smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([O-])c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175263304 927142554 /nfs/dbraw/zinc/14/25/54/927142554.db2.gz BSCOUPPSPYYEND-UHFFFAOYSA-N -1 3 365.183 3.878 20 5 FHBDHM Cc1c(CSC(C)C)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187132193 927934045 /nfs/dbraw/zinc/93/40/45/927934045.db2.gz KHQPAUZEZHNADX-UHFFFAOYSA-N -1 3 361.423 3.898 20 5 FHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000610221114 928276298 /nfs/dbraw/zinc/27/62/98/928276298.db2.gz ZVCKORLHVQWEAA-UHFFFAOYSA-N -1 3 354.391 3.598 20 5 FHBDHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187542529 932997939 /nfs/dbraw/zinc/99/79/39/932997939.db2.gz AXRJHSGACCNQDO-UHFFFAOYSA-N -1 3 361.663 3.620 20 5 FHBDHM CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)s1 ZINC000411281248 940027370 /nfs/dbraw/zinc/02/73/70/940027370.db2.gz TUEZLGUXCAQCCZ-UHFFFAOYSA-N -1 3 368.440 3.598 20 5 FHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1C ZINC000015243530 942076096 /nfs/dbraw/zinc/07/60/96/942076096.db2.gz IJNSJGGUCROPHG-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(F)F)c1ccccc1 ZINC000420731006 942179410 /nfs/dbraw/zinc/17/94/10/942179410.db2.gz FDCSJMAZGOBELY-CYBMUJFWSA-N -1 3 370.377 3.578 20 5 FHBDHM COc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])cc1F ZINC000419585529 942322679 /nfs/dbraw/zinc/32/26/79/942322679.db2.gz KKSRTLXONYQZFJ-UHFFFAOYSA-N -1 3 365.386 3.549 20 5 FHBDHM CCCCOc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000190104621 942626618 /nfs/dbraw/zinc/62/66/18/942626618.db2.gz ZHBYCPHXDZMLRF-UHFFFAOYSA-N -1 3 358.394 3.752 20 5 FHBDHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000515713231 944144830 /nfs/dbraw/zinc/14/48/30/944144830.db2.gz KKXILMGFQNXPIR-MRXNPFEDSA-N -1 3 366.414 3.800 20 5 FHBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000550321171 946238506 /nfs/dbraw/zinc/23/85/06/946238506.db2.gz MNKRWILITCSDBB-UHFFFAOYSA-N -1 3 369.146 3.763 20 5 FHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1csc2ccccc12 ZINC000523164324 946963981 /nfs/dbraw/zinc/96/39/81/946963981.db2.gz MQWFIVSFUIVSOD-UHFFFAOYSA-N -1 3 364.386 3.874 20 5 FHBDHM CC(C)c1ccc2c(c1)[C@H](Nc1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001574416783 948760890 /nfs/dbraw/zinc/76/08/90/948760890.db2.gz HUBJLRTZEOVJRI-MRXNPFEDSA-N -1 3 364.409 3.998 20 5 FHBDHM CC(C)c1ccc2c(c1)[C@H](Nc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001574416783 948760897 /nfs/dbraw/zinc/76/08/97/948760897.db2.gz HUBJLRTZEOVJRI-MRXNPFEDSA-N -1 3 364.409 3.998 20 5 FHBDHM CC(C)c1cccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001574419677 948787234 /nfs/dbraw/zinc/78/72/34/948787234.db2.gz IYKGHXYJKPSUBL-UHFFFAOYSA-N -1 3 352.398 3.535 20 5 FHBDHM CC(C)c1cccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001574419677 948787245 /nfs/dbraw/zinc/78/72/45/948787245.db2.gz IYKGHXYJKPSUBL-UHFFFAOYSA-N -1 3 352.398 3.535 20 5 FHBDHM Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568766963 568193134 /nfs/dbraw/zinc/19/31/34/568193134.db2.gz IQIMNYZSXJDGGG-MRXNPFEDSA-N -1 3 373.409 3.834 20 5 FHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000481951985 568195593 /nfs/dbraw/zinc/19/55/93/568195593.db2.gz SRUATNXVIBBGMM-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000436682214 568286480 /nfs/dbraw/zinc/28/64/80/568286480.db2.gz POJBRKGULLCBBT-NSHDSACASA-N -1 3 356.378 3.505 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000736368661 598975001 /nfs/dbraw/zinc/97/50/01/598975001.db2.gz ICCTYTJBJMIUDQ-ZDUSSCGKSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000736368661 598975003 /nfs/dbraw/zinc/97/50/03/598975003.db2.gz ICCTYTJBJMIUDQ-ZDUSSCGKSA-N -1 3 360.324 3.616 20 5 FHBDHM C[C@@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000820550567 599222393 /nfs/dbraw/zinc/22/23/93/599222393.db2.gz WUJWAMKSPGTRPP-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000820550567 599222395 /nfs/dbraw/zinc/22/23/95/599222395.db2.gz WUJWAMKSPGTRPP-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000737242720 598271317 /nfs/dbraw/zinc/27/13/17/598271317.db2.gz YERYBWUVSCCAKZ-LLVKDONJSA-N -1 3 356.411 3.640 20 5 FHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000737242720 598271319 /nfs/dbraw/zinc/27/13/19/598271319.db2.gz YERYBWUVSCCAKZ-LLVKDONJSA-N -1 3 356.411 3.640 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735913846 598788401 /nfs/dbraw/zinc/78/84/01/598788401.db2.gz SRUNTHXCHMHBHX-UHFFFAOYSA-N -1 3 371.422 3.854 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735913846 598788403 /nfs/dbraw/zinc/78/84/03/598788403.db2.gz SRUNTHXCHMHBHX-UHFFFAOYSA-N -1 3 371.422 3.854 20 5 FHBDHM C[C@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736198094 598814801 /nfs/dbraw/zinc/81/48/01/598814801.db2.gz FOEZYGKQAJLJBG-SNVBAGLBSA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736198094 598814802 /nfs/dbraw/zinc/81/48/02/598814802.db2.gz FOEZYGKQAJLJBG-SNVBAGLBSA-N -1 3 358.789 3.626 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c2ccncc21 ZINC000823645183 599317146 /nfs/dbraw/zinc/31/71/46/599317146.db2.gz PCLXGXOLFCASAH-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c2ccncc21 ZINC000823645183 599317150 /nfs/dbraw/zinc/31/71/50/599317150.db2.gz PCLXGXOLFCASAH-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=C([O-])[C@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414687200 604527955 /nfs/dbraw/zinc/52/79/55/604527955.db2.gz WMHFILDOGADLAS-OAHLLOKOSA-N -1 3 360.341 3.575 20 5 FHBDHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000822209446 606136275 /nfs/dbraw/zinc/13/62/75/606136275.db2.gz JHQVLSXYXQQWDA-SNVBAGLBSA-N -1 3 358.789 3.910 20 5 FHBDHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000822209446 606136276 /nfs/dbraw/zinc/13/62/76/606136276.db2.gz JHQVLSXYXQQWDA-SNVBAGLBSA-N -1 3 358.789 3.910 20 5 FHBDHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000822209445 606136279 /nfs/dbraw/zinc/13/62/79/606136279.db2.gz JHQVLSXYXQQWDA-JTQLQIEISA-N -1 3 358.789 3.910 20 5 FHBDHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000822209445 606136281 /nfs/dbraw/zinc/13/62/81/606136281.db2.gz JHQVLSXYXQQWDA-JTQLQIEISA-N -1 3 358.789 3.910 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3cc(-c4nnn[n-]4)cs3)nc21 ZINC000823648612 606305363 /nfs/dbraw/zinc/30/53/63/606305363.db2.gz YRKDQROPPFSPOV-SREVYHEPSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3cc(-c4nn[n-]n4)cs3)nc21 ZINC000823648612 606305365 /nfs/dbraw/zinc/30/53/65/606305365.db2.gz YRKDQROPPFSPOV-SREVYHEPSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000823644202 606339720 /nfs/dbraw/zinc/33/97/20/606339720.db2.gz GPMBZNJPHJGEEC-TWGQIWQCSA-N -1 3 374.769 3.715 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823629909 606596234 /nfs/dbraw/zinc/59/62/34/606596234.db2.gz LOVBGPLVEBZNLL-KOLCDFICSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823629909 606596235 /nfs/dbraw/zinc/59/62/35/606596235.db2.gz LOVBGPLVEBZNLL-KOLCDFICSA-N -1 3 370.335 3.556 20 5 FHBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000610228030 928354488 /nfs/dbraw/zinc/35/44/88/928354488.db2.gz ZPKNBUZFZVNMOO-UHFFFAOYSA-N -1 3 372.381 3.737 20 5 FHBDHM CC1(C)CC[C@@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC000580224627 930378071 /nfs/dbraw/zinc/37/80/71/930378071.db2.gz VUUJSYWRLDINCA-FQEVSTJZSA-N -1 3 354.406 3.736 20 5 FHBDHM Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC001211540940 935370078 /nfs/dbraw/zinc/37/00/78/935370078.db2.gz JJBXBIZAJSIGGV-UHFFFAOYSA-N -1 3 374.768 3.566 20 5 FHBDHM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1[N+](=O)[O-] ZINC000158869925 938917777 /nfs/dbraw/zinc/91/77/77/938917777.db2.gz NWBLEAWCEIIHAK-UHFFFAOYSA-N -1 3 367.402 3.663 20 5 FHBDHM CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)s1 ZINC000411258940 940018709 /nfs/dbraw/zinc/01/87/09/940018709.db2.gz VQJITCVGVSXJFO-UHFFFAOYSA-N -1 3 364.427 3.684 20 5 FHBDHM CN(c1ccccc1)c1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414672727 941436875 /nfs/dbraw/zinc/43/68/75/941436875.db2.gz CKHUYWAUYAWILO-MRXNPFEDSA-N -1 3 369.421 3.659 20 5 FHBDHM Cc1cc(OCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000435757989 943605931 /nfs/dbraw/zinc/60/59/31/943605931.db2.gz DKHLIHHZKCYLJZ-UHFFFAOYSA-N -1 3 370.283 3.645 20 5 FHBDHM O=C([O-])C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000417622369 943759155 /nfs/dbraw/zinc/75/91/55/943759155.db2.gz IKLJMSHDEWKLJR-JTQLQIEISA-N -1 3 372.299 3.598 20 5 FHBDHM CC(C)(C)Cc1nc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2o1 ZINC000518706953 944634305 /nfs/dbraw/zinc/63/43/05/944634305.db2.gz JJUWCQPGENVTKR-UHFFFAOYSA-N -1 3 370.365 3.678 20 5 FHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c(F)c1 ZINC000517869497 944747218 /nfs/dbraw/zinc/74/72/18/944747218.db2.gz GSYSPZOSOJXYEW-QGZVFWFLSA-N -1 3 364.398 3.554 20 5 FHBDHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000426756744 944778330 /nfs/dbraw/zinc/77/83/30/944778330.db2.gz AECFKXKFVMUGTC-GOSISDBHSA-N -1 3 358.394 3.608 20 5 FHBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000436999414 944914249 /nfs/dbraw/zinc/91/42/49/944914249.db2.gz RKJMVDJTSQUMMD-UHFFFAOYSA-N -1 3 351.362 3.820 20 5 FHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)cc1F ZINC000440388968 945478206 /nfs/dbraw/zinc/47/82/06/945478206.db2.gz HATKMSZOBSXNIB-LLVKDONJSA-N -1 3 370.377 3.529 20 5 FHBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820726768 945539781 /nfs/dbraw/zinc/53/97/81/945539781.db2.gz BTUIOWROLCLUEK-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820726768 945539783 /nfs/dbraw/zinc/53/97/83/945539783.db2.gz BTUIOWROLCLUEK-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000440145077 946457920 /nfs/dbraw/zinc/45/79/20/946457920.db2.gz KUCJDBBWUGSHIR-ZIAGYGMSSA-N -1 3 368.418 3.519 20 5 FHBDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000523415373 947224143 /nfs/dbraw/zinc/22/41/43/947224143.db2.gz WPUDNRRHQBCQGD-VIFPVBQESA-N -1 3 374.871 3.528 20 5 FHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)n1 ZINC000427600564 948361124 /nfs/dbraw/zinc/36/11/24/948361124.db2.gz UNCMWIATNYWEGL-CMDGGOBGSA-N -1 3 369.406 3.690 20 5 FHBDHM Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc1 ZINC000008117034 204317770 /nfs/dbraw/zinc/31/77/70/204317770.db2.gz JAEVGCBOZYDXNM-UHFFFAOYSA-N -1 3 357.757 3.594 20 5 FHBDHM COc1cc(Cl)c(C)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046306989 205136286 /nfs/dbraw/zinc/13/62/86/205136286.db2.gz VZMNTTPFXNOQQL-UHFFFAOYSA-N -1 3 360.757 3.694 20 5 FHBDHM Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c([O-])c1C ZINC000436588136 567947083 /nfs/dbraw/zinc/94/70/83/567947083.db2.gz HFXHTDVJRPZZEK-GOSISDBHSA-N -1 3 358.419 3.805 20 5 FHBDHM O=C(c1cc2c(cc1[O-])CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000436608408 568032453 /nfs/dbraw/zinc/03/24/53/568032453.db2.gz UEWQLSRUEBADEK-UHFFFAOYSA-N -1 3 366.417 3.984 20 5 FHBDHM O=C([O-])c1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(F)c1 ZINC000570583919 568495468 /nfs/dbraw/zinc/49/54/68/568495468.db2.gz OFPPJNSEGBBBAV-OAHLLOKOSA-N -1 3 358.369 3.812 20 5 FHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000007418591 568505499 /nfs/dbraw/zinc/50/54/99/568505499.db2.gz RDWFJLZAQSSIFR-UHFFFAOYSA-N -1 3 362.741 3.636 20 5 FHBDHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196018 599268662 /nfs/dbraw/zinc/26/86/62/599268662.db2.gz IVUYVXMXJGRACE-NSHDSACASA-N -1 3 372.816 3.621 20 5 FHBDHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196018 599268663 /nfs/dbraw/zinc/26/86/63/599268663.db2.gz IVUYVXMXJGRACE-NSHDSACASA-N -1 3 372.816 3.621 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCCc2ccccc21 ZINC000738358626 598245787 /nfs/dbraw/zinc/24/57/87/598245787.db2.gz NTXWSVRQPGMOJV-HNNXBMFYSA-N -1 3 350.382 3.655 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCCc2ccccc21 ZINC000738358626 598245788 /nfs/dbraw/zinc/24/57/88/598245788.db2.gz NTXWSVRQPGMOJV-HNNXBMFYSA-N -1 3 350.382 3.655 20 5 FHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736134340 599440786 /nfs/dbraw/zinc/44/07/86/599440786.db2.gz BWAMPVWZSBQHSU-QMMMGPOBSA-N -1 3 362.752 3.741 20 5 FHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736134340 599440788 /nfs/dbraw/zinc/44/07/88/599440788.db2.gz BWAMPVWZSBQHSU-QMMMGPOBSA-N -1 3 362.752 3.741 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1CCC(C(F)(F)F)CC1 ZINC000823630485 599689359 /nfs/dbraw/zinc/68/93/59/599689359.db2.gz XXYYFHVWYKIBPM-UHFFFAOYSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1CCC(C(F)(F)F)CC1 ZINC000823630485 599689360 /nfs/dbraw/zinc/68/93/60/599689360.db2.gz XXYYFHVWYKIBPM-UHFFFAOYSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nnn[n-]4)cc3F)nc21 ZINC000823647221 607457930 /nfs/dbraw/zinc/45/79/30/607457930.db2.gz IAICJPQJTZPPMC-VURMDHGXSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000823647221 607457932 /nfs/dbraw/zinc/45/79/32/607457932.db2.gz IAICJPQJTZPPMC-VURMDHGXSA-N -1 3 362.324 3.633 20 5 FHBDHM CN1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000833697935 604679258 /nfs/dbraw/zinc/67/92/58/604679258.db2.gz JXEHSQQOBLQAHA-WSYNGHIGSA-N -1 3 367.405 3.550 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000823646830 606304918 /nfs/dbraw/zinc/30/49/18/606304918.db2.gz AZRKWKMTTRBBAV-XQRVVYSFSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000823646830 606304920 /nfs/dbraw/zinc/30/49/20/606304920.db2.gz AZRKWKMTTRBBAV-XQRVVYSFSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nnn[n-]4)s3)nc21 ZINC000823648420 606390122 /nfs/dbraw/zinc/39/01/22/606390122.db2.gz WTSFHDVWUUTGQA-SREVYHEPSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000826498519 607845993 /nfs/dbraw/zinc/84/59/93/607845993.db2.gz YNAWQNJPVBWUKN-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000826498519 607845994 /nfs/dbraw/zinc/84/59/94/607845994.db2.gz YNAWQNJPVBWUKN-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(-c2ccc(CNc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000826498078 608869429 /nfs/dbraw/zinc/86/94/29/608869429.db2.gz HFFHSFPUCHFWTA-UHFFFAOYSA-N -1 3 362.349 3.647 20 5 FHBDHM COc1cc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826180185 609440108 /nfs/dbraw/zinc/44/01/08/609440108.db2.gz VWWDKWNAPQXUBA-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM COc1cc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826180185 609440110 /nfs/dbraw/zinc/44/01/10/609440110.db2.gz VWWDKWNAPQXUBA-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(F)c2F)cc1SC ZINC000558229680 927441118 /nfs/dbraw/zinc/44/11/18/927441118.db2.gz HXZBHQCVNZJKOD-UHFFFAOYSA-N -1 3 372.324 3.995 20 5 FHBDHM Cc1ccc(-c2nnc([N-]C(=O)c3ccccc3[N+](=O)[O-])s2)c(C)c1 ZINC000065082868 933743509 /nfs/dbraw/zinc/74/35/09/933743509.db2.gz ZPEODKQNINQUFP-UHFFFAOYSA-N -1 3 354.391 3.982 20 5 FHBDHM CCc1ccc([O-])c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000535793011 934384758 /nfs/dbraw/zinc/38/47/58/934384758.db2.gz UGPGHBVWCDRISC-GOSISDBHSA-N -1 3 358.419 3.751 20 5 FHBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1[N+](=O)[O-] ZINC000158625840 935669914 /nfs/dbraw/zinc/66/99/14/935669914.db2.gz KEGYMUKMSBQNRQ-UHFFFAOYSA-N -1 3 360.267 3.681 20 5 FHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000158873199 938959026 /nfs/dbraw/zinc/95/90/26/938959026.db2.gz XKVXJNFCLHFENZ-UHFFFAOYSA-N -1 3 367.402 3.663 20 5 FHBDHM O=C([N-]c1c(F)cccc1F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175502042 940872941 /nfs/dbraw/zinc/87/29/41/940872941.db2.gz DAVWDBWPSZRLOB-UHFFFAOYSA-N -1 3 357.110 3.888 20 5 FHBDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)cccc3[N+](=O)[O-])c2)n1 ZINC000365675076 941940440 /nfs/dbraw/zinc/94/04/40/941940440.db2.gz VFRSBRNIDAWWHN-UHFFFAOYSA-N -1 3 364.361 3.627 20 5 FHBDHM CCOc1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000419581046 942313536 /nfs/dbraw/zinc/31/35/36/942313536.db2.gz CBHPMWTYKMNZAG-UHFFFAOYSA-N -1 3 361.423 3.800 20 5 FHBDHM CSc1cccc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000188032879 942314988 /nfs/dbraw/zinc/31/49/88/942314988.db2.gz FACWVSVHUCYTLY-UHFFFAOYSA-N -1 3 369.406 3.663 20 5 FHBDHM CCc1cccc(-c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)c1[O-] ZINC000515202806 943564402 /nfs/dbraw/zinc/56/44/02/943564402.db2.gz IOZRZALUNJPLIN-UHFFFAOYSA-N -1 3 355.350 3.512 20 5 FHBDHM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000515473258 943912993 /nfs/dbraw/zinc/91/29/93/943912993.db2.gz XODBFBDKJDWFOD-UHFFFAOYSA-N -1 3 370.409 3.637 20 5 FHBDHM O=C([O-])[C@H](CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000515660293 944104070 /nfs/dbraw/zinc/10/40/70/944104070.db2.gz VDDYHBPLRQSLRQ-GOSISDBHSA-N -1 3 354.406 3.818 20 5 FHBDHM COc1cc(-c2nc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000436741822 944570339 /nfs/dbraw/zinc/57/03/39/944570339.db2.gz TXMSKIPYRNNAEF-UHFFFAOYSA-N -1 3 364.155 3.615 20 5 FHBDHM CC(C)(C)c1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c([O-])c1 ZINC000506256737 944688423 /nfs/dbraw/zinc/68/84/23/944688423.db2.gz WWDCAGRGIKGFSS-UHFFFAOYSA-N -1 3 372.377 3.621 20 5 FHBDHM COc1cc(C)cc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1[O-] ZINC000436946916 944833934 /nfs/dbraw/zinc/83/39/34/944833934.db2.gz CNEMXEWEFNDOKN-UHFFFAOYSA-N -1 3 355.350 3.567 20 5 FHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)sc1Cl ZINC000473908196 946629099 /nfs/dbraw/zinc/62/90/99/946629099.db2.gz VAVMXCDOYKGCTP-VIFPVBQESA-N -1 3 360.844 3.658 20 5 FHBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000469877704 946766514 /nfs/dbraw/zinc/76/65/14/946766514.db2.gz CKVYYXQTPDFVMT-UHFFFAOYSA-N -1 3 373.369 3.517 20 5 FHBDHM O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncccc3[O-])o2)c(Cl)c1 ZINC000475354568 946932476 /nfs/dbraw/zinc/93/24/76/946932476.db2.gz HRAAYNILMTYODV-UHFFFAOYSA-N -1 3 359.769 3.899 20 5 FHBDHM CCSc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000520570435 948305287 /nfs/dbraw/zinc/30/52/87/948305287.db2.gz JJUDIVOFRNZFAV-UHFFFAOYSA-N -1 3 368.418 3.771 20 5 FHBDHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000490330985 567956732 /nfs/dbraw/zinc/95/67/32/567956732.db2.gz PNHYCGPCUSHYQN-ONEGZZNKSA-N -1 3 360.326 3.601 20 5 FHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000481949689 568195381 /nfs/dbraw/zinc/19/53/81/568195381.db2.gz CDJHAEZFKLFRGC-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc2ccccc21 ZINC000604019498 568199708 /nfs/dbraw/zinc/19/97/08/568199708.db2.gz HBMBYVKNEHZTQO-GFCCVEGCSA-N -1 3 374.393 3.927 20 5 FHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(SC)ns1 ZINC000481964811 568200045 /nfs/dbraw/zinc/20/00/45/568200045.db2.gz FOMOYFPYCUVTQW-UHFFFAOYSA-N -1 3 356.454 3.533 20 5 FHBDHM C[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000570025960 568441799 /nfs/dbraw/zinc/44/17/99/568441799.db2.gz CDBHOOUDEFYAMM-VIFPVBQESA-N -1 3 365.183 3.805 20 5 FHBDHM COc1ccccc1[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821883151 599068668 /nfs/dbraw/zinc/06/86/68/599068668.db2.gz QUIOGVHNBUHFCC-JTQLQIEISA-N -1 3 357.395 3.637 20 5 FHBDHM COc1ccccc1[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821883151 599068672 /nfs/dbraw/zinc/06/86/72/599068672.db2.gz QUIOGVHNBUHFCC-JTQLQIEISA-N -1 3 357.395 3.637 20 5 FHBDHM C[C@H](SCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000820550568 599222348 /nfs/dbraw/zinc/22/23/48/599222348.db2.gz WUJWAMKSPGTRPP-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@H](SCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000820550568 599222350 /nfs/dbraw/zinc/22/23/50/599222350.db2.gz WUJWAMKSPGTRPP-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM CC(C)(C)Sc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735643031 598499764 /nfs/dbraw/zinc/49/97/64/598499764.db2.gz KGZNFLVGMOHCOR-UHFFFAOYSA-N -1 3 371.426 3.804 20 5 FHBDHM CC(C)(C)Sc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735643031 598499765 /nfs/dbraw/zinc/49/97/65/598499765.db2.gz KGZNFLVGMOHCOR-UHFFFAOYSA-N -1 3 371.426 3.804 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCSc3ccc(F)cc32)c(-c2nnn[n-]2)c1 ZINC000823639825 599321685 /nfs/dbraw/zinc/32/16/85/599321685.db2.gz HYRDTPQIYAPXDS-CQSZACIVSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCSc3ccc(F)cc32)c(-c2nn[n-]n2)c1 ZINC000823639825 599321687 /nfs/dbraw/zinc/32/16/87/599321687.db2.gz HYRDTPQIYAPXDS-CQSZACIVSA-N -1 3 372.385 3.563 20 5 FHBDHM C[C@H](SCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188611 599325967 /nfs/dbraw/zinc/32/59/67/599325967.db2.gz LQUMKNKMSWRKGK-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@H](SCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188611 599325970 /nfs/dbraw/zinc/32/59/70/599325970.db2.gz LQUMKNKMSWRKGK-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@@H](SCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190999 599328587 /nfs/dbraw/zinc/32/85/87/599328587.db2.gz VCSUQICBNRXXRU-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@@H](SCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190999 599328590 /nfs/dbraw/zinc/32/85/90/599328590.db2.gz VCSUQICBNRXXRU-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM CCc1ccc([C@H]2CCCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821481507 599578696 /nfs/dbraw/zinc/57/86/96/599578696.db2.gz KPUHHLWKKMDTDG-OAHLLOKOSA-N -1 3 368.397 3.662 20 5 FHBDHM CCc1ccc([C@H]2CCCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821481507 599578697 /nfs/dbraw/zinc/57/86/97/599578697.db2.gz KPUHHLWKKMDTDG-OAHLLOKOSA-N -1 3 368.397 3.662 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nnn[n-]4)cc3F)nc21 ZINC000823647218 607457709 /nfs/dbraw/zinc/45/77/09/607457709.db2.gz IAICJPQJTZPPMC-SOFGYWHQSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000823647218 607457711 /nfs/dbraw/zinc/45/77/11/607457711.db2.gz IAICJPQJTZPPMC-SOFGYWHQSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000823646001 607457889 /nfs/dbraw/zinc/45/78/89/607457889.db2.gz ZGFGYKPDCVUHLI-UTCJRWHESA-N -1 3 368.353 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000823646001 607457890 /nfs/dbraw/zinc/45/78/90/607457890.db2.gz ZGFGYKPDCVUHLI-UTCJRWHESA-N -1 3 368.353 3.694 20 5 FHBDHM CC(C)N(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833538692 604535202 /nfs/dbraw/zinc/53/52/02/604535202.db2.gz VCNMWGDZKINMTE-HNNXBMFYSA-N -1 3 372.421 3.857 20 5 FHBDHM C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833629294 604669349 /nfs/dbraw/zinc/66/93/49/604669349.db2.gz HEIJXEDDJZKFBE-MLGOLLRUSA-N -1 3 374.368 3.679 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823640059 606595920 /nfs/dbraw/zinc/59/59/20/606595920.db2.gz QSFWOTYPYDXZNW-NXEZZACHSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823640059 606595922 /nfs/dbraw/zinc/59/59/22/606595922.db2.gz QSFWOTYPYDXZNW-NXEZZACHSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000823639449 606801386 /nfs/dbraw/zinc/80/13/86/606801386.db2.gz AMVSOQYIXSYJHK-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2c(Cl)cccc2-c2nn[n-]n2)c1 ZINC000823639449 606801388 /nfs/dbraw/zinc/80/13/88/606801388.db2.gz AMVSOQYIXSYJHK-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823635334 607129630 /nfs/dbraw/zinc/12/96/30/607129630.db2.gz VYLNZDIECTXPDX-UHFFFAOYSA-N -1 3 369.234 3.725 20 5 FHBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823635334 607129632 /nfs/dbraw/zinc/12/96/32/607129632.db2.gz VYLNZDIECTXPDX-UHFFFAOYSA-N -1 3 369.234 3.725 20 5 FHBDHM O=[N+]([O-])c1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000826498023 609445037 /nfs/dbraw/zinc/44/50/37/609445037.db2.gz DRLHEQWMHLNTCO-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000134454496 928917000 /nfs/dbraw/zinc/91/70/00/928917000.db2.gz RXSJMCUWNGRTMP-UHFFFAOYSA-N -1 3 352.441 3.934 20 5 FHBDHM Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1-c1c[nH]c2ncccc12 ZINC000126691071 945175535 /nfs/dbraw/zinc/17/55/35/945175535.db2.gz ULCORODAFODNRK-UHFFFAOYSA-N -1 3 369.362 3.748 20 5 FHBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cnn1C1CCOCC1 ZINC000413333698 942683219 /nfs/dbraw/zinc/68/32/19/942683219.db2.gz RMTHBFBMCPTKRF-UHFFFAOYSA-N -1 3 371.319 3.609 20 5 FHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2-c2ccccc2)n1 ZINC000504091450 943496797 /nfs/dbraw/zinc/49/67/97/943496797.db2.gz RQVLIRYJCSLYAS-UHFFFAOYSA-N -1 3 358.304 3.526 20 5 FHBDHM Cc1nn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1[N+](=O)[O-] ZINC000436473394 944353905 /nfs/dbraw/zinc/35/39/05/944353905.db2.gz IFVNJEDHIJOVQX-UHFFFAOYSA-N -1 3 367.390 3.525 20 5 FHBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519749611 945715814 /nfs/dbraw/zinc/71/58/14/945715814.db2.gz XJLXQNVITAPNQQ-LPHOPBHVSA-N -1 3 360.385 3.792 20 5 FHBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)sc1Cl ZINC000473908195 946628892 /nfs/dbraw/zinc/62/88/92/946628892.db2.gz VAVMXCDOYKGCTP-SECBINFHSA-N -1 3 360.844 3.658 20 5 FHBDHM Cc1c(COC(C)(C)C)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445015424 947416053 /nfs/dbraw/zinc/41/60/53/947416053.db2.gz UHLQUXXVINDKDO-UHFFFAOYSA-N -1 3 359.382 3.571 20 5 FHBDHM CC(C)(C)Cc1nc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2o1 ZINC000445192268 947583912 /nfs/dbraw/zinc/58/39/12/947583912.db2.gz MKSLULOTLACBPX-UHFFFAOYSA-N -1 3 370.365 3.678 20 5 FHBDHM Cc1ccccc1[C@H](C)CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523871113 947682692 /nfs/dbraw/zinc/68/26/92/947682692.db2.gz TZGNGWYFXFTZKD-CQSZACIVSA-N -1 3 364.405 3.848 20 5 FHBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(/C=C\c3ccccc3)cs2)n1 ZINC000427600567 948361018 /nfs/dbraw/zinc/36/10/18/948361018.db2.gz UNCMWIATNYWEGL-HJWRWDBZSA-N -1 3 369.406 3.690 20 5 FHBDHM O=C(Nc1cccc(C(F)(F)F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046304934 205136115 /nfs/dbraw/zinc/13/61/15/205136115.db2.gz RVOIHJGFYVNCEQ-UHFFFAOYSA-N -1 3 350.256 3.742 20 5 FHBDHM Cc1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c([O-])c1C ZINC000452867963 567834117 /nfs/dbraw/zinc/83/41/17/567834117.db2.gz YFTHXJMTPKWXKU-MRXNPFEDSA-N -1 3 354.406 3.937 20 5 FHBDHM CCCc1ccc(-c2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C)cc1 ZINC000159367123 568196982 /nfs/dbraw/zinc/19/69/82/568196982.db2.gz XHAGCXPLEOFTDV-UHFFFAOYSA-N -1 3 371.422 3.955 20 5 FHBDHM C[C@@H](C(=O)Nc1ccc(Br)cc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000570025958 568441822 /nfs/dbraw/zinc/44/18/22/568441822.db2.gz CDBHOOUDEFYAMM-SECBINFHSA-N -1 3 365.183 3.805 20 5 FHBDHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000007419254 568505606 /nfs/dbraw/zinc/50/56/06/568505606.db2.gz ODPAHZKRVCZAAM-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738357119 598972480 /nfs/dbraw/zinc/97/24/80/598972480.db2.gz BYIHBWHKRYOIAL-TVQRCGJNSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738357119 598972482 /nfs/dbraw/zinc/97/24/82/598972482.db2.gz BYIHBWHKRYOIAL-TVQRCGJNSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(NCC2(c3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370090 598459343 /nfs/dbraw/zinc/45/93/43/598459343.db2.gz NIAJHILUEUULFB-UHFFFAOYSA-N -1 3 370.800 3.572 20 5 FHBDHM O=[N+]([O-])c1ccc(NCC2(c3ccc(Cl)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370090 598459345 /nfs/dbraw/zinc/45/93/45/598459345.db2.gz NIAJHILUEUULFB-UHFFFAOYSA-N -1 3 370.800 3.572 20 5 FHBDHM C[C@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736190484 598500557 /nfs/dbraw/zinc/50/05/57/598500557.db2.gz FPTSJHFYYALMND-QMMMGPOBSA-N -1 3 362.802 3.677 20 5 FHBDHM COc1ccc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737098751 599331219 /nfs/dbraw/zinc/33/12/19/599331219.db2.gz ZBZNPPNAIFZUSR-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737098751 599331222 /nfs/dbraw/zinc/33/12/22/599331222.db2.gz ZBZNPPNAIFZUSR-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736367316 599528328 /nfs/dbraw/zinc/52/83/28/599528328.db2.gz AIBLYVYKAXGFIT-ZDUSSCGKSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736367316 599528329 /nfs/dbraw/zinc/52/83/29/599528329.db2.gz AIBLYVYKAXGFIT-ZDUSSCGKSA-N -1 3 360.324 3.616 20 5 FHBDHM Cc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000822299673 599577767 /nfs/dbraw/zinc/57/77/67/599577767.db2.gz QOKIENQKRIDQNL-KRWDZBQOSA-N -1 3 364.409 3.733 20 5 FHBDHM Cc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000822299673 599577771 /nfs/dbraw/zinc/57/77/71/599577771.db2.gz QOKIENQKRIDQNL-KRWDZBQOSA-N -1 3 364.409 3.733 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823640060 606596025 /nfs/dbraw/zinc/59/60/25/606596025.db2.gz QSFWOTYPYDXZNW-UWVGGRQHSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823640060 606596027 /nfs/dbraw/zinc/59/60/27/606596027.db2.gz QSFWOTYPYDXZNW-UWVGGRQHSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cs1 ZINC000120083114 927136474 /nfs/dbraw/zinc/13/64/74/927136474.db2.gz MOKIUKCIPKFDQH-UHFFFAOYSA-N -1 3 353.208 3.764 20 5 FHBDHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000176438477 937163328 /nfs/dbraw/zinc/16/33/28/937163328.db2.gz ILTKAHQRJHZKLK-UHFFFAOYSA-N -1 3 351.156 3.624 20 5 FHBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c1 ZINC000578139194 928301700 /nfs/dbraw/zinc/30/17/00/928301700.db2.gz ACJBPTAOYMORJZ-UHFFFAOYSA-N -1 3 362.741 3.987 20 5 FHBDHM CSc1ccncc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610546064 932804795 /nfs/dbraw/zinc/80/47/95/932804795.db2.gz YMLDZUNQSXTYBV-UHFFFAOYSA-N -1 3 368.212 3.727 20 5 FHBDHM CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000583890151 938472162 /nfs/dbraw/zinc/47/21/62/938472162.db2.gz SQNKFPRBGLLUHO-UHFFFAOYSA-N -1 3 360.385 3.814 20 5 FHBDHM CCSc1ccc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188419637 939874088 /nfs/dbraw/zinc/87/40/88/939874088.db2.gz UPLMOVKSJFKYQI-UHFFFAOYSA-N -1 3 353.787 3.713 20 5 FHBDHM CN(c1ccccc1)c1ccc(CN2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000414637780 941421579 /nfs/dbraw/zinc/42/15/79/941421579.db2.gz MSOUZLDHHLZPPJ-UHFFFAOYSA-N -1 3 369.421 3.659 20 5 FHBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000014099916 942458455 /nfs/dbraw/zinc/45/84/55/942458455.db2.gz ANWOUBKGMYVQCY-MRXNPFEDSA-N -1 3 368.842 3.924 20 5 FHBDHM CC(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1[O-] ZINC000412381654 942981991 /nfs/dbraw/zinc/98/19/91/942981991.db2.gz UNHBJIDYLSBJOL-MRXNPFEDSA-N -1 3 368.389 3.523 20 5 FHBDHM CCOc1cc([N-]C(=O)c2c(C)noc2CC)c([N+](=O)[O-])cc1OCC ZINC000514720958 943247126 /nfs/dbraw/zinc/24/71/26/943247126.db2.gz HJFVGXUWTHTXBX-UHFFFAOYSA-N -1 3 363.370 3.503 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000515741402 944161184 /nfs/dbraw/zinc/16/11/84/944161184.db2.gz BLEWYKLXEQUABL-AWEZNQCLSA-N -1 3 372.805 3.817 20 5 FHBDHM CCCCOc1ccc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436828474 944675900 /nfs/dbraw/zinc/67/59/00/944675900.db2.gz HZVSUSFALORPCN-UHFFFAOYSA-N -1 3 372.421 3.794 20 5 FHBDHM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518789454 944770399 /nfs/dbraw/zinc/77/03/99/944770399.db2.gz UMVNPJMCCUICNV-UHFFFAOYSA-N -1 3 364.402 3.961 20 5 FHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(Cl)ccc1Cl ZINC000426815447 944837954 /nfs/dbraw/zinc/83/79/54/944837954.db2.gz FQGADBDITBHBCD-AWEZNQCLSA-N -1 3 369.204 3.687 20 5 FHBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000523416844 947247729 /nfs/dbraw/zinc/24/77/29/947247729.db2.gz FTZUZGFFXRXXBW-CQSZACIVSA-N -1 3 370.377 3.611 20 5 FHBDHM CC(C)CCSc1ccc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000021213466 947263917 /nfs/dbraw/zinc/26/39/17/947263917.db2.gz FVPUNLMMLNGLKJ-UHFFFAOYSA-N -1 3 352.441 3.837 20 5 FHBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541799899 567857173 /nfs/dbraw/zinc/85/71/73/567857173.db2.gz PFKVPGRRYGEESJ-UHFFFAOYSA-N -1 3 370.814 3.674 20 5 FHBDHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120352150 567891456 /nfs/dbraw/zinc/89/14/56/567891456.db2.gz FAJPZSMFCMZFKO-UHFFFAOYSA-N -1 3 374.809 3.943 20 5 FHBDHM O=C([O-])c1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(F)c1 ZINC000570583918 568495507 /nfs/dbraw/zinc/49/55/07/568495507.db2.gz OFPPJNSEGBBBAV-HNNXBMFYSA-N -1 3 358.369 3.812 20 5 FHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000822193474 599124536 /nfs/dbraw/zinc/12/45/36/599124536.db2.gz YXCOFWGCIVSIIH-LLVKDONJSA-N -1 3 356.411 3.640 20 5 FHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000822193474 599124537 /nfs/dbraw/zinc/12/45/37/599124537.db2.gz YXCOFWGCIVSIIH-LLVKDONJSA-N -1 3 356.411 3.640 20 5 FHBDHM CC(C)Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820108565 599230075 /nfs/dbraw/zinc/23/00/75/599230075.db2.gz NGGQVLCNQUOCQR-LBPRGKRZSA-N -1 3 367.413 3.542 20 5 FHBDHM CC(C)Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820108565 599230077 /nfs/dbraw/zinc/23/00/77/599230077.db2.gz NGGQVLCNQUOCQR-LBPRGKRZSA-N -1 3 367.413 3.542 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371962 598459880 /nfs/dbraw/zinc/45/98/80/598459880.db2.gz ZSPLOQWHVQZKHH-HNNXBMFYSA-N -1 3 364.409 3.549 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371962 598459881 /nfs/dbraw/zinc/45/98/81/598459881.db2.gz ZSPLOQWHVQZKHH-HNNXBMFYSA-N -1 3 364.409 3.549 20 5 FHBDHM C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736198145 598814419 /nfs/dbraw/zinc/81/44/19/598814419.db2.gz GOLLZAIOGIJNMX-JTQLQIEISA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736198145 598814420 /nfs/dbraw/zinc/81/44/20/598814420.db2.gz GOLLZAIOGIJNMX-JTQLQIEISA-N -1 3 358.789 3.626 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(CC(F)(F)F)cc1 ZINC000823629894 599580721 /nfs/dbraw/zinc/58/07/21/599580721.db2.gz KYYRMNDFSINRCK-UHFFFAOYSA-N -1 3 364.287 3.623 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(CC(F)(F)F)cc1 ZINC000823629894 599580723 /nfs/dbraw/zinc/58/07/23/599580723.db2.gz KYYRMNDFSINRCK-UHFFFAOYSA-N -1 3 364.287 3.623 20 5 FHBDHM O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823647456 606155719 /nfs/dbraw/zinc/15/57/19/606155719.db2.gz KBJLFZJADFUFJV-UHFFFAOYSA-N -1 3 350.363 3.565 20 5 FHBDHM O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823647456 606155721 /nfs/dbraw/zinc/15/57/21/606155721.db2.gz KBJLFZJADFUFJV-UHFFFAOYSA-N -1 3 350.363 3.565 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(-c4nnn[n-]4)s3)nc21 ZINC000823648421 606389968 /nfs/dbraw/zinc/38/99/68/606389968.db2.gz WTSFHDVWUUTGQA-VOTSOKGWSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823640062 606595855 /nfs/dbraw/zinc/59/58/55/606595855.db2.gz QSFWOTYPYDXZNW-ZJUUUORDSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823640062 606595856 /nfs/dbraw/zinc/59/58/56/606595856.db2.gz QSFWOTYPYDXZNW-ZJUUUORDSA-N -1 3 370.335 3.556 20 5 FHBDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000825352659 607974999 /nfs/dbraw/zinc/97/49/99/607974999.db2.gz OUMKNUOLYGCJTK-UHFFFAOYSA-N -1 3 363.381 3.510 20 5 FHBDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000825352659 607975000 /nfs/dbraw/zinc/97/50/00/607975000.db2.gz OUMKNUOLYGCJTK-UHFFFAOYSA-N -1 3 363.381 3.510 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3ccccc3)nc2)c(-c2nnn[n-]2)c1 ZINC000826499689 608797738 /nfs/dbraw/zinc/79/77/38/608797738.db2.gz SHMYJBGPDPGLQI-UHFFFAOYSA-N -1 3 360.333 3.629 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3ccccc3)nc2)c(-c2nn[n-]n2)c1 ZINC000826499689 608797739 /nfs/dbraw/zinc/79/77/39/608797739.db2.gz SHMYJBGPDPGLQI-UHFFFAOYSA-N -1 3 360.333 3.629 20 5 FHBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458403732 937173654 /nfs/dbraw/zinc/17/36/54/937173654.db2.gz CCOCDIPOKZGJQP-HNNXBMFYSA-N -1 3 373.384 3.529 20 5 FHBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134224921 930664198 /nfs/dbraw/zinc/66/41/98/930664198.db2.gz GUIQWRJHJQRECB-UHFFFAOYSA-N -1 3 354.284 3.891 20 5 FHBDHM CSc1ccncc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610960553 933010731 /nfs/dbraw/zinc/01/07/31/933010731.db2.gz QTWDRFHLHSDGTE-UHFFFAOYSA-N -1 3 357.313 3.983 20 5 FHBDHM COc1ccccc1-c1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000583923427 938487585 /nfs/dbraw/zinc/48/75/85/938487585.db2.gz LYHCJCQTDGITGY-UHFFFAOYSA-N -1 3 365.345 3.623 20 5 FHBDHM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000503082082 942965450 /nfs/dbraw/zinc/96/54/50/942965450.db2.gz FAYRLDSDXYCATN-OAHLLOKOSA-N -1 3 371.437 3.930 20 5 FHBDHM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000025741593 944452884 /nfs/dbraw/zinc/45/28/84/944452884.db2.gz VQGRRRYJCKJERI-UHFFFAOYSA-N -1 3 363.439 3.566 20 5 FHBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000820727424 945539532 /nfs/dbraw/zinc/53/95/32/945539532.db2.gz LYFDDGJSVRYHDA-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000820727424 945539536 /nfs/dbraw/zinc/53/95/36/945539536.db2.gz LYFDDGJSVRYHDA-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000820727423 945540152 /nfs/dbraw/zinc/54/01/52/945540152.db2.gz LYFDDGJSVRYHDA-DIFFPNOSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000820727423 945540164 /nfs/dbraw/zinc/54/01/64/945540164.db2.gz LYFDDGJSVRYHDA-DIFFPNOSSA-N -1 3 368.372 3.502 20 5 FHBDHM CCC(CC)c1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000475108126 946387291 /nfs/dbraw/zinc/38/72/91/946387291.db2.gz HPYBDNACRNUQBT-UHFFFAOYSA-N -1 3 350.400 3.611 20 5 FHBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000444967697 947376842 /nfs/dbraw/zinc/37/68/42/947376842.db2.gz RLBSHGQWBURFQX-UHFFFAOYSA-N -1 3 361.357 3.565 20 5 FHBDHM Cc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1C ZINC000436576817 567915200 /nfs/dbraw/zinc/91/52/00/567915200.db2.gz RKPMLWXYPMNLRX-UHFFFAOYSA-N -1 3 370.405 3.601 20 5 FHBDHM COc1ccc(-c2ocnc2C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000568552753 568050511 /nfs/dbraw/zinc/05/05/11/568050511.db2.gz CISBIZDDYBVPQJ-UHFFFAOYSA-N -1 3 369.333 3.519 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738357120 598972107 /nfs/dbraw/zinc/97/21/07/598972107.db2.gz BYIHBWHKRYOIAL-ZANVPECISA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000738357120 598972109 /nfs/dbraw/zinc/97/21/09/598972109.db2.gz BYIHBWHKRYOIAL-ZANVPECISA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1cnc(Sc2ccc(Cl)c(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000823651437 599078155 /nfs/dbraw/zinc/07/81/55/599078155.db2.gz JQIWMZJVHMUQDG-UHFFFAOYSA-N -1 3 369.193 3.628 20 5 FHBDHM COc1ccc(C=Cc2ccc3c(cccc3[N+](=O)[O-])n2)cc1-c1nnn[n-]1 ZINC000737082750 599153261 /nfs/dbraw/zinc/15/32/61/599153261.db2.gz YXFXRZLTVXNTES-ALCCZGGFSA-N -1 3 374.360 3.502 20 5 FHBDHM COc1ccc(C=Cc2ccc3c(cccc3[N+](=O)[O-])n2)cc1-c1nn[n-]n1 ZINC000737082750 599153264 /nfs/dbraw/zinc/15/32/64/599153264.db2.gz YXFXRZLTVXNTES-ALCCZGGFSA-N -1 3 374.360 3.502 20 5 FHBDHM CCOc1ccccc1[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736652831 598246499 /nfs/dbraw/zinc/24/64/99/598246499.db2.gz CCPPEZMNCMAYDL-OAHLLOKOSA-N -1 3 368.397 3.737 20 5 FHBDHM CCOc1ccccc1[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736652831 598246502 /nfs/dbraw/zinc/24/65/02/598246502.db2.gz CCPPEZMNCMAYDL-OAHLLOKOSA-N -1 3 368.397 3.737 20 5 FHBDHM Cc1c(CSCc2ccc(F)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737215298 598315105 /nfs/dbraw/zinc/31/51/05/598315105.db2.gz GPWSSHXHNPYSST-UHFFFAOYSA-N -1 3 359.386 3.656 20 5 FHBDHM Cc1c(CSCc2ccc(F)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737215298 598315106 /nfs/dbraw/zinc/31/51/06/598315106.db2.gz GPWSSHXHNPYSST-UHFFFAOYSA-N -1 3 359.386 3.656 20 5 FHBDHM O=[N+]([O-])c1cnc(Nc2cccc(-c3cccs3)c2)c(-c2nnn[n-]2)c1 ZINC000738374948 598501004 /nfs/dbraw/zinc/50/10/04/598501004.db2.gz UPFUHOHFBNMBRK-UHFFFAOYSA-N -1 3 365.378 3.642 20 5 FHBDHM O=[N+]([O-])c1cnc(Nc2cccc(-c3cccs3)c2)c(-c2nn[n-]n2)c1 ZINC000738374948 598501006 /nfs/dbraw/zinc/50/10/06/598501006.db2.gz UPFUHOHFBNMBRK-UHFFFAOYSA-N -1 3 365.378 3.642 20 5 FHBDHM Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000737419104 598756594 /nfs/dbraw/zinc/75/65/94/598756594.db2.gz CADFEECKKUMSTR-QGZVFWFLSA-N -1 3 352.398 3.893 20 5 FHBDHM Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000737419104 598756596 /nfs/dbraw/zinc/75/65/96/598756596.db2.gz CADFEECKKUMSTR-QGZVFWFLSA-N -1 3 352.398 3.893 20 5 FHBDHM COc1ccc([C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000821783133 599300147 /nfs/dbraw/zinc/30/01/47/599300147.db2.gz XKVMUIQBBGTQPI-QGZVFWFLSA-N -1 3 368.397 3.593 20 5 FHBDHM COc1ccc([C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000821783133 599300150 /nfs/dbraw/zinc/30/01/50/599300150.db2.gz XKVMUIQBBGTQPI-QGZVFWFLSA-N -1 3 368.397 3.593 20 5 FHBDHM C[C@H](SCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736188165 599326010 /nfs/dbraw/zinc/32/60/10/599326010.db2.gz HXUKZTGXAFWUHQ-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@H](SCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736188165 599326013 /nfs/dbraw/zinc/32/60/13/599326013.db2.gz HXUKZTGXAFWUHQ-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM Cc1c([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000829860371 604943295 /nfs/dbraw/zinc/94/32/95/604943295.db2.gz YBBVSNRNJJNYFY-AWEZNQCLSA-N -1 3 357.410 3.564 20 5 FHBDHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000822209843 606137590 /nfs/dbraw/zinc/13/75/90/606137590.db2.gz ZSRAUIOCYVOMHB-JTQLQIEISA-N -1 3 358.789 3.910 20 5 FHBDHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000822209843 606137592 /nfs/dbraw/zinc/13/75/92/606137592.db2.gz ZSRAUIOCYVOMHB-JTQLQIEISA-N -1 3 358.789 3.910 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nnn[n-]3)cc2Cl)c2ccccc21 ZINC000823645167 606802569 /nfs/dbraw/zinc/80/25/69/606802569.db2.gz OWNQHJCWFMKLKH-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ncc(-c3nn[n-]n3)cc2Cl)c2ccccc21 ZINC000823645167 606802571 /nfs/dbraw/zinc/80/25/71/606802571.db2.gz OWNQHJCWFMKLKH-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000826499237 607934607 /nfs/dbraw/zinc/93/46/07/607934607.db2.gz ANBVJNMZFSMZDV-UHFFFAOYSA-N -1 3 369.234 3.725 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2F)cc1C(F)(F)F ZINC000826499237 607934608 /nfs/dbraw/zinc/93/46/08/607934608.db2.gz ANBVJNMZFSMZDV-UHFFFAOYSA-N -1 3 369.234 3.725 20 5 FHBDHM CC[C@@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C1CC1 ZINC000825081409 608098692 /nfs/dbraw/zinc/09/86/92/608098692.db2.gz IUEAUVOQKUIALD-SNVBAGLBSA-N -1 3 368.401 3.563 20 5 FHBDHM CC[C@@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C1CC1 ZINC000825081409 608098693 /nfs/dbraw/zinc/09/86/93/608098693.db2.gz IUEAUVOQKUIALD-SNVBAGLBSA-N -1 3 368.401 3.563 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc(-c2ccccc2)nc1 ZINC000826497905 608797877 /nfs/dbraw/zinc/79/78/77/608797877.db2.gz YGLLNTPFGXUGBC-UHFFFAOYSA-N -1 3 360.333 3.629 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc(-c2ccccc2)nc1 ZINC000826497905 608797878 /nfs/dbraw/zinc/79/78/78/608797878.db2.gz YGLLNTPFGXUGBC-UHFFFAOYSA-N -1 3 360.333 3.629 20 5 FHBDHM O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826498377 609444888 /nfs/dbraw/zinc/44/48/88/609444888.db2.gz SEAJKEBLRGMXAS-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826498377 609444891 /nfs/dbraw/zinc/44/48/91/609444891.db2.gz SEAJKEBLRGMXAS-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826498302 609450061 /nfs/dbraw/zinc/45/00/61/609450061.db2.gz OTUQHHLIIJDKBD-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826498302 609450064 /nfs/dbraw/zinc/45/00/64/609450064.db2.gz OTUQHHLIIJDKBD-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000134908338 929611143 /nfs/dbraw/zinc/61/11/43/929611143.db2.gz ASCMVLMIOPFEOJ-UHFFFAOYSA-N -1 3 357.757 3.594 20 5 FHBDHM COc1ccc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)cc1[N+](=O)[O-] ZINC001266541195 929917674 /nfs/dbraw/zinc/91/76/74/929917674.db2.gz AQFQXLGSPCZQHQ-UHFFFAOYSA-N -1 3 353.281 3.659 20 5 FHBDHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000098068700 937377168 /nfs/dbraw/zinc/37/71/68/937377168.db2.gz JMDCJFHDBRJZHZ-UHFFFAOYSA-N -1 3 374.422 3.569 20 5 FHBDHM CCOc1cc([N-]C(=O)c2cc(F)ccc2F)c([N+](=O)[O-])cc1OCC ZINC000119115076 930701980 /nfs/dbraw/zinc/70/19/80/930701980.db2.gz MJYFHRKIDQURPE-UHFFFAOYSA-N -1 3 366.320 3.923 20 5 FHBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000610389813 932009834 /nfs/dbraw/zinc/00/98/34/932009834.db2.gz YGWPCVCEIOJFDI-AWEZNQCLSA-N -1 3 354.406 3.956 20 5 FHBDHM O=C([N-]c1ccccc1SCC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000610769437 934138544 /nfs/dbraw/zinc/13/85/44/934138544.db2.gz MSKQGLZKYVXHBI-UHFFFAOYSA-N -1 3 357.313 3.897 20 5 FHBDHM CCN(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)c1ccco1 ZINC000582847369 936212564 /nfs/dbraw/zinc/21/25/64/936212564.db2.gz LPOAKLWFZMCCAA-HNNXBMFYSA-N -1 3 361.398 3.689 20 5 FHBDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728591452 938935547 /nfs/dbraw/zinc/93/55/47/938935547.db2.gz BYHOOOXUYMXOQR-UHFFFAOYSA-N -1 3 372.805 3.601 20 5 FHBDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000613248321 940493057 /nfs/dbraw/zinc/49/30/57/940493057.db2.gz NDYHWHPLICSVEZ-UHFFFAOYSA-N -1 3 354.391 3.598 20 5 FHBDHM O=C(Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000438108288 944346342 /nfs/dbraw/zinc/34/63/42/944346342.db2.gz YUNPDRDKCSWUAX-UHFFFAOYSA-N -1 3 374.360 3.627 20 5 FHBDHM O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000438108288 944346349 /nfs/dbraw/zinc/34/63/49/944346349.db2.gz YUNPDRDKCSWUAX-UHFFFAOYSA-N -1 3 374.360 3.627 20 5 FHBDHM O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000438108288 944346358 /nfs/dbraw/zinc/34/63/58/944346358.db2.gz YUNPDRDKCSWUAX-UHFFFAOYSA-N -1 3 374.360 3.627 20 5 FHBDHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000426736767 944748865 /nfs/dbraw/zinc/74/88/65/944748865.db2.gz ZAPBLERTDDJEPT-KRWDZBQOSA-N -1 3 358.394 3.608 20 5 FHBDHM CC(C)(C)Oc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000824120107 946595788 /nfs/dbraw/zinc/59/57/88/946595788.db2.gz YNYYNPSHFCLJSS-UHFFFAOYSA-N -1 3 368.397 3.564 20 5 FHBDHM CC(C)(C)Oc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000824120107 946595796 /nfs/dbraw/zinc/59/57/96/946595796.db2.gz YNYYNPSHFCLJSS-UHFFFAOYSA-N -1 3 368.397 3.564 20 5 FHBDHM Cc1ccc2[nH]c([C@H]3CCCN(Cc4cc([O-])ccc4[N+](=O)[O-])C3)nc2c1 ZINC000429693104 947215037 /nfs/dbraw/zinc/21/50/37/947215037.db2.gz YFLLLZJEDHPEDH-AWEZNQCLSA-N -1 3 366.421 3.865 20 5 FHBDHM Cc1ccc2nc([C@H]3CCCN(Cc4cc([O-])ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000429693104 947215048 /nfs/dbraw/zinc/21/50/48/947215048.db2.gz YFLLLZJEDHPEDH-AWEZNQCLSA-N -1 3 366.421 3.865 20 5 FHBDHM O=C([N-]c1nc(-c2cccc3ccccc32)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000126780598 947388323 /nfs/dbraw/zinc/38/83/23/947388323.db2.gz CTEPDFBLPMKRFC-UHFFFAOYSA-N -1 3 365.374 3.847 20 5 FHBDHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000482104544 568274912 /nfs/dbraw/zinc/27/49/12/568274912.db2.gz OOIRPOXPVQGVAE-OAHLLOKOSA-N -1 3 354.453 3.640 20 5 FHBDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820669219 599060356 /nfs/dbraw/zinc/06/03/56/599060356.db2.gz ZXPMPUPJRUJVGI-BDJLRTHQSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820669219 599060359 /nfs/dbraw/zinc/06/03/59/599060359.db2.gz ZXPMPUPJRUJVGI-BDJLRTHQSA-N -1 3 368.372 3.502 20 5 FHBDHM CC(C)N(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000735859546 598522845 /nfs/dbraw/zinc/52/28/45/598522845.db2.gz WEMTUOAKZXLXKB-UHFFFAOYSA-N -1 3 371.376 3.502 20 5 FHBDHM CC(C)N(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000735859546 598522846 /nfs/dbraw/zinc/52/28/46/598522846.db2.gz WEMTUOAKZXLXKB-UHFFFAOYSA-N -1 3 371.376 3.502 20 5 FHBDHM Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(C)C ZINC000737419103 598756502 /nfs/dbraw/zinc/75/65/02/598756502.db2.gz CADFEECKKUMSTR-KRWDZBQOSA-N -1 3 352.398 3.893 20 5 FHBDHM Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(C)C ZINC000737419103 598756504 /nfs/dbraw/zinc/75/65/04/598756504.db2.gz CADFEECKKUMSTR-KRWDZBQOSA-N -1 3 352.398 3.893 20 5 FHBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823634788 599317220 /nfs/dbraw/zinc/31/72/20/599317220.db2.gz MCOKSSHJMWAOSL-UHFFFAOYSA-N -1 3 352.137 3.874 20 5 FHBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823634788 599317221 /nfs/dbraw/zinc/31/72/21/599317221.db2.gz MCOKSSHJMWAOSL-UHFFFAOYSA-N -1 3 352.137 3.874 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823645986 606339809 /nfs/dbraw/zinc/33/98/09/606339809.db2.gz YZLFQRGSBYCJLG-GHXNOFRVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823645986 606339810 /nfs/dbraw/zinc/33/98/10/606339810.db2.gz YZLFQRGSBYCJLG-GHXNOFRVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823639850 606801456 /nfs/dbraw/zinc/80/14/56/606801456.db2.gz JBAXRZZOEHVLBO-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823639850 606801457 /nfs/dbraw/zinc/80/14/57/606801457.db2.gz JBAXRZZOEHVLBO-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccccc2-c2nnn[n-]2)c2ccncc2)cc1 ZINC000826498532 607884519 /nfs/dbraw/zinc/88/45/19/607884519.db2.gz ZOXNWPLLRMCPOE-CPNJWEJPSA-N -1 3 370.372 3.759 20 5 FHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccccc2-c2nn[n-]n2)c2ccncc2)cc1 ZINC000826498532 607884520 /nfs/dbraw/zinc/88/45/20/607884520.db2.gz ZOXNWPLLRMCPOE-CPNJWEJPSA-N -1 3 370.372 3.759 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(F)c(-c4nnn[n-]4)c3)ccc21 ZINC000826500351 608878016 /nfs/dbraw/zinc/87/80/16/608878016.db2.gz VKDPBKZHZZKJGC-GQCTYLIASA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC000826500351 608878018 /nfs/dbraw/zinc/87/80/18/608878018.db2.gz VKDPBKZHZZKJGC-GQCTYLIASA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCSc2c(F)cccc21 ZINC000826497679 609601441 /nfs/dbraw/zinc/60/14/41/609601441.db2.gz PTEOLMADANYBFD-LBPRGKRZSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCSc2c(F)cccc21 ZINC000826497679 609601443 /nfs/dbraw/zinc/60/14/43/609601443.db2.gz PTEOLMADANYBFD-LBPRGKRZSA-N -1 3 372.385 3.563 20 5 FHBDHM CCc1cc2c(CSc3ccc([N+](=O)[O-])cn3)cc(=O)oc2cc1[O-] ZINC000160207485 927285274 /nfs/dbraw/zinc/28/52/74/927285274.db2.gz XSNQNKOBTHWCTB-UHFFFAOYSA-N -1 3 358.375 3.657 20 5 FHBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725824552 938676697 /nfs/dbraw/zinc/67/66/97/938676697.db2.gz XIIZILFMAPGKMV-NSHDSACASA-N -1 3 354.815 3.596 20 5 FHBDHM COC(=O)c1cc([N-]C(=O)c2cc3cc(F)ccc3o2)cc([N+](=O)[O-])c1 ZINC000136151905 939008667 /nfs/dbraw/zinc/00/86/67/939008667.db2.gz IWLDQZHIAQKDTO-UHFFFAOYSA-N -1 3 358.281 3.519 20 5 FHBDHM C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2c([O-])cccc21 ZINC000186328458 946923289 /nfs/dbraw/zinc/92/32/89/946923289.db2.gz MMZXTEJLRQQXMG-NSHDSACASA-N -1 3 351.362 3.936 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826497532 948411836 /nfs/dbraw/zinc/41/18/36/948411836.db2.gz KKFCOFMULVUYDV-UHFFFAOYSA-N -1 3 353.816 3.782 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826497532 948411840 /nfs/dbraw/zinc/41/18/40/948411840.db2.gz KKFCOFMULVUYDV-UHFFFAOYSA-N -1 3 353.816 3.782 20 5 FHBDHM CCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c([O-])c1 ZINC000570244524 568466046 /nfs/dbraw/zinc/46/60/46/568466046.db2.gz BBYGAECEZBFICW-UHFFFAOYSA-N -1 3 355.350 3.512 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000736368660 598975181 /nfs/dbraw/zinc/97/51/81/598975181.db2.gz ICCTYTJBJMIUDQ-CYBMUJFWSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000736368660 598975183 /nfs/dbraw/zinc/97/51/83/598975183.db2.gz ICCTYTJBJMIUDQ-CYBMUJFWSA-N -1 3 360.324 3.616 20 5 FHBDHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820667097 599077379 /nfs/dbraw/zinc/07/73/79/599077379.db2.gz LBHLZFHTEKSKLW-BZNIZROVSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820667097 599077382 /nfs/dbraw/zinc/07/73/82/599077382.db2.gz LBHLZFHTEKSKLW-BZNIZROVSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136604 598536428 /nfs/dbraw/zinc/53/64/28/598536428.db2.gz HYNADDUHDWHTOQ-SECBINFHSA-N -1 3 367.394 3.558 20 5 FHBDHM C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136604 598536429 /nfs/dbraw/zinc/53/64/29/598536429.db2.gz HYNADDUHDWHTOQ-SECBINFHSA-N -1 3 367.394 3.558 20 5 FHBDHM C[C@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736199367 598814284 /nfs/dbraw/zinc/81/42/84/598814284.db2.gz XNGWKELGZLTDKP-LLVKDONJSA-N -1 3 364.365 3.719 20 5 FHBDHM C[C@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736199367 598814286 /nfs/dbraw/zinc/81/42/86/598814286.db2.gz XNGWKELGZLTDKP-LLVKDONJSA-N -1 3 364.365 3.719 20 5 FHBDHM CC[C@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C1CC1 ZINC000825080725 608098433 /nfs/dbraw/zinc/09/84/33/608098433.db2.gz BRDOIHDQNMZEQS-JTQLQIEISA-N -1 3 368.401 3.563 20 5 FHBDHM CC[C@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C1CC1 ZINC000825080725 608098434 /nfs/dbraw/zinc/09/84/34/608098434.db2.gz BRDOIHDQNMZEQS-JTQLQIEISA-N -1 3 368.401 3.563 20 5 FHBDHM CC[C@H](C)n1ncc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C1CC1 ZINC000825081407 608098541 /nfs/dbraw/zinc/09/85/41/608098541.db2.gz IUEAUVOQKUIALD-JTQLQIEISA-N -1 3 368.401 3.563 20 5 FHBDHM CC[C@H](C)n1ncc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C1CC1 ZINC000825081407 608098542 /nfs/dbraw/zinc/09/85/42/608098542.db2.gz IUEAUVOQKUIALD-JTQLQIEISA-N -1 3 368.401 3.563 20 5 FHBDHM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)s1 ZINC000134035373 929730232 /nfs/dbraw/zinc/73/02/32/929730232.db2.gz AOQIMPFADHSQMR-UHFFFAOYSA-N -1 3 352.441 3.755 20 5 FHBDHM COC(=O)c1cc([N-]C(=O)c2cc(C)oc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000471835244 933085085 /nfs/dbraw/zinc/08/50/85/933085085.db2.gz GPCIVHVNLDEZEC-UHFFFAOYSA-N -1 3 372.255 3.554 20 5 FHBDHM Cc1ocnc1C(=O)[N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188977457 941137624 /nfs/dbraw/zinc/13/76/24/941137624.db2.gz QYJYOEUZVUNSDZ-UHFFFAOYSA-N -1 3 353.334 3.723 20 5 FHBDHM O=[N+]([O-])c1cnc([N-]c2cnn(CC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000413137584 942337303 /nfs/dbraw/zinc/33/73/03/942337303.db2.gz AXZBIUVGTPGJOZ-UHFFFAOYSA-N -1 3 355.198 3.511 20 5 FHBDHM O=c1[n-]c(CSc2ncccc2[N+](=O)[O-])nc2c3ccccc3oc21 ZINC000502820368 942775517 /nfs/dbraw/zinc/77/55/17/942775517.db2.gz XPHMNJFNBNTWDA-UHFFFAOYSA-N -1 3 354.347 3.677 20 5 FHBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2Oc2ccccc2)n1 ZINC000503036964 942930168 /nfs/dbraw/zinc/93/01/68/942930168.db2.gz ZALSETIQXAMYOE-UHFFFAOYSA-N -1 3 356.313 3.512 20 5 FHBDHM Cc1cccc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000106703417 945370087 /nfs/dbraw/zinc/37/00/87/945370087.db2.gz CAXRFHAVDUURBU-UHFFFAOYSA-N -1 3 372.381 3.737 20 5 FHBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506818808 945397532 /nfs/dbraw/zinc/39/75/32/945397532.db2.gz YKRMIGCLKFHCBN-UHFFFAOYSA-N -1 3 354.815 3.541 20 5 FHBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000121495927 947225285 /nfs/dbraw/zinc/22/52/85/947225285.db2.gz VLYAXBBQQOJXIV-UHFFFAOYSA-N -1 3 369.406 3.663 20 5 FHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000523415927 947245035 /nfs/dbraw/zinc/24/50/35/947245035.db2.gz UZLQNJIHDCNPGC-CQSZACIVSA-N -1 3 370.377 3.611 20 5 FHBDHM CC(C)(C)c1nc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2s1 ZINC000445004367 947426808 /nfs/dbraw/zinc/42/68/08/947426808.db2.gz GLTBGGBJGZOWGK-UHFFFAOYSA-N -1 3 372.406 3.855 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCc1ccccc1)CC(=O)[O-] ZINC000568404468 568030922 /nfs/dbraw/zinc/03/09/22/568030922.db2.gz SZHLJCDWAQWVQX-UHFFFAOYSA-N -1 3 372.421 3.511 20 5 FHBDHM CC(C)(C)c1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1 ZINC000159354024 568184327 /nfs/dbraw/zinc/18/43/27/568184327.db2.gz IHPGECFEYNYNMM-UHFFFAOYSA-N -1 3 371.422 3.991 20 5 FHBDHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303745546 568280943 /nfs/dbraw/zinc/28/09/43/568280943.db2.gz AKDXVXYGUPNLNM-LBPRGKRZSA-N -1 3 368.842 3.639 20 5 FHBDHM CCCCOc1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000436675283 568286439 /nfs/dbraw/zinc/28/64/39/568286439.db2.gz KLOINSFATJRIMY-UHFFFAOYSA-N -1 3 372.421 3.794 20 5 FHBDHM Cc1cc(C)c(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)c(C)c1 ZINC000569141538 568290565 /nfs/dbraw/zinc/29/05/65/568290565.db2.gz JVTGAVVMOIZZMT-UHFFFAOYSA-N -1 3 357.395 3.619 20 5 FHBDHM O=C(Nc1c([O-])cccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000569951214 568444111 /nfs/dbraw/zinc/44/41/11/568444111.db2.gz YLZMKMAFCNKGJK-UHFFFAOYSA-N -1 3 361.785 3.806 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371913 598972178 /nfs/dbraw/zinc/97/21/78/598972178.db2.gz YTYLWSKEPFOQHZ-YMTOWFKASA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371913 598972180 /nfs/dbraw/zinc/97/21/80/598972180.db2.gz YTYLWSKEPFOQHZ-YMTOWFKASA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371909 598972318 /nfs/dbraw/zinc/97/23/18/598972318.db2.gz YTYLWSKEPFOQHZ-XPTSAGLGSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371909 598972320 /nfs/dbraw/zinc/97/23/20/598972320.db2.gz YTYLWSKEPFOQHZ-XPTSAGLGSA-N -1 3 374.763 3.535 20 5 FHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820925809 599095528 /nfs/dbraw/zinc/09/55/28/599095528.db2.gz MYAOBCVNIBMWLX-CQSZACIVSA-N -1 3 358.789 3.992 20 5 FHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820925809 599095531 /nfs/dbraw/zinc/09/55/31/599095531.db2.gz MYAOBCVNIBMWLX-CQSZACIVSA-N -1 3 358.789 3.992 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1ccccc1-c1nnn[n-]1 ZINC000735914339 599109154 /nfs/dbraw/zinc/10/91/54/599109154.db2.gz WYCQPGQSQADIMM-UHFFFAOYSA-N -1 3 371.422 3.854 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1ccccc1-c1nn[n-]n1 ZINC000735914339 599109156 /nfs/dbraw/zinc/10/91/56/599109156.db2.gz WYCQPGQSQADIMM-UHFFFAOYSA-N -1 3 371.422 3.854 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccc(F)cc2)C2CCC2)c(-c2nnn[n-]2)c1 ZINC000738368348 598796883 /nfs/dbraw/zinc/79/68/83/598796883.db2.gz COSPBWQXXUWLTO-QGZVFWFLSA-N -1 3 368.372 3.867 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccc(F)cc2)C2CCC2)c(-c2nn[n-]n2)c1 ZINC000738368348 598796885 /nfs/dbraw/zinc/79/68/85/598796885.db2.gz COSPBWQXXUWLTO-QGZVFWFLSA-N -1 3 368.372 3.867 20 5 FHBDHM C[C@@H](SCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188610 599325861 /nfs/dbraw/zinc/32/58/61/599325861.db2.gz LQUMKNKMSWRKGK-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@@H](SCCOc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188610 599325863 /nfs/dbraw/zinc/32/58/63/599325863.db2.gz LQUMKNKMSWRKGK-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cccc(NC2CCCC2)c1 ZINC000738358483 599351381 /nfs/dbraw/zinc/35/13/81/599351381.db2.gz MLDDODXBKIWAJE-UHFFFAOYSA-N -1 3 365.397 3.873 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cccc(NC2CCCC2)c1 ZINC000738358483 599351382 /nfs/dbraw/zinc/35/13/82/599351382.db2.gz MLDDODXBKIWAJE-UHFFFAOYSA-N -1 3 365.397 3.873 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736367313 599528167 /nfs/dbraw/zinc/52/81/67/599528167.db2.gz AIBLYVYKAXGFIT-CYBMUJFWSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000736367313 599528169 /nfs/dbraw/zinc/52/81/69/599528169.db2.gz AIBLYVYKAXGFIT-CYBMUJFWSA-N -1 3 360.324 3.616 20 5 FHBDHM Cc1c(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000738289732 599791604 /nfs/dbraw/zinc/79/16/04/599791604.db2.gz SYMZQYLKWMGAHB-OAHLLOKOSA-N -1 3 368.311 3.838 20 5 FHBDHM C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000833629292 604668919 /nfs/dbraw/zinc/66/89/19/604668919.db2.gz HEIJXEDDJZKFBE-BLLLJJGKSA-N -1 3 374.368 3.679 20 5 FHBDHM Cc1ccc([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000830256912 604943429 /nfs/dbraw/zinc/94/34/29/604943429.db2.gz NPJMHTTZKPIQQA-CQSZACIVSA-N -1 3 357.410 3.564 20 5 FHBDHM O=C([O-])NC1CCC(N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834164144 605617849 /nfs/dbraw/zinc/61/78/49/605617849.db2.gz GDRPAHZVJUAVCA-FAFZWHIHSA-N -1 3 369.421 3.853 20 5 FHBDHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000822209844 606137422 /nfs/dbraw/zinc/13/74/22/606137422.db2.gz ZSRAUIOCYVOMHB-SNVBAGLBSA-N -1 3 358.789 3.910 20 5 FHBDHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000822209844 606137423 /nfs/dbraw/zinc/13/74/23/606137423.db2.gz ZSRAUIOCYVOMHB-SNVBAGLBSA-N -1 3 358.789 3.910 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)ccc21 ZINC000823646829 606305332 /nfs/dbraw/zinc/30/53/32/606305332.db2.gz AZRKWKMTTRBBAV-GQCTYLIASA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)ccc21 ZINC000823646829 606305334 /nfs/dbraw/zinc/30/53/34/606305334.db2.gz AZRKWKMTTRBBAV-GQCTYLIASA-N -1 3 350.363 3.555 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926631 606479375 /nfs/dbraw/zinc/47/93/75/606479375.db2.gz UIYHHOZRNRXTGP-HNNXBMFYSA-N -1 3 358.789 3.992 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926631 606479377 /nfs/dbraw/zinc/47/93/77/606479377.db2.gz UIYHHOZRNRXTGP-HNNXBMFYSA-N -1 3 358.789 3.992 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823629910 606596188 /nfs/dbraw/zinc/59/61/88/606596188.db2.gz LOVBGPLVEBZNLL-MWLCHTKSSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823629910 606596190 /nfs/dbraw/zinc/59/61/90/606596190.db2.gz LOVBGPLVEBZNLL-MWLCHTKSSA-N -1 3 370.335 3.556 20 5 FHBDHM CC(C)(C)CCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824087589 608162482 /nfs/dbraw/zinc/16/24/82/608162482.db2.gz YHOKCDIGKBGXLF-UHFFFAOYSA-N -1 3 366.809 3.583 20 5 FHBDHM CC(C)(C)CCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824087589 608162483 /nfs/dbraw/zinc/16/24/83/608162483.db2.gz YHOKCDIGKBGXLF-UHFFFAOYSA-N -1 3 366.809 3.583 20 5 FHBDHM CCc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000187904673 937137544 /nfs/dbraw/zinc/13/75/44/937137544.db2.gz IOWFGQFHAAGRBH-UHFFFAOYSA-N -1 3 370.405 3.546 20 5 FHBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609042227 928971360 /nfs/dbraw/zinc/97/13/60/928971360.db2.gz RFHLXISTPBTCEQ-ZDUSSCGKSA-N -1 3 368.842 3.548 20 5 FHBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1cccc(F)c1 ZINC000055582603 930306157 /nfs/dbraw/zinc/30/61/57/930306157.db2.gz RQKOXBQLMSDKSF-UHFFFAOYSA-N -1 3 361.354 3.935 20 5 FHBDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001211552364 935894844 /nfs/dbraw/zinc/89/48/44/935894844.db2.gz GUNRESDMRNXMOC-UHFFFAOYSA-N -1 3 368.377 3.574 20 5 FHBDHM Cc1ccc(SCC(F)(F)F)c([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000548747997 935915023 /nfs/dbraw/zinc/91/50/23/935915023.db2.gz SDPXQMAFDLRGJL-UHFFFAOYSA-N -1 3 360.317 3.533 20 5 FHBDHM CC1(C)CCC(C)([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001213391127 938336818 /nfs/dbraw/zinc/33/68/18/938336818.db2.gz IMHBGUCUDYHQBA-UHFFFAOYSA-N -1 3 360.863 3.885 20 5 FHBDHM CC(C)(C)c1ccc(-c2cc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])on2)cc1 ZINC000549185602 941608299 /nfs/dbraw/zinc/60/82/99/941608299.db2.gz YMJGVKFVRSIKMA-UHFFFAOYSA-N -1 3 355.354 3.523 20 5 FHBDHM O=[N+]([O-])c1cc(CNCc2c(F)ccc([O-])c2F)cc(C(F)(F)F)c1 ZINC000513290573 941831721 /nfs/dbraw/zinc/83/17/21/941831721.db2.gz ATUDOZIQUQHJGT-UHFFFAOYSA-N -1 3 362.254 3.887 20 5 FHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCc2sccc21 ZINC000434255714 942551239 /nfs/dbraw/zinc/55/12/39/942551239.db2.gz WMYPKDSFWMNZDZ-CQSZACIVSA-N -1 3 368.418 3.527 20 5 FHBDHM COc1ccc2c(c1)nc(-c1cc(OC)c([O-])cc1[N+](=O)[O-])n2CC1CC1 ZINC000436949054 944837059 /nfs/dbraw/zinc/83/70/59/944837059.db2.gz LHSYLIBQNWREMA-UHFFFAOYSA-N -1 3 369.377 3.744 20 5 FHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC000281295610 945590573 /nfs/dbraw/zinc/59/05/73/945590573.db2.gz IOJLNIRXHMMIQW-UHFFFAOYSA-N -1 3 363.370 3.549 20 5 FHBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3)c(C)s2)c1[N+](=O)[O-] ZINC000609473305 568220735 /nfs/dbraw/zinc/22/07/35/568220735.db2.gz VEVMKMOZMJVIOY-UHFFFAOYSA-N -1 3 371.422 3.955 20 5 FHBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000570454148 568478166 /nfs/dbraw/zinc/47/81/66/568478166.db2.gz UKULERMXRBHBRO-LBPRGKRZSA-N -1 3 364.365 3.652 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738357117 598972026 /nfs/dbraw/zinc/97/20/26/598972026.db2.gz BYIHBWHKRYOIAL-NOZJJQNGSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738357117 598972028 /nfs/dbraw/zinc/97/20/28/598972028.db2.gz BYIHBWHKRYOIAL-NOZJJQNGSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nnn[n-]4)cc3F)sc2c1 ZINC000823643783 599058949 /nfs/dbraw/zinc/05/89/49/599058949.db2.gz ASMOXMMYIHMCTQ-UHFFFAOYSA-N -1 3 374.382 3.675 20 5 FHBDHM O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nn[n-]n4)cc3F)sc2c1 ZINC000823643783 599058952 /nfs/dbraw/zinc/05/89/52/599058952.db2.gz ASMOXMMYIHMCTQ-UHFFFAOYSA-N -1 3 374.382 3.675 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cccc(CC(F)(F)F)c1 ZINC000823629914 599085994 /nfs/dbraw/zinc/08/59/94/599085994.db2.gz LRHATYKYWZLIOG-UHFFFAOYSA-N -1 3 364.287 3.623 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cccc(CC(F)(F)F)c1 ZINC000823629914 599085997 /nfs/dbraw/zinc/08/59/97/599085997.db2.gz LRHATYKYWZLIOG-UHFFFAOYSA-N -1 3 364.287 3.623 20 5 FHBDHM O=[N+]([O-])c1cnc(SCc2cccc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738374981 598501450 /nfs/dbraw/zinc/50/14/50/598501450.db2.gz WNWSFVPMRLLEJS-UHFFFAOYSA-N -1 3 364.390 3.615 20 5 FHBDHM C[C@H](SCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191001 599328613 /nfs/dbraw/zinc/32/86/13/599328613.db2.gz VCSUQICBNRXXRU-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@H](SCCOc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191001 599328615 /nfs/dbraw/zinc/32/86/15/599328615.db2.gz VCSUQICBNRXXRU-LBPRGKRZSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000833629295 604669194 /nfs/dbraw/zinc/66/91/94/604669194.db2.gz HEIJXEDDJZKFBE-WBMJQRKESA-N -1 3 374.368 3.679 20 5 FHBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000830427463 604943119 /nfs/dbraw/zinc/94/31/19/604943119.db2.gz ILJHWVPYPGEUBW-AWEZNQCLSA-N -1 3 357.410 3.564 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826499613 607884050 /nfs/dbraw/zinc/88/40/50/607884050.db2.gz PUUHCXLVUKYAQS-YVMONPNESA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826499613 607884051 /nfs/dbraw/zinc/88/40/51/607884051.db2.gz PUUHCXLVUKYAQS-YVMONPNESA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000826499480 608180293 /nfs/dbraw/zinc/18/02/93/608180293.db2.gz KCRZNXOWBPFKLP-UHFFFAOYSA-N -1 3 365.321 3.528 20 5 FHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000826499480 608180295 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HUBJLRTZEOVJRI-INIZCTEOSA-N -1 3 364.409 3.998 20 5 FHBDHM CC(C)c1ccc2c(c1)[C@@H](Nc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001574416782 948760614 /nfs/dbraw/zinc/76/06/14/948760614.db2.gz HUBJLRTZEOVJRI-INIZCTEOSA-N -1 3 364.409 3.998 20 5 FHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(F)c(F)cc1F ZINC000128628913 568092618 /nfs/dbraw/zinc/09/26/18/568092618.db2.gz IANXBSAMUMCFLN-UHFFFAOYSA-N -1 3 362.210 3.866 20 5 FHBDHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000482047067 568238338 /nfs/dbraw/zinc/23/83/38/568238338.db2.gz VVEIBOFVYLYYJC-UHFFFAOYSA-N -1 3 366.826 3.524 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738360823 598796975 /nfs/dbraw/zinc/79/69/75/598796975.db2.gz ZJAAPHVQADWECU-QGZVFWFLSA-N -1 3 368.372 3.867 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000738360823 598796977 /nfs/dbraw/zinc/79/69/77/598796977.db2.gz ZJAAPHVQADWECU-QGZVFWFLSA-N -1 3 368.372 3.867 20 5 FHBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000822130463 599387254 /nfs/dbraw/zinc/38/72/54/599387254.db2.gz TYVGJKODGCYAAM-UHFFFAOYSA-N -1 3 359.773 3.624 20 5 FHBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000736140004 599440593 /nfs/dbraw/zinc/44/05/93/599440593.db2.gz SVTFVUUKDUYNTE-MRVPVSSYSA-N -1 3 362.752 3.741 20 5 FHBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000736140004 599440597 /nfs/dbraw/zinc/44/05/97/599440597.db2.gz SVTFVUUKDUYNTE-MRVPVSSYSA-N -1 3 362.752 3.741 20 5 FHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736369347 599528432 /nfs/dbraw/zinc/52/84/32/599528432.db2.gz KSYNJKZFDQTFAQ-CQSZACIVSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736369347 599528433 /nfs/dbraw/zinc/52/84/33/599528433.db2.gz KSYNJKZFDQTFAQ-CQSZACIVSA-N -1 3 360.324 3.616 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000823647981 607457529 /nfs/dbraw/zinc/45/75/29/607457529.db2.gz RGQFPHIGLKZBIN-VOTSOKGWSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000823647981 607457531 /nfs/dbraw/zinc/45/75/31/607457531.db2.gz RGQFPHIGLKZBIN-VOTSOKGWSA-N -1 3 362.324 3.633 20 5 FHBDHM Cc1ccc([C@@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000832920788 601267711 /nfs/dbraw/zinc/26/77/11/601267711.db2.gz GWNVZRWXUVJQCH-OAHLLOKOSA-N -1 3 372.421 3.834 20 5 FHBDHM CN(CC(=O)[O-])Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000833691864 604540653 /nfs/dbraw/zinc/54/06/53/604540653.db2.gz RWWBNGQQJNDCBU-UHFFFAOYSA-N -1 3 350.758 3.557 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000823640117 606046502 /nfs/dbraw/zinc/04/65/02/606046502.db2.gz UAAFLWJKCJYJNA-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000823640117 606046508 /nfs/dbraw/zinc/04/65/08/606046508.db2.gz UAAFLWJKCJYJNA-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820460955 606422290 /nfs/dbraw/zinc/42/22/90/606422290.db2.gz CURHMQORDVMNOY-MRVPVSSYSA-N -1 3 362.752 3.741 20 5 FHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820460955 606422292 /nfs/dbraw/zinc/42/22/92/606422292.db2.gz CURHMQORDVMNOY-MRVPVSSYSA-N -1 3 362.752 3.741 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000820925127 606644735 /nfs/dbraw/zinc/64/47/35/606644735.db2.gz DSGGHZSRCGOBSO-AWEZNQCLSA-N -1 3 358.789 3.992 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC000823635184 606852392 /nfs/dbraw/zinc/85/23/92/606852392.db2.gz RQUIEUBXQRETHZ-UHFFFAOYSA-N -1 3 353.816 3.782 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC000823635184 606852393 /nfs/dbraw/zinc/85/23/93/606852393.db2.gz RQUIEUBXQRETHZ-UHFFFAOYSA-N -1 3 353.816 3.782 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826499612 607883863 /nfs/dbraw/zinc/88/38/63/607883863.db2.gz PUUHCXLVUKYAQS-VMPITWQZSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826499612 607883864 /nfs/dbraw/zinc/88/38/64/607883864.db2.gz PUUHCXLVUKYAQS-VMPITWQZSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000826499375 607916421 /nfs/dbraw/zinc/91/64/21/607916421.db2.gz GNMAZUOUBPOWRB-QHHAFSJGSA-N -1 3 368.353 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826499375 607916422 /nfs/dbraw/zinc/91/64/22/607916422.db2.gz GNMAZUOUBPOWRB-QHHAFSJGSA-N -1 3 368.353 3.694 20 5 FHBDHM Cc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284572 609570488 /nfs/dbraw/zinc/57/04/88/609570488.db2.gz YCWIFRBXASOYMY-SNVBAGLBSA-N -1 3 373.804 3.613 20 5 FHBDHM Cc1ccc([C@@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826284572 609570490 /nfs/dbraw/zinc/57/04/90/609570490.db2.gz YCWIFRBXASOYMY-SNVBAGLBSA-N -1 3 373.804 3.613 20 5 FHBDHM O=C(Nc1ccc(CNc2ccccc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187158249 928017877 /nfs/dbraw/zinc/01/78/77/928017877.db2.gz PRZMCPKCUSXDIJ-UHFFFAOYSA-N -1 3 364.361 3.560 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136051 930776603 /nfs/dbraw/zinc/77/66/03/930776603.db2.gz JCNMOXBODIHERQ-AWEZNQCLSA-N -1 3 370.377 3.611 20 5 FHBDHM Cc1c(CC(=O)Nc2cc(Br)ccc2[O-])cccc1[N+](=O)[O-] ZINC000119278106 931019148 /nfs/dbraw/zinc/01/91/48/931019148.db2.gz FIBHKQNSGTXGLM-UHFFFAOYSA-N -1 3 365.183 3.553 20 5 FHBDHM COc1cc(C(=O)[N-]c2c(C)cccc2SC)c([N+](=O)[O-])cc1OC ZINC000472234563 935874915 /nfs/dbraw/zinc/87/49/15/935874915.db2.gz RSYLPQCFBKDTTE-UHFFFAOYSA-N -1 3 362.407 3.895 20 5 FHBDHM O=C([O-])C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000417622370 943759192 /nfs/dbraw/zinc/75/91/92/943759192.db2.gz IKLJMSHDEWKLJR-SNVBAGLBSA-N -1 3 372.299 3.598 20 5 FHBDHM O=C([O-])C[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000417628347 943778975 /nfs/dbraw/zinc/77/89/75/943778975.db2.gz PGJCVBHDYQCZJA-NSHDSACASA-N -1 3 372.299 3.598 20 5 FHBDHM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424621545 944015853 /nfs/dbraw/zinc/01/58/53/944015853.db2.gz OBPZEGVGCFXVGU-IAQYHMDHSA-N -1 3 363.439 3.553 20 5 FHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000517152850 944050776 /nfs/dbraw/zinc/05/07/76/944050776.db2.gz TZFMVVYCECZKKZ-HNNXBMFYSA-N -1 3 361.423 3.604 20 5 FHBDHM CC(C)(C)c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000506243438 944647763 /nfs/dbraw/zinc/64/77/63/944647763.db2.gz LCJWAQYCXBYFOH-UHFFFAOYSA-N -1 3 354.366 3.727 20 5 FHBDHM Cc1oc2ncnc([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2c1C ZINC000522823001 945918544 /nfs/dbraw/zinc/91/85/44/945918544.db2.gz DLCGXYOGKYEJSE-UHFFFAOYSA-N -1 3 352.306 3.746 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000523416843 947247459 /nfs/dbraw/zinc/24/74/59/947247459.db2.gz FTZUZGFFXRXXBW-AWEZNQCLSA-N -1 3 370.377 3.611 20 5 FHBDHM O=C(Nc1ccccc1Oc1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188251465 947484340 /nfs/dbraw/zinc/48/43/40/947484340.db2.gz ZDSWWLFNGUNGAD-UHFFFAOYSA-N -1 3 369.308 3.879 20 5 FHBDHM CCc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000445189505 947580818 /nfs/dbraw/zinc/58/08/18/947580818.db2.gz PJTKWKMXCFRLAK-UHFFFAOYSA-N -1 3 370.390 3.634 20 5 FHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1 ZINC000108404248 209287550 /nfs/dbraw/zinc/28/75/50/209287550.db2.gz CTQNZFUFVGUDDO-LLVKDONJSA-N -1 3 354.815 3.596 20 5 FHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000481968554 568201709 /nfs/dbraw/zinc/20/17/09/568201709.db2.gz AIJDSWVBADBQPD-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000482016867 568230866 /nfs/dbraw/zinc/23/08/66/568230866.db2.gz UPZIDZUOVAUEAI-UHFFFAOYSA-N -1 3 366.826 3.524 20 5 FHBDHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000003016540 571343523 /nfs/dbraw/zinc/34/35/23/571343523.db2.gz URICHTRPDKHNAQ-UHFFFAOYSA-N -1 3 374.809 3.943 20 5 FHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000736370925 598975370 /nfs/dbraw/zinc/97/53/70/598975370.db2.gz UDUHOZZGZCHCTO-AWEZNQCLSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000736370925 598975371 /nfs/dbraw/zinc/97/53/71/598975371.db2.gz UDUHOZZGZCHCTO-AWEZNQCLSA-N -1 3 360.324 3.616 20 5 FHBDHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820667147 599077162 /nfs/dbraw/zinc/07/71/62/599077162.db2.gz LGBLCYJNCMBEDS-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820667147 599077166 /nfs/dbraw/zinc/07/71/66/599077166.db2.gz LGBLCYJNCMBEDS-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM O=[N+]([O-])c1cnc(Nc2cccc(Nc3ccccc3)c2)c(-c2nnn[n-]2)c1 ZINC000823650846 599186465 /nfs/dbraw/zinc/18/64/65/599186465.db2.gz CJAADQGDOFBMHV-UHFFFAOYSA-N -1 3 374.364 3.657 20 5 FHBDHM O=[N+]([O-])c1cnc(Nc2cccc(Nc3ccccc3)c2)c(-c2nn[n-]n2)c1 ZINC000823650846 599186466 /nfs/dbraw/zinc/18/64/66/599186466.db2.gz CJAADQGDOFBMHV-UHFFFAOYSA-N -1 3 374.364 3.657 20 5 FHBDHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736192122 598314454 /nfs/dbraw/zinc/31/44/54/598314454.db2.gz KYHQLSMTVIHELR-JTQLQIEISA-N -1 3 359.386 3.908 20 5 FHBDHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736192122 598314455 /nfs/dbraw/zinc/31/44/55/598314455.db2.gz KYHQLSMTVIHELR-JTQLQIEISA-N -1 3 359.386 3.908 20 5 FHBDHM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736199368 598814031 /nfs/dbraw/zinc/81/40/31/598814031.db2.gz XNGWKELGZLTDKP-NSHDSACASA-N -1 3 364.365 3.719 20 5 FHBDHM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736199368 598814032 /nfs/dbraw/zinc/81/40/32/598814032.db2.gz XNGWKELGZLTDKP-NSHDSACASA-N -1 3 364.365 3.719 20 5 FHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736369346 599528153 /nfs/dbraw/zinc/52/81/53/599528153.db2.gz KSYNJKZFDQTFAQ-AWEZNQCLSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736369346 599528157 /nfs/dbraw/zinc/52/81/57/599528157.db2.gz KSYNJKZFDQTFAQ-AWEZNQCLSA-N -1 3 360.324 3.616 20 5 FHBDHM Cc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C ZINC000822299674 599578331 /nfs/dbraw/zinc/57/83/31/599578331.db2.gz QOKIENQKRIDQNL-QGZVFWFLSA-N -1 3 364.409 3.733 20 5 FHBDHM Cc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C ZINC000822299674 599578333 /nfs/dbraw/zinc/57/83/33/599578333.db2.gz QOKIENQKRIDQNL-QGZVFWFLSA-N -1 3 364.409 3.733 20 5 FHBDHM O=C([O-])[C@@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414687199 604528156 /nfs/dbraw/zinc/52/81/56/604528156.db2.gz WMHFILDOGADLAS-HNNXBMFYSA-N -1 3 360.341 3.575 20 5 FHBDHM CC(C)N(Cc1ccc(O[C@H](C)C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000833538700 604535266 /nfs/dbraw/zinc/53/52/66/604535266.db2.gz VCNMWGDZKINMTE-OAHLLOKOSA-N -1 3 372.421 3.857 20 5 FHBDHM CN1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000833697932 604679270 /nfs/dbraw/zinc/67/92/70/604679270.db2.gz JXEHSQQOBLQAHA-FCWHSMDSSA-N -1 3 367.405 3.550 20 5 FHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820460956 606422148 /nfs/dbraw/zinc/42/21/48/606422148.db2.gz CURHMQORDVMNOY-QMMMGPOBSA-N -1 3 362.752 3.741 20 5 FHBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(F)cccc1Cl ZINC000820460956 606422150 /nfs/dbraw/zinc/42/21/50/606422150.db2.gz CURHMQORDVMNOY-QMMMGPOBSA-N -1 3 362.752 3.741 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3cscn3)cc2)c(-c2nnn[n-]2)c1 ZINC000823645990 606471412 /nfs/dbraw/zinc/47/14/12/606471412.db2.gz ZARPTCOLZZVGOO-UHFFFAOYSA-N -1 3 366.362 3.691 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3cscn3)cc2)c(-c2nn[n-]n2)c1 ZINC000823645990 606471414 /nfs/dbraw/zinc/47/14/14/606471414.db2.gz ZARPTCOLZZVGOO-UHFFFAOYSA-N -1 3 366.362 3.691 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823639915 606478039 /nfs/dbraw/zinc/47/80/39/606478039.db2.gz LTJHQPYYAPDTNW-MRXNPFEDSA-N -1 3 368.372 3.646 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823639915 606478041 /nfs/dbraw/zinc/47/80/41/606478041.db2.gz LTJHQPYYAPDTNW-MRXNPFEDSA-N -1 3 368.372 3.646 20 5 FHBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000539524118 935235297 /nfs/dbraw/zinc/23/52/97/935235297.db2.gz WUKNSZPINCCDQE-UHFFFAOYSA-N -1 3 350.758 3.670 20 5 FHBDHM Cc1c(Br)cc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC000511783838 945107957 /nfs/dbraw/zinc/10/79/57/945107957.db2.gz FDXYMOOASRDYPV-UHFFFAOYSA-N -1 3 369.146 3.763 20 5 FHBDHM CC(C)[C@H]1C[C@@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC000582621656 935883136 /nfs/dbraw/zinc/88/31/36/935883136.db2.gz OBMGICPJRQPHAP-XLIONFOSSA-N -1 3 354.406 3.808 20 5 FHBDHM COc1ccc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)c([N+](=O)[O-])c1 ZINC000128103048 935960316 /nfs/dbraw/zinc/96/03/16/935960316.db2.gz JOMUTRHUBSRWEA-UHFFFAOYSA-N -1 3 357.297 3.650 20 5 FHBDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000066001433 940176125 /nfs/dbraw/zinc/17/61/25/940176125.db2.gz NPLKGLITZVBMOP-JTQLQIEISA-N -1 3 360.482 3.784 20 5 FHBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000472745605 941668384 /nfs/dbraw/zinc/66/83/84/941668384.db2.gz DRHAEYQAIZVIFF-UHFFFAOYSA-N -1 3 372.805 3.601 20 5 FHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1c(Cl)oc2ccccc21 ZINC000426808811 944829868 /nfs/dbraw/zinc/82/98/68/944829868.db2.gz ODNDOHNLROTDFI-AWEZNQCLSA-N -1 3 374.780 3.780 20 5 FHBDHM Cc1cccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1[O-] ZINC000436948942 944836578 /nfs/dbraw/zinc/83/65/78/944836578.db2.gz IQYNQLQXZFPQMX-UHFFFAOYSA-N -1 3 350.334 3.731 20 5 FHBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1cccc(F)c1 ZINC000820726772 945539354 /nfs/dbraw/zinc/53/93/54/945539354.db2.gz BTUIOWROLCLUEK-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1cccc(F)c1 ZINC000820726772 945539358 /nfs/dbraw/zinc/53/93/58/945539358.db2.gz BTUIOWROLCLUEK-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000519749613 945715571 /nfs/dbraw/zinc/71/55/71/945715571.db2.gz XJLXQNVITAPNQQ-QFBILLFUSA-N -1 3 360.385 3.792 20 5 FHBDHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000018707301 946076432 /nfs/dbraw/zinc/07/64/32/946076432.db2.gz CECSHBWVTYAEMY-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000440145076 946457653 /nfs/dbraw/zinc/45/76/53/946457653.db2.gz KUCJDBBWUGSHIR-UONOGXRCSA-N -1 3 368.418 3.519 20 5 FHBDHM CCOc1ccc(OCC)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000028064851 207947359 /nfs/dbraw/zinc/94/73/59/207947359.db2.gz GGLHAPZGDPYKGP-UHFFFAOYSA-N -1 3 370.365 3.521 20 5 FHBDHM CC(C)Oc1ccc(F)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000066682586 568069886 /nfs/dbraw/zinc/06/98/86/568069886.db2.gz NTACVLRIRHGADC-UHFFFAOYSA-N -1 3 358.329 3.650 20 5 FHBDHM O=C([N-]c1cc(F)c(Br)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000181972528 568290520 /nfs/dbraw/zinc/29/05/20/568290520.db2.gz XELMOJKTLJYCDB-UHFFFAOYSA-N -1 3 363.139 3.949 20 5 FHBDHM O=[N+]([O-])c1cnc(Sc2n[n-]c(-c3cc(Cl)cc(Cl)c3)n2)nc1 ZINC000302108075 568291253 /nfs/dbraw/zinc/29/12/53/568291253.db2.gz ATMWJTVHYHKKCM-UHFFFAOYSA-N -1 3 369.193 3.628 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371905 598972439 /nfs/dbraw/zinc/97/24/39/598972439.db2.gz YTYLWSKEPFOQHZ-OTYXRUKQSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371905 598972441 /nfs/dbraw/zinc/97/24/41/598972441.db2.gz YTYLWSKEPFOQHZ-OTYXRUKQSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1cc(Cl)ccc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000738358203 599159874 /nfs/dbraw/zinc/15/98/74/599159874.db2.gz BBLBGXCWPYQLBI-UHFFFAOYSA-N -1 3 366.164 3.661 20 5 FHBDHM O=[N+]([O-])c1cc(Cl)ccc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000738358203 599159875 /nfs/dbraw/zinc/15/98/75/599159875.db2.gz BBLBGXCWPYQLBI-UHFFFAOYSA-N -1 3 366.164 3.661 20 5 FHBDHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000820548468 599222839 /nfs/dbraw/zinc/22/28/39/599222839.db2.gz AKXIAQFFVIKZEW-SNVBAGLBSA-N -1 3 359.386 3.908 20 5 FHBDHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000820548468 599222841 /nfs/dbraw/zinc/22/28/41/599222841.db2.gz AKXIAQFFVIKZEW-SNVBAGLBSA-N -1 3 359.386 3.908 20 5 FHBDHM C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736198093 598814981 /nfs/dbraw/zinc/81/49/81/598814981.db2.gz FOEZYGKQAJLJBG-JTQLQIEISA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736198093 598814983 /nfs/dbraw/zinc/81/49/83/598814983.db2.gz FOEZYGKQAJLJBG-JTQLQIEISA-N -1 3 358.789 3.626 20 5 FHBDHM COc1ccc(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000737098753 599331396 /nfs/dbraw/zinc/33/13/96/599331396.db2.gz ZBZNPPNAIFZUSR-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000737098753 599331398 /nfs/dbraw/zinc/33/13/98/599331398.db2.gz ZBZNPPNAIFZUSR-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000822299600 599577753 /nfs/dbraw/zinc/57/77/53/599577753.db2.gz OJFUOQHYYINVSI-MRXNPFEDSA-N -1 3 364.409 3.733 20 5 FHBDHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000822299600 599577754 /nfs/dbraw/zinc/57/77/54/599577754.db2.gz OJFUOQHYYINVSI-MRXNPFEDSA-N -1 3 364.409 3.733 20 5 FHBDHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414659575 604677035 /nfs/dbraw/zinc/67/70/35/604677035.db2.gz TWTOLMWTJGEZHS-LJQANCHMSA-N -1 3 374.368 3.823 20 5 FHBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(CCNC(=O)[O-])cc1 ZINC000830427464 604943125 /nfs/dbraw/zinc/94/31/25/604943125.db2.gz ILJHWVPYPGEUBW-CQSZACIVSA-N -1 3 357.410 3.564 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000593747753 604944589 /nfs/dbraw/zinc/94/45/89/604944589.db2.gz BJACGJZPORHKPL-HNNXBMFYSA-N -1 3 364.442 3.705 20 5 FHBDHM O=C([O-])NC1CCC(N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000834164148 605617955 /nfs/dbraw/zinc/61/79/55/605617955.db2.gz GDRPAHZVJUAVCA-TVPLGVNVSA-N -1 3 369.421 3.853 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc(-c2cscn2)cc1 ZINC000823630494 606471358 /nfs/dbraw/zinc/47/13/58/606471358.db2.gz YHQIKDAUOZWZDP-UHFFFAOYSA-N -1 3 366.362 3.691 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc(-c2cscn2)cc1 ZINC000823630494 606471360 /nfs/dbraw/zinc/47/13/60/606471360.db2.gz YHQIKDAUOZWZDP-UHFFFAOYSA-N -1 3 366.362 3.691 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1 ZINC000826498625 609601103 /nfs/dbraw/zinc/60/11/03/609601103.db2.gz CYKXIADXDZYXGG-CQSZACIVSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1 ZINC000826498625 609601105 /nfs/dbraw/zinc/60/11/05/609601105.db2.gz CYKXIADXDZYXGG-CQSZACIVSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1 ZINC000826498624 609601402 /nfs/dbraw/zinc/60/14/02/609601402.db2.gz CYKXIADXDZYXGG-AWEZNQCLSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1 ZINC000826498624 609601405 /nfs/dbraw/zinc/60/14/05/609601405.db2.gz CYKXIADXDZYXGG-AWEZNQCLSA-N -1 3 372.385 3.563 20 5 FHBDHM COc1cc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000507599179 945360987 /nfs/dbraw/zinc/36/09/87/945360987.db2.gz AEPKEIPVCMYSDY-UHFFFAOYSA-N -1 3 374.777 3.505 20 5 FHBDHM Cc1noc([N-]C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000101857982 942015700 /nfs/dbraw/zinc/01/57/00/942015700.db2.gz HCVWSFLVECICNT-UHFFFAOYSA-N -1 3 350.400 3.677 20 5 FHBDHM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016493387 942731622 /nfs/dbraw/zinc/73/16/22/942731622.db2.gz ZEAXOMBHUKTGAZ-UHFFFAOYSA-N -1 3 365.345 3.527 20 5 FHBDHM Cc1c(C(=O)[O-])cnn1C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000516304072 944705039 /nfs/dbraw/zinc/70/50/39/944705039.db2.gz QXUBZLDIJARZMC-CYBMUJFWSA-N -1 3 372.425 3.504 20 5 FHBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)cc1F ZINC000440388969 945478449 /nfs/dbraw/zinc/47/84/49/945478449.db2.gz HATKMSZOBSXNIB-NSHDSACASA-N -1 3 370.377 3.529 20 5 FHBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000108248218 945897351 /nfs/dbraw/zinc/89/73/51/945897351.db2.gz BMTQJMZVBYJQJG-UHFFFAOYSA-N -1 3 354.391 3.598 20 5 FHBDHM O=C(c1cc([N+](=O)[O-])cnc1[O-])N1CCc2c1cccc2-c1ccccc1 ZINC000186452628 946157221 /nfs/dbraw/zinc/15/72/21/946157221.db2.gz YRCPIGAJCCZORF-UHFFFAOYSA-N -1 3 361.357 3.565 20 5 FHBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c1cccc2-c1ccccc1 ZINC000186452628 946157225 /nfs/dbraw/zinc/15/72/25/946157225.db2.gz YRCPIGAJCCZORF-UHFFFAOYSA-N -1 3 361.357 3.565 20 5 FHBDHM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511923601 947007903 /nfs/dbraw/zinc/00/79/03/947007903.db2.gz QQKGOLISHULGAV-AWEZNQCLSA-N -1 3 366.826 3.522 20 5 FHBDHM O=C(Nc1ccc(SC2CCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444861335 947288295 /nfs/dbraw/zinc/28/82/95/947288295.db2.gz SSSOGJVDHFRHKK-UHFFFAOYSA-N -1 3 359.407 3.982 20 5 FHBDHM O=C(Nc1ccc(OC2CCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007007 947429817 /nfs/dbraw/zinc/42/98/17/947429817.db2.gz ICLYXAVQCQOHNV-UHFFFAOYSA-N -1 3 357.366 3.659 20 5 FHBDHM CCOc1c(Cl)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000445211186 947589765 /nfs/dbraw/zinc/58/97/65/947589765.db2.gz HBEVRKDPPZGMLY-UHFFFAOYSA-N -1 3 372.164 3.653 20 5 FHBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001126248474 947864864 /nfs/dbraw/zinc/86/48/64/947864864.db2.gz RQKRNKDIXSQEQW-UHFFFAOYSA-N -1 3 353.693 3.856 20 5 FHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000512144928 948544276 /nfs/dbraw/zinc/54/42/76/948544276.db2.gz HIUIPQCESFLADR-UHFFFAOYSA-N -1 3 374.871 3.566 20 5 FHBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000568562564 568051671 /nfs/dbraw/zinc/05/16/71/568051671.db2.gz URZSDSRHJLMKCF-UHFFFAOYSA-N -1 3 365.267 3.960 20 5 FHBDHM COc1ccccc1[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821883152 599068086 /nfs/dbraw/zinc/06/80/86/599068086.db2.gz QUIOGVHNBUHFCC-SNVBAGLBSA-N -1 3 357.395 3.637 20 5 FHBDHM COc1ccccc1[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821883152 599068088 /nfs/dbraw/zinc/06/80/88/599068088.db2.gz QUIOGVHNBUHFCC-SNVBAGLBSA-N -1 3 357.395 3.637 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368952 598246017 /nfs/dbraw/zinc/24/60/17/598246017.db2.gz GJGXLAGFMKMDBW-MRXNPFEDSA-N -1 3 350.382 3.655 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368952 598246019 /nfs/dbraw/zinc/24/60/19/598246019.db2.gz GJGXLAGFMKMDBW-MRXNPFEDSA-N -1 3 350.382 3.655 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](c2ccccc2)CC1 ZINC000738360295 598459373 /nfs/dbraw/zinc/45/93/73/598459373.db2.gz VGJVAYAIRBANQD-HNNXBMFYSA-N -1 3 364.409 3.549 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](c2ccccc2)CC1 ZINC000738360295 598459374 /nfs/dbraw/zinc/45/93/74/598459374.db2.gz VGJVAYAIRBANQD-HNNXBMFYSA-N -1 3 364.409 3.549 20 5 FHBDHM CCc1ccc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821481817 599578596 /nfs/dbraw/zinc/57/85/96/599578596.db2.gz OTZHFTTVLGLMFJ-INIZCTEOSA-N -1 3 368.397 3.662 20 5 FHBDHM CCc1ccc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821481817 599578597 /nfs/dbraw/zinc/57/85/97/599578597.db2.gz OTZHFTTVLGLMFJ-INIZCTEOSA-N -1 3 368.397 3.662 20 5 FHBDHM CC[C@@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000828988762 601265909 /nfs/dbraw/zinc/26/59/09/601265909.db2.gz DAQYOWRMFKKADU-GOSISDBHSA-N -1 3 372.421 3.916 20 5 FHBDHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414659574 604677793 /nfs/dbraw/zinc/67/77/93/604677793.db2.gz TWTOLMWTJGEZHS-IBGZPJMESA-N -1 3 374.368 3.823 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000823643800 606339725 /nfs/dbraw/zinc/33/97/25/606339725.db2.gz BKRHYGNJBPNYMZ-GHXNOFRVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000823643800 606339727 /nfs/dbraw/zinc/33/97/27/606339727.db2.gz BKRHYGNJBPNYMZ-GHXNOFRVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1cccc(-c2ccc(CNc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000826499751 609475601 /nfs/dbraw/zinc/47/56/01/609475601.db2.gz VPTNSQHWEXZSRI-UHFFFAOYSA-N -1 3 362.349 3.647 20 5 FHBDHM O=[N+]([O-])c1cccc(-c2ccc(CNc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000826499751 609475604 /nfs/dbraw/zinc/47/56/04/609475604.db2.gz VPTNSQHWEXZSRI-UHFFFAOYSA-N -1 3 362.349 3.647 20 5 FHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2cccc(F)c2o1 ZINC000610222183 928285242 /nfs/dbraw/zinc/28/52/42/928285242.db2.gz JGASAGDZWZAYKV-UHFFFAOYSA-N -1 3 372.308 3.894 20 5 FHBDHM O=C(c1ccc([O-])cc1)C1CCN(CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000611253561 934809024 /nfs/dbraw/zinc/80/90/24/934809024.db2.gz QCFGCFCHPAUNOV-HYXAFXHYSA-N -1 3 366.417 3.909 20 5 FHBDHM Cc1ccc(Sc2ccc(CN(C)CCC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000263416810 935205275 /nfs/dbraw/zinc/20/52/75/935205275.db2.gz NOMIQSVFLZBPEN-UHFFFAOYSA-N -1 3 360.435 3.961 20 5 FHBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1F ZINC000478079839 935565772 /nfs/dbraw/zinc/56/57/72/935565772.db2.gz JBQXDRLUGYDVBE-UHFFFAOYSA-N -1 3 370.695 3.565 20 5 FHBDHM CCN(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)c1ccco1 ZINC000582847370 936212579 /nfs/dbraw/zinc/21/25/79/936212579.db2.gz LPOAKLWFZMCCAA-OAHLLOKOSA-N -1 3 361.398 3.689 20 5 FHBDHM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124294771 945217691 /nfs/dbraw/zinc/21/76/91/945217691.db2.gz HWQYHLSKSXGSKU-UHFFFAOYSA-N -1 3 358.301 3.595 20 5 FHBDHM CN(c1ccccc1)c1ccc(CN2CCC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414672726 943200109 /nfs/dbraw/zinc/20/01/09/943200109.db2.gz CKHUYWAUYAWILO-INIZCTEOSA-N -1 3 369.421 3.659 20 5 FHBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000515730499 944167097 /nfs/dbraw/zinc/16/70/97/944167097.db2.gz HADXOZIZQVFNCC-OAHLLOKOSA-N -1 3 352.387 3.554 20 5 FHBDHM Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])[nH]n2)c(C)c1 ZINC000436811105 944667519 /nfs/dbraw/zinc/66/75/19/944667519.db2.gz ZKPWJAMPPVVFNL-UHFFFAOYSA-N -1 3 352.350 3.560 20 5 FHBDHM Cc1noc2nc(C3CC3)cc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)c12 ZINC000124956725 945399456 /nfs/dbraw/zinc/39/94/56/945399456.db2.gz VOGPHDHTMCAOQR-UHFFFAOYSA-N -1 3 374.303 3.847 20 5 FHBDHM O=c1[n-]c(-c2cn(Cc3ccccc3)nn2)nc2cc3ccccc3cc21 ZINC000487500699 946729641 /nfs/dbraw/zinc/72/96/41/946729641.db2.gz JVKZNBMOIGXUGE-UHFFFAOYSA-N -1 3 353.385 3.795 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000523415926 947245400 /nfs/dbraw/zinc/24/54/00/947245400.db2.gz UZLQNJIHDCNPGC-AWEZNQCLSA-N -1 3 370.377 3.611 20 5 FHBDHM CC(C)c1cnc(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)o1 ZINC000445020302 947420806 /nfs/dbraw/zinc/42/08/06/947420806.db2.gz NIXJIAIBCTXKJX-UHFFFAOYSA-N -1 3 368.349 3.726 20 5 FHBDHM O=C(Nc1cccc(COC2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188298115 947522172 /nfs/dbraw/zinc/52/21/72/947522172.db2.gz LSQPKPJNOPQWAF-UHFFFAOYSA-N -1 3 371.393 3.797 20 5 FHBDHM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445171104 947568470 /nfs/dbraw/zinc/56/84/70/947568470.db2.gz FNWBTRHJDZQFLE-UHFFFAOYSA-N -1 3 369.308 3.879 20 5 FHBDHM Cc1cc([O-])c(C(C)C)cc1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000436626109 568104137 /nfs/dbraw/zinc/10/41/37/568104137.db2.gz HDEFUZRBWFKPOJ-UHFFFAOYSA-N -1 3 354.366 3.861 20 5 FHBDHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541958418 568284134 /nfs/dbraw/zinc/28/41/34/568284134.db2.gz WEPAVZYOPDSKRW-UHFFFAOYSA-N -1 3 358.684 3.808 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC1CC(c2cccc(Cl)c2)C1 ZINC000823630282 599047955 /nfs/dbraw/zinc/04/79/55/599047955.db2.gz VMQJJQNYEUOFDU-UHFFFAOYSA-N -1 3 370.800 3.786 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC1CC(c2cccc(Cl)c2)C1 ZINC000823630282 599047957 /nfs/dbraw/zinc/04/79/57/599047957.db2.gz VMQJJQNYEUOFDU-UHFFFAOYSA-N -1 3 370.800 3.786 20 5 FHBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000820151692 599155226 /nfs/dbraw/zinc/15/52/26/599155226.db2.gz MWERBMLIQAWZOE-LBPRGKRZSA-N -1 3 368.397 3.735 20 5 FHBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000820151692 599155228 /nfs/dbraw/zinc/15/52/28/599155228.db2.gz MWERBMLIQAWZOE-LBPRGKRZSA-N -1 3 368.397 3.735 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738360820 598796568 /nfs/dbraw/zinc/79/65/68/598796568.db2.gz ZJAAPHVQADWECU-KRWDZBQOSA-N -1 3 368.372 3.867 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000738360820 598796570 /nfs/dbraw/zinc/79/65/70/598796570.db2.gz ZJAAPHVQADWECU-KRWDZBQOSA-N -1 3 368.372 3.867 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CCC2)c(-c2nnn[n-]2)c1 ZINC000738370376 598796757 /nfs/dbraw/zinc/79/67/57/598796757.db2.gz PGKOLLGCMVJJPX-KRWDZBQOSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)C2CCC2)c(-c2nn[n-]n2)c1 ZINC000738370376 598796758 /nfs/dbraw/zinc/79/67/58/598796758.db2.gz PGKOLLGCMVJJPX-KRWDZBQOSA-N -1 3 350.382 3.728 20 5 FHBDHM C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736199037 598814180 /nfs/dbraw/zinc/81/41/80/598814180.db2.gz MRLYLBRYGKQAPQ-JTQLQIEISA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736199037 598814181 /nfs/dbraw/zinc/81/41/81/598814181.db2.gz MRLYLBRYGKQAPQ-JTQLQIEISA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736199038 598814188 /nfs/dbraw/zinc/81/41/88/598814188.db2.gz MRLYLBRYGKQAPQ-SNVBAGLBSA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@H](c1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736199038 598814190 /nfs/dbraw/zinc/81/41/90/598814190.db2.gz MRLYLBRYGKQAPQ-SNVBAGLBSA-N -1 3 358.789 3.626 20 5 FHBDHM COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)C)cc1 ZINC000821782676 599299749 /nfs/dbraw/zinc/29/97/49/599299749.db2.gz KEXJZMWAGVRXRV-KRWDZBQOSA-N -1 3 368.397 3.593 20 5 FHBDHM COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)C)cc1 ZINC000821782676 599299752 /nfs/dbraw/zinc/29/97/52/599299752.db2.gz KEXJZMWAGVRXRV-KRWDZBQOSA-N -1 3 368.397 3.593 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCSc2ccc(F)cc21 ZINC000823629671 599320781 /nfs/dbraw/zinc/32/07/81/599320781.db2.gz DTROJYRELYJAQU-LBPRGKRZSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCSc2ccc(F)cc21 ZINC000823629671 599320782 /nfs/dbraw/zinc/32/07/82/599320782.db2.gz DTROJYRELYJAQU-LBPRGKRZSA-N -1 3 372.385 3.563 20 5 FHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1Cl ZINC000736134339 599440746 /nfs/dbraw/zinc/44/07/46/599440746.db2.gz BWAMPVWZSBQHSU-MRVPVSSYSA-N -1 3 362.752 3.741 20 5 FHBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000736134339 599440748 /nfs/dbraw/zinc/44/07/48/599440748.db2.gz BWAMPVWZSBQHSU-MRVPVSSYSA-N -1 3 362.752 3.741 20 5 FHBDHM CC(C)CN(CCC(=O)[O-])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833486457 604577890 /nfs/dbraw/zinc/57/78/90/604577890.db2.gz IXJRTOOWPMWWNM-UHFFFAOYSA-N -1 3 363.439 3.651 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000823644654 606387988 /nfs/dbraw/zinc/38/79/88/606387988.db2.gz JXKUQDZBOMPLJV-UTCJRWHESA-N -1 3 356.392 3.617 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823629911 606596135 /nfs/dbraw/zinc/59/61/35/606596135.db2.gz LOVBGPLVEBZNLL-ONGXEEELSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000823629911 606596138 /nfs/dbraw/zinc/59/61/38/606596138.db2.gz LOVBGPLVEBZNLL-ONGXEEELSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1cccc(F)c1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823647620 606852146 /nfs/dbraw/zinc/85/21/46/606852146.db2.gz NGNGMTCOQXSUPZ-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1cccc(F)c1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823647620 606852148 /nfs/dbraw/zinc/85/21/48/606852148.db2.gz NGNGMTCOQXSUPZ-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM CC[C@@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1C1CC1 ZINC000825080726 608098653 /nfs/dbraw/zinc/09/86/53/608098653.db2.gz BRDOIHDQNMZEQS-SNVBAGLBSA-N -1 3 368.401 3.563 20 5 FHBDHM CC[C@@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1C1CC1 ZINC000825080726 608098654 /nfs/dbraw/zinc/09/86/54/608098654.db2.gz BRDOIHDQNMZEQS-SNVBAGLBSA-N -1 3 368.401 3.563 20 5 FHBDHM CCCC[C@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825260308 608161132 /nfs/dbraw/zinc/16/11/32/608161132.db2.gz NNLAOVCZZHYYAV-VIFPVBQESA-N -1 3 366.809 3.583 20 5 FHBDHM CCCC[C@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825260308 608161134 /nfs/dbraw/zinc/16/11/34/608161134.db2.gz NNLAOVCZZHYYAV-VIFPVBQESA-N -1 3 366.809 3.583 20 5 FHBDHM C[C@@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757169 609329083 /nfs/dbraw/zinc/32/90/83/609329083.db2.gz TXXZXPZMZSDKOQ-GFCCVEGCSA-N -1 3 355.423 3.812 20 5 FHBDHM C[C@@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757169 609329085 /nfs/dbraw/zinc/32/90/85/609329085.db2.gz TXXZXPZMZSDKOQ-GFCCVEGCSA-N -1 3 355.423 3.812 20 5 FHBDHM Cc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284571 609570691 /nfs/dbraw/zinc/57/06/91/609570691.db2.gz YCWIFRBXASOYMY-JTQLQIEISA-N -1 3 373.804 3.613 20 5 FHBDHM Cc1ccc([C@H](C)Nc2ncc(Cl)c(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826284571 609570693 /nfs/dbraw/zinc/57/06/93/609570693.db2.gz YCWIFRBXASOYMY-JTQLQIEISA-N -1 3 373.804 3.613 20 5 FHBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025587 936343479 /nfs/dbraw/zinc/34/34/79/936343479.db2.gz FCDBSJCZIXDYSN-UHFFFAOYSA-N -1 3 368.386 3.630 20 5 FHBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1csc(-c2ccncc2)n1 ZINC000471116704 927510239 /nfs/dbraw/zinc/51/02/39/927510239.db2.gz PHXSRBKVPRMTED-UHFFFAOYSA-N -1 3 370.390 3.764 20 5 FHBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1nccnc1Sc1ccccc1 ZINC000544044249 937216959 /nfs/dbraw/zinc/21/69/59/937216959.db2.gz CVLBVAZUHDNHTH-UHFFFAOYSA-N -1 3 370.365 3.927 20 5 FHBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC)s1 ZINC000134219844 930601934 /nfs/dbraw/zinc/60/19/34/930601934.db2.gz HENBLGJZNQGIAA-UHFFFAOYSA-N -1 3 352.441 3.763 20 5 FHBDHM COc1cc(CNCc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000580638403 930959556 /nfs/dbraw/zinc/95/95/56/930959556.db2.gz UYFNBWHJKNVWFU-UHFFFAOYSA-N -1 3 372.352 3.998 20 5 FHBDHM O=C([N-]c1ccc(F)cc1-c1nc(C2CC2)no1)c1ccc([N+](=O)[O-])o1 ZINC000471653365 932029043 /nfs/dbraw/zinc/02/90/43/932029043.db2.gz JNWMGUGJSASPPB-UHFFFAOYSA-N -1 3 358.285 3.507 20 5 FHBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3)s2)cc1 ZINC000518281841 945288553 /nfs/dbraw/zinc/28/85/53/945288553.db2.gz ZNSWFNGKCYFVIW-UHFFFAOYSA-N -1 3 372.381 3.737 20 5 FHBDHM CCOc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)c1F ZINC000427391201 945335493 /nfs/dbraw/zinc/33/54/93/945335493.db2.gz MOLOZROHRFZGPY-UHFFFAOYSA-N -1 3 352.293 3.533 20 5 FHBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000582874006 940930896 /nfs/dbraw/zinc/93/08/96/940930896.db2.gz CIUWTHAAXRBUJH-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000514945303 943397126 /nfs/dbraw/zinc/39/71/26/943397126.db2.gz URJSRGCXDWXLGF-GOSISDBHSA-N -1 3 372.421 3.510 20 5 FHBDHM O=C([O-])C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000417630808 943767695 /nfs/dbraw/zinc/76/76/95/943767695.db2.gz RPORFZGOGGEZIQ-NSHDSACASA-N -1 3 372.299 3.598 20 5 FHBDHM O=C([O-])[C@@H](CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000515660294 944104222 /nfs/dbraw/zinc/10/42/22/944104222.db2.gz VDDYHBPLRQSLRQ-SFHVURJKSA-N -1 3 354.406 3.818 20 5 FHBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(Cl)c1Cl ZINC000426810858 944832088 /nfs/dbraw/zinc/83/20/88/944832088.db2.gz QQZFDOMMRSQWLJ-ZDUSSCGKSA-N -1 3 369.204 3.687 20 5 FHBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc2ccccc2c2cccnc12 ZINC000473854204 945048291 /nfs/dbraw/zinc/04/82/91/945048291.db2.gz XYUAZEMTCQCNLR-GOSISDBHSA-N -1 3 358.401 3.637 20 5 FHBDHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])ccc3C)[nH][n-]2)c1 ZINC000523946226 947751456 /nfs/dbraw/zinc/75/14/56/947751456.db2.gz YGARXTLXMPOFSK-UHFFFAOYSA-N -1 3 350.378 3.584 20 5 FHBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccccc3)c(C)s2)c1[N+](=O)[O-] ZINC000609473223 568217932 /nfs/dbraw/zinc/21/79/32/568217932.db2.gz IENWNMXIFQURJA-UHFFFAOYSA-N -1 3 357.395 3.565 20 5 FHBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CCCCCC3)c1[N+](=O)[O-] ZINC000609476764 568323958 /nfs/dbraw/zinc/32/39/58/568323958.db2.gz KIUWPUQYKDCLKT-UHFFFAOYSA-N -1 3 363.443 3.638 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371900 598972324 /nfs/dbraw/zinc/97/23/24/598972324.db2.gz YTYLWSKEPFOQHZ-LKFCYVNXSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371900 598972326 /nfs/dbraw/zinc/97/23/26/598972326.db2.gz YTYLWSKEPFOQHZ-LKFCYVNXSA-N -1 3 374.763 3.535 20 5 FHBDHM Cc1ccccc1[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000737425085 598774645 /nfs/dbraw/zinc/77/46/45/598774645.db2.gz YSZPFBQOPBYYLP-QGZVFWFLSA-N -1 3 350.382 3.647 20 5 FHBDHM Cc1ccccc1[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000737425085 598774646 /nfs/dbraw/zinc/77/46/46/598774646.db2.gz YSZPFBQOPBYYLP-QGZVFWFLSA-N -1 3 350.382 3.647 20 5 FHBDHM CC(C)(C)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907749 599565737 /nfs/dbraw/zinc/56/57/37/599565737.db2.gz RCXRXFPQXDEANS-UHFFFAOYSA-N -1 3 355.402 3.561 20 5 FHBDHM CC(C)(C)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907749 599565739 /nfs/dbraw/zinc/56/57/39/599565739.db2.gz RCXRXFPQXDEANS-UHFFFAOYSA-N -1 3 355.402 3.561 20 5 FHBDHM CCc1ccc([C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821481504 599579147 /nfs/dbraw/zinc/57/91/47/599579147.db2.gz KPUHHLWKKMDTDG-HNNXBMFYSA-N -1 3 368.397 3.662 20 5 FHBDHM CCc1ccc([C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821481504 599579150 /nfs/dbraw/zinc/57/91/50/599579150.db2.gz KPUHHLWKKMDTDG-HNNXBMFYSA-N -1 3 368.397 3.662 20 5 FHBDHM Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)N2CCCC2)o1 ZINC000566291492 602315227 /nfs/dbraw/zinc/31/52/27/602315227.db2.gz KFPNRNOJQYRFBV-MRXNPFEDSA-N -1 3 373.409 3.752 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC000823645987 606339752 /nfs/dbraw/zinc/33/97/52/606339752.db2.gz YZLFQRGSBYCJLG-KPKJPENVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC000823645987 606339753 /nfs/dbraw/zinc/33/97/53/606339753.db2.gz YZLFQRGSBYCJLG-KPKJPENVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000823648321 606389926 /nfs/dbraw/zinc/38/99/26/606389926.db2.gz ULUBPOYPJYYIDL-XQRVVYSFSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823629701 606476823 /nfs/dbraw/zinc/47/68/23/606476823.db2.gz FHQHRPBMLJRZAD-OAHLLOKOSA-N -1 3 368.372 3.646 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000823629701 606476825 /nfs/dbraw/zinc/47/68/25/606476825.db2.gz FHQHRPBMLJRZAD-OAHLLOKOSA-N -1 3 368.372 3.646 20 5 FHBDHM CC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820924835 606479073 /nfs/dbraw/zinc/47/90/73/606479073.db2.gz ACKYFXBJRDBOHU-CQSZACIVSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820924835 606479075 /nfs/dbraw/zinc/47/90/75/606479075.db2.gz ACKYFXBJRDBOHU-CQSZACIVSA-N -1 3 360.324 3.616 20 5 FHBDHM O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1scnc1C(F)(F)F ZINC000096749147 931764660 /nfs/dbraw/zinc/76/46/60/931764660.db2.gz XGFUARDUEKLKEC-UHFFFAOYSA-N -1 3 351.693 3.976 20 5 FHBDHM CC(C)C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000263464980 935214866 /nfs/dbraw/zinc/21/48/66/935214866.db2.gz FXDWUWSDOHUKHR-CYBMUJFWSA-N -1 3 363.439 3.555 20 5 FHBDHM COc1cc(CNc2cnn(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1[O-] ZINC000479387797 935834845 /nfs/dbraw/zinc/83/48/45/935834845.db2.gz FUKJCIBNQOYAKZ-UHFFFAOYSA-N -1 3 374.784 3.760 20 5 FHBDHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000661 940175703 /nfs/dbraw/zinc/17/57/03/940175703.db2.gz NOYZBIVKNJWXLF-NSHDSACASA-N -1 3 370.452 3.550 20 5 FHBDHM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000181266818 941119003 /nfs/dbraw/zinc/11/90/03/941119003.db2.gz HBXRDZQCNURGQQ-UHFFFAOYSA-N -1 3 363.373 3.726 20 5 FHBDHM O=C([O-])[C@H]1CCCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414677202 941434318 /nfs/dbraw/zinc/43/43/18/941434318.db2.gz HVNXSRABXVXRFR-MRXNPFEDSA-N -1 3 374.368 3.965 20 5 FHBDHM CC(C)[C@H](C(=O)[O-])[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424621549 944016126 /nfs/dbraw/zinc/01/61/26/944016126.db2.gz OBPZEGVGCFXVGU-NHYWBVRUSA-N -1 3 363.439 3.553 20 5 FHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000515736512 944173246 /nfs/dbraw/zinc/17/32/46/944173246.db2.gz LRLSTCXWQCNUCP-CQSZACIVSA-N -1 3 372.805 3.817 20 5 FHBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000123608399 944380117 /nfs/dbraw/zinc/38/01/17/944380117.db2.gz QFECOHZQHDFZIU-UHFFFAOYSA-N -1 3 351.156 3.624 20 5 FHBDHM CCCCOc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c([O-])c1 ZINC000436990066 944883092 /nfs/dbraw/zinc/88/30/92/944883092.db2.gz TUJMIIBWARYVFG-UHFFFAOYSA-N -1 3 370.405 3.678 20 5 FHBDHM O=[N+]([O-])c1cc(CNCc2ncccc2[O-])ccc1Oc1ccc(F)cc1 ZINC000475335075 946902869 /nfs/dbraw/zinc/90/28/69/946902869.db2.gz QZMFJTQTZYJLRR-UHFFFAOYSA-N -1 3 369.352 3.917 20 5 FHBDHM Cc1ccc2[nH]c([C@@H]3CCCN(Cc4cc([O-])ccc4[N+](=O)[O-])C3)nc2c1 ZINC000429693105 947214734 /nfs/dbraw/zinc/21/47/34/947214734.db2.gz YFLLLZJEDHPEDH-CQSZACIVSA-N -1 3 366.421 3.865 20 5 FHBDHM Cc1ccc2nc([C@@H]3CCCN(Cc4cc([O-])ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000429693105 947214741 /nfs/dbraw/zinc/21/47/41/947214741.db2.gz YFLLLZJEDHPEDH-CQSZACIVSA-N -1 3 366.421 3.865 20 5 FHBDHM Cc1sc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000444832585 947264658 /nfs/dbraw/zinc/26/46/58/947264658.db2.gz GBMNWZCNGUGEFS-UHFFFAOYSA-N -1 3 370.390 3.688 20 5 FHBDHM Cc1cc(C)c(-c2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)c(C)c1 ZINC000541858398 568018369 /nfs/dbraw/zinc/01/83/69/568018369.db2.gz KZEPIZPUWZKBNU-UHFFFAOYSA-N -1 3 371.422 3.629 20 5 FHBDHM Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568766962 568193153 /nfs/dbraw/zinc/19/31/53/568193153.db2.gz IQIMNYZSXJDGGG-INIZCTEOSA-N -1 3 373.409 3.834 20 5 FHBDHM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000366024781 568244382 /nfs/dbraw/zinc/24/43/82/568244382.db2.gz UOYGRTJWNXQIJF-UHFFFAOYSA-N -1 3 358.741 3.859 20 5 FHBDHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000436682211 568288395 /nfs/dbraw/zinc/28/83/95/568288395.db2.gz POJBRKGULLCBBT-LLVKDONJSA-N -1 3 356.378 3.505 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cc(F)ccc1F ZINC000569747964 568429360 /nfs/dbraw/zinc/42/93/60/568429360.db2.gz JORQGRUMWKRNCE-HNNXBMFYSA-N -1 3 370.377 3.611 20 5 FHBDHM O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc([O-])c(Br)c1 ZINC000436713049 568440454 /nfs/dbraw/zinc/44/04/54/568440454.db2.gz DFYBSXWCZOKUDV-UHFFFAOYSA-N -1 3 374.194 3.645 20 5 FHBDHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820668310 599059627 /nfs/dbraw/zinc/05/96/27/599059627.db2.gz RNDDRPHLWKVWNV-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820668310 599059628 /nfs/dbraw/zinc/05/96/28/599059628.db2.gz RNDDRPHLWKVWNV-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820669222 599060295 /nfs/dbraw/zinc/06/02/95/599060295.db2.gz ZXPMPUPJRUJVGI-ZBEGNZNMSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820669222 599060298 /nfs/dbraw/zinc/06/02/98/599060298.db2.gz ZXPMPUPJRUJVGI-ZBEGNZNMSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820667142 599077179 /nfs/dbraw/zinc/07/71/79/599077179.db2.gz LGBLCYJNCMBEDS-DIFFPNOSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820667142 599077181 /nfs/dbraw/zinc/07/71/81/599077181.db2.gz LGBLCYJNCMBEDS-DIFFPNOSSA-N -1 3 368.372 3.502 20 5 FHBDHM COc1ccc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc1-c1nnn[n-]1 ZINC000737080444 599153197 /nfs/dbraw/zinc/15/31/97/599153197.db2.gz ARAYYMAGSGNXCG-YVMONPNESA-N -1 3 374.360 3.502 20 5 FHBDHM COc1ccc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc1-c1nn[n-]n1 ZINC000737080444 599153200 /nfs/dbraw/zinc/15/32/00/599153200.db2.gz ARAYYMAGSGNXCG-YVMONPNESA-N -1 3 374.360 3.502 20 5 FHBDHM COc1ccc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc1-c1nnn[n-]1 ZINC000737080443 599153421 /nfs/dbraw/zinc/15/34/21/599153421.db2.gz ARAYYMAGSGNXCG-VMPITWQZSA-N -1 3 374.360 3.502 20 5 FHBDHM COc1ccc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc1-c1nn[n-]n1 ZINC000737080443 599153423 /nfs/dbraw/zinc/15/34/23/599153423.db2.gz ARAYYMAGSGNXCG-VMPITWQZSA-N -1 3 374.360 3.502 20 5 FHBDHM O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000738360646 599174690 /nfs/dbraw/zinc/17/46/90/599174690.db2.gz RQBGGXGUMSJYOU-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000738360646 599174694 /nfs/dbraw/zinc/17/46/94/599174694.db2.gz RQBGGXGUMSJYOU-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(NCC2(Sc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738369637 598594705 /nfs/dbraw/zinc/59/47/05/598594705.db2.gz KWWUWFCMFFNXPX-UHFFFAOYSA-N -1 3 368.422 3.512 20 5 FHBDHM O=[N+]([O-])c1ccc(NCC2(Sc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738369637 598594706 /nfs/dbraw/zinc/59/47/06/598594706.db2.gz KWWUWFCMFFNXPX-UHFFFAOYSA-N -1 3 368.422 3.512 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccc(F)cc32)c(-c2nnn[n-]2)c1 ZINC000823639824 599322140 /nfs/dbraw/zinc/32/21/40/599322140.db2.gz HYRDTPQIYAPXDS-AWEZNQCLSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCSc3ccc(F)cc32)c(-c2nn[n-]n2)c1 ZINC000823639824 599322142 /nfs/dbraw/zinc/32/21/42/599322142.db2.gz HYRDTPQIYAPXDS-AWEZNQCLSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000823647980 607457492 /nfs/dbraw/zinc/45/74/92/607457492.db2.gz RGQFPHIGLKZBIN-SREVYHEPSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000823647980 607457494 /nfs/dbraw/zinc/45/74/94/607457494.db2.gz RGQFPHIGLKZBIN-SREVYHEPSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nnn[n-]4)cc3F)nc2c1 ZINC000823646036 607457728 /nfs/dbraw/zinc/45/77/28/607457728.db2.gz ZGFGYKPDCVUHLI-ZZXKWVIFSA-N -1 3 368.353 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nn[n-]n4)cc3F)nc2c1 ZINC000823646036 607457729 /nfs/dbraw/zinc/45/77/29/607457729.db2.gz ZGFGYKPDCVUHLI-ZZXKWVIFSA-N -1 3 368.353 3.694 20 5 FHBDHM CN(C)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000737357746 600942178 /nfs/dbraw/zinc/94/21/78/600942178.db2.gz DDEZDJDZEXJPON-CYBMUJFWSA-N -1 3 369.830 3.723 20 5 FHBDHM Cc1ccc([C@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000832920787 601267750 /nfs/dbraw/zinc/26/77/50/601267750.db2.gz GWNVZRWXUVJQCH-HNNXBMFYSA-N -1 3 372.421 3.834 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000823643801 606339678 /nfs/dbraw/zinc/33/96/78/606339678.db2.gz BKRHYGNJBPNYMZ-KPKJPENVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000823643801 606339680 /nfs/dbraw/zinc/33/96/80/606339680.db2.gz BKRHYGNJBPNYMZ-KPKJPENVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823639914 606477819 /nfs/dbraw/zinc/47/78/19/606477819.db2.gz LTJHQPYYAPDTNW-INIZCTEOSA-N -1 3 368.372 3.646 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823639914 606477820 /nfs/dbraw/zinc/47/78/20/606477820.db2.gz LTJHQPYYAPDTNW-INIZCTEOSA-N -1 3 368.372 3.646 20 5 FHBDHM CCCC[C@@H](CC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825260172 608161075 /nfs/dbraw/zinc/16/10/75/608161075.db2.gz NNLAOVCZZHYYAV-SECBINFHSA-N -1 3 366.809 3.583 20 5 FHBDHM CCCC[C@@H](CC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825260172 608161077 /nfs/dbraw/zinc/16/10/77/608161077.db2.gz NNLAOVCZZHYYAV-SECBINFHSA-N -1 3 366.809 3.583 20 5 FHBDHM COc1cc(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826180184 609440172 /nfs/dbraw/zinc/44/01/72/609440172.db2.gz VWWDKWNAPQXUBA-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM COc1cc(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826180184 609440174 /nfs/dbraw/zinc/44/01/74/609440174.db2.gz VWWDKWNAPQXUBA-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000176434834 937166452 /nfs/dbraw/zinc/16/64/52/937166452.db2.gz DLUICWAYUMHAKN-UHFFFAOYSA-N -1 3 351.156 3.624 20 5 FHBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000275861744 930552926 /nfs/dbraw/zinc/55/29/26/930552926.db2.gz ZKHVBECREVSNMX-UHFFFAOYSA-N -1 3 363.805 3.906 20 5 FHBDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)n[n-]2)o1 ZINC000189757220 941273424 /nfs/dbraw/zinc/27/34/24/941273424.db2.gz JZWLRRLWRFOXGV-UHFFFAOYSA-N -1 3 355.354 3.657 20 5 FHBDHM O=C(c1cc([N+](=O)[O-])cnc1[O-])N1Cc2ccccc2-c2ccccc2C1 ZINC000101959574 942028676 /nfs/dbraw/zinc/02/86/76/942028676.db2.gz ZYIDPSXDXMSFCB-UHFFFAOYSA-N -1 3 361.357 3.518 20 5 FHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCCc2sccc21 ZINC000434255713 942551243 /nfs/dbraw/zinc/55/12/43/942551243.db2.gz WMYPKDSFWMNZDZ-AWEZNQCLSA-N -1 3 368.418 3.527 20 5 FHBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000515287821 943763457 /nfs/dbraw/zinc/76/34/57/943763457.db2.gz WZMLBEHNVXXITP-UHFFFAOYSA-N -1 3 358.281 3.519 20 5 FHBDHM Cc1c(C(=O)[O-])cnn1C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000516304074 944705316 /nfs/dbraw/zinc/70/53/16/944705316.db2.gz QXUBZLDIJARZMC-ZDUSSCGKSA-N -1 3 372.425 3.504 20 5 FHBDHM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000426736768 944748459 /nfs/dbraw/zinc/74/84/59/944748459.db2.gz ZAPBLERTDDJEPT-QGZVFWFLSA-N -1 3 358.394 3.608 20 5 FHBDHM O=C(c1ccc([O-])cc1)C1CCN(CC=Cc2ccccc2[N+](=O)[O-])CC1 ZINC000124030808 945039166 /nfs/dbraw/zinc/03/91/66/945039166.db2.gz QCFGCFCHPAUNOV-HWKANZROSA-N -1 3 366.417 3.909 20 5 FHBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1cccc(F)c1 ZINC000820726774 945539510 /nfs/dbraw/zinc/53/95/10/945539510.db2.gz BTUIOWROLCLUEK-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1cccc(F)c1 ZINC000820726774 945539515 /nfs/dbraw/zinc/53/95/15/945539515.db2.gz BTUIOWROLCLUEK-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnc(C(C)(C)C)s1 ZINC000456158356 946200144 /nfs/dbraw/zinc/20/01/44/946200144.db2.gz FOCKSIMYMBQUHQ-UHFFFAOYSA-N -1 3 363.443 3.816 20 5 FHBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc([O-])ccc1Cl ZINC000508518540 947521782 /nfs/dbraw/zinc/52/17/82/947521782.db2.gz GXAWMFDGAMIPAJ-UHFFFAOYSA-N -1 3 374.702 3.903 20 5 FHBDHM O=[N+]([O-])c1ccc(F)cc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826498378 948413319 /nfs/dbraw/zinc/41/33/19/948413319.db2.gz SETODZNNAIHNJH-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(F)cc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826498378 948413322 /nfs/dbraw/zinc/41/33/22/948413322.db2.gz SETODZNNAIHNJH-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000604040080 568202813 /nfs/dbraw/zinc/20/28/13/568202813.db2.gz FPDAYJGFNZOIHU-NSHDSACASA-N -1 3 354.815 3.596 20 5 FHBDHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820667102 599077105 /nfs/dbraw/zinc/07/71/05/599077105.db2.gz LBHLZFHTEKSKLW-ZBEGNZNMSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820667102 599077108 /nfs/dbraw/zinc/07/71/08/599077108.db2.gz LBHLZFHTEKSKLW-ZBEGNZNMSA-N -1 3 368.372 3.502 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371966 598460209 /nfs/dbraw/zinc/46/02/09/598460209.db2.gz ZSPLOQWHVQZKHH-OAHLLOKOSA-N -1 3 364.409 3.549 20 5 FHBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371966 598460210 /nfs/dbraw/zinc/46/02/10/598460210.db2.gz ZSPLOQWHVQZKHH-OAHLLOKOSA-N -1 3 364.409 3.549 20 5 FHBDHM Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000737420207 598774804 /nfs/dbraw/zinc/77/48/04/598774804.db2.gz HIZFZBSSLMTSMD-KRWDZBQOSA-N -1 3 350.382 3.647 20 5 FHBDHM Cc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000737420207 598774805 /nfs/dbraw/zinc/77/48/05/598774805.db2.gz HIZFZBSSLMTSMD-KRWDZBQOSA-N -1 3 350.382 3.647 20 5 FHBDHM CN1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000833697933 604679325 /nfs/dbraw/zinc/67/93/25/604679325.db2.gz JXEHSQQOBLQAHA-TWWASOPWSA-N -1 3 367.405 3.550 20 5 FHBDHM O=C([O-])NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000834190524 605485692 /nfs/dbraw/zinc/48/56/92/605485692.db2.gz SXBGSJWPMLFDHZ-UHFFFAOYSA-N -1 3 361.423 3.555 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000823648320 606389758 /nfs/dbraw/zinc/38/97/58/606389758.db2.gz ULUBPOYPJYYIDL-GQCTYLIASA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc2nc(Oc3cc(Cl)ccc3-c3nnn[n-]3)sc2c1 ZINC000823645499 606790572 /nfs/dbraw/zinc/79/05/72/606790572.db2.gz RSFNHAQWERQXBA-UHFFFAOYSA-N -1 3 374.769 3.830 20 5 FHBDHM O=[N+]([O-])c1ccc2nc(Oc3cc(Cl)ccc3-c3nn[n-]n3)sc2c1 ZINC000823645499 606790574 /nfs/dbraw/zinc/79/05/74/606790574.db2.gz RSFNHAQWERQXBA-UHFFFAOYSA-N -1 3 374.769 3.830 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c2ccncc21 ZINC000823645046 606790841 /nfs/dbraw/zinc/79/08/41/606790841.db2.gz MPXGDGSFKRDEMM-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c2ccncc21 ZINC000823645046 606790842 /nfs/dbraw/zinc/79/08/42/606790842.db2.gz MPXGDGSFKRDEMM-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM COc1ccc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207250 607983565 /nfs/dbraw/zinc/98/35/65/607983565.db2.gz GXZYXYJEGMSQLR-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826207250 607983566 /nfs/dbraw/zinc/98/35/66/607983566.db2.gz GXZYXYJEGMSQLR-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccccc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000826499595 608046654 /nfs/dbraw/zinc/04/66/54/608046654.db2.gz OSVFEEJQXDCIDU-UHFFFAOYSA-N -1 3 360.333 3.629 20 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938824722 /nfs/dbraw/zinc/82/47/22/938824722.db2.gz ITZHPKUPQAYMHA-UHFFFAOYSA-N -1 3 359.308 3.521 20 5 FHBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000158866905 938922087 /nfs/dbraw/zinc/92/20/87/938922087.db2.gz QWRYPJULHIZBGF-UHFFFAOYSA-N -1 3 367.402 3.663 20 5 FHBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000041775970 943707931 /nfs/dbraw/zinc/70/79/31/943707931.db2.gz UIZAARLIERFZQP-UHFFFAOYSA-N -1 3 357.297 3.650 20 5 FHBDHM CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000517758916 944580089 /nfs/dbraw/zinc/58/00/89/944580089.db2.gz GHXRHYIBRFNZLT-UHFFFAOYSA-N -1 3 373.409 3.715 20 5 FHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c(F)c1 ZINC000517869496 944746781 /nfs/dbraw/zinc/74/67/81/944746781.db2.gz GSYSPZOSOJXYEW-KRWDZBQOSA-N -1 3 364.398 3.554 20 5 FHBDHM O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000436995771 944892233 /nfs/dbraw/zinc/89/22/33/944892233.db2.gz IVBSJEHSGSCFPJ-UHFFFAOYSA-N -1 3 351.362 3.820 20 5 FHBDHM C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2c([O-])cccc21 ZINC000186328436 946923316 /nfs/dbraw/zinc/92/33/16/946923316.db2.gz MMZXTEJLRQQXMG-LLVKDONJSA-N -1 3 351.362 3.936 20 5 FHBDHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003437 947425531 /nfs/dbraw/zinc/42/55/31/947425531.db2.gz HTIQQEQFTZFATQ-VOTSOKGWSA-N -1 3 368.374 3.575 20 5 FHBDHM O=[N+]([O-])c1cccc(F)c1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826499376 948415083 /nfs/dbraw/zinc/41/50/83/948415083.db2.gz GOYHSZBHPYOLOQ-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1cccc(F)c1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826499376 948415090 /nfs/dbraw/zinc/41/50/90/948415090.db2.gz GOYHSZBHPYOLOQ-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064867436 568027197 /nfs/dbraw/zinc/02/71/97/568027197.db2.gz GJZDFXGWDIRAAZ-UHFFFAOYSA-N -1 3 373.419 3.700 20 5 FHBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000568567259 568053112 /nfs/dbraw/zinc/05/31/12/568053112.db2.gz TXCGKZHPOZYUIK-UHFFFAOYSA-N -1 3 350.758 3.670 20 5 FHBDHM O=[N+]([O-])c1ccc(NCC2(c3cccc(Cl)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368372 598855771 /nfs/dbraw/zinc/85/57/71/598855771.db2.gz CRWYYONAOFFDQZ-UHFFFAOYSA-N -1 3 370.800 3.572 20 5 FHBDHM O=[N+]([O-])c1ccc(NCC2(c3cccc(Cl)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000738368372 598855772 /nfs/dbraw/zinc/85/57/72/598855772.db2.gz CRWYYONAOFFDQZ-UHFFFAOYSA-N -1 3 370.800 3.572 20 5 FHBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000820151691 599154885 /nfs/dbraw/zinc/15/48/85/599154885.db2.gz MWERBMLIQAWZOE-GFCCVEGCSA-N -1 3 368.397 3.735 20 5 FHBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000820151691 599154888 /nfs/dbraw/zinc/15/48/88/599154888.db2.gz MWERBMLIQAWZOE-GFCCVEGCSA-N -1 3 368.397 3.735 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000738360296 598459593 /nfs/dbraw/zinc/45/95/93/598459593.db2.gz VGJVAYAIRBANQD-OAHLLOKOSA-N -1 3 364.409 3.549 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](c2ccccc2)CC1 ZINC000738360296 598459595 /nfs/dbraw/zinc/45/95/95/598459595.db2.gz VGJVAYAIRBANQD-OAHLLOKOSA-N -1 3 364.409 3.549 20 5 FHBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nnn[n-]3)cc2Cl)ccc2ncccc21 ZINC000738359499 598744497 /nfs/dbraw/zinc/74/44/97/598744497.db2.gz SFBCLJOQFFOQBF-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2Cl)ccc2ncccc21 ZINC000738359499 598744499 /nfs/dbraw/zinc/74/44/99/598744499.db2.gz SFBCLJOQFFOQBF-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1C ZINC000822299599 599578179 /nfs/dbraw/zinc/57/81/79/599578179.db2.gz OJFUOQHYYINVSI-INIZCTEOSA-N -1 3 364.409 3.733 20 5 FHBDHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1C ZINC000822299599 599578182 /nfs/dbraw/zinc/57/81/82/599578182.db2.gz OJFUOQHYYINVSI-INIZCTEOSA-N -1 3 364.409 3.733 20 5 FHBDHM Cc1c([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000829860372 604943658 /nfs/dbraw/zinc/94/36/58/604943658.db2.gz YBBVSNRNJJNYFY-CQSZACIVSA-N -1 3 357.410 3.564 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000820925128 606644690 /nfs/dbraw/zinc/64/46/90/606644690.db2.gz DSGGHZSRCGOBSO-CQSZACIVSA-N -1 3 358.789 3.992 20 5 FHBDHM O=[N+]([O-])c1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000823635473 606984533 /nfs/dbraw/zinc/98/45/33/606984533.db2.gz XLYBJKUZVQNLGU-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000823635473 606984534 /nfs/dbraw/zinc/98/45/34/606984534.db2.gz XLYBJKUZVQNLGU-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM CSc1cccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000187067887 927895946 /nfs/dbraw/zinc/89/59/46/927895946.db2.gz DJSAHIRHKSPAAR-UHFFFAOYSA-N -1 3 361.427 3.666 20 5 FHBDHM COc1cc(CNc2ccc3c(cnn3C(C)C)c2)c([N+](=O)[O-])cc1[O-] ZINC000610910918 934615071 /nfs/dbraw/zinc/61/50/71/934615071.db2.gz KNFQYTZKRGHAJF-UHFFFAOYSA-N -1 3 356.382 3.852 20 5 FHBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611989594 936122377 /nfs/dbraw/zinc/12/23/77/936122377.db2.gz OFVPIJDAAQJWMQ-UHFFFAOYSA-N -1 3 359.407 3.982 20 5 FHBDHM CC(C)([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728591435 938913845 /nfs/dbraw/zinc/91/38/45/938913845.db2.gz AOOISDSDRCUOMK-UHFFFAOYSA-N -1 3 372.805 3.601 20 5 FHBDHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000431594192 938992578 /nfs/dbraw/zinc/99/25/78/938992578.db2.gz CIGSKIUOFHZAEG-UHFFFAOYSA-N -1 3 368.377 3.717 20 5 FHBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179279954 939056579 /nfs/dbraw/zinc/05/65/79/939056579.db2.gz UYVDNSYNNZUSSP-UHFFFAOYSA-N -1 3 373.781 3.758 20 5 FHBDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000440145075 945265827 /nfs/dbraw/zinc/26/58/27/945265827.db2.gz KUCJDBBWUGSHIR-KGLIPLIRSA-N -1 3 368.418 3.519 20 5 FHBDHM COc1ccc(-c2nnc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])s2)cc1 ZINC000136353989 939937408 /nfs/dbraw/zinc/93/74/08/939937408.db2.gz VWTAYPMEIIUPHK-UHFFFAOYSA-N -1 3 370.390 3.683 20 5 FHBDHM CC(C)[C@@H]1C[C@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC000582621654 940757364 /nfs/dbraw/zinc/75/73/64/940757364.db2.gz OBMGICPJRQPHAP-FXAWDEMLSA-N -1 3 354.406 3.808 20 5 FHBDHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000513653460 942057135 /nfs/dbraw/zinc/05/71/35/942057135.db2.gz RLZQUXVEBDWULM-UHFFFAOYSA-N -1 3 372.353 3.598 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000014099715 942454288 /nfs/dbraw/zinc/45/42/88/942454288.db2.gz AGNSSNLZAHGMFZ-ZDUSSCGKSA-N -1 3 354.815 3.678 20 5 FHBDHM O=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)nc2cc(Br)c(F)cc12 ZINC000504506493 943647680 /nfs/dbraw/zinc/64/76/80/943647680.db2.gz BQRRGUOCHDCMQL-UHFFFAOYSA-N -1 3 364.130 3.812 20 5 FHBDHM 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O=[N+]([O-])c1ccc(Cl)cc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823639949 606046705 /nfs/dbraw/zinc/04/67/05/606046705.db2.gz NGCWPTBDGPKPQJ-UHFFFAOYSA-N -1 3 366.164 3.661 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3cc(-c4nnn[n-]4)cs3)nc21 ZINC000823648613 606305131 /nfs/dbraw/zinc/30/51/31/606305131.db2.gz YRKDQROPPFSPOV-VOTSOKGWSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3cc(-c4nn[n-]n4)cs3)nc21 ZINC000823648613 606305133 /nfs/dbraw/zinc/30/51/33/606305133.db2.gz YRKDQROPPFSPOV-VOTSOKGWSA-N -1 3 350.363 3.555 20 5 FHBDHM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ncccc1-c1nnn[n-]1 ZINC000823629591 606430786 /nfs/dbraw/zinc/43/07/86/606430786.db2.gz AYPKZWQTUCKEHU-UHFFFAOYSA-N -1 3 360.333 3.629 20 5 FHBDHM COc1ccc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207249 607983607 /nfs/dbraw/zinc/98/36/07/607983607.db2.gz GXZYXYJEGMSQLR-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826207249 607983608 /nfs/dbraw/zinc/98/36/08/607983608.db2.gz GXZYXYJEGMSQLR-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025424 936341606 /nfs/dbraw/zinc/34/16/06/936341606.db2.gz KIEPOJIXWOIYIM-UHFFFAOYSA-N -1 3 368.386 3.630 20 5 FHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cs1 ZINC000120079105 927080599 /nfs/dbraw/zinc/08/05/99/927080599.db2.gz LZQUSOVDVHPKAZ-UHFFFAOYSA-N -1 3 353.208 3.764 20 5 FHBDHM CSc1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000583401327 937410512 /nfs/dbraw/zinc/41/05/12/937410512.db2.gz KVEDOKYZCCIGQG-UHFFFAOYSA-N -1 3 374.241 3.788 20 5 FHBDHM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000581267143 931764544 /nfs/dbraw/zinc/76/45/44/931764544.db2.gz SMIZMHLMPARFAT-NSHDSACASA-N -1 3 360.391 3.622 20 5 FHBDHM O=C(Nc1ccccc1Oc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187542962 932998464 /nfs/dbraw/zinc/99/84/64/932998464.db2.gz CDQPECKLWDBOCK-UHFFFAOYSA-N -1 3 351.318 3.740 20 5 FHBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)ccc1F ZINC000066577143 940684991 /nfs/dbraw/zinc/68/49/91/940684991.db2.gz HGTCCUIKWVJWDE-BQYQJAHWSA-N -1 3 356.762 3.800 20 5 FHBDHM O=C(Oc1ccc(F)c(C(F)(F)F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001269384543 943232970 /nfs/dbraw/zinc/23/29/70/943232970.db2.gz ADZIVTXHCOVZAY-UHFFFAOYSA-N -1 3 369.230 3.848 20 5 FHBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000515730498 944166710 /nfs/dbraw/zinc/16/67/10/944166710.db2.gz HADXOZIZQVFNCC-HNNXBMFYSA-N -1 3 352.387 3.554 20 5 FHBDHM Cc1ccc(-c2cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)[nH]n2)c(C)c1 ZINC000436728954 944575395 /nfs/dbraw/zinc/57/53/95/944575395.db2.gz DVMRATIONALKMC-UHFFFAOYSA-N -1 3 352.350 3.560 20 5 FHBDHM O=C([N-]c1ccc(Br)c2cccnc12)c1ccc([N+](=O)[O-])o1 ZINC000511934690 947036911 /nfs/dbraw/zinc/03/69/11/947036911.db2.gz LXUKXAXNNPMSRI-UHFFFAOYSA-N -1 3 362.139 3.751 20 5 FHBDHM Cc1cc2sc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)nc2c(C)c1 ZINC000603483884 568105901 /nfs/dbraw/zinc/10/59/01/568105901.db2.gz DAMNIUYRIFDLAJ-UHFFFAOYSA-N -1 3 367.390 3.950 20 5 FHBDHM COC(=O)c1csc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000569650857 568407422 /nfs/dbraw/zinc/40/74/22/568407422.db2.gz VHFHKVSBAKRPIH-UHFFFAOYSA-N -1 3 374.296 3.714 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CC1CC1)c1ccccc1 ZINC000823630516 599053442 /nfs/dbraw/zinc/05/34/42/599053442.db2.gz ZHRSFGAFGVYTBG-INIZCTEOSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CC1CC1)c1ccccc1 ZINC000823630516 599053445 /nfs/dbraw/zinc/05/34/45/599053445.db2.gz ZHRSFGAFGVYTBG-INIZCTEOSA-N -1 3 350.382 3.728 20 5 FHBDHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820668312 599060322 /nfs/dbraw/zinc/06/03/22/599060322.db2.gz RNDDRPHLWKVWNV-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820668312 599060324 /nfs/dbraw/zinc/06/03/24/599060324.db2.gz RNDDRPHLWKVWNV-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820925484 599095724 /nfs/dbraw/zinc/09/57/24/599095724.db2.gz IUTQLCJOPCCYGG-CYBMUJFWSA-N -1 3 358.789 3.992 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820925484 599095726 /nfs/dbraw/zinc/09/57/26/599095726.db2.gz IUTQLCJOPCCYGG-CYBMUJFWSA-N -1 3 358.789 3.992 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCCc2ccccc21 ZINC000738358631 598245768 /nfs/dbraw/zinc/24/57/68/598245768.db2.gz NTXWSVRQPGMOJV-OAHLLOKOSA-N -1 3 350.382 3.655 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCCc2ccccc21 ZINC000738358631 598245770 /nfs/dbraw/zinc/24/57/70/598245770.db2.gz NTXWSVRQPGMOJV-OAHLLOKOSA-N -1 3 350.382 3.655 20 5 FHBDHM O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000738367624 598537305 /nfs/dbraw/zinc/53/73/05/598537305.db2.gz WNUJEHVKYYSGKD-UHFFFAOYSA-N -1 3 356.392 3.536 20 5 FHBDHM O=[N+]([O-])c1ccc2nc(Sc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000738367624 598537307 /nfs/dbraw/zinc/53/73/07/598537307.db2.gz WNUJEHVKYYSGKD-UHFFFAOYSA-N -1 3 356.392 3.536 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccc(F)cc2)C2CCC2)c(-c2nnn[n-]2)c1 ZINC000738368346 598796729 /nfs/dbraw/zinc/79/67/29/598796729.db2.gz COSPBWQXXUWLTO-KRWDZBQOSA-N -1 3 368.372 3.867 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccc(F)cc2)C2CCC2)c(-c2nn[n-]n2)c1 ZINC000738368346 598796730 /nfs/dbraw/zinc/79/67/30/598796730.db2.gz COSPBWQXXUWLTO-KRWDZBQOSA-N -1 3 368.372 3.867 20 5 FHBDHM O=C([O-])NC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000834189509 605484101 /nfs/dbraw/zinc/48/41/01/605484101.db2.gz MQNKQDQRTUYQQB-UHFFFAOYSA-N -1 3 361.423 3.555 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000823645146 606303161 /nfs/dbraw/zinc/30/31/61/606303161.db2.gz OTOPXWFLIVQRGA-DUXPYHPUSA-N -1 3 356.392 3.617 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000823645146 606303162 /nfs/dbraw/zinc/30/31/62/606303162.db2.gz OTOPXWFLIVQRGA-DUXPYHPUSA-N -1 3 356.392 3.617 20 5 FHBDHM O=[N+]([O-])c1cc(CNc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000823635508 607126789 /nfs/dbraw/zinc/12/67/89/607126789.db2.gz YXGJPZAZMKPXAJ-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000823634220 607169312 /nfs/dbraw/zinc/16/93/12/607169312.db2.gz DSJIIFWAAWUESC-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000823634220 607169313 /nfs/dbraw/zinc/16/93/13/607169313.db2.gz DSJIIFWAAWUESC-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000070749205 928164477 /nfs/dbraw/zinc/16/44/77/928164477.db2.gz QMKIWKUBFFUYAS-UHFFFAOYSA-N -1 3 354.409 3.709 20 5 FHBDHM Cc1nccn1-c1ccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000559147870 928361521 /nfs/dbraw/zinc/36/15/21/928361521.db2.gz JWMVPCWJGFFKPW-ZDUSSCGKSA-N -1 3 352.394 3.645 20 5 FHBDHM Cc1cccc(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1[O-] ZINC000610506072 932030809 /nfs/dbraw/zinc/03/08/09/932030809.db2.gz ZDFSZWHAUKZQLV-UHFFFAOYSA-N -1 3 370.283 3.802 20 5 FHBDHM COc1cc(CNc2cnn(CC(C)C)c2C(F)F)c([N+](=O)[O-])cc1[O-] ZINC000478279493 935606125 /nfs/dbraw/zinc/60/61/25/935606125.db2.gz VIJZCMGMZIUFSZ-UHFFFAOYSA-N -1 3 370.356 3.711 20 5 FHBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c([O-])c1 ZINC000154888209 941726349 /nfs/dbraw/zinc/72/63/49/941726349.db2.gz KLSPMFRMZBXRIP-UHFFFAOYSA-N -1 3 351.156 3.624 20 5 FHBDHM O=C(Nc1cccc([O-])c1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129328939 941815449 /nfs/dbraw/zinc/81/54/49/941815449.db2.gz FGNJWMFJTKYPNW-UHFFFAOYSA-N -1 3 359.338 3.815 20 5 FHBDHM CC(C)[C@H](C(=O)[O-])[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424621540 944016294 /nfs/dbraw/zinc/01/62/94/944016294.db2.gz OBPZEGVGCFXVGU-ABAIWWIYSA-N -1 3 363.439 3.553 20 5 FHBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000517152852 944050090 /nfs/dbraw/zinc/05/00/90/944050090.db2.gz TZFMVVYCECZKKZ-OAHLLOKOSA-N -1 3 361.423 3.604 20 5 FHBDHM COc1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cc(Br)c1[O-] ZINC000439524363 944727830 /nfs/dbraw/zinc/72/78/30/944727830.db2.gz ZAVQQVFQFOSHFN-IHWYPQMZSA-N -1 3 351.156 3.637 20 5 FHBDHM C[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000820727422 945540399 /nfs/dbraw/zinc/54/03/99/945540399.db2.gz LYFDDGJSVRYHDA-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000820727422 945540404 /nfs/dbraw/zinc/54/04/04/945540404.db2.gz LYFDDGJSVRYHDA-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM O=C([N-]c1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc([N+](=O)[O-])o1 ZINC000121397232 946655998 /nfs/dbraw/zinc/65/59/98/946655998.db2.gz IDIMUQMPLKSUQE-UHFFFAOYSA-N -1 3 365.317 3.766 20 5 FHBDHM O=C([N-]c1nnc(C2CC2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064867433 568027218 /nfs/dbraw/zinc/02/72/18/568027218.db2.gz LWKQJTBYDPJCLU-UHFFFAOYSA-N -1 3 373.419 3.700 20 5 FHBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000007418553 568505504 /nfs/dbraw/zinc/50/55/04/568505504.db2.gz ZYPLTMGDJFBZIB-UHFFFAOYSA-N -1 3 362.741 3.636 20 5 FHBDHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820667094 599077294 /nfs/dbraw/zinc/07/72/94/599077294.db2.gz LBHLZFHTEKSKLW-BDJLRTHQSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820667094 599077297 /nfs/dbraw/zinc/07/72/97/599077297.db2.gz LBHLZFHTEKSKLW-BDJLRTHQSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000820548467 599222175 /nfs/dbraw/zinc/22/21/75/599222175.db2.gz AKXIAQFFVIKZEW-JTQLQIEISA-N -1 3 359.386 3.908 20 5 FHBDHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000820548467 599222177 /nfs/dbraw/zinc/22/21/77/599222177.db2.gz AKXIAQFFVIKZEW-JTQLQIEISA-N -1 3 359.386 3.908 20 5 FHBDHM O=[N+]([O-])c1cnc(Sc2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651696 599258175 /nfs/dbraw/zinc/25/81/75/599258175.db2.gz NUEOKBHXTVACQT-UHFFFAOYSA-N -1 3 369.193 3.628 20 5 FHBDHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196017 599268737 /nfs/dbraw/zinc/26/87/37/599268737.db2.gz IVUYVXMXJGRACE-LLVKDONJSA-N -1 3 372.816 3.621 20 5 FHBDHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196017 599268739 /nfs/dbraw/zinc/26/87/39/599268739.db2.gz IVUYVXMXJGRACE-LLVKDONJSA-N -1 3 372.816 3.621 20 5 FHBDHM C[C@@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000736190482 598500401 /nfs/dbraw/zinc/50/04/01/598500401.db2.gz FPTSJHFYYALMND-MRVPVSSYSA-N -1 3 362.802 3.677 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ccccc1)C1CCC1 ZINC000738360302 598796915 /nfs/dbraw/zinc/79/69/15/598796915.db2.gz VGYNSYIGXUYPTB-QGZVFWFLSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccc1)C1CCC1 ZINC000738360302 598796916 /nfs/dbraw/zinc/79/69/16/598796916.db2.gz VGYNSYIGXUYPTB-QGZVFWFLSA-N -1 3 350.382 3.728 20 5 FHBDHM C[C@H](c1ccc(Cl)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736198146 598814357 /nfs/dbraw/zinc/81/43/57/598814357.db2.gz GOLLZAIOGIJNMX-SNVBAGLBSA-N -1 3 358.789 3.626 20 5 FHBDHM C[C@H](c1ccc(Cl)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736198146 598814358 /nfs/dbraw/zinc/81/43/58/598814358.db2.gz GOLLZAIOGIJNMX-SNVBAGLBSA-N -1 3 358.789 3.626 20 5 FHBDHM COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)C)cc1 ZINC000821782677 599300178 /nfs/dbraw/zinc/30/01/78/599300178.db2.gz KEXJZMWAGVRXRV-QGZVFWFLSA-N -1 3 368.397 3.593 20 5 FHBDHM COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)C)cc1 ZINC000821782677 599300181 /nfs/dbraw/zinc/30/01/81/599300181.db2.gz KEXJZMWAGVRXRV-QGZVFWFLSA-N -1 3 368.397 3.593 20 5 FHBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737265072 599305702 /nfs/dbraw/zinc/30/57/02/599305702.db2.gz SILOMBRVOGSRSI-UHFFFAOYSA-N -1 3 367.152 3.577 20 5 FHBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737265072 599305705 /nfs/dbraw/zinc/30/57/05/599305705.db2.gz SILOMBRVOGSRSI-UHFFFAOYSA-N -1 3 367.152 3.577 20 5 FHBDHM COc1ccc([N+](=O)[O-])cc1CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737117495 599329599 /nfs/dbraw/zinc/32/95/99/599329599.db2.gz XDFYORNLGSWCKL-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc([N+](=O)[O-])cc1CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737117495 599329601 /nfs/dbraw/zinc/32/96/01/599329601.db2.gz XDFYORNLGSWCKL-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000823639838 606801424 /nfs/dbraw/zinc/80/14/24/606801424.db2.gz IMHFEOFAGQJNDI-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000823639838 606801425 /nfs/dbraw/zinc/80/14/25/606801425.db2.gz IMHFEOFAGQJNDI-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(F)cc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826498103 607844967 /nfs/dbraw/zinc/84/49/67/607844967.db2.gz HQAUXKSGEDPEDQ-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(F)cc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826498103 607844968 /nfs/dbraw/zinc/84/49/68/607844968.db2.gz HQAUXKSGEDPEDQ-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccccc2-c2nnn[n-]2)c2ccncc2)cc1 ZINC000826498533 607884532 /nfs/dbraw/zinc/88/45/32/607884532.db2.gz ZOXNWPLLRMCPOE-UYRXBGFRSA-N -1 3 370.372 3.759 20 5 FHBDHM O=[N+]([O-])c1ccc(C(=Cc2ccccc2-c2nn[n-]n2)c2ccncc2)cc1 ZINC000826498533 607884533 /nfs/dbraw/zinc/88/45/33/607884533.db2.gz ZOXNWPLLRMCPOE-UYRXBGFRSA-N -1 3 370.372 3.759 20 5 FHBDHM COc1ccc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826207408 607984145 /nfs/dbraw/zinc/98/41/45/607984145.db2.gz NASUCTDLFYWWPZ-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826207408 607984146 /nfs/dbraw/zinc/98/41/46/607984146.db2.gz NASUCTDLFYWWPZ-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM CCCC(CCC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825242202 608160932 /nfs/dbraw/zinc/16/09/32/608160932.db2.gz KWKMDEYEUVSUMY-UHFFFAOYSA-N -1 3 366.809 3.583 20 5 FHBDHM CCCC(CCC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825242202 608160933 /nfs/dbraw/zinc/16/09/33/608160933.db2.gz KWKMDEYEUVSUMY-UHFFFAOYSA-N -1 3 366.809 3.583 20 5 FHBDHM O=[N+]([O-])c1ccccc1-c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826500354 608869752 /nfs/dbraw/zinc/86/97/52/608869752.db2.gz VMAQCNCPBPCTIL-UHFFFAOYSA-N -1 3 362.349 3.647 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(F)c(-c4nnn[n-]4)c3)ccc21 ZINC000826500352 608878027 /nfs/dbraw/zinc/87/80/27/608878027.db2.gz VKDPBKZHZZKJGC-XQRVVYSFSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2nc(C=Cc3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC000826500352 608878028 /nfs/dbraw/zinc/87/80/28/608878028.db2.gz VKDPBKZHZZKJGC-XQRVVYSFSA-N -1 3 362.324 3.633 20 5 FHBDHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825149545 609569376 /nfs/dbraw/zinc/56/93/76/609569376.db2.gz ZYOKKMQWXRXWND-ZDUSSCGKSA-N -1 3 373.804 3.695 20 5 FHBDHM CC[C@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000825149545 609569379 /nfs/dbraw/zinc/56/93/79/609569379.db2.gz ZYOKKMQWXRXWND-ZDUSSCGKSA-N -1 3 373.804 3.695 20 5 FHBDHM CSc1ccc(C)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000519167612 945185584 /nfs/dbraw/zinc/18/55/84/945185584.db2.gz DGCNZUDBSHBIRI-UHFFFAOYSA-N -1 3 368.418 3.689 20 5 FHBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Cl)c1 ZINC000047521634 945260085 /nfs/dbraw/zinc/26/00/85/945260085.db2.gz KCNMYYJRBANRAP-UHFFFAOYSA-N -1 3 365.169 3.842 20 5 FHBDHM CN(c1ccccc1)c1ccc(CN2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000414682996 941436019 /nfs/dbraw/zinc/43/60/19/941436019.db2.gz OMPQUWRBKODSMN-SFHVURJKSA-N -1 3 369.421 3.802 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000514945313 943397008 /nfs/dbraw/zinc/39/70/08/943397008.db2.gz URJSRGCXDWXLGF-SFHVURJKSA-N -1 3 372.421 3.510 20 5 FHBDHM CSc1c(F)cccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000437384440 943768259 /nfs/dbraw/zinc/76/82/59/943768259.db2.gz JXNSXWDNIZLKRI-UHFFFAOYSA-N -1 3 372.381 3.520 20 5 FHBDHM O=C([O-])C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000417628346 943778801 /nfs/dbraw/zinc/77/88/01/943778801.db2.gz PGJCVBHDYQCZJA-LLVKDONJSA-N -1 3 372.299 3.598 20 5 FHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1c[nH]cc1-c1ccccc1 ZINC000517096636 943996426 /nfs/dbraw/zinc/99/64/26/943996426.db2.gz GZPYFHPAUQEPON-UHFFFAOYSA-N -1 3 373.372 3.654 20 5 FHBDHM CC(C)[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000439149678 944380881 /nfs/dbraw/zinc/38/08/81/944380881.db2.gz CXFPFCUCSDNQAF-LJQANCHMSA-N -1 3 364.405 3.785 20 5 FHBDHM CCc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000436830988 944677370 /nfs/dbraw/zinc/67/73/70/944677370.db2.gz FCEVJYDJOANQRT-GOSISDBHSA-N -1 3 358.419 3.751 20 5 FHBDHM Cc1cccc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000107165790 945496327 /nfs/dbraw/zinc/49/63/27/945496327.db2.gz VHTVUCVGMIWEBA-UHFFFAOYSA-N -1 3 372.381 3.737 20 5 FHBDHM Cc1cccc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000108208073 945889161 /nfs/dbraw/zinc/88/91/61/945889161.db2.gz LGZFZWCHGHFYRW-UHFFFAOYSA-N -1 3 372.381 3.737 20 5 FHBDHM CCC(C)(C)OCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000445001940 947425180 /nfs/dbraw/zinc/42/51/80/947425180.db2.gz XSLCYVVHUVAIDY-UHFFFAOYSA-N -1 3 373.409 3.961 20 5 FHBDHM O=C(Nc1nc(C=Cc2ccccc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445003436 947425221 /nfs/dbraw/zinc/42/52/21/947425221.db2.gz HTIQQEQFTZFATQ-SREVYHEPSA-N -1 3 368.374 3.575 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)s1 ZINC000512150737 948562482 /nfs/dbraw/zinc/56/24/82/948562482.db2.gz ZZTZDTGHWMUBKU-ZETCQYMHSA-N -1 3 366.873 3.801 20 5 FHBDHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000303745543 568280996 /nfs/dbraw/zinc/28/09/96/568280996.db2.gz AKDXVXYGUPNLNM-GFCCVEGCSA-N -1 3 368.842 3.639 20 5 FHBDHM O=C([O-])c1cccc(OCCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000569502260 568403838 /nfs/dbraw/zinc/40/38/38/568403838.db2.gz JGIDSAFJXUIQOT-KRWDZBQOSA-N -1 3 370.405 3.551 20 5 FHBDHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000569750234 568419942 /nfs/dbraw/zinc/41/99/42/568419942.db2.gz SFJFTCBYYSWEIM-UHFFFAOYSA-N -1 3 353.375 3.633 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738357118 598972172 /nfs/dbraw/zinc/97/21/72/598972172.db2.gz BYIHBWHKRYOIAL-RNCFNFMXSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000738357118 598972174 /nfs/dbraw/zinc/97/21/74/598972174.db2.gz BYIHBWHKRYOIAL-RNCFNFMXSA-N -1 3 374.763 3.535 20 5 FHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c2ccncc21 ZINC000823645144 599058973 /nfs/dbraw/zinc/05/89/73/599058973.db2.gz ORCDWHOBUMJKQG-UHFFFAOYSA-N -1 3 368.353 3.613 20 5 FHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c2ccncc21 ZINC000823645144 599058976 /nfs/dbraw/zinc/05/89/76/599058976.db2.gz ORCDWHOBUMJKQG-UHFFFAOYSA-N -1 3 368.353 3.613 20 5 FHBDHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820669221 599060004 /nfs/dbraw/zinc/06/00/04/599060004.db2.gz ZXPMPUPJRUJVGI-MEDUHNTESA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820669221 599060006 /nfs/dbraw/zinc/06/00/06/599060006.db2.gz ZXPMPUPJRUJVGI-MEDUHNTESA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820669220 599060253 /nfs/dbraw/zinc/06/02/53/599060253.db2.gz ZXPMPUPJRUJVGI-BZNIZROVSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820669220 599060255 /nfs/dbraw/zinc/06/02/55/599060255.db2.gz ZXPMPUPJRUJVGI-BZNIZROVSA-N -1 3 368.372 3.502 20 5 FHBDHM CCOc1ccccc1[C@H](CC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736653719 598246590 /nfs/dbraw/zinc/24/65/90/598246590.db2.gz LNZMJNYJDOCKJW-AWEZNQCLSA-N -1 3 368.397 3.737 20 5 FHBDHM CCOc1ccccc1[C@H](CC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736653719 598246591 /nfs/dbraw/zinc/24/65/91/598246591.db2.gz LNZMJNYJDOCKJW-AWEZNQCLSA-N -1 3 368.397 3.737 20 5 FHBDHM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736194906 598813826 /nfs/dbraw/zinc/81/38/26/598813826.db2.gz DUMROMFKILDXIJ-NSHDSACASA-N -1 3 364.365 3.719 20 5 FHBDHM C[C@@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736194906 598813827 /nfs/dbraw/zinc/81/38/27/598813827.db2.gz DUMROMFKILDXIJ-NSHDSACASA-N -1 3 364.365 3.719 20 5 FHBDHM C[C@@H](SCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736188164 599325764 /nfs/dbraw/zinc/32/57/64/599325764.db2.gz HXUKZTGXAFWUHQ-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@@H](SCCOc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736188164 599325765 /nfs/dbraw/zinc/32/57/65/599325765.db2.gz HXUKZTGXAFWUHQ-GFCCVEGCSA-N -1 3 371.422 3.648 20 5 FHBDHM C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820462513 599352543 /nfs/dbraw/zinc/35/25/43/599352543.db2.gz YAWVQJAEOQTGLU-VIFPVBQESA-N -1 3 367.394 3.558 20 5 FHBDHM C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820462513 599352545 /nfs/dbraw/zinc/35/25/45/599352545.db2.gz YAWVQJAEOQTGLU-VIFPVBQESA-N -1 3 367.394 3.558 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2ccc(Cl)cc2-c2nnn[n-]2)cs1 ZINC000823634969 606631584 /nfs/dbraw/zinc/63/15/84/606631584.db2.gz PAQHRRSRNKUCOB-UHFFFAOYSA-N -1 3 353.816 3.782 20 5 FHBDHM O=[N+]([O-])c1cc(CSc2ccc(Cl)cc2-c2nn[n-]n2)cs1 ZINC000823634969 606631585 /nfs/dbraw/zinc/63/15/85/606631585.db2.gz PAQHRRSRNKUCOB-UHFFFAOYSA-N -1 3 353.816 3.782 20 5 FHBDHM COc1ccc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826207407 607984235 /nfs/dbraw/zinc/98/42/35/607984235.db2.gz NASUCTDLFYWWPZ-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826207407 607984236 /nfs/dbraw/zinc/98/42/36/607984236.db2.gz NASUCTDLFYWWPZ-LLVKDONJSA-N -1 3 371.422 3.778 20 5 FHBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000826499373 608191726 /nfs/dbraw/zinc/19/17/26/608191726.db2.gz GMSMSAYNWOOAEX-UHFFFAOYSA-N -1 3 365.321 3.528 20 5 FHBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826499373 608191727 /nfs/dbraw/zinc/19/17/27/608191727.db2.gz GMSMSAYNWOOAEX-UHFFFAOYSA-N -1 3 365.321 3.528 20 5 FHBDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000826187069 609484704 /nfs/dbraw/zinc/48/47/04/609484704.db2.gz YISLRCQAEQOEQN-UHFFFAOYSA-N -1 3 368.397 3.519 20 5 FHBDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000826187069 609484707 /nfs/dbraw/zinc/48/47/07/609484707.db2.gz YISLRCQAEQOEQN-UHFFFAOYSA-N -1 3 368.397 3.519 20 5 FHBDHM CC(=O)Nc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1-c1ccccc1 ZINC000187034035 927859914 /nfs/dbraw/zinc/85/99/14/927859914.db2.gz QIZFBVGZAACMHJ-UHFFFAOYSA-N -1 3 372.362 3.522 20 5 FHBDHM Cc1sc(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000126564370 932255374 /nfs/dbraw/zinc/25/53/74/932255374.db2.gz XKADPBYLFXRPFS-UHFFFAOYSA-N -1 3 357.185 3.685 20 5 FHBDHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000536209348 938585626 /nfs/dbraw/zinc/58/56/26/938585626.db2.gz NRXIKNIDTYZNEC-UHFFFAOYSA-N -1 3 351.156 3.624 20 5 FHBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncsc1C(F)(F)F ZINC000548995811 940462611 /nfs/dbraw/zinc/46/26/11/940462611.db2.gz OIBYFAWZXAIKTC-UHFFFAOYSA-N -1 3 361.301 3.721 20 5 FHBDHM CSc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)ccc1F ZINC000501846193 942717602 /nfs/dbraw/zinc/71/76/02/942717602.db2.gz KDLBABJNEHCMSL-UHFFFAOYSA-N -1 3 372.381 3.520 20 5 FHBDHM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503082081 942965597 /nfs/dbraw/zinc/96/55/97/942965597.db2.gz FAYRLDSDXYCATN-HNNXBMFYSA-N -1 3 371.437 3.930 20 5 FHBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000736139444 944749437 /nfs/dbraw/zinc/74/94/37/944749437.db2.gz QQVVQTHERPPFDW-SECBINFHSA-N -1 3 367.394 3.558 20 5 FHBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccs1 ZINC000736139444 944749453 /nfs/dbraw/zinc/74/94/53/944749453.db2.gz QQVVQTHERPPFDW-SECBINFHSA-N -1 3 367.394 3.558 20 5 FHBDHM Cc1cccc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000107199571 945517808 /nfs/dbraw/zinc/51/78/08/945517808.db2.gz HPLMIUMRFRSRST-UHFFFAOYSA-N -1 3 354.391 3.598 20 5 FHBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000519749622 945715285 /nfs/dbraw/zinc/71/52/85/945715285.db2.gz XJLXQNVITAPNQQ-VQIMIIECSA-N -1 3 360.385 3.792 20 5 FHBDHM O=C(Nc1cc(F)ccc1[O-])c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444243479 946117629 /nfs/dbraw/zinc/11/76/29/946117629.db2.gz ILBKQUKNZMGJIZ-UHFFFAOYSA-N -1 3 366.323 3.917 20 5 FHBDHM Cc1nc(C(C)C)sc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523157441 946958765 /nfs/dbraw/zinc/95/87/65/946958765.db2.gz ATNABJNMBNORPQ-UHFFFAOYSA-N -1 3 371.422 3.547 20 5 FHBDHM O=C([N-]c1cc(Cl)cc(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000441587108 948323140 /nfs/dbraw/zinc/32/31/40/948323140.db2.gz HGWKRLGRKIHKKB-UHFFFAOYSA-N -1 3 370.695 3.550 20 5 FHBDHM Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c([O-])c1C ZINC000436588137 567947035 /nfs/dbraw/zinc/94/70/35/567947035.db2.gz HFXHTDVJRPZZEK-SFHVURJKSA-N -1 3 358.419 3.805 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CC1CC1)c1ccccc1 ZINC000823630517 599054046 /nfs/dbraw/zinc/05/40/46/599054046.db2.gz ZHRSFGAFGVYTBG-MRXNPFEDSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CC1CC1)c1ccccc1 ZINC000823630517 599054047 /nfs/dbraw/zinc/05/40/47/599054047.db2.gz ZHRSFGAFGVYTBG-MRXNPFEDSA-N -1 3 350.382 3.728 20 5 FHBDHM COc1ccccc1[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821883376 599068253 /nfs/dbraw/zinc/06/82/53/599068253.db2.gz UQSLMNZKXHOJBD-SNVBAGLBSA-N -1 3 357.395 3.637 20 5 FHBDHM COc1ccccc1[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821883376 599068256 /nfs/dbraw/zinc/06/82/56/599068256.db2.gz UQSLMNZKXHOJBD-SNVBAGLBSA-N -1 3 357.395 3.637 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000738358186 599170234 /nfs/dbraw/zinc/17/02/34/599170234.db2.gz AMYUPSLVLOSOGR-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000738358186 599170236 /nfs/dbraw/zinc/17/02/36/599170236.db2.gz AMYUPSLVLOSOGR-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM Cc1ccccc1[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000737425083 598774483 /nfs/dbraw/zinc/77/44/83/598774483.db2.gz YSZPFBQOPBYYLP-KRWDZBQOSA-N -1 3 350.382 3.647 20 5 FHBDHM Cc1ccccc1[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000737425083 598774485 /nfs/dbraw/zinc/77/44/85/598774485.db2.gz YSZPFBQOPBYYLP-KRWDZBQOSA-N -1 3 350.382 3.647 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000823645149 606303432 /nfs/dbraw/zinc/30/34/32/606303432.db2.gz OTOPXWFLIVQRGA-RQOWECAXSA-N -1 3 356.392 3.617 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000823645149 606303435 /nfs/dbraw/zinc/30/34/35/606303435.db2.gz OTOPXWFLIVQRGA-RQOWECAXSA-N -1 3 356.392 3.617 20 5 FHBDHM CC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820924830 606479323 /nfs/dbraw/zinc/47/93/23/606479323.db2.gz ACKYFXBJRDBOHU-AWEZNQCLSA-N -1 3 360.324 3.616 20 5 FHBDHM CC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820924830 606479325 /nfs/dbraw/zinc/47/93/25/606479325.db2.gz ACKYFXBJRDBOHU-AWEZNQCLSA-N -1 3 360.324 3.616 20 5 FHBDHM O=[N+]([O-])c1cccc(F)c1CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823647869 606631644 /nfs/dbraw/zinc/63/16/44/606631644.db2.gz OSMMXQCBCOVVTK-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1cccc(F)c1CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823647869 606631646 /nfs/dbraw/zinc/63/16/46/606631646.db2.gz OSMMXQCBCOVVTK-UHFFFAOYSA-N -1 3 365.777 3.860 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823640278 606801298 /nfs/dbraw/zinc/80/12/98/606801298.db2.gz ZZTDVIDDNTWTML-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823640278 606801300 /nfs/dbraw/zinc/80/13/00/606801300.db2.gz ZZTDVIDDNTWTML-UHFFFAOYSA-N -1 3 365.180 3.694 20 5 FHBDHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825149544 609569333 /nfs/dbraw/zinc/56/93/33/609569333.db2.gz ZYOKKMQWXRXWND-CYBMUJFWSA-N -1 3 373.804 3.695 20 5 FHBDHM CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000825149544 609569335 /nfs/dbraw/zinc/56/93/35/609569335.db2.gz ZYOKKMQWXRXWND-CYBMUJFWSA-N -1 3 373.804 3.695 20 5 FHBDHM COc1cc(CN[C@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])cc1[O-] ZINC000583232861 937262721 /nfs/dbraw/zinc/26/27/21/937262721.db2.gz HCKJIQUSHILJFI-JTQLQIEISA-N -1 3 354.815 3.801 20 5 FHBDHM CC1(C)CC[C@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC000580224628 930378199 /nfs/dbraw/zinc/37/81/99/930378199.db2.gz VUUJSYWRLDINCA-HXUWFJFHSA-N -1 3 354.406 3.736 20 5 FHBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)c(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC000158080316 934712745 /nfs/dbraw/zinc/71/27/45/934712745.db2.gz DSGPPWNGQGWGCN-UHFFFAOYSA-N -1 3 370.695 3.565 20 5 FHBDHM COc1c([O-])ccc(CNc2ccccc2OCC(F)F)c1[N+](=O)[O-] ZINC000892294676 936030949 /nfs/dbraw/zinc/03/09/49/936030949.db2.gz WSKLEYSGBLZEGF-UHFFFAOYSA-N -1 3 354.309 3.565 20 5 FHBDHM CC(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2s1 ZINC000519187525 945202160 /nfs/dbraw/zinc/20/21/60/945202160.db2.gz QQDWUTDIFWLBQL-UHFFFAOYSA-N -1 3 358.379 3.681 20 5 FHBDHM Cc1c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000122249340 941306887 /nfs/dbraw/zinc/30/68/87/941306887.db2.gz KLQCOAMLUOIOGC-UHFFFAOYSA-N -1 3 354.406 3.704 20 5 FHBDHM COC(=O)c1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC000180364496 942357534 /nfs/dbraw/zinc/35/75/34/942357534.db2.gz FDZMFOMXTJNTPY-UHFFFAOYSA-N -1 3 370.695 3.565 20 5 FHBDHM CC(=O)c1ccc(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1[O-] ZINC000412381653 942981886 /nfs/dbraw/zinc/98/18/86/942981886.db2.gz UNHBJIDYLSBJOL-INIZCTEOSA-N -1 3 368.389 3.523 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424256626 943808381 /nfs/dbraw/zinc/80/83/81/943808381.db2.gz JIQPLIKEWKIEIW-OAHLLOKOSA-N -1 3 350.415 3.601 20 5 FHBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000519889215 945859241 /nfs/dbraw/zinc/85/92/41/945859241.db2.gz ANZVBOSLAMSNBQ-HNNXBMFYSA-N -1 3 360.435 3.686 20 5 FHBDHM O=C([N-]c1nc(-c2ccc3ccccc3c2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000126758723 946954881 /nfs/dbraw/zinc/95/48/81/946954881.db2.gz XXKBQZCQGDLALX-UHFFFAOYSA-N -1 3 365.374 3.847 20 5 FHBDHM O=C([N-]c1cc(F)cc(F)c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445250503 947646838 /nfs/dbraw/zinc/64/68/38/947646838.db2.gz OGFXAMPQRSUHTJ-UHFFFAOYSA-N -1 3 363.139 3.949 20 5 FHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)s1 ZINC000512150729 948562437 /nfs/dbraw/zinc/56/24/37/948562437.db2.gz ZZTZDTGHWMUBKU-SSDOTTSWSA-N -1 3 366.873 3.801 20 5 FHBDHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000568361948 568033507 /nfs/dbraw/zinc/03/35/07/568033507.db2.gz RTECRMVWRHQKQO-SECBINFHSA-N -1 3 365.183 3.805 20 5 FHBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc2ccccc21 ZINC000604019500 568199700 /nfs/dbraw/zinc/19/97/00/568199700.db2.gz HBMBYVKNEHZTQO-LBPRGKRZSA-N -1 3 374.393 3.927 20 5 FHBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000570454147 568478124 /nfs/dbraw/zinc/47/81/24/568478124.db2.gz UKULERMXRBHBRO-GFCCVEGCSA-N -1 3 364.365 3.652 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H](CC2CC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640170 599054141 /nfs/dbraw/zinc/05/41/41/599054141.db2.gz WKKCKBYBSWUBAI-QGZVFWFLSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H](CC2CC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640170 599054144 /nfs/dbraw/zinc/05/41/44/599054144.db2.gz WKKCKBYBSWUBAI-QGZVFWFLSA-N -1 3 350.382 3.728 20 5 FHBDHM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820667140 599077268 /nfs/dbraw/zinc/07/72/68/599077268.db2.gz LGBLCYJNCMBEDS-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820667140 599077270 /nfs/dbraw/zinc/07/72/70/599077270.db2.gz LGBLCYJNCMBEDS-APPDUMDISA-N -1 3 368.372 3.502 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738368951 598246076 /nfs/dbraw/zinc/24/60/76/598246076.db2.gz GJGXLAGFMKMDBW-INIZCTEOSA-N -1 3 350.382 3.655 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738368951 598246078 /nfs/dbraw/zinc/24/60/78/598246078.db2.gz GJGXLAGFMKMDBW-INIZCTEOSA-N -1 3 350.382 3.655 20 5 FHBDHM Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000737420211 598774564 /nfs/dbraw/zinc/77/45/64/598774564.db2.gz HIZFZBSSLMTSMD-QGZVFWFLSA-N -1 3 350.382 3.647 20 5 FHBDHM Cc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000737420211 598774565 /nfs/dbraw/zinc/77/45/65/598774565.db2.gz HIZFZBSSLMTSMD-QGZVFWFLSA-N -1 3 350.382 3.647 20 5 FHBDHM COc1ccc([N+](=O)[O-])cc1CS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737117496 599329576 /nfs/dbraw/zinc/32/95/76/599329576.db2.gz XDFYORNLGSWCKL-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM COc1ccc([N+](=O)[O-])cc1CS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737117496 599329577 /nfs/dbraw/zinc/32/95/77/599329577.db2.gz XDFYORNLGSWCKL-NSHDSACASA-N -1 3 371.422 3.778 20 5 FHBDHM CCc1ccc([C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821481819 599578716 /nfs/dbraw/zinc/57/87/16/599578716.db2.gz OTZHFTTVLGLMFJ-MRXNPFEDSA-N -1 3 368.397 3.662 20 5 FHBDHM CCc1ccc([C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821481819 599578717 /nfs/dbraw/zinc/57/87/17/599578717.db2.gz OTZHFTTVLGLMFJ-MRXNPFEDSA-N -1 3 368.397 3.662 20 5 FHBDHM Cc1c(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000738289731 599791616 /nfs/dbraw/zinc/79/16/16/599791616.db2.gz SYMZQYLKWMGAHB-HNNXBMFYSA-N -1 3 368.311 3.838 20 5 FHBDHM Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCC(=O)[O-] ZINC000832882622 601235230 /nfs/dbraw/zinc/23/52/30/601235230.db2.gz LDWRHRXOJXRTQA-UHFFFAOYSA-N -1 3 372.421 3.700 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000823644657 606388356 /nfs/dbraw/zinc/38/83/56/606388356.db2.gz JXKUQDZBOMPLJV-ZZXKWVIFSA-N -1 3 356.392 3.617 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826499240 607885103 /nfs/dbraw/zinc/88/51/03/607885103.db2.gz AVAZWHNAHXVWOJ-GHXNOFRVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826499240 607885104 /nfs/dbraw/zinc/88/51/04/607885104.db2.gz AVAZWHNAHXVWOJ-GHXNOFRVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc2c1 ZINC000826499374 607916283 /nfs/dbraw/zinc/91/62/83/607916283.db2.gz GNMAZUOUBPOWRB-KXFIGUGUSA-N -1 3 368.353 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc2sc(C=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc2c1 ZINC000826499374 607916284 /nfs/dbraw/zinc/91/62/84/607916284.db2.gz GNMAZUOUBPOWRB-KXFIGUGUSA-N -1 3 368.353 3.694 20 5 FHBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1-c1ccccc1 ZINC000826499316 608046709 /nfs/dbraw/zinc/04/67/09/608046709.db2.gz DRUKJWMSFGLUND-UHFFFAOYSA-N -1 3 360.333 3.629 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(F)c(-c4nnn[n-]4)c3)nc21 ZINC000826500457 608878242 /nfs/dbraw/zinc/87/82/42/608878242.db2.gz YZGWSSYVGVHQRX-QPJJXVBHSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3ccc(F)c(-c4nn[n-]n4)c3)nc21 ZINC000826500457 608878244 /nfs/dbraw/zinc/87/82/44/608878244.db2.gz YZGWSSYVGVHQRX-QPJJXVBHSA-N -1 3 362.324 3.633 20 5 FHBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cs1 ZINC000120086322 927136957 /nfs/dbraw/zinc/13/69/57/927136957.db2.gz SYYOYUXQLGIFHK-UHFFFAOYSA-N -1 3 353.208 3.764 20 5 FHBDHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000014256447 935076470 /nfs/dbraw/zinc/07/64/70/935076470.db2.gz WOEXGGOVARIZAX-UHFFFAOYSA-N -1 3 352.387 3.733 20 5 FHBDHM CC(C)C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000263464983 935214957 /nfs/dbraw/zinc/21/49/57/935214957.db2.gz FXDWUWSDOHUKHR-ZDUSSCGKSA-N -1 3 363.439 3.555 20 5 FHBDHM Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000078751557 945163152 /nfs/dbraw/zinc/16/31/52/945163152.db2.gz BBSHOGYSLGXJAV-UHFFFAOYSA-N -1 3 351.156 3.624 20 5 FHBDHM COC(=O)c1cc([N-]C(=O)c2coc(C3CCCC3)n2)c(C)c([N+](=O)[O-])c1 ZINC000511392463 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FHBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c2ncccc12 ZINC000826499804 608186632 /nfs/dbraw/zinc/18/66/32/608186632.db2.gz YDRQHVBTDKWIBS-UHFFFAOYSA-N -1 3 368.353 3.613 20 5 FHBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1c(F)ccc(F)c1F ZINC000120620314 929108279 /nfs/dbraw/zinc/10/82/79/929108279.db2.gz MCYNGSNNRUMQNS-UHFFFAOYSA-N -1 3 362.210 3.866 20 5 FHBDHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000581267142 931764250 /nfs/dbraw/zinc/76/42/50/931764250.db2.gz SMIZMHLMPARFAT-LLVKDONJSA-N -1 3 360.391 3.622 20 5 FHBDHM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2 ZINC000060525161 932041162 /nfs/dbraw/zinc/04/11/62/932041162.db2.gz RKAFFEPYPUOEMW-UHFFFAOYSA-N -1 3 366.420 3.636 20 5 FHBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000187560209 933002181 /nfs/dbraw/zinc/00/21/81/933002181.db2.gz ARMXMCJLLSMXPO-UHFFFAOYSA-N -1 3 365.345 3.764 20 5 FHBDHM COC(=O)c1cc(Cl)c(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000431168281 933997498 /nfs/dbraw/zinc/99/74/98/933997498.db2.gz ODWKHPRYLRUMHD-UHFFFAOYSA-N -1 3 359.121 3.534 20 5 FHBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000610786725 934186107 /nfs/dbraw/zinc/18/61/07/934186107.db2.gz UBDCTZLRQDIXGU-LJQANCHMSA-N -1 3 355.438 3.617 20 5 FHBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000091955044 938909041 /nfs/dbraw/zinc/90/90/41/938909041.db2.gz AZBLHGDMSNCZDD-UHFFFAOYSA-N -1 3 352.394 3.556 20 5 FHBDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000364486614 939947799 /nfs/dbraw/zinc/94/77/99/939947799.db2.gz UOZWFBWRLRLPCV-UHFFFAOYSA-N -1 3 364.361 3.627 20 5 FHBDHM O=C(Nc1ccc([O-])cc1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000124518941 945304550 /nfs/dbraw/zinc/30/45/50/945304550.db2.gz SVMWNYSVUMBYOW-UHFFFAOYSA-N -1 3 374.246 3.633 20 5 FHBDHM O=C([O-])C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000417630807 943767797 /nfs/dbraw/zinc/76/77/97/943767797.db2.gz RPORFZGOGGEZIQ-LLVKDONJSA-N 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COc1cccc(C(=O)[N-]c2nc(-c3ccccc3F)co2)c1[N+](=O)[O-] ZINC000482128449 568268774 /nfs/dbraw/zinc/26/87/74/568268774.db2.gz QYQGWJYIONJHIF-UHFFFAOYSA-N -1 3 357.297 3.650 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H](CC2CC2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823640169 599053993 /nfs/dbraw/zinc/05/39/93/599053993.db2.gz WKKCKBYBSWUBAI-KRWDZBQOSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@@H](CC2CC2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823640169 599053995 /nfs/dbraw/zinc/05/39/95/599053995.db2.gz WKKCKBYBSWUBAI-KRWDZBQOSA-N -1 3 350.382 3.728 20 5 FHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000820925808 599095962 /nfs/dbraw/zinc/09/59/62/599095962.db2.gz MYAOBCVNIBMWLX-AWEZNQCLSA-N -1 3 358.789 3.992 20 5 FHBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000820925808 599095964 /nfs/dbraw/zinc/09/59/64/599095964.db2.gz MYAOBCVNIBMWLX-AWEZNQCLSA-N -1 3 358.789 3.992 20 5 FHBDHM COc1ccc(C=Cc2ccc3c(cccc3[N+](=O)[O-])n2)cc1-c1nnn[n-]1 ZINC000737082753 599153089 /nfs/dbraw/zinc/15/30/89/599153089.db2.gz YXFXRZLTVXNTES-FNORWQNLSA-N -1 3 374.360 3.502 20 5 FHBDHM COc1ccc(C=Cc2ccc3c(cccc3[N+](=O)[O-])n2)cc1-c1nn[n-]n1 ZINC000737082753 599153092 /nfs/dbraw/zinc/15/30/92/599153092.db2.gz YXFXRZLTVXNTES-FNORWQNLSA-N -1 3 374.360 3.502 20 5 FHBDHM CC(C)Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820108564 599230663 /nfs/dbraw/zinc/23/06/63/599230663.db2.gz NGGQVLCNQUOCQR-GFCCVEGCSA-N -1 3 367.413 3.542 20 5 FHBDHM CC(C)Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820108564 599230665 /nfs/dbraw/zinc/23/06/65/599230665.db2.gz NGGQVLCNQUOCQR-GFCCVEGCSA-N -1 3 367.413 3.542 20 5 FHBDHM CCOc1ccccc1[C@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736652830 598246330 /nfs/dbraw/zinc/24/63/30/598246330.db2.gz CCPPEZMNCMAYDL-HNNXBMFYSA-N -1 3 368.397 3.737 20 5 FHBDHM CCOc1ccccc1[C@H](CC)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736652830 598246331 /nfs/dbraw/zinc/24/63/31/598246331.db2.gz CCPPEZMNCMAYDL-HNNXBMFYSA-N -1 3 368.397 3.737 20 5 FHBDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000737242723 598271131 /nfs/dbraw/zinc/27/11/31/598271131.db2.gz YERYBWUVSCCAKZ-NSHDSACASA-N -1 3 356.411 3.640 20 5 FHBDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000737242723 598271132 /nfs/dbraw/zinc/27/11/32/598271132.db2.gz YERYBWUVSCCAKZ-NSHDSACASA-N -1 3 356.411 3.640 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1ccccc1)C1CCC1 ZINC000738360299 598796723 /nfs/dbraw/zinc/79/67/23/598796723.db2.gz VGYNSYIGXUYPTB-KRWDZBQOSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccccc1)C1CCC1 ZINC000738360299 598796724 /nfs/dbraw/zinc/79/67/24/598796724.db2.gz VGYNSYIGXUYPTB-KRWDZBQOSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000738369541 598815832 /nfs/dbraw/zinc/81/58/32/598815832.db2.gz IERXMATXWHLQGS-UHFFFAOYSA-N -1 3 370.800 3.597 20 5 FHBDHM O=[N+]([O-])c1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000738369541 598815833 /nfs/dbraw/zinc/81/58/33/598815833.db2.gz IERXMATXWHLQGS-UHFFFAOYSA-N -1 3 370.800 3.597 20 5 FHBDHM COc1ccc([C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000821783132 599299893 /nfs/dbraw/zinc/29/98/93/599299893.db2.gz XKVMUIQBBGTQPI-KRWDZBQOSA-N -1 3 368.397 3.593 20 5 FHBDHM COc1ccc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000821783132 599299896 /nfs/dbraw/zinc/29/98/96/599299896.db2.gz XKVMUIQBBGTQPI-KRWDZBQOSA-N -1 3 368.397 3.593 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926632 606479278 /nfs/dbraw/zinc/47/92/78/606479278.db2.gz UIYHHOZRNRXTGP-OAHLLOKOSA-N -1 3 358.789 3.992 20 5 FHBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000820926632 606479280 /nfs/dbraw/zinc/47/92/80/606479280.db2.gz UIYHHOZRNRXTGP-OAHLLOKOSA-N -1 3 358.789 3.992 20 5 FHBDHM O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826500375 608869568 /nfs/dbraw/zinc/86/95/68/608869568.db2.gz WJBLIFYQEIUBSJ-UHFFFAOYSA-N -1 3 362.349 3.647 20 5 FHBDHM O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826500375 608869572 /nfs/dbraw/zinc/86/95/72/608869572.db2.gz WJBLIFYQEIUBSJ-UHFFFAOYSA-N -1 3 362.349 3.647 20 5 FHBDHM C[C@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757170 609329049 /nfs/dbraw/zinc/32/90/49/609329049.db2.gz TXXZXPZMZSDKOQ-LBPRGKRZSA-N -1 3 355.423 3.812 20 5 FHBDHM C[C@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757170 609329050 /nfs/dbraw/zinc/32/90/50/609329050.db2.gz TXXZXPZMZSDKOQ-LBPRGKRZSA-N -1 3 355.423 3.812 20 5 FHBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)sc1Cl ZINC000473853793 945068864 /nfs/dbraw/zinc/06/88/64/945068864.db2.gz IRZGGXTXSUODOY-UHFFFAOYSA-N -1 3 374.871 3.832 20 5 FHBDHM COc1cccc(-c2nc(C(=O)[N-]c3cc([N+](=O)[O-])c(C)cc3C)no2)c1 ZINC000471171038 928503018 /nfs/dbraw/zinc/50/30/18/928503018.db2.gz XTNGKEFKUHRUCO-UHFFFAOYSA-N -1 3 368.349 3.523 20 5 FHBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc2cccc(F)c2o1 ZINC000610337919 930025386 /nfs/dbraw/zinc/02/53/86/930025386.db2.gz CURUIMPWGPFMGO-UHFFFAOYSA-N -1 3 367.296 3.518 20 5 FHBDHM COc1cc(CNCc2cc(Cl)sc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000536413165 934972524 /nfs/dbraw/zinc/97/25/24/934972524.db2.gz QBECSPOUOQXMKM-UHFFFAOYSA-N -1 3 363.222 3.967 20 5 FHBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000588619835 939000215 /nfs/dbraw/zinc/00/02/15/939000215.db2.gz JMOJNMDSNHFVAI-SREVYHEPSA-N -1 3 356.762 3.800 20 5 FHBDHM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001705 940175717 /nfs/dbraw/zinc/17/57/17/940175717.db2.gz JUGJNSQZEWSUAQ-JTQLQIEISA-N -1 3 366.420 3.750 20 5 FHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(F)F)c1ccccc1 ZINC000420731008 942179282 /nfs/dbraw/zinc/17/92/82/942179282.db2.gz FDCSJMAZGOBELY-ZDUSSCGKSA-N -1 3 370.377 3.578 20 5 FHBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000014099917 942469655 /nfs/dbraw/zinc/46/96/55/942469655.db2.gz ANWOUBKGMYVQCY-INIZCTEOSA-N -1 3 368.842 3.924 20 5 FHBDHM O=C(Nc1ncccc1[O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000045560234 946071930 /nfs/dbraw/zinc/07/19/30/946071930.db2.gz SECIHLYAXVECMJ-UHFFFAOYSA-N -1 3 350.334 3.691 20 5 FHBDHM Cc1cc(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)ccc1F ZINC000444963239 947389876 /nfs/dbraw/zinc/38/98/76/947389876.db2.gz GDMLWICECYTNRV-UHFFFAOYSA-N -1 3 374.353 3.519 20 5 FHBDHM Cc1ccc(-c2cnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)c(C)c1 ZINC000445215457 947615442 /nfs/dbraw/zinc/61/54/42/947615442.db2.gz QPAZDFXSGHEDJW-UHFFFAOYSA-N -1 3 370.390 3.688 20 5 FHBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc([O-])c1F ZINC000129571260 948144785 /nfs/dbraw/zinc/14/47/85/948144785.db2.gz BQONEKHLVPZRHP-UHFFFAOYSA-N -1 3 354.721 3.501 20 5 FHBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000481983628 568215430 /nfs/dbraw/zinc/21/54/30/568215430.db2.gz RPODXMIIVPNKFE-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820925485 599095215 /nfs/dbraw/zinc/09/52/15/599095215.db2.gz IUTQLCJOPCCYGG-ZDUSSCGKSA-N -1 3 358.789 3.992 20 5 FHBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000820925485 599095218 /nfs/dbraw/zinc/09/52/18/599095218.db2.gz IUTQLCJOPCCYGG-ZDUSSCGKSA-N -1 3 358.789 3.992 20 5 FHBDHM CCOc1ccccc1[C@@H](CC)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736653720 598246431 /nfs/dbraw/zinc/24/64/31/598246431.db2.gz LNZMJNYJDOCKJW-CQSZACIVSA-N -1 3 368.397 3.737 20 5 FHBDHM CCOc1ccccc1[C@@H](CC)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736653720 598246433 /nfs/dbraw/zinc/24/64/33/598246433.db2.gz LNZMJNYJDOCKJW-CQSZACIVSA-N -1 3 368.397 3.737 20 5 FHBDHM C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820462510 599351848 /nfs/dbraw/zinc/35/18/48/599351848.db2.gz YAWVQJAEOQTGLU-SECBINFHSA-N -1 3 367.394 3.558 20 5 FHBDHM C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820462510 599351851 /nfs/dbraw/zinc/35/18/51/599351851.db2.gz YAWVQJAEOQTGLU-SECBINFHSA-N -1 3 367.394 3.558 20 5 FHBDHM CN(C)[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000737357748 600942143 /nfs/dbraw/zinc/94/21/43/600942143.db2.gz DDEZDJDZEXJPON-ZDUSSCGKSA-N -1 3 369.830 3.723 20 5 FHBDHM CC[C@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000828988763 601265905 /nfs/dbraw/zinc/26/59/05/601265905.db2.gz DAQYOWRMFKKADU-SFHVURJKSA-N -1 3 372.421 3.916 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccc(-c4nnn[n-]4)s3)nc2c1 ZINC000823644199 606339969 /nfs/dbraw/zinc/33/99/69/606339969.db2.gz GPMBZNJPHJGEEC-RMKNXTFCSA-N -1 3 374.769 3.715 20 5 FHBDHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609199175 929795746 /nfs/dbraw/zinc/79/57/46/929795746.db2.gz JHGYQJDIUMBVBD-CQSZACIVSA-N -1 3 366.826 3.522 20 5 FHBDHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000277172061 934731903 /nfs/dbraw/zinc/73/19/03/934731903.db2.gz DUBYKGATJPDFKN-CQSZACIVSA-N -1 3 363.439 3.697 20 5 FHBDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(F)c1F ZINC000536136023 938428624 /nfs/dbraw/zinc/42/86/24/938428624.db2.gz OQYXODSPHISDAV-UHFFFAOYSA-N -1 3 352.268 3.775 20 5 FHBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Nc2ccncc2)cc1 ZINC000092547443 938919638 /nfs/dbraw/zinc/91/96/38/938919638.db2.gz MQGJHVGHKXESTD-UHFFFAOYSA-N -1 3 350.334 3.691 20 5 FHBDHM COc1cc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c(Cl)c(OC)c1 ZINC000414486155 941353328 /nfs/dbraw/zinc/35/33/28/941353328.db2.gz MZIRVQZRCUARBD-UHFFFAOYSA-N -1 3 368.773 3.592 20 5 FHBDHM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414677201 941434388 /nfs/dbraw/zinc/43/43/88/941434388.db2.gz HVNXSRABXVXRFR-INIZCTEOSA-N -1 3 374.368 3.965 20 5 FHBDHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000183362081 942119497 /nfs/dbraw/zinc/11/94/97/942119497.db2.gz HFTWHQJCPKITQE-UHFFFAOYSA-N -1 3 356.668 3.507 20 5 FHBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420735890 942186834 /nfs/dbraw/zinc/18/68/34/942186834.db2.gz KNDDVBKOWAZKTO-CYBMUJFWSA-N -1 3 370.377 3.578 20 5 FHBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000541238113 942511551 /nfs/dbraw/zinc/51/15/51/942511551.db2.gz UZHQLNRJTIACBS-UHFFFAOYSA-N -1 3 364.361 3.560 20 5 FHBDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000514862490 943331867 /nfs/dbraw/zinc/33/18/67/943331867.db2.gz FKUAJXTZLLHEAT-UHFFFAOYSA-N -1 3 372.377 3.621 20 5 FHBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000506483301 944335358 /nfs/dbraw/zinc/33/53/58/944335358.db2.gz WAJRXEBFQCWRHD-UHFFFAOYSA-N -1 3 364.398 3.872 20 5 FHBDHM CCc1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c([O-])c1 ZINC000436867528 944734913 /nfs/dbraw/zinc/73/49/13/944734913.db2.gz CNULXCZMGQDXCJ-UHFFFAOYSA-N -1 3 364.361 3.985 20 5 FHBDHM Cc1ccc([O-])c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000436952769 944848724 /nfs/dbraw/zinc/84/87/24/944848724.db2.gz YGWJTQCRWPGUSG-UHFFFAOYSA-N -1 3 350.334 3.731 20 5 FHBDHM C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000820727426 945540711 /nfs/dbraw/zinc/54/07/11/945540711.db2.gz LYFDDGJSVRYHDA-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000820727426 945540714 /nfs/dbraw/zinc/54/07/14/945540714.db2.gz LYFDDGJSVRYHDA-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481949652 568195388 /nfs/dbraw/zinc/19/53/88/568195388.db2.gz BXCKTQFHYOCYBF-UHFFFAOYSA-N -1 3 370.814 3.674 20 5 FHBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cc1 ZINC000604021458 568199972 /nfs/dbraw/zinc/19/99/72/568199972.db2.gz VORDAPXNJGCGGJ-NSHDSACASA-N -1 3 354.815 3.596 20 5 FHBDHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000736192125 598314537 /nfs/dbraw/zinc/31/45/37/598314537.db2.gz KYHQLSMTVIHELR-SNVBAGLBSA-N -1 3 359.386 3.908 20 5 FHBDHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000736192125 598314539 /nfs/dbraw/zinc/31/45/39/598314539.db2.gz KYHQLSMTVIHELR-SNVBAGLBSA-N -1 3 359.386 3.908 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CCC2)c(-c2nnn[n-]2)c1 ZINC000738370378 598796989 /nfs/dbraw/zinc/79/69/89/598796989.db2.gz PGKOLLGCMVJJPX-QGZVFWFLSA-N -1 3 350.382 3.728 20 5 FHBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)C2CCC2)c(-c2nn[n-]n2)c1 ZINC000738370378 598796991 /nfs/dbraw/zinc/79/69/91/598796991.db2.gz PGKOLLGCMVJJPX-QGZVFWFLSA-N -1 3 350.382 3.728 20 5 FHBDHM C[C@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736194905 598813832 /nfs/dbraw/zinc/81/38/32/598813832.db2.gz DUMROMFKILDXIJ-LLVKDONJSA-N -1 3 364.365 3.719 20 5 FHBDHM C[C@H](c1cc2ccccc2o1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736194905 598813833 /nfs/dbraw/zinc/81/38/33/598813833.db2.gz DUMROMFKILDXIJ-LLVKDONJSA-N -1 3 364.365 3.719 20 5 FHBDHM O=[N+]([O-])c1cnc(Nc2ccc(Nc3ccccc3)cc2)c(-c2nnn[n-]2)c1 ZINC000823650776 599446309 /nfs/dbraw/zinc/44/63/09/599446309.db2.gz AOYUWLNAKTVXON-UHFFFAOYSA-N -1 3 374.364 3.657 20 5 FHBDHM O=[N+]([O-])c1cnc(Nc2ccc(Nc3ccccc3)cc2)c(-c2nn[n-]n2)c1 ZINC000823650776 599446310 /nfs/dbraw/zinc/44/63/10/599446310.db2.gz AOYUWLNAKTVXON-UHFFFAOYSA-N -1 3 374.364 3.657 20 5 FHBDHM Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)N2CCCC2)o1 ZINC000566291486 602315544 /nfs/dbraw/zinc/31/55/44/602315544.db2.gz KFPNRNOJQYRFBV-INIZCTEOSA-N -1 3 373.409 3.752 20 5 FHBDHM CN1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000833697934 604679394 /nfs/dbraw/zinc/67/93/94/604679394.db2.gz JXEHSQQOBLQAHA-UILBMPDPSA-N -1 3 367.405 3.550 20 5 FHBDHM Cc1ccc([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000830256911 604943102 /nfs/dbraw/zinc/94/31/02/604943102.db2.gz NPJMHTTZKPIQQA-AWEZNQCLSA-N -1 3 357.410 3.564 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000593747754 604944285 /nfs/dbraw/zinc/94/42/85/604944285.db2.gz BJACGJZPORHKPL-OAHLLOKOSA-N -1 3 364.442 3.705 20 5 FHBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593747875 604946289 /nfs/dbraw/zinc/94/62/89/604946289.db2.gz DXGODKKYXYCRPC-CQSZACIVSA-N -1 3 373.409 3.573 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccccc3-c3nnn[n-]3)nc2c1 ZINC000826499241 607885082 /nfs/dbraw/zinc/88/50/82/607885082.db2.gz AVAZWHNAHXVWOJ-KPKJPENVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3ccccc3-c3nn[n-]n3)nc2c1 ZINC000826499241 607885083 /nfs/dbraw/zinc/88/50/83/607885083.db2.gz AVAZWHNAHXVWOJ-KPKJPENVSA-N -1 3 368.740 3.653 20 5 FHBDHM O=[N+]([O-])c1c(Oc2cc(Cl)ccc2-c2nnn[n-]2)ccc2ncccc21 ZINC000826497434 608123978 /nfs/dbraw/zinc/12/39/78/608123978.db2.gz HFSUESWTNUHCML-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM O=[N+]([O-])c1c(Oc2cc(Cl)ccc2-c2nn[n-]n2)ccc2ncccc21 ZINC000826497434 608123979 /nfs/dbraw/zinc/12/39/79/608123979.db2.gz HFSUESWTNUHCML-UHFFFAOYSA-N -1 3 368.740 3.769 20 5 FHBDHM CCOc1cc(Oc2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000825615866 608172421 /nfs/dbraw/zinc/17/24/21/608172421.db2.gz NVEQKOCQEJTTFK-UHFFFAOYSA-N -1 3 361.745 3.619 20 5 FHBDHM CCOc1cc(Oc2ccc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000825615866 608172422 /nfs/dbraw/zinc/17/24/22/608172422.db2.gz NVEQKOCQEJTTFK-UHFFFAOYSA-N -1 3 361.745 3.619 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCSc2c(F)cccc21 ZINC000826497678 609601302 /nfs/dbraw/zinc/60/13/02/609601302.db2.gz PTEOLMADANYBFD-GFCCVEGCSA-N -1 3 372.385 3.563 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCSc2c(F)cccc21 ZINC000826497678 609601305 /nfs/dbraw/zinc/60/13/05/609601305.db2.gz PTEOLMADANYBFD-GFCCVEGCSA-N -1 3 372.385 3.563 20 5 FHBDHM O=C([N-]c1cc(Br)ccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001125277941 927337876 /nfs/dbraw/zinc/33/78/76/927337876.db2.gz SKJZZOSIMLCCSC-UHFFFAOYSA-N -1 3 357.110 3.888 20 5 FHBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000610389814 932009816 /nfs/dbraw/zinc/00/98/16/932009816.db2.gz YGWPCVCEIOJFDI-CQSZACIVSA-N -1 3 354.406 3.956 20 5 FHBDHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588481581 934657424 /nfs/dbraw/zinc/65/74/24/934657424.db2.gz SJIOUWHNOMQDCY-FPLPWBNLSA-N -1 3 352.799 3.969 20 5 FHBDHM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])ccc2C)c(F)c1F ZINC000536135832 938428839 /nfs/dbraw/zinc/42/88/39/938428839.db2.gz MSMZGSAQKNTQOC-UHFFFAOYSA-N -1 3 352.268 3.775 20 5 FHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(O)c2ccccc2c1 ZINC000438922259 945226015 /nfs/dbraw/zinc/22/60/15/945226015.db2.gz YUPZIKKVTYEFCY-UHFFFAOYSA-N -1 3 374.356 3.518 20 5 FHBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)c1cc([O-])c2ccccc2c1 ZINC000438922259 945226022 /nfs/dbraw/zinc/22/60/22/945226022.db2.gz YUPZIKKVTYEFCY-UHFFFAOYSA-N -1 3 374.356 3.518 20 5 FHBDHM CC(C)[C@H]1C[C@](NCc2cccc([N+](=O)[O-])c2)(C(=O)[O-])c2ccccc21 ZINC000582621657 940760395 /nfs/dbraw/zinc/76/03/95/940760395.db2.gz OBMGICPJRQPHAP-YLJYHZDGSA-N -1 3 354.406 3.808 20 5 FHBDHM CN(c1ccccc1)c1ccc(CN2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000414682995 941435954 /nfs/dbraw/zinc/43/59/54/941435954.db2.gz OMPQUWRBKODSMN-GOSISDBHSA-N -1 3 369.421 3.802 20 5 FHBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1C ZINC000015246058 942076050 /nfs/dbraw/zinc/07/60/50/942076050.db2.gz ULQIXHUBKJUQPP-UHFFFAOYSA-N -1 3 358.778 3.805 20 5 FHBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420735892 942186395 /nfs/dbraw/zinc/18/63/95/942186395.db2.gz KNDDVBKOWAZKTO-ZDUSSCGKSA-N -1 3 370.377 3.578 20 5 FHBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000014099714 942469826 /nfs/dbraw/zinc/46/98/26/942469826.db2.gz AGNSSNLZAHGMFZ-CYBMUJFWSA-N -1 3 354.815 3.678 20 5 FHBDHM CCCCc1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000514160482 942782075 /nfs/dbraw/zinc/78/20/75/942782075.db2.gz PGBAHIWNLDPKNU-UHFFFAOYSA-N -1 3 372.353 3.643 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000515736511 944173080 /nfs/dbraw/zinc/17/30/80/944173080.db2.gz LRLSTCXWQCNUCP-AWEZNQCLSA-N -1 3 372.805 3.817 20 5 FHBDHM Cc1c([N-]S(=O)(=O)CCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000506597035 944708286 /nfs/dbraw/zinc/70/82/86/944708286.db2.gz WXAYXRQSNZTXRA-UHFFFAOYSA-N -1 3 354.815 3.541 20 5 FHBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc2ccccc2c2cccnc12 ZINC000473854205 945047908 /nfs/dbraw/zinc/04/79/08/945047908.db2.gz XYUAZEMTCQCNLR-SFHVURJKSA-N -1 3 358.401 3.637 20 5 FHBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000064374579 221146645 /nfs/dbraw/zinc/14/66/45/221146645.db2.gz AXGIYPRZTKZMEY-UHFFFAOYSA-N -1 3 370.814 3.674 20 5 FHBDHM CCOc1cc([N-]C(=O)c2cnc(CC)s2)c([N+](=O)[O-])cc1OCC ZINC000065051949 221166231 /nfs/dbraw/zinc/16/62/31/221166231.db2.gz PJGBFIATGIOVSP-UHFFFAOYSA-N -1 3 365.411 3.663 20 5 FHBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccoc1C(F)(F)F ZINC000291257719 568092858 /nfs/dbraw/zinc/09/28/58/568092858.db2.gz WQIOFAWERVNHBD-UHFFFAOYSA-N -1 3 372.255 3.620 20 5 FHBDHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000482104543 568274851 /nfs/dbraw/zinc/27/48/51/568274851.db2.gz OOIRPOXPVQGVAE-HNNXBMFYSA-N -1 3 354.453 3.640 20 5 FHBDHM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000570098369 568450814 /nfs/dbraw/zinc/45/08/14/568450814.db2.gz QJHFXFKUCFWBBR-UHFFFAOYSA-N -1 3 351.334 3.598 20 5 FHBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nnn[n-]3)cc2F)ccc2ncccc21 ZINC000823630102 599059235 /nfs/dbraw/zinc/05/92/35/599059235.db2.gz ROXSKVYNLJRUSC-UHFFFAOYSA-N -1 3 368.353 3.613 20 5 FHBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nn[n-]n3)cc2F)ccc2ncccc21 ZINC000823630102 599059237 /nfs/dbraw/zinc/05/92/37/599059237.db2.gz ROXSKVYNLJRUSC-UHFFFAOYSA-N -1 3 368.353 3.613 20 5 FHBDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820668313 599059812 /nfs/dbraw/zinc/05/98/12/599059812.db2.gz RNDDRPHLWKVWNV-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820668313 599059815 /nfs/dbraw/zinc/05/98/15/599059815.db2.gz RNDDRPHLWKVWNV-PIGZYNQJSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820668311 599060235 /nfs/dbraw/zinc/06/02/35/599060235.db2.gz RNDDRPHLWKVWNV-DIFFPNOSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820668311 599060237 /nfs/dbraw/zinc/06/02/37/599060237.db2.gz RNDDRPHLWKVWNV-DIFFPNOSSA-N -1 3 368.372 3.502 20 5 FHBDHM COc1ccccc1[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821883375 599068835 /nfs/dbraw/zinc/06/88/35/599068835.db2.gz UQSLMNZKXHOJBD-JTQLQIEISA-N -1 3 357.395 3.637 20 5 FHBDHM COc1ccccc1[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821883375 599068838 /nfs/dbraw/zinc/06/88/38/599068838.db2.gz UQSLMNZKXHOJBD-JTQLQIEISA-N -1 3 357.395 3.637 20 5 FHBDHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820667144 599077143 /nfs/dbraw/zinc/07/71/43/599077143.db2.gz LGBLCYJNCMBEDS-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@@H](c2ccccc2F)N(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820667144 599077146 /nfs/dbraw/zinc/07/71/46/599077146.db2.gz LGBLCYJNCMBEDS-GTNSWQLSSA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820667099 599077224 /nfs/dbraw/zinc/07/72/24/599077224.db2.gz LBHLZFHTEKSKLW-MEDUHNTESA-N -1 3 368.372 3.502 20 5 FHBDHM C[C@H]1C[C@H](c2ccccc2F)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820667099 599077225 /nfs/dbraw/zinc/07/72/25/599077225.db2.gz LBHLZFHTEKSKLW-MEDUHNTESA-N -1 3 368.372 3.502 20 5 FHBDHM O=[N+]([O-])c1ccc(Nc2cccc(CC(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823645978 599086129 /nfs/dbraw/zinc/08/61/29/599086129.db2.gz YWQOVRZUFXYCRK-UHFFFAOYSA-N -1 3 364.287 3.623 20 5 FHBDHM O=[N+]([O-])c1ccc(Nc2cccc(CC(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823645978 599086132 /nfs/dbraw/zinc/08/61/32/599086132.db2.gz YWQOVRZUFXYCRK-UHFFFAOYSA-N -1 3 364.287 3.623 20 5 FHBDHM O=[N+]([O-])c1ccc(Nc2cccc(NC3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738366664 599351549 /nfs/dbraw/zinc/35/15/49/599351549.db2.gz GYCXPSIQYNSXDC-UHFFFAOYSA-N -1 3 365.397 3.873 20 5 FHBDHM O=[N+]([O-])c1ccc(Nc2cccc(NC3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738366664 599351552 /nfs/dbraw/zinc/35/15/52/599351552.db2.gz GYCXPSIQYNSXDC-UHFFFAOYSA-N -1 3 365.397 3.873 20 5 FHBDHM O=C([O-])c1oc2ccccc2c1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738712206 600248007 /nfs/dbraw/zinc/24/80/07/600248007.db2.gz ALKKCCXHIFQIJX-UHFFFAOYSA-N -1 3 363.329 3.951 20 5 FHBDHM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826498435 607645189 /nfs/dbraw/zinc/64/51/89/607645189.db2.gz UTLWUXDIOFPMJX-UHFFFAOYSA-N -1 3 350.363 3.565 20 5 FHBDHM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826498435 607645191 /nfs/dbraw/zinc/64/51/91/607645191.db2.gz UTLWUXDIOFPMJX-UHFFFAOYSA-N -1 3 350.363 3.565 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823640061 606595800 /nfs/dbraw/zinc/59/58/00/606595800.db2.gz QSFWOTYPYDXZNW-VHSXEESVSA-N -1 3 370.335 3.556 20 5 FHBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823640061 606595801 /nfs/dbraw/zinc/59/58/01/606595801.db2.gz QSFWOTYPYDXZNW-VHSXEESVSA-N -1 3 370.335 3.556 20 5 FHBDHM COc1cc(CN[C@@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])cc1[O-] ZINC000583232862 937262652 /nfs/dbraw/zinc/26/26/52/937262652.db2.gz HCKJIQUSHILJFI-SNVBAGLBSA-N -1 3 354.815 3.801 20 5 FHBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000610420701 930494850 /nfs/dbraw/zinc/49/48/50/930494850.db2.gz LVVHMTAKADKKJS-UHFFFAOYSA-N -1 3 356.313 3.653 20 5 FHBDHM CC[C@H](C)n1ncc([N-]c2ncc(Br)cc2[N+](=O)[O-])c1C ZINC000477690978 933169634 /nfs/dbraw/zinc/16/96/34/933169634.db2.gz GMBPLSXSJVPTIZ-QMMMGPOBSA-N -1 3 354.208 3.972 20 5 FHBDHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000177521569 941132294 /nfs/dbraw/zinc/13/22/94/941132294.db2.gz AFAPLKROTNKEPD-UHFFFAOYSA-N -1 3 352.393 3.634 20 5 FHBDHM O=C([N-]c1cc(F)cc(F)c1Br)c1ccc([N+](=O)[O-])s1 ZINC000189054419 941146034 /nfs/dbraw/zinc/14/60/34/941146034.db2.gz MJWUQIZJSWQFRZ-UHFFFAOYSA-N -1 3 363.139 3.949 20 5 FHBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182595837 941946380 /nfs/dbraw/zinc/94/63/80/941946380.db2.gz DLNOFRBZGPEWNR-UHFFFAOYSA-N -1 3 358.684 3.808 20 5 FHBDHM COc1cccc(-c2nsc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])n2)c1 ZINC000102911048 942145512 /nfs/dbraw/zinc/14/55/12/942145512.db2.gz TZWAMAZPFRCUPI-UHFFFAOYSA-N -1 3 370.390 3.683 20 5 FHBDHM O=c1cc(CSCc2c(F)cc([N+](=O)[O-])cc2F)nc(C2CC2)[n-]1 ZINC000419581869 942314321 /nfs/dbraw/zinc/31/43/21/942314321.db2.gz DYPPMQYONOSFEN-UHFFFAOYSA-N -1 3 353.350 3.679 20 5 FHBDHM O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 ZINC000015662006 942317451 /nfs/dbraw/zinc/31/74/51/942317451.db2.gz CCWGXBVWOUSQPZ-BOPFTXTBSA-N -1 3 360.325 3.665 20 5 FHBDHM Cc1cc(NCc2ccc([O-])c(F)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000078020023 942940815 /nfs/dbraw/zinc/94/08/15/942940815.db2.gz GBVVKCUKAJJYDO-UHFFFAOYSA-N -1 3 354.341 3.817 20 5 FHBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424256623 943807914 /nfs/dbraw/zinc/80/79/14/943807914.db2.gz JIQPLIKEWKIEIW-HNNXBMFYSA-N -1 3 350.415 3.601 20 5 FHBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000506239378 944630731 /nfs/dbraw/zinc/63/07/31/944630731.db2.gz DUNJQQRUZUBKFB-UHFFFAOYSA-N -1 3 368.842 3.504 20 5 FHBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])s2)cc1 ZINC000108248539 945897726 /nfs/dbraw/zinc/89/77/26/945897726.db2.gz PBQURLQDZJGKHD-UHFFFAOYSA-N -1 3 368.418 3.906 20 5 FHBDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000440145074 946462659 /nfs/dbraw/zinc/46/26/59/946462659.db2.gz KUCJDBBWUGSHIR-KBPBESRZSA-N -1 3 368.418 3.519 20 5 FHBDHM CCOc1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)c1F ZINC000536279503 946886345 /nfs/dbraw/zinc/88/63/45/946886345.db2.gz FYLLJZRWIVVICI-UHFFFAOYSA-N -1 3 352.293 3.533 20 5 FHBDHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511923602 947007583 /nfs/dbraw/zinc/00/75/83/947007583.db2.gz QQKGOLISHULGAV-CQSZACIVSA-N -1 3 366.826 3.522 20 5 FHBDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000523415372 947223596 /nfs/dbraw/zinc/22/35/96/947223596.db2.gz WPUDNRRHQBCQGD-SECBINFHSA-N -1 3 374.871 3.528 20 5 FHBDHM Cc1cccc2cc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)oc21 ZINC000523550754 947364912 /nfs/dbraw/zinc/36/49/12/947364912.db2.gz XGBCUULEVHVKCJ-UHFFFAOYSA-N -1 3 362.345 3.714 20 5 FHBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000512153077 948564684 /nfs/dbraw/zinc/56/46/84/948564684.db2.gz HCZOEPOPAUBQQM-VIFPVBQESA-N -1 3 360.844 3.739 20 5 FHBDHM Cc1ccc([O-])c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000050177294 221030633 /nfs/dbraw/zinc/03/06/33/221030633.db2.gz CBXDTUUYCGCKCF-UHFFFAOYSA-N -1 3 370.283 3.802 20 5 FHBDHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000568361949 568033495 /nfs/dbraw/zinc/03/34/95/568033495.db2.gz RTECRMVWRHQKQO-VIFPVBQESA-N -1 3 365.183 3.805 20 5 FHBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000604040079 568202831 /nfs/dbraw/zinc/20/28/31/568202831.db2.gz FPDAYJGFNZOIHU-LLVKDONJSA-N -1 3 354.815 3.596 20 5 FHBDHM CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC)s1 ZINC000481994548 568221549 /nfs/dbraw/zinc/22/15/49/568221549.db2.gz WKMAYGMDUQEMII-UHFFFAOYSA-N -1 3 370.481 3.923 20 5 FHBDHM COc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000436659308 568253601 /nfs/dbraw/zinc/25/36/01/568253601.db2.gz ZSNJWMUNEAJCHG-UHFFFAOYSA-N -1 3 353.256 3.871 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC000823643878 606340183 /nfs/dbraw/zinc/34/01/83/606340183.db2.gz DQSISXJJHWPYRJ-BJMVGYQFSA-N -1 3 374.769 3.715 20 5 FHBDHM O=[N+]([O-])c1ccc2oc(C(Cl)=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC000823643878 606340184 /nfs/dbraw/zinc/34/01/84/606340184.db2.gz DQSISXJJHWPYRJ-BJMVGYQFSA-N -1 3 374.769 3.715 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823629700 606476235 /nfs/dbraw/zinc/47/62/35/606476235.db2.gz FHQHRPBMLJRZAD-HNNXBMFYSA-N -1 3 368.372 3.646 20 5 FHBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCC[C@H]1c1ccc(F)cc1 ZINC000823629700 606476237 /nfs/dbraw/zinc/47/62/37/606476237.db2.gz FHQHRPBMLJRZAD-HNNXBMFYSA-N -1 3 368.372 3.646 20 5 FHBDHM