXUWFJFHSA-N 0 0 352.459 5.228 50 5 FKBARN CCOP(=O)(Cc1ccc2ccc3cccc4ccc1c2c34)OCC ZINC000002051149 206153040 /nfs/dbraw/zinc/15/30/40/206153040.db2.gz QYHNVRVUJPTWEP-UHFFFAOYSA-N 0 0 352.370 6.350 50 5 FKBARN Cc1ccc(-c2c3c(nc4c5ccccc5c(=O)c42)c2ccccc2c3=O)cc1 ZINC000002053422 219424116 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CN1c2ccc3ccccc3c2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000002069317 571224947 /nfs/dbraw/zinc/22/49/47/571224947.db2.gz VVBCJLKUVBAFOA-QHCPKHFHSA-N 0 0 372.424 5.278 50 5 FKBARN CN1c2ccc3ccccc3c2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000002069318 571224928 /nfs/dbraw/zinc/22/49/28/571224928.db2.gz VVBCJLKUVBAFOA-HSZRJFAPSA-N 0 0 372.424 5.278 50 5 FKBARN CC(C)(C)c1cc(Cl)c(OC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000002072744 219425005 /nfs/dbraw/zinc/42/50/05/219425005.db2.gz FKPCSZNKKQBWDV-UHFFFAOYSA-N 0 0 368.216 5.418 50 5 FKBARN O=[N+]([O-])c1ccccc1-c1nc2ccc3ccccc3c2c2c1CCCC2 ZINC000002072806 210379101 /nfs/dbraw/zinc/37/91/01/210379101.db2.gz KYAFLKZVHLLMOM-UHFFFAOYSA-N 0 0 354.409 5.842 50 5 FKBARN c1ccc(-c2c3ccccc3cc3c4ccccc4c4ccccc4c32)cc1 ZINC000002077477 219424816 /nfs/dbraw/zinc/42/48/16/219424816.db2.gz RYKYNJYYTPFERN-UHFFFAOYSA-N 0 0 354.452 7.966 50 5 FKBARN Cc1cc(C)cc(-c2c(-c3ccccc3)ccc3ccc4ccccc4c32)c1 ZINC000002077490 204025815 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Cc1cc(C)c(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)c(C)c1 ZINC000002117633 132253357 /nfs/dbraw/zinc/25/33/57/132253357.db2.gz WNWCTJIVAGKNHQ-UHFFFAOYSA-N 0 0 371.436 5.228 50 5 FKBARN Cc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c(C)c1 ZINC000002117890 132253408 /nfs/dbraw/zinc/25/34/08/132253408.db2.gz JPGDNLMDCYSQKV-UHFFFAOYSA-N 0 0 371.436 5.228 50 5 FKBARN COc1ccc(-c2coc3cc4oc(=O)c5cc(OC)ccc5c4cc32)cc1 ZINC000002121742 204026103 /nfs/dbraw/zinc/02/61/03/204026103.db2.gz IJEKXFHVLVHLRN-UHFFFAOYSA-N 0 0 372.376 5.377 50 5 FKBARN Cc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1C ZINC000002121838 132253445 /nfs/dbraw/zinc/25/34/45/132253445.db2.gz USFZOABEVFZDCU-UHFFFAOYSA-N 0 0 371.436 5.228 50 5 FKBARN Cc1cc(C)cc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c1 ZINC000002121848 132253465 /nfs/dbraw/zinc/25/34/65/132253465.db2.gz VMVJTRVBKAJZSS-UHFFFAOYSA-N 0 0 371.436 5.228 50 5 FKBARN Cc1ccc(C)c(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c1 ZINC000002123913 132253416 /nfs/dbraw/zinc/25/34/16/132253416.db2.gz 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FKBARN O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1NCc1ccccc1 ZINC000004280431 571103049 /nfs/dbraw/zinc/10/30/49/571103049.db2.gz PCJJUQQEZXOJQX-UHFFFAOYSA-N 0 0 366.031 5.821 50 5 FKBARN COc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)C[C@@H]2c1ccccc1 ZINC000004306819 219564032 /nfs/dbraw/zinc/56/40/32/219564032.db2.gz GRQQEBWLPFHWFS-QUCCMNQESA-N 0 0 360.413 5.292 50 5 FKBARN COc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C[C@@H]2c1ccccc1 ZINC000004306822 207012964 /nfs/dbraw/zinc/01/29/64/207012964.db2.gz GRQQEBWLPFHWFS-UYAOXDASSA-N 0 0 360.413 5.292 50 5 FKBARN COc1cc2c(c([N+](=O)[O-])c1)N[C@H](c1ccccc1)C[C@H]2c1ccccc1 ZINC000004306823 204131010 /nfs/dbraw/zinc/13/10/10/204131010.db2.gz GRQQEBWLPFHWFS-ICSRJNTNSA-N 0 0 360.413 5.292 50 5 FKBARN COc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1)C[C@H]2c1ccccc1 ZINC000004306827 571357720 /nfs/dbraw/zinc/35/77/20/571357720.db2.gz GRQQEBWLPFHWFS-AZUAARDMSA-N 0 0 360.413 5.292 50 5 FKBARN CC[C@@]1(c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000004307437 219564086 /nfs/dbraw/zinc/56/40/86/219564086.db2.gz XSUSIXFYAUGKFV-VXKWHMMOSA-N 0 0 360.413 5.389 50 5 FKBARN CC[C@]1(c2ccccc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000004307439 207012676 /nfs/dbraw/zinc/01/26/76/207012676.db2.gz XSUSIXFYAUGKFV-FCHUYYIVSA-N 0 0 360.413 5.389 50 5 FKBARN CC[C@@]1(c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000004307440 219563494 /nfs/dbraw/zinc/56/34/94/219563494.db2.gz XSUSIXFYAUGKFV-YADHBBJMSA-N 0 0 360.413 5.389 50 5 FKBARN CC[C@]1(c2ccccc2)O[C@H](c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000004307441 571357725 /nfs/dbraw/zinc/35/77/25/571357725.db2.gz XSUSIXFYAUGKFV-FGZHOGPDSA-N 0 0 360.413 5.389 50 5 FKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3cccc(F)c3)n2)c1 ZINC000004311803 571357890 /nfs/dbraw/zinc/35/78/90/571357890.db2.gz JQVIAOONVJMVQT-UHFFFAOYSA-N 0 0 360.348 5.088 50 5 FKBARN Cc1ccc(C)c(Nc2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])c1 ZINC000004321149 219565102 /nfs/dbraw/zinc/56/51/02/219565102.db2.gz 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ZINC000004420014 207020016 /nfs/dbraw/zinc/02/00/16/207020016.db2.gz PORMTABSJPRKLB-QHCPKHFHSA-N 0 0 372.424 5.278 50 5 FKBARN O=[N+]([O-])c1cccnc1Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000004457448 204140093 /nfs/dbraw/zinc/14/00/93/204140093.db2.gz YODYTADDKYGEGX-UHFFFAOYSA-N 0 0 374.425 5.198 50 5 FKBARN Cc1ccc(C2=N/C(=C\c3c4ccccc4cc4ccccc43)C(=O)O2)cc1 ZINC000004471453 570591529 /nfs/dbraw/zinc/59/15/29/570591529.db2.gz NJJSSSZOPBNLMK-HAHDFKILSA-N 0 0 363.416 5.646 50 5 FKBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000004481673 207021239 /nfs/dbraw/zinc/02/12/39/207021239.db2.gz GYGPNGJNTNJFHI-UHFFFAOYSA-N 0 0 366.804 5.019 50 5 FKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(C2CCCCC2)cc1 ZINC000004503117 207023570 /nfs/dbraw/zinc/02/35/70/207023570.db2.gz MGBUSBSAVVUIMY-NTEUORMPSA-N 0 0 351.402 5.261 50 5 FKBARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000004515017 207023366 /nfs/dbraw/zinc/02/33/66/207023366.db2.gz RJSPBBFUHHVPPQ-UHFFFAOYSA-N 0 0 374.755 5.208 50 5 FKBARN CC(C)c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)C)c1O ZINC000004532359 571044252 /nfs/dbraw/zinc/04/42/52/571044252.db2.gz XMQNYVLAUQPWCE-UHFFFAOYSA-N 0 0 359.382 5.199 50 5 FKBARN c1ccc2c(c1)c1c3ccccc3c2CSCc2cccc(c2)CSC1 ZINC000004532720 204144365 /nfs/dbraw/zinc/14/43/65/204144365.db2.gz AHYMIDNOTFUVQN-UHFFFAOYSA-N 0 0 372.558 7.173 50 5 FKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000004539312 207026562 /nfs/dbraw/zinc/02/65/62/207026562.db2.gz JNOYVULMCWUUIB-UHFFFAOYSA-N 0 0 353.381 5.386 50 5 FKBARN COc1ccc2c3cc4c(-c5ccc(C)cc5)coc4c(C)c3oc(=O)c2c1 ZINC000004540369 570820397 /nfs/dbraw/zinc/82/03/97/570820397.db2.gz JYFVEMLMSWTVKG-UHFFFAOYSA-N 0 0 370.404 5.985 50 5 FKBARN O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000004541831 570821766 /nfs/dbraw/zinc/82/17/66/570821766.db2.gz YVZNWKLONGANKB-UHFFFAOYSA-N 0 0 370.792 5.080 50 5 FKBARN CCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004542057 570821752 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Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000004542783 210103914 /nfs/dbraw/zinc/10/39/14/210103914.db2.gz YOQCKQIJWSNMMC-DHZHZOJOSA-N 0 0 362.385 5.124 50 5 FKBARN Cc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542785 210103878 /nfs/dbraw/zinc/10/38/78/210103878.db2.gz UPTBEANFCOOSIF-ZRDIBKRKSA-N 0 0 362.385 5.124 50 5 FKBARN O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccccc1[N+](=O)[O-] ZINC000004542952 570821580 /nfs/dbraw/zinc/82/15/80/570821580.db2.gz HZWFYVRXDFBMCZ-ZRDIBKRKSA-N 0 0 368.776 5.160 50 5 FKBARN CC(C)c1ccc(-c2cc(-c3ccccc3)c3c(ccc4ncccc43)n2)cc1 ZINC000004543855 570822592 /nfs/dbraw/zinc/82/25/92/570822592.db2.gz IPVLVHZTYHAJTL-UHFFFAOYSA-N 0 0 374.487 7.240 50 5 FKBARN O=[N+]([O-])/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Cc1ccccc1 ZINC000004545679 204145414 /nfs/dbraw/zinc/14/54/14/204145414.db2.gz GSXJCVOKMSSBAT-NTCAYCPXSA-N 0 0 374.223 6.114 50 5 FKBARN CC(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)C(C)C ZINC000004571223 207029451 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Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000004583101 207028911 /nfs/dbraw/zinc/02/89/11/207028911.db2.gz NWVZMQNNAUTQOJ-UHFFFAOYSA-N 0 0 359.470 5.403 50 5 FKBARN CC(C)(C)c1ccc(CC(C)(C)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004587752 570854720 /nfs/dbraw/zinc/85/47/20/570854720.db2.gz CUYKMZBMWZETKE-UHFFFAOYSA-N 0 0 369.461 5.318 50 5 FKBARN CCCCCCC1CCC(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000004592050 204149193 /nfs/dbraw/zinc/14/91/93/204149193.db2.gz XEWVNUKDJVGXGH-UHFFFAOYSA-N 0 0 357.454 5.889 50 5 FKBARN O=C(CCNc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000004599662 571098542 /nfs/dbraw/zinc/09/85/42/571098542.db2.gz KSBLUIKOMVDIRF-UHFFFAOYSA-N 0 0 360.369 5.179 50 5 FKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc21 ZINC000004611961 263335254 /nfs/dbraw/zinc/33/52/54/263335254.db2.gz CZZUTHBFQNIPSH-UHFFFAOYSA-N 0 0 369.380 5.062 50 5 FKBARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004614029 207032866 /nfs/dbraw/zinc/03/28/66/207032866.db2.gz GOSRMUFBUYPTJQ-IZZDOVSWSA-N 0 0 358.825 5.198 50 5 FKBARN C[C@@H]1CCCc2c(-c3ccc(Cl)cc3)nc3ccc4ccccc4c3c21 ZINC000004615519 571111533 /nfs/dbraw/zinc/11/15/33/571111533.db2.gz NJHWWOBVEAQMIH-OAHLLOKOSA-N 0 0 357.884 7.148 50 5 FKBARN C[C@H]1CCCc2c(-c3ccc(Cl)cc3)nc3ccc4ccccc4c3c21 ZINC000004615521 204151072 /nfs/dbraw/zinc/15/10/72/204151072.db2.gz NJHWWOBVEAQMIH-HNNXBMFYSA-N 0 0 357.884 7.148 50 5 FKBARN O=[N+]([O-])c1ccccc1-c1ccc(/C=C/c2ccc3cccc(O)c3n2)o1 ZINC000004619293 263334892 /nfs/dbraw/zinc/33/48/92/263334892.db2.gz QWKDHYHMDFZHOP-ZHACJKMWSA-N 0 0 358.353 5.279 50 5 FKBARN Cc1ccc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c([N+](=O)[O-])c1 ZINC000004622325 219591505 /nfs/dbraw/zinc/59/15/05/219591505.db2.gz RZQXPZJJMOWTBN-UHFFFAOYSA-N 0 0 356.466 5.947 50 5 FKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000004627710 207033927 /nfs/dbraw/zinc/03/39/27/207033927.db2.gz QEDPATSNVXQRMT-UHFFFAOYSA-N 0 0 352.777 5.168 50 5 FKBARN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004628573 204151706 /nfs/dbraw/zinc/15/17/06/204151706.db2.gz SYCUYJAMRPQEJJ-FNORWQNLSA-N 0 0 371.607 5.207 50 5 FKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccccc4)n3)o2)cc1 ZINC000004643086 204152172 /nfs/dbraw/zinc/15/21/72/204152172.db2.gz HTNBBJDKDCJXJL-UHFFFAOYSA-N 0 0 363.398 5.722 50 5 FKBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc([N+](=O)[O-])ccc1Cl ZINC000004644440 206179854 /nfs/dbraw/zinc/17/98/54/206179854.db2.gz YKPVRCYSTIZXBK-UHFFFAOYSA-N 0 0 364.788 5.072 50 5 FKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000004646351 571139939 /nfs/dbraw/zinc/13/99/39/571139939.db2.gz NBXVOPJWRRFWMK-UHFFFAOYSA-N 0 0 364.785 5.163 50 5 FKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1sc2cccc(Cl)c2c1Cl ZINC000004646378 204151826 /nfs/dbraw/zinc/15/18/26/204151826.db2.gz CZWOUHUDYMHOCP-UHFFFAOYSA-N 0 0 367.213 5.369 50 5 FKBARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004661897 571155838 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Nc1cc(N)c(/C=C\c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 ZINC000004701178 204157200 /nfs/dbraw/zinc/15/72/00/204157200.db2.gz DEBLDHNXANPLEN-HEEUSZRZSA-N 0 0 357.413 5.100 50 5 FKBARN O=[N+]([O-])c1ccc(N2CCCCCC2)cc1Sc1nc2ccccc2[nH]1 ZINC000004703747 571167007 /nfs/dbraw/zinc/16/70/07/571167007.db2.gz FWQNXDJMGFGPJN-UHFFFAOYSA-N 0 0 368.462 5.003 50 5 FKBARN Cc1ccc(-c2c(=O)c3ccccc3c3nc4ccccc4sc2-3)cc1 ZINC000004713505 571072510 /nfs/dbraw/zinc/07/25/10/571072510.db2.gz YNYQTXAEMJAKQO-UHFFFAOYSA-N 0 0 353.446 5.890 50 5 FKBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1cc(Cl)cc(Cl)c1O2 ZINC000004717804 207041554 /nfs/dbraw/zinc/04/15/54/207041554.db2.gz UPXHCBZYGVBGGN-UHFFFAOYSA-N 0 0 353.117 5.086 50 5 FKBARN O=[N+]([O-])c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004729063 219601368 /nfs/dbraw/zinc/60/13/68/219601368.db2.gz RMXQPFHEUVTMTB-RGPPVUSESA-N 0 0 369.424 5.616 50 5 FKBARN O=[N+]([O-])c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004729064 571168951 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O=[N+]([O-])c1cc2[nH]cc3c2c(c1)Oc1cc(OCc2ccccc2)ccc1C3 ZINC000004754150 571231657 /nfs/dbraw/zinc/23/16/57/571231657.db2.gz LKYLXDJLYMTRIF-UHFFFAOYSA-N 0 0 372.380 5.352 50 5 FKBARN O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3ccc4cccc(O)c4n3)o2)cc1 ZINC000004755451 204161275 /nfs/dbraw/zinc/16/12/75/204161275.db2.gz JLSPRPJWBBKEIW-DHZHZOJOSA-N 0 0 358.353 5.279 50 5 FKBARN CCCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1C ZINC000004758104 206181222 /nfs/dbraw/zinc/18/12/22/206181222.db2.gz QQUYBNOLDJOTOO-UHFFFAOYSA-N 0 0 361.829 5.021 50 5 FKBARN CCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000004759023 571231294 /nfs/dbraw/zinc/23/12/94/571231294.db2.gz AHZYNPCUJDGGPN-UHFFFAOYSA-N 0 0 361.829 5.021 50 5 FKBARN Cc1ccc(NC(=O)Nc2ccc(Nc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004759273 207046047 /nfs/dbraw/zinc/04/60/47/207046047.db2.gz JNDMJNGJKVWEEN-UHFFFAOYSA-N 0 0 362.389 5.291 50 5 FKBARN CC(C)(C)c1ccc(SC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004765508 571232401 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O=[N+]([O-])c1cc2ccc1CCCCCCC1CCC(CCCCCC2)CC1 ZINC000004788009 571235505 /nfs/dbraw/zinc/23/55/05/571235505.db2.gz AFWCXXVWTJIXRV-UHFFFAOYSA-N 0 0 371.565 7.401 50 5 FKBARN O=C(O[C@H]1CCCCCc2ccc(cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004790023 571235500 /nfs/dbraw/zinc/23/55/00/571235500.db2.gz DAAXYBUUCDBJFG-NRFANRHFSA-N 0 0 367.445 5.260 50 5 FKBARN O=C(O[C@@H]1CCCCCc2ccc(cc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004790025 571235341 /nfs/dbraw/zinc/23/53/41/571235341.db2.gz DAAXYBUUCDBJFG-OAQYLSRUSA-N 0 0 367.445 5.260 50 5 FKBARN O=C(OC1CCCCc2ccc(cc2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004790031 571235498 /nfs/dbraw/zinc/23/54/98/571235498.db2.gz UKFZVDJGUUXMSZ-UHFFFAOYSA-N 0 0 367.445 5.260 50 5 FKBARN Cc1cc(C)c(C(=O)OCc2c3ccccc3cc3ccccc32)c(C)c1 ZINC000004794333 206708004 /nfs/dbraw/zinc/70/80/04/206708004.db2.gz QCHMSYKZDLHURP-UHFFFAOYSA-N 0 0 354.449 6.275 50 5 FKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000004794684 204164449 /nfs/dbraw/zinc/16/44/49/204164449.db2.gz PEGVLSBJXAGLGF-UHFFFAOYSA-N 0 0 360.584 5.199 50 5 FKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cl)c1Cl ZINC000004794767 571236519 /nfs/dbraw/zinc/23/65/19/571236519.db2.gz KYZOVPCXLARYRY-UHFFFAOYSA-N 0 0 360.584 5.199 50 5 FKBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004801919 571237149 /nfs/dbraw/zinc/23/71/49/571237149.db2.gz CHEKFPKLDWZFLO-UHFFFAOYSA-N 0 0 366.804 5.476 50 5 FKBARN Cc1noc(/C=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1[N+](=O)[O-] ZINC000004809750 219608217 /nfs/dbraw/zinc/60/82/17/219608217.db2.gz OFSQCDCAIFXZSP-VURMDHGXSA-N 0 0 365.172 5.628 50 5 FKBARN CCC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C ZINC000004813902 570448049 /nfs/dbraw/zinc/44/80/49/570448049.db2.gz CKFPMPFOJPJFPW-UHFFFAOYSA-N 0 0 366.489 5.106 50 5 FKBARN Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2-c2ccccc2)cc1 ZINC000004816283 207051060 /nfs/dbraw/zinc/05/10/60/207051060.db2.gz MPNVQVKIQBQRIJ-UHFFFAOYSA-N 0 0 355.397 5.627 50 5 FKBARN Cc1noc(/C=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1[N+](=O)[O-] ZINC000004820957 219610378 /nfs/dbraw/zinc/61/03/78/219610378.db2.gz URWAGURGANUYRQ-VURMDHGXSA-N 0 0 364.279 5.340 50 5 FKBARN Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c3ccccc3c(=O)oc12 ZINC000004820968 204166389 /nfs/dbraw/zinc/16/63/89/204166389.db2.gz UJDGMIGHRFOFNM-UHFFFAOYSA-N 0 0 364.784 5.127 50 5 FKBARN Cc1noc(/C=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1[N+](=O)[O-] ZINC000004821163 570497049 /nfs/dbraw/zinc/49/70/49/570497049.db2.gz IITKRJXXYONNLZ-XBXARRHUSA-N 0 0 362.794 5.459 50 5 FKBARN Cc1ccc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1C ZINC000004825898 570512536 /nfs/dbraw/zinc/51/25/36/570512536.db2.gz WHTGSMKYIIKRFD-UHFFFAOYSA-N 0 0 350.374 5.032 50 5 FKBARN CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)c(Cl)c1 ZINC000004828865 570512571 /nfs/dbraw/zinc/51/25/71/570512571.db2.gz XYNPQLTYCQASGV-UHFFFAOYSA-N 0 0 368.220 5.268 50 5 FKBARN CCC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(C(C)(C)CC)c1 ZINC000004831667 210106312 /nfs/dbraw/zinc/10/63/12/210106312.db2.gz RYBNHZMEDOCTSX-UHFFFAOYSA-N 0 0 355.478 6.762 50 5 FKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2cccc(Cl)c2c1Cl ZINC000004832779 570522978 /nfs/dbraw/zinc/52/29/78/570522978.db2.gz RTJZQZNPXPYBPP-UHFFFAOYSA-N 0 0 367.213 5.369 50 5 FKBARN Cc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)cc1 ZINC000004834545 570525140 /nfs/dbraw/zinc/52/51/40/570525140.db2.gz JPXUIOIHUCVBMT-UHFFFAOYSA-N 0 0 356.385 5.257 50 5 FKBARN O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)N1CCCCCC1 ZINC000004838722 219612917 /nfs/dbraw/zinc/61/29/17/219612917.db2.gz TVGKXZWAZVLVTC-UHFFFAOYSA-N 0 0 374.824 5.057 50 5 FKBARN Cc1cc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cs1 ZINC000004843992 204169840 /nfs/dbraw/zinc/16/98/40/204169840.db2.gz WVQOTULKTOYPII-FQEVSTJZSA-N 0 0 363.442 5.320 50 5 FKBARN Cc1cc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccccc2)cs1 ZINC000004843993 570542329 /nfs/dbraw/zinc/54/23/29/570542329.db2.gz WVQOTULKTOYPII-HXUWFJFHSA-N 0 0 363.442 5.320 50 5 FKBARN CC(=O)N1c2cc(C)c([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C ZINC000004844054 570542689 /nfs/dbraw/zinc/54/26/89/570542689.db2.gz GSSOWLTYKZBCRE-UHFFFAOYSA-N 0 0 366.489 5.024 50 5 FKBARN Cc1ccc(-c2nnc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 ZINC000004844245 219612928 /nfs/dbraw/zinc/61/29/28/219612928.db2.gz QMGQIBOZUCNSRZ-UHFFFAOYSA-N 0 0 357.369 5.306 50 5 FKBARN Cc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000004844381 207054023 /nfs/dbraw/zinc/05/40/23/207054023.db2.gz PYOYIZIQSHFTJK-QFIPXVFZSA-N 0 0 357.413 5.259 50 5 FKBARN Cc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000004844382 207054469 /nfs/dbraw/zinc/05/44/69/207054469.db2.gz PYOYIZIQSHFTJK-JOCHJYFZSA-N 0 0 357.413 5.259 50 5 FKBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1sc2ccccc2c1Cl ZINC000004844689 570533597 /nfs/dbraw/zinc/53/35/97/570533597.db2.gz FFOBSGLHOLRWDV-UHFFFAOYSA-N 0 0 367.213 5.369 50 5 FKBARN CCCCOc1ccc(C(=O)Nc2cccc3c2cccc3[N+](=O)[O-])cc1 ZINC000004845047 207053852 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O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004863614 219616460 /nfs/dbraw/zinc/61/64/60/219616460.db2.gz LEWSCNXKTKAESR-UHFFFAOYSA-N 0 0 360.584 5.199 50 5 FKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccc(F)cc3)n2)c1 ZINC000004866953 207057060 /nfs/dbraw/zinc/05/70/60/207057060.db2.gz WWWHGSITHNANJH-UHFFFAOYSA-N 0 0 360.348 5.088 50 5 FKBARN Cc1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)cc1 ZINC000004871421 207056909 /nfs/dbraw/zinc/05/69/09/207056909.db2.gz ZIARZWGWFFATKL-UHFFFAOYSA-N 0 0 357.369 5.306 50 5 FKBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)c1 ZINC000004888031 570553900 /nfs/dbraw/zinc/55/39/00/570553900.db2.gz XHUAMPNSVHVNJY-NRFANRHFSA-N 0 0 361.376 5.090 50 5 FKBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)c1 ZINC000004888034 207058456 /nfs/dbraw/zinc/05/84/56/207058456.db2.gz XHUAMPNSVHVNJY-OAQYLSRUSA-N 0 0 361.376 5.090 50 5 FKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1Oc1ccccc1 ZINC000004892067 204173739 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O=[N+]([O-])c1ccc2sc(/C=C/c3cccc(Cl)c3Cl)nc2c1 ZINC000005935807 207123246 /nfs/dbraw/zinc/12/32/46/207123246.db2.gz CUACWQZNJQOUEP-QPJJXVBHSA-N 0 0 351.214 5.682 50 5 FKBARN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C12CC3CC(CC(C3)C1)C2 ZINC000005940327 204230681 /nfs/dbraw/zinc/23/06/81/204230681.db2.gz LJDZGYKFWNWKMV-JHMRYYBSSA-N 0 0 351.450 5.160 50 5 FKBARN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C12CC3CC(CC(C3)C1)C2 ZINC000005940330 207124007 /nfs/dbraw/zinc/12/40/07/207124007.db2.gz LJDZGYKFWNWKMV-BUBBNXEVSA-N 0 0 351.450 5.160 50 5 FKBARN O=[N+]([O-])c1ccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000005947482 204232483 /nfs/dbraw/zinc/23/24/83/204232483.db2.gz SPWIWFJMWIWBGB-UHFFFAOYSA-N 0 0 370.301 5.273 50 5 FKBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(Cl)cc1 ZINC000005948595 204231777 /nfs/dbraw/zinc/23/17/77/204231777.db2.gz GCRWWGWHPPFKBJ-UHFFFAOYSA-N 0 0 365.841 5.320 50 5 FKBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cccc(Cl)c1 ZINC000005948596 571169067 /nfs/dbraw/zinc/16/90/67/571169067.db2.gz HTTHSLYLWQHPLJ-UHFFFAOYSA-N 0 0 365.841 5.320 50 5 FKBARN CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000005997087 204233458 /nfs/dbraw/zinc/23/34/58/204233458.db2.gz SLVLDOZRZRVRIA-FPLPWBNLSA-N 0 0 368.216 5.219 50 5 FKBARN c1ccc(-c2nn(-c3ccccc3)c3ncc4[nH]c5ccccc5c4c23)cc1 ZINC000005999702 210651613 /nfs/dbraw/zinc/65/16/13/210651613.db2.gz SHQXAZCWZDKHMQ-UHFFFAOYSA-N 0 0 360.420 5.722 50 5 FKBARN CCCCCCN(CCCCCC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006042105 571110448 /nfs/dbraw/zinc/11/04/48/571110448.db2.gz PLSUAYZSGCSXRB-UHFFFAOYSA-N 0 0 368.905 5.851 50 5 FKBARN Cc1cc(Nc2cccc(C(F)(F)F)c2)c2ccc3ccccc3c2n1 ZINC000006235773 207134387 /nfs/dbraw/zinc/13/43/87/207134387.db2.gz UQQALKVAJPGLRV-UHFFFAOYSA-N 0 0 352.359 6.459 50 5 FKBARN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006242614 571167869 /nfs/dbraw/zinc/16/78/69/571167869.db2.gz LGHKULJJQNERFI-UHFFFAOYSA-N 0 0 353.761 5.134 50 5 FKBARN O=C(CCC1CCCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000006333571 571181729 /nfs/dbraw/zinc/18/17/29/571181729.db2.gz AVWJCQBINOUSEC-UHFFFAOYSA-N 0 0 359.451 5.017 50 5 FKBARN O=[N+]([O-])c1ccc2nc3c(c(-c4ccccc4)c2c1)COc1ccccc1-3 ZINC000006346528 207137291 /nfs/dbraw/zinc/13/72/91/207137291.db2.gz IANYEXIVCULFNN-UHFFFAOYSA-N 0 0 354.365 5.369 50 5 FKBARN CC(C)c1cccc(C(C)C)c1NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000006347679 204245420 /nfs/dbraw/zinc/24/54/20/204245420.db2.gz SSEQXKABEATDSF-UHFFFAOYSA-N 0 0 357.479 5.651 50 5 FKBARN Cc1c(-c2ccc(O)cc2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 ZINC000006367464 209450792 /nfs/dbraw/zinc/45/07/92/209450792.db2.gz MUVYTQHLCJSTSC-UHFFFAOYSA-N 0 0 356.381 5.491 50 5 FKBARN CC(C)CCOc1ccc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)cc1 ZINC000006375259 210670228 /nfs/dbraw/zinc/67/02/28/210670228.db2.gz UZCJSLFMHRDJNO-RMKNXTFCSA-N 0 0 362.429 5.738 50 5 FKBARN O=C(CSc1cccc2cccc(Cl)c21)Nc1cccc([N+](=O)[O-])c1 ZINC000006405957 571184507 /nfs/dbraw/zinc/18/45/07/571184507.db2.gz KLEQHHCQHIWJKG-UHFFFAOYSA-N 0 0 372.833 5.132 50 5 FKBARN O=[N+]([O-])c1ccc(-c2csc(Nc3c(Cl)cccc3Cl)n2)cc1 ZINC000006414024 204248044 /nfs/dbraw/zinc/24/80/44/204248044.db2.gz AOCLKIVPDLQCOF-UHFFFAOYSA-N 0 0 366.229 5.769 50 5 in-vitro FKBARN Cc1c(OCc2cccc3ccccc32)ccc2c3ccccc3c(=O)oc12 ZINC000006418070 570647085 /nfs/dbraw/zinc/64/70/85/570647085.db2.gz LCFKDNBHANXDMZ-UHFFFAOYSA-N 0 0 366.416 5.987 50 5 FKBARN O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000006471901 207141995 /nfs/dbraw/zinc/14/19/95/207141995.db2.gz RFFRZBLBJYJAKB-FPYGCLRLSA-N 0 0 350.321 5.394 50 5 FKBARN O=[N+]([O-])c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)ccc21 ZINC000006509709 204250597 /nfs/dbraw/zinc/25/05/97/204250597.db2.gz FXRBLNNXMQZZQH-FNORWQNLSA-N 0 0 366.245 5.009 50 5 FKBARN Cc1ccc(-c2nnc(Oc3ccc(C)nc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000006510456 207143138 /nfs/dbraw/zinc/14/31/38/207143138.db2.gz VJZCOEGXDZFFAK-UHFFFAOYSA-N 0 0 372.384 5.009 50 5 FKBARN O=[N+]([O-])c1ccc(/C=C/c2cc(-c3ccco3)n(-c3ccccc3)n2)cc1 ZINC000006535755 571208265 /nfs/dbraw/zinc/20/82/65/571208265.db2.gz CFQHZEGMSPKMSR-DHZHZOJOSA-N 0 0 357.369 5.211 50 5 FKBARN O=[N+]([O-])c1ccc(-c2[nH]c3ccccc3c2-c2nc3ccccc3[nH]2)cc1 ZINC000006538242 206203786 /nfs/dbraw/zinc/20/37/86/206203786.db2.gz KQDUQHSVUHOFOE-UHFFFAOYSA-N 0 0 354.369 5.286 50 5 FKBARN COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)c([N+](=O)[O-])cc1OC ZINC000006546622 204252971 /nfs/dbraw/zinc/25/29/71/204252971.db2.gz AYHFYPWUHQYBEN-AATRIKPKSA-N 0 0 370.430 5.009 50 5 FKBARN Cc1c(Cl)c(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000006549953 204253846 /nfs/dbraw/zinc/25/38/46/204253846.db2.gz RDJUONOMWMAHQI-UHFFFAOYSA-N 0 0 366.156 5.109 50 5 FKBARN Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000006550120 571208871 /nfs/dbraw/zinc/20/88/71/571208871.db2.gz AQGBQEGPXYOSRF-UHFFFAOYSA-N 0 0 369.368 5.039 50 5 FKBARN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006585738 207147087 /nfs/dbraw/zinc/14/70/87/207147087.db2.gz HARXCGVDJJPEIC-VIFPVBQESA-N 0 0 371.245 5.021 50 5 FKBARN Cl/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2c2ccccc21 ZINC000006585791 206802282 /nfs/dbraw/zinc/80/22/82/206802282.db2.gz MRNUACITYVIGSI-CPNJWEJPSA-N 0 0 350.248 6.778 50 5 FKBARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006587095 210680251 /nfs/dbraw/zinc/68/02/51/210680251.db2.gz HARXCGVDJJPEIC-SECBINFHSA-N 0 0 371.245 5.021 50 5 FKBARN O=C(Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006589052 206243581 /nfs/dbraw/zinc/24/35/81/206243581.db2.gz AQRABPDJBCCIHI-UHFFFAOYSA-N 0 0 352.777 5.168 50 5 FKBARN O=[N+]([O-])c1cccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)c1 ZINC000006616308 207149586 /nfs/dbraw/zinc/14/95/86/207149586.db2.gz UMZQQSDAJQIIBO-LJQANCHMSA-N 0 0 366.467 6.014 50 5 FKBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)c1 ZINC000006616312 207149484 /nfs/dbraw/zinc/14/94/84/207149484.db2.gz UMZQQSDAJQIIBO-IBGZPJMESA-N 0 0 366.467 6.014 50 5 FKBARN CCCCc1ccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006650809 571239352 /nfs/dbraw/zinc/23/93/52/571239352.db2.gz ZTNVXJBKPDRZIY-CQSZACIVSA-N 0 0 358.463 5.057 50 5 FKBARN CCCCc1ccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006650814 571239310 /nfs/dbraw/zinc/23/93/10/571239310.db2.gz ZTNVXJBKPDRZIY-AWEZNQCLSA-N 0 0 358.463 5.057 50 5 FKBARN O=C(c1ccccc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000006784318 204270542 /nfs/dbraw/zinc/27/05/42/204270542.db2.gz PKXQPXSVCWQLOC-UHFFFAOYSA-N 0 0 352.434 5.351 50 5 FKBARN O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000006784972 207165233 /nfs/dbraw/zinc/16/52/33/207165233.db2.gz KSFLCNUNAFNBPH-QHHAFSJGSA-N 0 0 351.214 5.682 50 5 FKBARN Cc1nn(-c2ccccc2)c(C)c1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000006786517 210701601 /nfs/dbraw/zinc/70/16/01/210701601.db2.gz NMQRTUFLLHPQHL-BUHFOSPRSA-N 0 0 370.412 5.116 50 5 FKBARN CN(Cc1ccccc1Cl)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000006786569 204270432 /nfs/dbraw/zinc/27/04/32/204270432.db2.gz STUBSVKTUIOODQ-UHFFFAOYSA-N 0 0 363.844 5.232 50 5 FKBARN Cc1ccc2c(Cl)cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c2n1 ZINC000006814717 571247911 /nfs/dbraw/zinc/24/79/11/571247911.db2.gz SMLNDIUZVKKWIE-UHFFFAOYSA-N 0 0 363.200 5.337 50 5 FKBARN Clc1cccc(Cl)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000006816662 204274138 /nfs/dbraw/zinc/27/41/38/204274138.db2.gz RLQQEYJGPOEJLP-UHFFFAOYSA-N 0 0 365.223 5.633 50 5 FKBARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000006832509 207171365 /nfs/dbraw/zinc/17/13/65/207171365.db2.gz YBSHGLXJZULXEV-LLVKDONJSA-N 0 0 371.418 5.077 50 5 FKBARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000006832519 571249515 /nfs/dbraw/zinc/24/95/15/571249515.db2.gz YBSHGLXJZULXEV-NSHDSACASA-N 0 0 371.418 5.077 50 5 FKBARN O=C(c1ccccc1)c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000006866894 263347908 /nfs/dbraw/zinc/34/79/08/263347908.db2.gz MTGOYEZGFKKASL-HXUWFJFHSA-N 0 0 372.424 5.315 50 5 FKBARN O=C(c1ccccc1)c1ccc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000006866896 207173292 /nfs/dbraw/zinc/17/32/92/207173292.db2.gz MTGOYEZGFKKASL-FQEVSTJZSA-N 0 0 372.424 5.315 50 5 FKBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000006868028 263347939 /nfs/dbraw/zinc/34/79/39/263347939.db2.gz XQOIXSDQDGHNSV-UHFFFAOYSA-N 0 0 374.783 5.317 50 5 FKBARN CC(C)(C)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(C(C)(C)C)c1 ZINC000006882995 204279068 /nfs/dbraw/zinc/27/90/68/204279068.db2.gz CINWEJXQVFSFEM-UHFFFAOYSA-N 0 0 355.434 5.409 50 5 FKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)c1ccc(Cl)cc1 ZINC000006890590 571253424 /nfs/dbraw/zinc/25/34/24/571253424.db2.gz PFLUABMAOWUZRZ-UHFFFAOYSA-N 0 0 374.823 5.686 50 5 FKBARN O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)ccc1Cl ZINC000006943151 207179369 /nfs/dbraw/zinc/17/93/69/207179369.db2.gz APJKTTJWKZAOLM-KRXBUXKQSA-N 0 0 360.797 5.681 50 5 FKBARN CCc1ccc2c(c1)c1nc3ccccc3nc1n2CCc1ccccc1 ZINC000006944248 571255419 /nfs/dbraw/zinc/25/54/19/571255419.db2.gz HRZDZCVEFQPYSX-UHFFFAOYSA-N 0 0 351.453 5.543 50 5 FKBARN CC(C)(C)[C@@H]1CCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2C1 ZINC000006950486 207181603 /nfs/dbraw/zinc/18/16/03/207181603.db2.gz PODCKZAYPHZTGE-MRXNPFEDSA-N 0 0 360.457 5.961 50 5 FKBARN CC(C)(C)[C@H]1CCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2C1 ZINC000006950504 571255709 /nfs/dbraw/zinc/25/57/09/571255709.db2.gz PODCKZAYPHZTGE-INIZCTEOSA-N 0 0 360.457 5.961 50 5 FKBARN Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 ZINC000006965628 210722242 /nfs/dbraw/zinc/72/22/42/210722242.db2.gz XSYAZFWHZOJLSV-UHFFFAOYSA-N 0 0 356.234 5.019 50 5 FKBARN Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000006965634 219785186 /nfs/dbraw/zinc/78/51/86/219785186.db2.gz SFICITAWKATJIJ-UHFFFAOYSA-N 0 0 356.234 5.019 50 5 FKBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000006966900 207181767 /nfs/dbraw/zinc/18/17/67/207181767.db2.gz YDZZJSSHHJGFTC-UHFFFAOYSA-N 0 0 356.234 5.019 50 5 FKBARN Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006966955 204285214 /nfs/dbraw/zinc/28/52/14/204285214.db2.gz YLDHZIFIPXWJPG-UHFFFAOYSA-N 0 0 356.234 5.019 50 5 FKBARN Clc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Cl ZINC000006996025 570658480 /nfs/dbraw/zinc/65/84/80/570658480.db2.gz KURVDKRVRANTMT-UHFFFAOYSA-N 0 0 365.223 5.633 50 5 FKBARN C(=C/c1cc(-c2cccs2)nc2ccc3ccccc3c12)\c1cccs1 ZINC000006998976 571256600 /nfs/dbraw/zinc/25/66/00/571256600.db2.gz CEWJNKDQNBHMJS-PKNBQFBNSA-N 0 0 369.514 7.348 50 5 FKBARN CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000007029890 204287004 /nfs/dbraw/zinc/28/70/04/204287004.db2.gz ZAXVQBGUCXEVDX-HSZRJFAPSA-N 0 0 372.424 5.278 50 5 FKBARN CN1c2ccc([N+](=O)[O-])cc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000007029896 207184681 /nfs/dbraw/zinc/18/46/81/207184681.db2.gz ZAXVQBGUCXEVDX-QHCPKHFHSA-N 0 0 372.424 5.278 50 5 FKBARN C[C@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007062744 204288286 /nfs/dbraw/zinc/28/82/86/204288286.db2.gz SXELEJAWLVOUGH-JTQLQIEISA-N 0 0 361.810 5.152 50 5 FKBARN C[C@@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007062749 207185829 /nfs/dbraw/zinc/18/58/29/207185829.db2.gz SXELEJAWLVOUGH-SNVBAGLBSA-N 0 0 361.810 5.152 50 5 FKBARN Clc1nc2cc3c(ccc4ccccc43)cc2c2c3ccccc3sc21 ZINC000007078549 207187167 /nfs/dbraw/zinc/18/71/67/207187167.db2.gz XWVKRNFJEVUMQH-UHFFFAOYSA-N 0 0 369.876 7.563 50 5 FKBARN O=[N+]([O-])c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)sc2c1 ZINC000007141237 204290773 /nfs/dbraw/zinc/29/07/73/204290773.db2.gz WTPAXUIOXNCDCL-VMPITWQZSA-N 0 0 350.321 5.394 50 5 FKBARN Cc1ccc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000007147793 204290224 /nfs/dbraw/zinc/29/02/24/204290224.db2.gz PQDKXNNMJFUOEK-ZDUSSCGKSA-N 0 0 355.419 5.115 50 5 FKBARN Cc1ccc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000007147794 571262455 /nfs/dbraw/zinc/26/24/55/571262455.db2.gz PQDKXNNMJFUOEK-CYBMUJFWSA-N 0 0 355.419 5.115 50 5 FKBARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000007285284 207192078 /nfs/dbraw/zinc/19/20/78/207192078.db2.gz WEDZALJJWFWHHF-UHFFFAOYSA-N 0 0 364.788 5.072 50 5 FKBARN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2Br)cc1 ZINC000007653663 571285346 /nfs/dbraw/zinc/28/53/46/571285346.db2.gz BTGVYYMMXMVYOH-UHFFFAOYSA-N 0 0 358.191 5.090 50 5 FKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1ccccc1 ZINC000007684639 204303033 /nfs/dbraw/zinc/30/30/33/204303033.db2.gz VCLHPFKUNBTYOA-UHFFFAOYSA-N 0 0 364.426 5.139 50 5 FKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1SCc1ccccc1 ZINC000007684641 204302533 /nfs/dbraw/zinc/30/25/33/204302533.db2.gz FESAFGWLPZOAJZ-UHFFFAOYSA-N 0 0 364.426 5.139 50 5 FKBARN Oc1ccc2c(c1)oc1c2nc2sc3c(c2c1-c1ccccc1)CCCC3 ZINC000007778772 204306960 /nfs/dbraw/zinc/30/69/60/204306960.db2.gz JGTVQSIUUZULIM-UHFFFAOYSA-N 0 0 371.461 6.447 50 5 FKBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1 ZINC000007813369 571289773 /nfs/dbraw/zinc/28/97/73/571289773.db2.gz BAVDSKMMFYGLAA-UHFFFAOYSA-N 0 0 356.765 5.069 50 5 FKBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cc(C)ccc1C ZINC000007813370 204307721 /nfs/dbraw/zinc/30/77/21/204307721.db2.gz CFZMDDMSAGHLPB-UHFFFAOYSA-N 0 0 350.374 5.032 50 5 FKBARN COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000007848030 207210436 /nfs/dbraw/zinc/21/04/36/207210436.db2.gz MKTGMJHRKSOICF-UHFFFAOYSA-N 0 0 356.381 5.486 50 5 FKBARN COc1cccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000007848031 571290364 /nfs/dbraw/zinc/29/03/64/571290364.db2.gz BONPRVKSTCCQCK-UHFFFAOYSA-N 0 0 356.381 5.486 50 5 FKBARN O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007961390 204311154 /nfs/dbraw/zinc/31/11/54/204311154.db2.gz UEUYKCJWOFIMLH-UHFFFAOYSA-N 0 0 364.788 5.072 50 5 FKBARN c1[nH]c2ccccc2c1CCc1nc2ccccc2c2nc3ccccc3n21 ZINC000007986562 571358184 /nfs/dbraw/zinc/35/81/84/571358184.db2.gz AZVBPEVWGRQUNW-UHFFFAOYSA-N 0 0 362.436 5.302 50 5 FKBARN Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1 ZINC000008078162 204318003 /nfs/dbraw/zinc/31/80/03/204318003.db2.gz STTGYIUESPWXOW-UHFFFAOYSA-N 0 0 360.460 6.734 50 5 FKBARN Cc1cccc(OCc2nc3ccccc3c3nc4ccccc4n32)c1C ZINC000008135240 206212589 /nfs/dbraw/zinc/21/25/89/206212589.db2.gz QCLLCYITLTWHLL-UHFFFAOYSA-N 0 0 353.425 5.232 50 5 FKBARN O=[N+]([O-])c1ccc(F)cc1Oc1ncnc2sc(-c3ccccc3)cc21 ZINC000008178356 571359674 /nfs/dbraw/zinc/35/96/74/571359674.db2.gz FHTSCRBSVUUUQZ-UHFFFAOYSA-N 0 0 367.361 5.198 50 5 FKBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Nc1ccc(F)c(Cl)c1 ZINC000008232186 206213046 /nfs/dbraw/zinc/21/30/46/206213046.db2.gz XSDBYROTVZONNB-UHFFFAOYSA-N 0 0 369.101 5.803 50 5 FKBARN CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000008272034 219856789 /nfs/dbraw/zinc/85/67/89/219856789.db2.gz LVSNUXRYJAPTGM-UHFFFAOYSA-N 0 0 359.765 5.099 50 5 FKBARN C(=C\c1ccc2ccc3ccccc3c2c1)\c1ccc(-c2ccccc2)cc1 ZINC000008383941 570681184 /nfs/dbraw/zinc/68/11/84/570681184.db2.gz XJLVTGXMIZOVKX-KHPPLWFESA-N 0 0 356.468 7.830 50 5 FKBARN O=c1c2ccccc2oc2cc(OCc3ccc(Cl)cc3F)cc(O)c12 ZINC000008519996 207236316 /nfs/dbraw/zinc/23/63/16/207236316.db2.gz YNOPPBXJJKBXMN-UHFFFAOYSA-N 0 0 370.763 5.023 50 5 FKBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NC1CCCCC1 ZINC000008586992 263356717 /nfs/dbraw/zinc/35/67/17/263356717.db2.gz JMEBQLFOLQNOKO-UHFFFAOYSA-N 0 0 364.405 5.056 50 5 FKBARN Cc1nn(-c2nc3ccccc3c3ccccc32)c2c1C(=O)CC(C)(C)C2 ZINC000008664900 571054144 /nfs/dbraw/zinc/05/41/44/571054144.db2.gz PLCIACJBVJMVGV-UHFFFAOYSA-N 0 0 355.441 5.037 50 5 FKBARN Cc1cccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)c1C ZINC000009109494 207257392 /nfs/dbraw/zinc/25/73/92/207257392.db2.gz GPEUAUDOXPXHBD-UHFFFAOYSA-N 0 0 370.412 5.565 50 5 FKBARN Cc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 ZINC000009109938 571321018 /nfs/dbraw/zinc/32/10/18/571321018.db2.gz NWHQEECADKFFEB-UHFFFAOYSA-N 0 0 356.385 5.257 50 5 FKBARN CCCCCCn1cc(/C=C/c2onc(C)c2[N+](=O)[O-])c2ccccc21 ZINC000009235641 210823840 /nfs/dbraw/zinc/82/38/40/210823840.db2.gz DAXUBJSLUXFAPP-VAWYXSNFSA-N 0 0 353.422 5.597 50 5 FKBARN Cc1noc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000009235685 571321074 /nfs/dbraw/zinc/32/10/74/571321074.db2.gz GYSKWNCGGILUSO-CMDGGOBGSA-N 0 0 358.438 5.362 50 5 FKBARN COc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000009239124 570693127 /nfs/dbraw/zinc/69/31/27/570693127.db2.gz NQIJKZQYPNHYHO-UHFFFAOYSA-N 0 0 361.444 6.731 50 5 FKBARN Cc1ccc(-c2cc(-c3ccc(O)cc3)nc3ccc4ccccc4c32)cc1 ZINC000009239135 219876599 /nfs/dbraw/zinc/87/65/99/219876599.db2.gz OXEAPCZWXACCQK-UHFFFAOYSA-N 0 0 361.444 6.736 50 5 FKBARN CC(C)Cc1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccc3ccccc3c12 ZINC000009239161 204359635 /nfs/dbraw/zinc/35/96/35/204359635.db2.gz WSDLVXHLCPCODX-UHFFFAOYSA-N 0 0 356.425 6.162 50 5 FKBARN Cc1c(-c2ccccc2)sc2ncnc(Oc3ccccc3[N+](=O)[O-])c12 ZINC000009497878 207273547 /nfs/dbraw/zinc/27/35/47/207273547.db2.gz NYKVETGKEKXWLR-UHFFFAOYSA-N 0 0 363.398 5.367 50 5 FKBARN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000009668245 207281577 /nfs/dbraw/zinc/28/15/77/207281577.db2.gz HWOVPLGFVVYHBL-UHFFFAOYSA-N 0 0 356.765 5.069 50 5 FKBARN O=c1c2ccccc2oc2cc(OCc3ccc(F)cc3Cl)cc(O)c12 ZINC000011865617 207325078 /nfs/dbraw/zinc/32/50/78/207325078.db2.gz QFTBLPQJXRYREL-UHFFFAOYSA-N 0 0 370.763 5.023 50 5 FKBARN O=C(CSc1nc2ccccc2c2ccccc21)Nc1ccc(F)cc1 ZINC000012139480 570721552 /nfs/dbraw/zinc/72/15/52/570721552.db2.gz KQFKSWKURMWRST-UHFFFAOYSA-N 0 0 362.429 5.258 50 5 FKBARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012274725 210936159 /nfs/dbraw/zinc/93/61/59/210936159.db2.gz BWYKSWWMTNLNBA-UHFFFAOYSA-N 0 0 356.765 5.069 50 5 FKBARN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000012274740 207352337 /nfs/dbraw/zinc/35/23/37/207352337.db2.gz JKFFDCNRKINMLK-UHFFFAOYSA-N 0 0 370.792 5.377 50 5 FKBARN O=[N+]([O-])c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1 ZINC000012376182 570740590 /nfs/dbraw/zinc/74/05/90/570740590.db2.gz JFLJVMDQEKKXKN-OYRHEFFESA-N 0 0 370.452 5.472 50 5 FKBARN CC(C)c1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1[N+](=O)[O-] ZINC000012522193 207385450 /nfs/dbraw/zinc/38/54/50/207385450.db2.gz WUHTXPBXEQDOJR-RMKNXTFCSA-N 0 0 363.373 5.345 50 5 FKBARN O=[N+]([O-])c1ccc(-c2cs/c(=N/c3ccccc3)n2-c2ccccc2)cc1 ZINC000012523956 571174293 /nfs/dbraw/zinc/17/42/93/571174293.db2.gz BFDVPZJLBQDGJW-QURGRASLSA-N 0 0 373.437 5.346 50 5 FKBARN COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)c(F)c1 ZINC000012548930 571178923 /nfs/dbraw/zinc/17/89/23/571178923.db2.gz BDLUQLMMMYRZMX-UHFFFAOYSA-N 0 0 374.371 5.625 50 5 FKBARN CC(=O)Nc1ccc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)cc1 ZINC000012550954 571179525 /nfs/dbraw/zinc/17/95/25/571179525.db2.gz YRLUGQRRHKJMCP-UHFFFAOYSA-N 0 0 351.409 5.495 50 5 FKBARN O=[N+]([O-])c1ccccc1/C=C/[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012556063 220007309 /nfs/dbraw/zinc/00/73/09/220007309.db2.gz DLQGISXKTQZHIR-QZMUEMGWSA-N 0 0 368.396 5.249 50 5 FKBARN c1ccc(-c2nc3c(c4ccccc4c4ccccc34)n2-c2ccccc2)cc1 ZINC000012561362 207394733 /nfs/dbraw/zinc/39/47/33/207394733.db2.gz NRNMJBKBDMSYLI-UHFFFAOYSA-N 0 0 370.455 6.999 50 5 FKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000012606520 571190623 /nfs/dbraw/zinc/19/06/23/571190623.db2.gz WZELFJZLFUVTSW-SFHVURJKSA-N 0 0 373.334 5.210 50 5 FKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@H](c1ccccc1)c1ccccn1 ZINC000012606523 571190771 /nfs/dbraw/zinc/19/07/71/571190771.db2.gz WZELFJZLFUVTSW-GOSISDBHSA-N 0 0 373.334 5.210 50 5 FKBARN O=[N+]([O-])c1ccc2sc(/C=C/c3ccc(-c4ccccc4F)o3)nc2c1 ZINC000012682310 206295616 /nfs/dbraw/zinc/29/56/16/206295616.db2.gz AMESOVJLXIEDJJ-JXMROGBWSA-N 0 0 366.373 5.774 50 5 FKBARN Cc1ccc(-c2ccc(C(=O)Nc3c(C)cccc3C)o2)c([N+](=O)[O-])c1 ZINC000012855892 220036141 /nfs/dbraw/zinc/03/61/41/220036141.db2.gz KAGNDTUTHVJBBY-UHFFFAOYSA-N 0 0 350.374 5.032 50 5 FKBARN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012858728 571322819 /nfs/dbraw/zinc/32/28/19/571322819.db2.gz AVNGKTQDEZPAMS-STRFDMGBSA-N 0 0 358.825 5.414 50 5 FKBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccccc2Cl)no1 ZINC000012879902 204503956 /nfs/dbraw/zinc/50/39/56/204503956.db2.gz VCFXTBMUOVJLTA-UHFFFAOYSA-N 0 0 374.783 5.317 50 5 FKBARN Cc1c(NC(=O)c2ccc(CSc3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000012896388 206296949 /nfs/dbraw/zinc/29/69/49/206296949.db2.gz PYHWFVUOLJHELU-UHFFFAOYSA-N 0 0 368.414 5.041 50 5 FKBARN O=[N+]([O-])c1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1 ZINC000012960349 211011751 /nfs/dbraw/zinc/01/17/51/211011751.db2.gz VWFHANPPPSJOBJ-UHFFFAOYSA-N 0 0 358.357 5.074 50 5 FKBARN CCCCOc1ccc(/C=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012970680 220047607 /nfs/dbraw/zinc/04/76/07/220047607.db2.gz LBXDBIRRLYUIEX-QJOMJCCJSA-N 0 0 374.440 5.758 50 5 FKBARN CN1c2ccccc2C(C)(C)/C1=C/[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000013040945 571192464 /nfs/dbraw/zinc/19/24/64/571192464.db2.gz BOWPXTOSMCABJA-CCRNYGKSSA-N 0 0 356.853 5.012 50 5 FKBARN CN1c2ccccc2C(C)(C)/C1=C/[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000013040946 206300332 /nfs/dbraw/zinc/30/03/32/206300332.db2.gz BOWPXTOSMCABJA-VUFYJBQKSA-N 0 0 356.853 5.012 50 5 FKBARN Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000013060082 220056560 /nfs/dbraw/zinc/05/65/60/220056560.db2.gz VUBRMXZSLXJVJX-QFIPXVFZSA-N 0 0 372.428 5.289 50 5 FKBARN Cc1[nH]c2ccccc2c1[C@H](Nc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000013060085 211022186 /nfs/dbraw/zinc/02/21/86/211022186.db2.gz VUBRMXZSLXJVJX-JOCHJYFZSA-N 0 0 372.428 5.289 50 5 FKBARN Cc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000013125663 204523539 /nfs/dbraw/zinc/52/35/39/204523539.db2.gz JXUNAVXZWSLLPW-UHFFFAOYSA-N 0 0 371.396 5.254 50 5 FKBARN COc1cc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc(OC)c1O ZINC000013130573 211024301 /nfs/dbraw/zinc/02/43/01/211024301.db2.gz SIGMGVJSEXFFQU-UHFFFAOYSA-N 0 0 371.436 5.267 50 5 FKBARN O=[N+]([O-])c1ccc2sc(/C=C/c3ccccc3C(F)(F)F)nc2c1 ZINC000013137652 211026347 /nfs/dbraw/zinc/02/63/47/211026347.db2.gz KKUIPDQDBHILGK-VMPITWQZSA-N 0 0 350.321 5.394 50 5 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CC(C)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000044085347 206063883 /nfs/dbraw/zinc/06/38/83/206063883.db2.gz KKBYFYQWNUAMJQ-UHFFFAOYSA-N 0 0 353.447 5.196 50 5 FKBARN O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccccc2)c1 ZINC000044085351 209314181 /nfs/dbraw/zinc/31/41/81/209314181.db2.gz WOIFQLXCNJZBIE-UHFFFAOYSA-N 0 0 365.458 5.482 50 5 FKBARN CC(C)Sc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000044085448 209313080 /nfs/dbraw/zinc/31/30/80/209313080.db2.gz QJTMJHOOMGZXGP-UHFFFAOYSA-N 0 0 353.447 5.007 50 5 FKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SC(C)C)cc1 ZINC000044085527 570483483 /nfs/dbraw/zinc/48/34/83/570483483.db2.gz PIJOFVAFHKZBBK-UHFFFAOYSA-N 0 0 353.447 5.256 50 5 FKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SCC(C)C)cc1 ZINC000044085529 570483880 /nfs/dbraw/zinc/48/38/80/570483880.db2.gz VEPQRCFRQGSVIQ-UHFFFAOYSA-N 0 0 367.474 5.504 50 5 FKBARN Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cnc1SC(C)C ZINC000044086839 209313352 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CCCC(=O)Nc1c2ccc3ccccc3c2cc2ccc3ccccc3c21 ZINC000045068520 571133282 /nfs/dbraw/zinc/13/32/82/571133282.db2.gz WDINWSOCCYCUCT-UHFFFAOYSA-N 0 0 363.460 7.038 50 5 FKBARN OCC12CC=CCC1([C@@H](O)c1cc3ccccc3c3ccccc31)CC=CC2 ZINC000045070903 210049535 /nfs/dbraw/zinc/04/95/35/210049535.db2.gz VUNIXGRTSXJBMX-IHSPPPAMSA-N 0 0 370.492 5.692 50 5 FKBARN OCC12CC=CCC1([C@H](O)c1cc3ccccc3c3ccccc31)CC=CC2 ZINC000045070904 571133588 /nfs/dbraw/zinc/13/35/88/571133588.db2.gz VUNIXGRTSXJBMX-JDSVYEKJSA-N 0 0 370.492 5.692 50 5 FKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000046085640 205132265 /nfs/dbraw/zinc/13/22/65/205132265.db2.gz YWMVKLSFJPUJLJ-UHFFFAOYSA-N 0 0 368.389 5.081 50 5 FKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000046085651 205133084 /nfs/dbraw/zinc/13/30/84/205133084.db2.gz BLWUSHNYIHLYJD-UHFFFAOYSA-N 0 0 368.389 5.081 50 5 FKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 ZINC000046086063 205133331 /nfs/dbraw/zinc/13/33/31/205133331.db2.gz 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Cc1cccc([C@@H]2CCCCCN2C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000064984795 221161306 /nfs/dbraw/zinc/16/13/06/221161306.db2.gz AWWNBYIDYJKCLM-SFHVURJKSA-N 0 0 353.422 5.052 50 5 FKBARN Cc1cccc([C@H]2CCCCCN2C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000064984796 221161926 /nfs/dbraw/zinc/16/19/26/221161926.db2.gz AWWNBYIDYJKCLM-GOSISDBHSA-N 0 0 353.422 5.052 50 5 FKBARN Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000064984861 208629031 /nfs/dbraw/zinc/62/90/31/208629031.db2.gz QZPQRXSKRDFEHO-FQEVSTJZSA-N 0 0 367.449 5.361 50 5 FKBARN Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000064984862 221161611 /nfs/dbraw/zinc/16/16/11/221161611.db2.gz QZPQRXSKRDFEHO-HXUWFJFHSA-N 0 0 367.449 5.361 50 5 FKBARN O=[N+]([O-])c1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c2ccncc21 ZINC000065575522 571264944 /nfs/dbraw/zinc/26/49/44/571264944.db2.gz UEDOWWAWBBPDEW-LJQANCHMSA-N 0 0 353.809 5.360 50 5 FKBARN O=[N+]([O-])c1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c2ccncc21 ZINC000065575523 221233656 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Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000071773585 571166570 /nfs/dbraw/zinc/16/65/70/571166570.db2.gz DNJUFDQOIUPQMN-UHFFFAOYSA-N 0 0 358.484 7.944 50 5 FKBARN Brc1cc2ccc3cccc4c5cccc6ccc1c(c65)c2c34 ZINC000071787039 568296079 /nfs/dbraw/zinc/29/60/79/568296079.db2.gz OZJYNSWKMSSYRF-UHFFFAOYSA-N 0 0 355.234 7.091 50 5 FKBARN CCCC(=O)Nc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000071971795 208186732 /nfs/dbraw/zinc/18/67/32/208186732.db2.gz LTFQTBBGROLRPT-UHFFFAOYSA-N 0 0 367.430 5.124 50 5 FKBARN O=[N+]([O-])c1ccc([C@H]2CC=C(c3ccccc3)c3nc4ccccc4n32)cc1 ZINC000072332449 205511535 /nfs/dbraw/zinc/51/15/35/205511535.db2.gz PSDMDUFWLOEJDF-OAQYLSRUSA-N 0 0 367.408 5.369 50 5 FKBARN O=[N+]([O-])c1ccc([C@@H]2CC=C(c3ccccc3)c3nc4ccccc4n32)cc1 ZINC000072332450 571123295 /nfs/dbraw/zinc/12/32/95/571123295.db2.gz PSDMDUFWLOEJDF-NRFANRHFSA-N 0 0 367.408 5.369 50 5 FKBARN COC(=O)c1ccc(CSc2nc3ccccc3c3ccccc32)cc1 ZINC000072414063 571158807 /nfs/dbraw/zinc/15/88/07/571158807.db2.gz 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O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000670431823 571345547 /nfs/dbraw/zinc/34/55/47/571345547.db2.gz XVZNRENGLUBDFV-ZWKOTPCHSA-N 0 0 371.461 5.157 50 5 FKBARN Brc1ccc2oc3c(ccc4noc(-c5ccccc5)c43)c2c1 ZINC000670432502 571345540 /nfs/dbraw/zinc/34/55/40/571345540.db2.gz GFKPPMLIXXWWIE-UHFFFAOYSA-N 0 0 364.198 6.157 50 5 FKBARN CC(=O)N(/C=C/c1c2ccccc2[s+]c2ccccc21)c1ccccc1 ZINC000685944335 571104610 /nfs/dbraw/zinc/10/46/10/571104610.db2.gz KPNMJTIQJJXVAX-FOCLMDBBSA-N 0 0 356.470 6.359 50 5 FKBARN