smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110715627 945065805 /nfs/dbraw/zinc/06/58/05/945065805.db2.gz KRLNPCYKTICOMV-GDBMZVCRSA-N 1 2 356.426 3.869 20 5 FHBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154148977 928253629 /nfs/dbraw/zinc/25/36/29/928253629.db2.gz OCAIHEITCYXCCY-HSZRJFAPSA-N 1 2 352.843 3.618 20 5 FHBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154148977 928253648 /nfs/dbraw/zinc/25/36/48/928253648.db2.gz OCAIHEITCYXCCY-HSZRJFAPSA-N 1 2 352.843 3.618 20 5 FHBDLO Cc1ccc(C[S@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)[nH+]1 ZINC000187175379 928920036 /nfs/dbraw/zinc/92/00/36/928920036.db2.gz XPCRSVGZDQXEGQ-SANMLTNESA-N 1 2 371.418 3.711 20 5 FHBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000610294877 929698757 /nfs/dbraw/zinc/69/87/57/929698757.db2.gz GWOHLVNYUVSMCX-UHFFFAOYSA-N 1 2 350.256 3.514 20 5 FHBDLO CC[N@H+](C)[C@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)c1ccccc1 ZINC000580481495 930730352 /nfs/dbraw/zinc/73/03/52/930730352.db2.gz AZKXZEVHIVATSX-IBGZPJMESA-N 1 2 366.421 3.918 20 5 FHBDLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)c1ccccc1 ZINC000580481495 930730356 /nfs/dbraw/zinc/73/03/56/930730356.db2.gz AZKXZEVHIVATSX-IBGZPJMESA-N 1 2 366.421 3.918 20 5 FHBDLO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000023815297 931419781 /nfs/dbraw/zinc/41/97/81/931419781.db2.gz NRMZVQXPBUBJSZ-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000023815297 931419783 /nfs/dbraw/zinc/41/97/83/931419783.db2.gz NRMZVQXPBUBJSZ-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000510435943 932315736 /nfs/dbraw/zinc/31/57/36/932315736.db2.gz NMZRKKGXFJHOLA-GOSISDBHSA-N 1 2 352.394 3.817 20 5 FHBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000510435943 932315741 /nfs/dbraw/zinc/31/57/41/932315741.db2.gz NMZRKKGXFJHOLA-GOSISDBHSA-N 1 2 352.394 3.817 20 5 FHBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCCNc1cccc[nH+]1 ZINC000276594661 932764256 /nfs/dbraw/zinc/76/42/56/932764256.db2.gz NNKCBHDEABCUFP-UHFFFAOYSA-N 1 2 362.817 3.574 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(CC1CC1)c1ccccc1 ZINC000084235092 934492115 /nfs/dbraw/zinc/49/21/15/934492115.db2.gz LOSPOHLGBJPURE-UHFFFAOYSA-N 1 2 362.389 3.837 20 5 FHBDLO COc1c(O)ccc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000891991445 934812860 /nfs/dbraw/zinc/81/28/60/934812860.db2.gz BZENVHHJVXBLEZ-JTQLQIEISA-N 1 2 351.428 3.575 20 5 FHBDLO COc1c(O)ccc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000891991445 934812864 /nfs/dbraw/zinc/81/28/64/934812864.db2.gz BZENVHHJVXBLEZ-JTQLQIEISA-N 1 2 351.428 3.575 20 5 FHBDLO Cc1ccc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000478911123 935753841 /nfs/dbraw/zinc/75/38/41/935753841.db2.gz LWLAYOPLZDZXPO-UHFFFAOYSA-N 1 2 373.434 3.838 20 5 FHBDLO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536192707 938541919 /nfs/dbraw/zinc/54/19/19/938541919.db2.gz PHQDHFJBCRLDAR-UHFFFAOYSA-N 1 2 357.410 3.785 20 5 FHBDLO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536192707 938541921 /nfs/dbraw/zinc/54/19/21/938541921.db2.gz PHQDHFJBCRLDAR-UHFFFAOYSA-N 1 2 357.410 3.785 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179884266 940083097 /nfs/dbraw/zinc/08/30/97/940083097.db2.gz LHMDFGJCVFDGEO-UHFFFAOYSA-N 1 2 370.352 3.781 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179884266 940083099 /nfs/dbraw/zinc/08/30/99/940083099.db2.gz LHMDFGJCVFDGEO-UHFFFAOYSA-N 1 2 370.352 3.781 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)nc2c1 ZINC000411988615 940173237 /nfs/dbraw/zinc/17/32/37/940173237.db2.gz SDVREBGZSDUHMT-INIZCTEOSA-N 1 2 352.394 3.515 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)nc2c1 ZINC000411988615 940173240 /nfs/dbraw/zinc/17/32/40/940173240.db2.gz SDVREBGZSDUHMT-INIZCTEOSA-N 1 2 352.394 3.515 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000179965914 940175332 /nfs/dbraw/zinc/17/53/32/940175332.db2.gz GAKYDWLOHZOVTF-UHFFFAOYSA-N 1 2 354.275 3.971 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](c4[nH]cc[nH+]4)C3)cs2)c1 ZINC000092071447 940311255 /nfs/dbraw/zinc/31/12/55/940311255.db2.gz KVHXUEOIYNNPFI-AWEZNQCLSA-N 1 2 369.450 3.821 20 5 FHBDLO CC(=O)c1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000580594733 940480179 /nfs/dbraw/zinc/48/01/79/940480179.db2.gz WNQJLXYLWKREIV-UHFFFAOYSA-N 1 2 373.840 3.921 20 5 FHBDLO CC(=O)c1cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)ccc1[N+](=O)[O-] ZINC000580594733 940480181 /nfs/dbraw/zinc/48/01/81/940480181.db2.gz WNQJLXYLWKREIV-UHFFFAOYSA-N 1 2 373.840 3.921 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4ccc(F)cc4)CC3)nc2c1 ZINC000177079953 941098654 /nfs/dbraw/zinc/09/86/54/941098654.db2.gz HDNQXWJAAIOMNN-UHFFFAOYSA-N 1 2 371.368 3.919 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000119899831 941906057 /nfs/dbraw/zinc/90/60/57/941906057.db2.gz BLRUPKQRYHGRLR-UHFFFAOYSA-N 1 2 365.393 3.719 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946988 942270152 /nfs/dbraw/zinc/27/01/52/942270152.db2.gz MJNCGNLVZWCUJJ-GFCCVEGCSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420946988 942270154 /nfs/dbraw/zinc/27/01/54/942270154.db2.gz MJNCGNLVZWCUJJ-GFCCVEGCSA-N 1 2 359.348 3.506 20 5 FHBDLO O=[N+]([O-])c1cccc(Cl)c1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421212618 942413150 /nfs/dbraw/zinc/41/31/50/942413150.db2.gz KQOJXHBUCNIABY-UHFFFAOYSA-N 1 2 362.813 3.659 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000366524164 942517805 /nfs/dbraw/zinc/51/78/05/942517805.db2.gz VLWSBNQFIUNHGB-UHFFFAOYSA-N 1 2 352.350 3.554 20 5 FHBDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514116508 942756131 /nfs/dbraw/zinc/75/61/31/942756131.db2.gz IIBMFQRULATAHU-HNNXBMFYSA-N 1 2 371.437 3.761 20 5 FHBDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514116508 942756134 /nfs/dbraw/zinc/75/61/34/942756134.db2.gz IIBMFQRULATAHU-HNNXBMFYSA-N 1 2 371.437 3.761 20 5 FHBDLO COc1cc2c(c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)c1)O[C@@H](C)C2 ZINC000183809533 943221821 /nfs/dbraw/zinc/22/18/21/943221821.db2.gz UISBITDCAXWKHU-NSHDSACASA-N 1 2 362.813 3.870 20 5 FHBDLO CC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420260 943867599 /nfs/dbraw/zinc/86/75/99/943867599.db2.gz KVQDUEMNXYQMSY-UHFFFAOYSA-N 1 2 350.216 3.774 20 5 FHBDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420260 943867604 /nfs/dbraw/zinc/86/76/04/943867604.db2.gz KVQDUEMNXYQMSY-UHFFFAOYSA-N 1 2 350.216 3.774 20 5 FHBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000506926988 944764696 /nfs/dbraw/zinc/76/46/96/944764696.db2.gz LIGWXKOACWOGPZ-FNORWQNLSA-N 1 2 359.813 3.832 20 5 FHBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000506926988 944764698 /nfs/dbraw/zinc/76/46/98/944764698.db2.gz LIGWXKOACWOGPZ-FNORWQNLSA-N 1 2 359.813 3.832 20 5 FHBDLO C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000519517560 945522789 /nfs/dbraw/zinc/52/27/89/945522789.db2.gz LAMMUIKPJLYHPU-CYBMUJFWSA-N 1 2 374.466 3.779 20 5 FHBDLO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000549536243 945847831 /nfs/dbraw/zinc/84/78/31/945847831.db2.gz QSMCWTPSTYEBKH-CYBMUJFWSA-N 1 2 360.410 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000108095571 945857648 /nfs/dbraw/zinc/85/76/48/945857648.db2.gz DDOYHCXVEDVVHX-UHFFFAOYSA-N 1 2 357.370 3.500 20 5 FHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000550105295 945875587 /nfs/dbraw/zinc/87/55/87/945875587.db2.gz WGTZNDJWFHAHEH-UHFFFAOYSA-N 1 2 371.368 3.960 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000323781610 946257179 /nfs/dbraw/zinc/25/71/79/946257179.db2.gz DLJMMEWPJZTBEP-ZDUSSCGKSA-N 1 2 352.740 3.528 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000323781610 946257183 /nfs/dbraw/zinc/25/71/83/946257183.db2.gz DLJMMEWPJZTBEP-ZDUSSCGKSA-N 1 2 352.740 3.528 20 5 FHBDLO CC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000550386946 946909229 /nfs/dbraw/zinc/90/92/29/946909229.db2.gz HBGLFRXEQVZDPH-UHFFFAOYSA-N 1 2 354.341 3.734 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(Nc4ccc(F)cc4)CC3)nc2c1 ZINC000444665536 947092461 /nfs/dbraw/zinc/09/24/61/947092461.db2.gz PCWWZEICGXWPGP-UHFFFAOYSA-N 1 2 369.400 3.687 20 5 FHBDLO Cc1cc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1F ZINC000444730316 947145165 /nfs/dbraw/zinc/14/51/65/947145165.db2.gz FKFCDNCWAWXXQW-UHFFFAOYSA-N 1 2 356.357 3.724 20 5 FHBDLO Cc1cc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1F ZINC000444730316 947145171 /nfs/dbraw/zinc/14/51/71/947145171.db2.gz FKFCDNCWAWXXQW-UHFFFAOYSA-N 1 2 356.357 3.724 20 5 FHBDLO CC1(C)C[C@H]([NH2+]Cc2ncnn2-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000279146005 948555714 /nfs/dbraw/zinc/55/57/14/948555714.db2.gz SGCZIIXSSOREAB-SFHVURJKSA-N 1 2 363.421 3.688 20 5 FHBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000057744896 205244307 /nfs/dbraw/zinc/24/43/07/205244307.db2.gz INDAPDNUMISCKC-UHFFFAOYSA-N 1 2 354.341 3.586 20 5 FHBDLO CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109515779 206059653 /nfs/dbraw/zinc/05/96/53/206059653.db2.gz MOQQYNOYJLZIAK-HNNXBMFYSA-N 1 2 356.426 3.821 20 5 FHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000568066448 567832343 /nfs/dbraw/zinc/83/23/43/567832343.db2.gz ALLRWSISYRCNOB-CYBMUJFWSA-N 1 2 359.451 3.742 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CCC2)c2ccccc21 ZINC000481411138 567905436 /nfs/dbraw/zinc/90/54/36/567905436.db2.gz DCNHPWMACIEOIJ-UHFFFAOYSA-N 1 2 374.400 3.863 20 5 FHBDLO COCc1nc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cs1 ZINC000602668275 568014297 /nfs/dbraw/zinc/01/42/97/568014297.db2.gz SZEXNWFCTQSAHM-UHFFFAOYSA-N 1 2 361.345 3.506 20 5 FHBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000291607947 568226496 /nfs/dbraw/zinc/22/64/96/568226496.db2.gz XVPOGCANTSQIGS-UHFFFAOYSA-N 1 2 369.208 3.645 20 5 FHBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291665737 568252472 /nfs/dbraw/zinc/25/24/72/568252472.db2.gz VUVUJCNDPQYWBE-UHFFFAOYSA-N 1 2 358.229 3.538 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000541934773 568258325 /nfs/dbraw/zinc/25/83/25/568258325.db2.gz UQHKRCAJALHUJY-UHFFFAOYSA-N 1 2 360.845 3.582 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000058747956 568406759 /nfs/dbraw/zinc/40/67/59/568406759.db2.gz CXSGMPTUVOICQZ-UHFFFAOYSA-N 1 2 361.829 3.579 20 5 FHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(F)cc1 ZINC000006976624 568408259 /nfs/dbraw/zinc/40/82/59/568408259.db2.gz FWAVKSMOOMEPHY-GFCCVEGCSA-N 1 2 356.357 3.977 20 5 FHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000006976624 568408260 /nfs/dbraw/zinc/40/82/60/568408260.db2.gz FWAVKSMOOMEPHY-GFCCVEGCSA-N 1 2 356.357 3.977 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000178730496 936327277 /nfs/dbraw/zinc/32/72/77/936327277.db2.gz DNOCLZMDUDLSND-NSHDSACASA-N 1 2 364.373 3.611 20 5 FHBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000430198487 927897233 /nfs/dbraw/zinc/89/72/33/927897233.db2.gz YRQIUMQTGJBOTG-HNNXBMFYSA-N 1 2 371.437 3.843 20 5 FHBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000430198487 927897255 /nfs/dbraw/zinc/89/72/55/927897255.db2.gz YRQIUMQTGJBOTG-HNNXBMFYSA-N 1 2 371.437 3.843 20 5 FHBDLO Cc1cc(F)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000175735288 927975462 /nfs/dbraw/zinc/97/54/62/927975462.db2.gz ZWLHTSWAHVFZBA-UHFFFAOYSA-N 1 2 358.304 3.619 20 5 FHBDLO COc1ccccc1C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000052183166 937236656 /nfs/dbraw/zinc/23/66/56/937236656.db2.gz QPRUHKPNEXEYCY-UHFFFAOYSA-N 1 2 370.405 3.635 20 5 FHBDLO COc1ccccc1C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000052183166 937236658 /nfs/dbraw/zinc/23/66/58/937236658.db2.gz QPRUHKPNEXEYCY-UHFFFAOYSA-N 1 2 370.405 3.635 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC(C2CCCC2)CC1 ZINC000610298123 929721732 /nfs/dbraw/zinc/72/17/32/929721732.db2.gz GGTOVMCYLBXMMO-UHFFFAOYSA-N 1 2 368.437 3.823 20 5 FHBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000187317340 929908254 /nfs/dbraw/zinc/90/82/54/929908254.db2.gz MNTGQXAWUNJDAN-VIFPVBQESA-N 1 2 354.179 3.742 20 5 FHBDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000610341159 930036570 /nfs/dbraw/zinc/03/65/70/930036570.db2.gz HYJGCOATBUIORR-GOSISDBHSA-N 1 2 359.401 3.528 20 5 FHBDLO CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000176699092 937379708 /nfs/dbraw/zinc/37/97/08/937379708.db2.gz ATZZKTPIOCEPCI-HUUCEWRRSA-N 1 2 374.466 3.575 20 5 FHBDLO O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610434275 930531936 /nfs/dbraw/zinc/53/19/36/930531936.db2.gz SQMBMOFVQQGHEH-BFYDXBDKSA-N 1 2 368.437 3.869 20 5 FHBDLO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)c1 ZINC000064952582 931197176 /nfs/dbraw/zinc/19/71/76/931197176.db2.gz WXAZLFAGUYMUFP-UHFFFAOYSA-N 1 2 373.478 3.540 20 5 FHBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c(OC(F)F)c3)[nH+]c12 ZINC000610468880 931378088 /nfs/dbraw/zinc/37/80/88/931378088.db2.gz QRPTTZKSXFIYPR-UHFFFAOYSA-N 1 2 362.336 3.807 20 5 FHBDLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000581149348 931620086 /nfs/dbraw/zinc/62/00/86/931620086.db2.gz DONJOZQWNWORBI-UHFFFAOYSA-N 1 2 364.405 3.505 20 5 FHBDLO Cc1cc(C)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000097039903 932279404 /nfs/dbraw/zinc/27/94/04/932279404.db2.gz ABXKRGIXHGMWLM-UHFFFAOYSA-N 1 2 354.410 3.768 20 5 FHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424981 933621329 /nfs/dbraw/zinc/62/13/29/933621329.db2.gz HAJCPPQVDRZEBC-GRYCIOLGSA-N 1 2 360.439 3.528 20 5 FHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424981 933621334 /nfs/dbraw/zinc/62/13/34/933621334.db2.gz HAJCPPQVDRZEBC-GRYCIOLGSA-N 1 2 360.439 3.528 20 5 FHBDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccc([N+](=O)[O-])cc1 ZINC000065227965 934750608 /nfs/dbraw/zinc/75/06/08/934750608.db2.gz FFDBEWQPQBMENP-UHFFFAOYSA-N 1 2 351.362 3.932 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000538957805 934967362 /nfs/dbraw/zinc/96/73/62/934967362.db2.gz KWBWPDNLYXNGBQ-LBPRGKRZSA-N 1 2 373.356 3.723 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000538957805 934967368 /nfs/dbraw/zinc/96/73/68/934967368.db2.gz KWBWPDNLYXNGBQ-LBPRGKRZSA-N 1 2 373.356 3.723 20 5 FHBDLO Cc1cccc2c1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000277404120 935106594 /nfs/dbraw/zinc/10/65/94/935106594.db2.gz ZREQHTJJISZZKP-UHFFFAOYSA-N 1 2 350.378 3.512 20 5 FHBDLO Cc1cccc2c1C[N@@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000277404120 935106596 /nfs/dbraw/zinc/10/65/96/935106596.db2.gz ZREQHTJJISZZKP-UHFFFAOYSA-N 1 2 350.378 3.512 20 5 FHBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000277439383 935175435 /nfs/dbraw/zinc/17/54/35/935175435.db2.gz JEJLOLYFMRRDDY-RZFZLAGVSA-N 1 2 364.492 3.666 20 5 FHBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000277439383 935175444 /nfs/dbraw/zinc/17/54/44/935175444.db2.gz JEJLOLYFMRRDDY-RZFZLAGVSA-N 1 2 364.492 3.666 20 5 FHBDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051472996 935337774 /nfs/dbraw/zinc/33/77/74/935337774.db2.gz ZSHLKRGIBNEIHA-UHFFFAOYSA-N 1 2 359.451 3.696 20 5 FHBDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000051472996 935337779 /nfs/dbraw/zinc/33/77/79/935337779.db2.gz ZSHLKRGIBNEIHA-UHFFFAOYSA-N 1 2 359.451 3.696 20 5 FHBDLO Cc1c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)nnn1-c1ccc(C)cc1 ZINC000478510863 935639025 /nfs/dbraw/zinc/63/90/25/935639025.db2.gz ZSVVSDSQBYBWEK-OAHLLOKOSA-N 1 2 365.437 3.952 20 5 FHBDLO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C1 ZINC000507298553 945116151 /nfs/dbraw/zinc/11/61/51/945116151.db2.gz FBBQLGFFQULZNV-UHFFFAOYSA-N 1 2 355.394 3.524 20 5 FHBDLO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C1 ZINC000507298553 945116157 /nfs/dbraw/zinc/11/61/57/945116157.db2.gz FBBQLGFFQULZNV-UHFFFAOYSA-N 1 2 355.394 3.524 20 5 FHBDLO CCOCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000075358374 936009788 /nfs/dbraw/zinc/00/97/88/936009788.db2.gz DIDCMSRYTDNSFY-UHFFFAOYSA-N 1 2 366.377 3.569 20 5 FHBDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000162184758 938352940 /nfs/dbraw/zinc/35/29/40/938352940.db2.gz QNCODVRWCZRALB-VIFPVBQESA-N 1 2 356.245 3.973 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346107 940014604 /nfs/dbraw/zinc/01/46/04/940014604.db2.gz FSQJXXPLSFKZFC-UHFFFAOYSA-N 1 2 360.439 3.810 20 5 FHBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000365401277 940152392 /nfs/dbraw/zinc/15/23/92/940152392.db2.gz BQMWPXRWADHYBY-UHFFFAOYSA-N 1 2 370.434 3.615 20 5 FHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124829535 945322157 /nfs/dbraw/zinc/32/21/57/945322157.db2.gz JQHDBXXAYQEIOS-CYBMUJFWSA-N 1 2 368.393 3.894 20 5 FHBDLO CC[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000582596352 940754115 /nfs/dbraw/zinc/75/41/15/940754115.db2.gz IJWUUYBOGORHCE-QMTHXVAHSA-N 1 2 365.231 3.949 20 5 FHBDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170954465 940930257 /nfs/dbraw/zinc/93/02/57/940930257.db2.gz LFFUVCMDIOHRAV-CYBMUJFWSA-N 1 2 350.378 3.764 20 5 FHBDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000170954465 940930259 /nfs/dbraw/zinc/93/02/59/940930259.db2.gz LFFUVCMDIOHRAV-CYBMUJFWSA-N 1 2 350.378 3.764 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1F ZINC000101665731 942003266 /nfs/dbraw/zinc/00/32/66/942003266.db2.gz IPQPLHWCHNMTLF-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO Cc1cc(C)cc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000433995495 942033614 /nfs/dbraw/zinc/03/36/14/942033614.db2.gz YGOSJVMETKVIHC-UHFFFAOYSA-N 1 2 364.405 3.670 20 5 FHBDLO O=C(Nc1cccc(-n2cccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000584543092 942068984 /nfs/dbraw/zinc/06/89/84/942068984.db2.gz UNVGYRCPIZCSHU-UHFFFAOYSA-N 1 2 373.372 3.824 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C ZINC000103144471 942224027 /nfs/dbraw/zinc/22/40/27/942224027.db2.gz GBQNXADVWPIAMO-UHFFFAOYSA-N 1 2 368.393 3.594 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C ZINC000103144471 942224032 /nfs/dbraw/zinc/22/40/32/942224032.db2.gz GBQNXADVWPIAMO-UHFFFAOYSA-N 1 2 368.393 3.594 20 5 FHBDLO CC[C@@H]1C[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CC)O1 ZINC000420945808 942269708 /nfs/dbraw/zinc/26/97/08/942269708.db2.gz BGKVEKFHFNBFKU-APHBMKBZSA-N 1 2 360.414 3.595 20 5 FHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccncc3F)s2)cc1[N+](=O)[O-] ZINC000366833107 942427634 /nfs/dbraw/zinc/42/76/34/942427634.db2.gz YTOAWWKWBHQZTR-NSHDSACASA-N 1 2 373.413 3.807 20 5 FHBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000378248612 942455529 /nfs/dbraw/zinc/45/55/29/942455529.db2.gz NNYLFOURLXIGMY-LBPRGKRZSA-N 1 2 354.332 3.716 20 5 FHBDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000016418744 942582578 /nfs/dbraw/zinc/58/25/78/942582578.db2.gz TWBFVPHXQNABOR-UHFFFAOYSA-N 1 2 356.422 3.951 20 5 FHBDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000016418744 942582583 /nfs/dbraw/zinc/58/25/83/942582583.db2.gz TWBFVPHXQNABOR-UHFFFAOYSA-N 1 2 356.422 3.951 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434499018 942724774 /nfs/dbraw/zinc/72/47/74/942724774.db2.gz WPEVVVSIOMVFNJ-UHFFFAOYSA-N 1 2 371.412 3.803 20 5 FHBDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514116509 942755883 /nfs/dbraw/zinc/75/58/83/942755883.db2.gz IIBMFQRULATAHU-OAHLLOKOSA-N 1 2 371.437 3.761 20 5 FHBDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514116509 942755886 /nfs/dbraw/zinc/75/58/86/942755886.db2.gz IIBMFQRULATAHU-OAHLLOKOSA-N 1 2 371.437 3.761 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000421759713 942801853 /nfs/dbraw/zinc/80/18/53/942801853.db2.gz VJOBYHHCXPQXSU-UHFFFAOYSA-N 1 2 357.410 3.504 20 5 FHBDLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000505552392 943017847 /nfs/dbraw/zinc/01/78/47/943017847.db2.gz ZEGUZJJNPXOSAM-GOSISDBHSA-N 1 2 371.412 3.644 20 5 FHBDLO Cc1cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc(C)[nH+]1 ZINC000422212403 943056466 /nfs/dbraw/zinc/05/64/66/943056466.db2.gz QUAOZKPUPMOAGP-UHFFFAOYSA-N 1 2 356.426 3.727 20 5 FHBDLO COc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000434979794 943082800 /nfs/dbraw/zinc/08/28/00/943082800.db2.gz XFVBDPJYUXLMFN-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000434979794 943082806 /nfs/dbraw/zinc/08/28/06/943082806.db2.gz XFVBDPJYUXLMFN-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000504554677 943677083 /nfs/dbraw/zinc/67/70/83/943677083.db2.gz MJUBLUDAEMOALY-MRXNPFEDSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000504554677 943677089 /nfs/dbraw/zinc/67/70/89/943677089.db2.gz MJUBLUDAEMOALY-MRXNPFEDSA-N 1 2 355.438 3.555 20 5 FHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000424322179 943844074 /nfs/dbraw/zinc/84/40/74/943844074.db2.gz HZYLIXDPBXYIHA-IINYFYTJSA-N 1 2 361.423 3.566 20 5 FHBDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416857 943855437 /nfs/dbraw/zinc/85/54/37/943855437.db2.gz GVYBZYSZGXGSAD-LLVKDONJSA-N 1 2 350.216 3.945 20 5 FHBDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416857 943855443 /nfs/dbraw/zinc/85/54/43/943855443.db2.gz GVYBZYSZGXGSAD-LLVKDONJSA-N 1 2 350.216 3.945 20 5 FHBDLO O=C(Nc1nc(C2CCC2)cs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000436170364 944073346 /nfs/dbraw/zinc/07/33/46/944073346.db2.gz JRAIOWQWNARLPQ-UHFFFAOYSA-N 1 2 369.406 3.757 20 5 FHBDLO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000436268471 944142467 /nfs/dbraw/zinc/14/24/67/944142467.db2.gz UNSYLBLHPRIUEM-CYBMUJFWSA-N 1 2 372.450 3.697 20 5 FHBDLO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000436268471 944142469 /nfs/dbraw/zinc/14/24/69/944142469.db2.gz UNSYLBLHPRIUEM-CYBMUJFWSA-N 1 2 372.450 3.697 20 5 FHBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCCNc1cccc[nH+]1 ZINC000436393977 944271103 /nfs/dbraw/zinc/27/11/03/944271103.db2.gz VTIWIMBLBMINGF-UHFFFAOYSA-N 1 2 355.320 3.708 20 5 FHBDLO CNC(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000053550224 944343747 /nfs/dbraw/zinc/34/37/47/944343747.db2.gz SMJOLGDRLAXRQU-UHFFFAOYSA-N 1 2 354.410 3.607 20 5 FHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000439153841 944393552 /nfs/dbraw/zinc/39/35/52/944393552.db2.gz FRLBYXMSCVDOER-UHFFFAOYSA-N 1 2 374.759 3.850 20 5 FHBDLO COc1c(O)ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1[N+](=O)[O-] ZINC000894745394 944531553 /nfs/dbraw/zinc/53/15/53/944531553.db2.gz LYEPDFWHDDTANI-LLVKDONJSA-N 1 2 368.311 3.503 20 5 FHBDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507670826 945423768 /nfs/dbraw/zinc/42/37/68/945423768.db2.gz BJGILJUCNPOLDC-CQSZACIVSA-N 1 2 361.392 3.752 20 5 FHBDLO O=C(C[N@@H+]1CCCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000106887033 945425806 /nfs/dbraw/zinc/42/58/06/945425806.db2.gz DAJLVMMMDIWBDO-UHFFFAOYSA-N 1 2 359.813 3.635 20 5 FHBDLO O=C(C[N@H+]1CCCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000106887033 945425813 /nfs/dbraw/zinc/42/58/13/945425813.db2.gz DAJLVMMMDIWBDO-UHFFFAOYSA-N 1 2 359.813 3.635 20 5 FHBDLO COc1cccc([C@H](C)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000507687481 945436411 /nfs/dbraw/zinc/43/64/11/945436411.db2.gz HPXFZMTUXSKRPZ-KRWDZBQOSA-N 1 2 369.465 3.791 20 5 FHBDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507716527 945468844 /nfs/dbraw/zinc/46/88/44/945468844.db2.gz HPWZYPXUBHLKCQ-AWEZNQCLSA-N 1 2 361.392 3.752 20 5 FHBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000549536739 945872287 /nfs/dbraw/zinc/87/22/87/945872287.db2.gz WZBIMMPPXZZONP-LJQANCHMSA-N 1 2 358.394 3.559 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000444154671 945997436 /nfs/dbraw/zinc/99/74/36/945997436.db2.gz DYBSYCFTLQCIQY-BEFAXECRSA-N 1 2 353.422 3.783 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000444154671 945997445 /nfs/dbraw/zinc/99/74/45/945997445.db2.gz DYBSYCFTLQCIQY-BEFAXECRSA-N 1 2 353.422 3.783 20 5 FHBDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169396 946015191 /nfs/dbraw/zinc/01/51/91/946015191.db2.gz RJTDYAYWRNMEPY-UGSOOPFHSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169396 946015203 /nfs/dbraw/zinc/01/52/03/946015203.db2.gz RJTDYAYWRNMEPY-UGSOOPFHSA-N 1 2 357.385 3.756 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186568570 946554351 /nfs/dbraw/zinc/55/43/51/946554351.db2.gz LMZRLSCRWQDEJG-UHFFFAOYSA-N 1 2 354.410 3.515 20 5 FHBDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049974346 947179721 /nfs/dbraw/zinc/17/97/21/947179721.db2.gz JHCZQPZJDCFABY-LIRRHRJNSA-N 1 2 365.389 3.894 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)c3cccc(F)c3)cs2)c1 ZINC000523840046 947660739 /nfs/dbraw/zinc/66/07/39/947660739.db2.gz OUMJUMGAFHOJPL-KRWDZBQOSA-N 1 2 373.409 3.681 20 5 FHBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500440475 947878892 /nfs/dbraw/zinc/87/88/92/947878892.db2.gz KQLQBHOQJHJJAA-KGLIPLIRSA-N 1 2 373.478 3.700 20 5 FHBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500440475 947878896 /nfs/dbraw/zinc/87/88/96/947878896.db2.gz KQLQBHOQJHJJAA-KGLIPLIRSA-N 1 2 373.478 3.700 20 5 FHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441490720 948019049 /nfs/dbraw/zinc/01/90/49/948019049.db2.gz RBDQHCFKOJBRCP-GOSISDBHSA-N 1 2 364.405 3.579 20 5 FHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000441492716 948026924 /nfs/dbraw/zinc/02/69/24/948026924.db2.gz RNEVSQPKPPXNHS-INIZCTEOSA-N 1 2 370.434 3.641 20 5 FHBDLO CC1(C)C[C@@H]([NH2+]Cc2nncn2-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000279215820 948626587 /nfs/dbraw/zinc/62/65/87/948626587.db2.gz YQTZCOZFCBCKKG-GOSISDBHSA-N 1 2 363.421 3.688 20 5 FHBDLO COc1c2ccccc2oc1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000474010008 948721373 /nfs/dbraw/zinc/72/13/73/948721373.db2.gz NRQLZEFAJXEBKC-UHFFFAOYSA-N 1 2 372.377 3.657 20 5 FHBDLO CCCCCn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c(C)n1 ZINC000602582350 567993827 /nfs/dbraw/zinc/99/38/27/567993827.db2.gz WXTJHMBIVFTRBD-UHFFFAOYSA-N 1 2 357.414 3.721 20 5 FHBDLO Cc1nnc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)s1 ZINC000541870948 568035078 /nfs/dbraw/zinc/03/50/78/568035078.db2.gz DAJSVUMQNFSPKV-UHFFFAOYSA-N 1 2 369.450 3.812 20 5 FHBDLO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000436637858 568196686 /nfs/dbraw/zinc/19/66/86/568196686.db2.gz CHYJHWNZJKKTIR-UHFFFAOYSA-N 1 2 369.421 3.785 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CCCc2ccccc2)n1 ZINC000482002753 568220658 /nfs/dbraw/zinc/22/06/58/568220658.db2.gz RBPPFPKFJVYSJZ-UHFFFAOYSA-N 1 2 351.410 3.740 20 5 FHBDLO COc1cc(CNc2ccc(-c3ccccc3)c(C)[nH+]2)cc([N+](=O)[O-])c1O ZINC000570250804 568466404 /nfs/dbraw/zinc/46/64/04/568466404.db2.gz VHFOFSGQMHGTST-UHFFFAOYSA-N 1 2 365.389 3.713 20 5 FHBDLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196018 599268660 /nfs/dbraw/zinc/26/86/60/599268660.db2.gz IVUYVXMXJGRACE-NSHDSACASA-N 1 2 372.816 3.621 20 5 FHBDLO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196018 599268661 /nfs/dbraw/zinc/26/86/61/599268661.db2.gz IVUYVXMXJGRACE-NSHDSACASA-N 1 2 372.816 3.621 20 5 FHBDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000161539992 937126823 /nfs/dbraw/zinc/12/68/23/937126823.db2.gz LQNXVZDOMSWZCN-CYBMUJFWSA-N 1 2 368.393 3.813 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c4c(Cl)cccc34)C2)nc1 ZINC000557639431 927253807 /nfs/dbraw/zinc/25/38/07/927253807.db2.gz HAPXTZVTQLVTQX-LBPRGKRZSA-N 1 2 369.812 3.882 20 5 FHBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000430198488 927898284 /nfs/dbraw/zinc/89/82/84/927898284.db2.gz YRQIUMQTGJBOTG-OAHLLOKOSA-N 1 2 371.437 3.843 20 5 FHBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000430198488 927898309 /nfs/dbraw/zinc/89/83/09/927898309.db2.gz YRQIUMQTGJBOTG-OAHLLOKOSA-N 1 2 371.437 3.843 20 5 FHBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154149093 928254891 /nfs/dbraw/zinc/25/48/91/928254891.db2.gz OCAIHEITCYXCCY-QHCPKHFHSA-N 1 2 352.843 3.618 20 5 FHBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154149093 928254900 /nfs/dbraw/zinc/25/49/00/928254900.db2.gz OCAIHEITCYXCCY-QHCPKHFHSA-N 1 2 352.843 3.618 20 5 FHBDLO O=C(Nc1cccc2c1CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032626600 928940593 /nfs/dbraw/zinc/94/05/93/928940593.db2.gz XUPKGKBNKZPFMA-UHFFFAOYSA-N 1 2 362.389 3.912 20 5 FHBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868386 929418230 /nfs/dbraw/zinc/41/82/30/929418230.db2.gz HNWDWPJTCUOGBY-DYVFJYSZSA-N 1 2 365.393 3.623 20 5 FHBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868386 929418237 /nfs/dbraw/zinc/41/82/37/929418237.db2.gz HNWDWPJTCUOGBY-DYVFJYSZSA-N 1 2 365.393 3.623 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119101444 930661129 /nfs/dbraw/zinc/66/11/29/930661129.db2.gz SLVRLPKRMRLJPJ-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000537027182 930771513 /nfs/dbraw/zinc/77/15/13/930771513.db2.gz LVMYCQPNYMNMFP-GFCCVEGCSA-N 1 2 354.366 3.504 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084138371 932153245 /nfs/dbraw/zinc/15/32/45/932153245.db2.gz XLSIGLBFOLOAEZ-UHFFFAOYSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084138371 932153247 /nfs/dbraw/zinc/15/32/47/932153247.db2.gz XLSIGLBFOLOAEZ-UHFFFAOYSA-N 1 2 359.348 3.506 20 5 FHBDLO CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178110115 932513798 /nfs/dbraw/zinc/51/37/98/932513798.db2.gz WTNACHJGKXAPDK-GOEBONIOSA-N 1 2 356.426 3.821 20 5 FHBDLO CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178110079 932514253 /nfs/dbraw/zinc/51/42/53/932514253.db2.gz WTNACHJGKXAPDK-ZBFHGGJFSA-N 1 2 356.426 3.821 20 5 FHBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000477448351 932617262 /nfs/dbraw/zinc/61/72/62/932617262.db2.gz MXOWUUVJESELQU-UHFFFAOYSA-N 1 2 370.796 3.672 20 5 FHBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCOCC2)cc1 ZINC000071968908 935130057 /nfs/dbraw/zinc/13/00/57/935130057.db2.gz NGOZWIZZGMHCIT-FQEVSTJZSA-N 1 2 355.438 3.697 20 5 FHBDLO Cc1ccc([C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968851 935133673 /nfs/dbraw/zinc/13/36/73/935133673.db2.gz DYQVQIKXKFUCMB-LJQANCHMSA-N 1 2 359.401 3.528 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(Cl)ccc1F ZINC000511106678 935585361 /nfs/dbraw/zinc/58/53/61/935585361.db2.gz MPZJBLCGMYAKFS-UHFFFAOYSA-N 1 2 365.792 3.500 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1cc(Cl)ccc1F ZINC000511106678 935585364 /nfs/dbraw/zinc/58/53/64/935585364.db2.gz MPZJBLCGMYAKFS-UHFFFAOYSA-N 1 2 365.792 3.500 20 5 FHBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511121879 935690906 /nfs/dbraw/zinc/69/09/06/935690906.db2.gz FMRPPBVAKDASEN-CQSZACIVSA-N 1 2 352.394 3.880 20 5 FHBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511121879 935690907 /nfs/dbraw/zinc/69/09/07/935690907.db2.gz FMRPPBVAKDASEN-CQSZACIVSA-N 1 2 352.394 3.880 20 5 FHBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000728499845 935909103 /nfs/dbraw/zinc/90/91/03/935909103.db2.gz IZBNALKUXYYZJZ-UHFFFAOYSA-N 1 2 368.368 3.585 20 5 FHBDLO CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427208123 945177546 /nfs/dbraw/zinc/17/75/46/945177546.db2.gz BBYKXGHCQPFPRN-PBHICJAKSA-N 1 2 374.466 3.575 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128207348 938901731 /nfs/dbraw/zinc/90/17/31/938901731.db2.gz ZKBUGRIMMJXHOF-SFHVURJKSA-N 1 2 371.437 3.592 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128207348 938901734 /nfs/dbraw/zinc/90/17/34/938901734.db2.gz ZKBUGRIMMJXHOF-SFHVURJKSA-N 1 2 371.437 3.592 20 5 FHBDLO CCc1ccccc1NC(=O)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506775148 945293066 /nfs/dbraw/zinc/29/30/66/945293066.db2.gz VWVKPQLLPZYMCE-FLIBITNWSA-N 1 2 353.422 3.741 20 5 FHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000506775148 945293074 /nfs/dbraw/zinc/29/30/74/945293074.db2.gz VWVKPQLLPZYMCE-FLIBITNWSA-N 1 2 353.422 3.741 20 5 FHBDLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581166119 940494781 /nfs/dbraw/zinc/49/47/81/940494781.db2.gz PBPRVMJANIFVQN-HUUCEWRRSA-N 1 2 373.478 3.665 20 5 FHBDLO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c2ccncc21 ZINC000047537812 941755784 /nfs/dbraw/zinc/75/57/84/941755784.db2.gz BSZFBXXTQLCPHI-UHFFFAOYSA-N 1 2 359.389 4.000 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)c1C ZINC000433776737 941885181 /nfs/dbraw/zinc/88/51/81/941885181.db2.gz ZTZZYLDAPREHPR-UHFFFAOYSA-N 1 2 352.394 3.800 20 5 FHBDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465312 942273285 /nfs/dbraw/zinc/27/32/85/942273285.db2.gz NWOJCBPDHVTREU-ZDUSSCGKSA-N 1 2 355.373 3.508 20 5 FHBDLO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465312 942273289 /nfs/dbraw/zinc/27/32/89/942273289.db2.gz NWOJCBPDHVTREU-ZDUSSCGKSA-N 1 2 355.373 3.508 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)o1 ZINC000434789679 942968754 /nfs/dbraw/zinc/96/87/54/942968754.db2.gz ZJYYXTYCXNYZJO-INIZCTEOSA-N 1 2 355.438 3.961 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)o1 ZINC000434789679 942968759 /nfs/dbraw/zinc/96/87/59/942968759.db2.gz ZJYYXTYCXNYZJO-INIZCTEOSA-N 1 2 355.438 3.961 20 5 FHBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000503190392 943051058 /nfs/dbraw/zinc/05/10/58/943051058.db2.gz QDDMATXSDRCYMW-HZPDHXFCSA-N 1 2 355.438 3.807 20 5 FHBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000503190392 943051066 /nfs/dbraw/zinc/05/10/66/943051066.db2.gz QDDMATXSDRCYMW-HZPDHXFCSA-N 1 2 355.438 3.807 20 5 FHBDLO Cc1c(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503266321 943098512 /nfs/dbraw/zinc/09/85/12/943098512.db2.gz UHYLBRHAQFAVAN-MRXNPFEDSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1c(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503266321 943098520 /nfs/dbraw/zinc/09/85/20/943098520.db2.gz UHYLBRHAQFAVAN-MRXNPFEDSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1c(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503266319 943098535 /nfs/dbraw/zinc/09/85/35/943098535.db2.gz UHYLBRHAQFAVAN-INIZCTEOSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1c(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000503266319 943098545 /nfs/dbraw/zinc/09/85/45/943098545.db2.gz UHYLBRHAQFAVAN-INIZCTEOSA-N 1 2 355.438 3.555 20 5 FHBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435025438 943109634 /nfs/dbraw/zinc/10/96/34/943109634.db2.gz DAFXRTAFFBTELH-FNORWQNLSA-N 1 2 354.341 3.587 20 5 FHBDLO Cc1c(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000164058673 943259837 /nfs/dbraw/zinc/25/98/37/943259837.db2.gz JOWISPWBUOBAMV-UHFFFAOYSA-N 1 2 370.796 3.924 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3cccc(F)c3)C3CC3)n2)cc1 ZINC000053232248 943435395 /nfs/dbraw/zinc/43/53/95/943435395.db2.gz OCKHNFKEUICFHI-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3cccc(F)c3)C3CC3)n2)cc1 ZINC000053232248 943435397 /nfs/dbraw/zinc/43/53/97/943435397.db2.gz OCKHNFKEUICFHI-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCCC2 ZINC000417358070 943538900 /nfs/dbraw/zinc/53/89/00/943538900.db2.gz HMTRAVNPGHTRAI-AWEZNQCLSA-N 1 2 366.343 3.961 20 5 FHBDLO C[NH+](C)[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Cl)c1 ZINC000504252763 943563521 /nfs/dbraw/zinc/56/35/21/943563521.db2.gz KEUVPSLYSRHHCN-HNNXBMFYSA-N 1 2 358.785 3.949 20 5 FHBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000435918058 943854459 /nfs/dbraw/zinc/85/44/59/943854459.db2.gz SYJHVOQNTZPUAE-UHFFFAOYSA-N 1 2 366.377 3.619 20 5 FHBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425417384 943871277 /nfs/dbraw/zinc/87/12/77/943871277.db2.gz HQYYKPLCKHFOBK-LLVKDONJSA-N 1 2 350.216 3.945 20 5 FHBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425417384 943871279 /nfs/dbraw/zinc/87/12/79/943871279.db2.gz HQYYKPLCKHFOBK-LLVKDONJSA-N 1 2 350.216 3.945 20 5 FHBDLO CC(C)[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425478806 944073843 /nfs/dbraw/zinc/07/38/43/944073843.db2.gz NAIRISNNOHHYOU-OAHLLOKOSA-N 1 2 357.248 3.604 20 5 FHBDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425478806 944073852 /nfs/dbraw/zinc/07/38/52/944073852.db2.gz NAIRISNNOHHYOU-OAHLLOKOSA-N 1 2 357.248 3.604 20 5 FHBDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425491002 944123627 /nfs/dbraw/zinc/12/36/27/944123627.db2.gz ZWKWYZDQVVANQF-UHFFFAOYSA-N 1 2 350.216 3.693 20 5 FHBDLO Cc1ccncc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425491002 944123628 /nfs/dbraw/zinc/12/36/28/944123628.db2.gz ZWKWYZDQVVANQF-UHFFFAOYSA-N 1 2 350.216 3.693 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518292794 944254592 /nfs/dbraw/zinc/25/45/92/944254592.db2.gz QITQQRUXEPWXLZ-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO COc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184230101 944288086 /nfs/dbraw/zinc/28/80/86/944288086.db2.gz UXXOZNJJRJMFOQ-UHFFFAOYSA-N 1 2 358.369 3.737 20 5 FHBDLO COc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000184230101 944288098 /nfs/dbraw/zinc/28/80/98/944288098.db2.gz UXXOZNJJRJMFOQ-UHFFFAOYSA-N 1 2 358.369 3.737 20 5 FHBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000436417945 944292884 /nfs/dbraw/zinc/29/28/84/944292884.db2.gz GSCSVPYBLHHPAP-UHFFFAOYSA-N 1 2 363.299 3.806 20 5 FHBDLO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518399570 944339564 /nfs/dbraw/zinc/33/95/64/944339564.db2.gz XZVTZYSAMLYNLC-CQSZACIVSA-N 1 2 364.808 3.859 20 5 FHBDLO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518399570 944339569 /nfs/dbraw/zinc/33/95/69/944339569.db2.gz XZVTZYSAMLYNLC-CQSZACIVSA-N 1 2 364.808 3.859 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000507167114 944999577 /nfs/dbraw/zinc/99/95/77/944999577.db2.gz IJBLCWVZYUTEQH-UHFFFAOYSA-N 1 2 354.332 3.518 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnn(CC(F)(F)F)c1)C1CC1 ZINC000507167114 944999580 /nfs/dbraw/zinc/99/95/80/944999580.db2.gz IJBLCWVZYUTEQH-UHFFFAOYSA-N 1 2 354.332 3.518 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180358 945512399 /nfs/dbraw/zinc/51/23/99/945512399.db2.gz YPMASJMECWZUES-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126019235 945617820 /nfs/dbraw/zinc/61/78/20/945617820.db2.gz IHZBOMBWVXWDNO-KRWDZBQOSA-N 1 2 362.389 3.506 20 5 FHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000550105076 945875981 /nfs/dbraw/zinc/87/59/81/945875981.db2.gz IBQQUKXCGMFBOH-CYBMUJFWSA-N 1 2 374.750 3.911 20 5 FHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000550105076 945875991 /nfs/dbraw/zinc/87/59/91/945875991.db2.gz IBQQUKXCGMFBOH-CYBMUJFWSA-N 1 2 374.750 3.911 20 5 FHBDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169395 946015479 /nfs/dbraw/zinc/01/54/79/946015479.db2.gz RJTDYAYWRNMEPY-SCLBCKFNSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169395 946015491 /nfs/dbraw/zinc/01/54/91/946015491.db2.gz RJTDYAYWRNMEPY-SCLBCKFNSA-N 1 2 357.385 3.756 20 5 FHBDLO CC(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000444202876 946068095 /nfs/dbraw/zinc/06/80/95/946068095.db2.gz XUMVQKICPFVJJX-LBPRGKRZSA-N 1 2 353.850 3.943 20 5 FHBDLO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCCCC2 ZINC000408174321 946095331 /nfs/dbraw/zinc/09/53/31/946095331.db2.gz IYTXLOMWKIJXLG-UHFFFAOYSA-N 1 2 365.861 3.615 20 5 FHBDLO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCCCC2 ZINC000408174321 946095337 /nfs/dbraw/zinc/09/53/37/946095337.db2.gz IYTXLOMWKIJXLG-UHFFFAOYSA-N 1 2 365.861 3.615 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000121244832 946173672 /nfs/dbraw/zinc/17/36/72/946173672.db2.gz NPXUTJYQQQNTQU-INIZCTEOSA-N 1 2 373.409 3.752 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000121244832 946173677 /nfs/dbraw/zinc/17/36/77/946173677.db2.gz NPXUTJYQQQNTQU-INIZCTEOSA-N 1 2 373.409 3.752 20 5 FHBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000186463062 946302080 /nfs/dbraw/zinc/30/20/80/946302080.db2.gz QYJLGPMCLJKWQO-LBPRGKRZSA-N 1 2 371.828 3.895 20 5 FHBDLO Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015992093 946688209 /nfs/dbraw/zinc/68/82/09/946688209.db2.gz UMLLENVYCBAJKV-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000475365738 946951180 /nfs/dbraw/zinc/95/11/80/946951180.db2.gz SBENSOPKSRHCDM-NSHDSACASA-N 1 2 356.348 3.930 20 5 FHBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000475365738 946951188 /nfs/dbraw/zinc/95/11/88/946951188.db2.gz SBENSOPKSRHCDM-NSHDSACASA-N 1 2 356.348 3.930 20 5 FHBDLO O=[N+]([O-])c1ccc(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000278865642 947855013 /nfs/dbraw/zinc/85/50/13/947855013.db2.gz LQQOSQZOKXPKDG-UHFFFAOYSA-N 1 2 358.417 3.646 20 5 FHBDLO Cc1sc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500440473 947879124 /nfs/dbraw/zinc/87/91/24/947879124.db2.gz KQLQBHOQJHJJAA-KBPBESRZSA-N 1 2 373.478 3.700 20 5 FHBDLO Cc1sc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000500440473 947879129 /nfs/dbraw/zinc/87/91/29/947879129.db2.gz KQLQBHOQJHJJAA-KBPBESRZSA-N 1 2 373.478 3.700 20 5 FHBDLO CCOc1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520481024 947928665 /nfs/dbraw/zinc/92/86/65/947928665.db2.gz SFFGXOJNLJXLHQ-HXUWFJFHSA-N 1 2 356.422 3.741 20 5 FHBDLO CCOc1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520481024 947928669 /nfs/dbraw/zinc/92/86/69/947928669.db2.gz SFFGXOJNLJXLHQ-HXUWFJFHSA-N 1 2 356.422 3.741 20 5 FHBDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728896590 948584422 /nfs/dbraw/zinc/58/44/22/948584422.db2.gz HFDYNGUSZXYDBC-UHFFFAOYSA-N 1 2 358.348 3.826 20 5 FHBDLO C[N@H+](Cc1ccc(F)c(F)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728896590 948584426 /nfs/dbraw/zinc/58/44/26/948584426.db2.gz HFDYNGUSZXYDBC-UHFFFAOYSA-N 1 2 358.348 3.826 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1-c1ccccc1 ZINC000090111327 948660580 /nfs/dbraw/zinc/66/05/80/948660580.db2.gz OBJAEDLTNZQNID-QGZVFWFLSA-N 1 2 362.389 3.710 20 5 FHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000568066449 567832621 /nfs/dbraw/zinc/83/26/21/567832621.db2.gz ALLRWSISYRCNOB-ZDUSSCGKSA-N 1 2 359.451 3.742 20 5 FHBDLO COc1cc(C[NH2+]Cc2occc2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000291660559 568251648 /nfs/dbraw/zinc/25/16/48/568251648.db2.gz DYWXWXVXFJJTES-UHFFFAOYSA-N 1 2 374.315 3.736 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000541935146 568254515 /nfs/dbraw/zinc/25/45/15/568254515.db2.gz INVZYYSEUQOCJM-HNNXBMFYSA-N 1 2 355.373 3.681 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](c2[nH+]ccn2C)c2ccccc2F)n1 ZINC000541935147 568261086 /nfs/dbraw/zinc/26/10/86/568261086.db2.gz INVZYYSEUQOCJM-OAHLLOKOSA-N 1 2 355.373 3.681 20 5 FHBDLO CCCOc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC ZINC000569296790 568344091 /nfs/dbraw/zinc/34/40/91/568344091.db2.gz KLDLYMHEXVVECE-UHFFFAOYSA-N 1 2 372.421 3.787 20 5 FHBDLO CCCOc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)ccc1OC ZINC000569296790 568344092 /nfs/dbraw/zinc/34/40/92/568344092.db2.gz KLDLYMHEXVVECE-UHFFFAOYSA-N 1 2 372.421 3.787 20 5 FHBDLO O=C(C[N@@H+]1CCC=C(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000569714945 568413802 /nfs/dbraw/zinc/41/38/02/568413802.db2.gz PKLALQVXRVDKOI-UHFFFAOYSA-N 1 2 371.824 3.976 20 5 FHBDLO O=C(C[N@H+]1CCC=C(c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000569714945 568413803 /nfs/dbraw/zinc/41/38/03/568413803.db2.gz PKLALQVXRVDKOI-UHFFFAOYSA-N 1 2 371.824 3.976 20 5 FHBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007355477 568497361 /nfs/dbraw/zinc/49/73/61/568497361.db2.gz BEUWAXGWJWLIAZ-UHFFFAOYSA-N 1 2 361.829 3.579 20 5 FHBDLO Cc1c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cccc1[N+](=O)[O-] ZINC001167655942 937171314 /nfs/dbraw/zinc/17/13/14/937171314.db2.gz DRRTVCRKXMFUQY-UHFFFAOYSA-N 1 2 359.857 3.874 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000430227507 928315230 /nfs/dbraw/zinc/31/52/30/928315230.db2.gz PRBJENIOSNCUEC-UHFFFAOYSA-N 1 2 355.419 3.813 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000430228754 928327053 /nfs/dbraw/zinc/32/70/53/928327053.db2.gz DYXFFTMKVWODNA-UHFFFAOYSA-N 1 2 372.396 3.837 20 5 FHBDLO CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000176699063 937379631 /nfs/dbraw/zinc/37/96/31/937379631.db2.gz ATZZKTPIOCEPCI-LSDHHAIUSA-N 1 2 374.466 3.575 20 5 FHBDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000157789426 931318330 /nfs/dbraw/zinc/31/83/30/931318330.db2.gz FCEZQPLHAGTRDR-NSHDSACASA-N 1 2 357.414 3.847 20 5 FHBDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630999 932613528 /nfs/dbraw/zinc/61/35/28/932613528.db2.gz OQLUXANVNLSTAZ-AAEUAGOBSA-N 1 2 355.460 3.534 20 5 FHBDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630999 932613531 /nfs/dbraw/zinc/61/35/31/932613531.db2.gz OQLUXANVNLSTAZ-AAEUAGOBSA-N 1 2 355.460 3.534 20 5 FHBDLO CC[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610756131 932791372 /nfs/dbraw/zinc/79/13/72/932791372.db2.gz YKMHNKUTMVEYAL-HOTGVXAUSA-N 1 2 361.467 3.748 20 5 FHBDLO CC[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610756131 932791382 /nfs/dbraw/zinc/79/13/82/932791382.db2.gz YKMHNKUTMVEYAL-HOTGVXAUSA-N 1 2 361.467 3.748 20 5 FHBDLO COc1ccc(C[NH2+][C@@H](C)c2ncc(Br)s2)cc1[N+](=O)[O-] ZINC000539074996 935012425 /nfs/dbraw/zinc/01/24/25/935012425.db2.gz NSKHPQDZTGNXPM-QMMMGPOBSA-N 1 2 372.244 3.673 20 5 FHBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000548640854 935094335 /nfs/dbraw/zinc/09/43/35/935094335.db2.gz JXIYGYUEQMBHEW-IBGZPJMESA-N 1 2 356.422 3.509 20 5 FHBDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000548640854 935094339 /nfs/dbraw/zinc/09/43/39/935094339.db2.gz JXIYGYUEQMBHEW-IBGZPJMESA-N 1 2 356.422 3.509 20 5 FHBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000277439386 935175336 /nfs/dbraw/zinc/17/53/36/935175336.db2.gz JEJLOLYFMRRDDY-OZAJXLCCSA-N 1 2 364.492 3.666 20 5 FHBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@]1=O ZINC000277439386 935175339 /nfs/dbraw/zinc/17/53/39/935175339.db2.gz JEJLOLYFMRRDDY-OZAJXLCCSA-N 1 2 364.492 3.666 20 5 FHBDLO Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000563310534 935567529 /nfs/dbraw/zinc/56/75/29/935567529.db2.gz JPNCEWUDAURIHX-CYBMUJFWSA-N 1 2 367.327 3.975 20 5 FHBDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000479589767 935864225 /nfs/dbraw/zinc/86/42/25/935864225.db2.gz ACQXFUPTMMKPAC-UHFFFAOYSA-N 1 2 356.422 3.951 20 5 FHBDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000479589767 935864228 /nfs/dbraw/zinc/86/42/28/935864228.db2.gz ACQXFUPTMMKPAC-UHFFFAOYSA-N 1 2 356.422 3.951 20 5 FHBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(OC(F)F)cc1 ZINC000052689499 938490972 /nfs/dbraw/zinc/49/09/72/938490972.db2.gz GELGKYRVMCQKKW-UHFFFAOYSA-N 1 2 362.336 3.705 20 5 FHBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(OC(F)F)cc1 ZINC000052689499 938490974 /nfs/dbraw/zinc/49/09/74/938490974.db2.gz GELGKYRVMCQKKW-UHFFFAOYSA-N 1 2 362.336 3.705 20 5 FHBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000584320068 938685161 /nfs/dbraw/zinc/68/51/61/938685161.db2.gz AHFQBPXKWZNTRI-VIFPVBQESA-N 1 2 366.311 3.682 20 5 FHBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000584320068 938685163 /nfs/dbraw/zinc/68/51/63/938685163.db2.gz AHFQBPXKWZNTRI-VIFPVBQESA-N 1 2 366.311 3.682 20 5 FHBDLO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000782493893 938856353 /nfs/dbraw/zinc/85/63/53/938856353.db2.gz SYUBFJVFUCBAEN-UHFFFAOYSA-N 1 2 357.838 3.547 20 5 FHBDLO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000782493893 938856355 /nfs/dbraw/zinc/85/63/55/938856355.db2.gz SYUBFJVFUCBAEN-UHFFFAOYSA-N 1 2 357.838 3.547 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cncc(Br)c1)C1CC1 ZINC000179242492 938996418 /nfs/dbraw/zinc/99/64/18/938996418.db2.gz PRIVBXQZMOOOTL-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cncc(Br)c1)C1CC1 ZINC000179242492 938996419 /nfs/dbraw/zinc/99/64/19/938996419.db2.gz PRIVBXQZMOOOTL-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=C(C[N@@H+]1CCSC2(CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411872114 940145576 /nfs/dbraw/zinc/14/55/76/940145576.db2.gz UHSRYOIYOKCDKS-UHFFFAOYSA-N 1 2 369.874 3.548 20 5 FHBDLO O=C(C[N@H+]1CCSC2(CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000411872114 940145578 /nfs/dbraw/zinc/14/55/78/940145578.db2.gz UHSRYOIYOKCDKS-UHFFFAOYSA-N 1 2 369.874 3.548 20 5 FHBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc2n(n1)CCC2 ZINC000414145013 940674335 /nfs/dbraw/zinc/67/43/35/940674335.db2.gz MEAKVZWRYFMGPC-SNVBAGLBSA-N 1 2 354.332 3.607 20 5 FHBDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000452046627 940954153 /nfs/dbraw/zinc/95/41/53/940954153.db2.gz LHXCPFISYVQFBI-UHFFFAOYSA-N 1 2 364.829 3.641 20 5 FHBDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000452046627 940954155 /nfs/dbraw/zinc/95/41/55/940954155.db2.gz LHXCPFISYVQFBI-UHFFFAOYSA-N 1 2 364.829 3.641 20 5 FHBDLO C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000180407074 941005909 /nfs/dbraw/zinc/00/59/09/941005909.db2.gz BNCKEVPEMIFNBR-LBPRGKRZSA-N 1 2 357.801 3.680 20 5 FHBDLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180422019 941010348 /nfs/dbraw/zinc/01/03/48/941010348.db2.gz LIGZIAYPGDYIPV-LBPRGKRZSA-N 1 2 354.366 3.504 20 5 FHBDLO CN(C)c1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000181020729 941104030 /nfs/dbraw/zinc/10/40/30/941104030.db2.gz QFZKJXGDEBYOPM-NRFANRHFSA-N 1 2 362.433 3.935 20 5 FHBDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501084149 942301793 /nfs/dbraw/zinc/30/17/93/942301793.db2.gz JGZKJHZVZSASOH-UHFFFAOYSA-N 1 2 359.430 3.643 20 5 FHBDLO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413212438 942487023 /nfs/dbraw/zinc/48/70/23/942487023.db2.gz YSKZOARHPCJHPV-LSDHHAIUSA-N 1 2 368.771 3.779 20 5 FHBDLO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413212438 942487033 /nfs/dbraw/zinc/48/70/33/942487033.db2.gz YSKZOARHPCJHPV-LSDHHAIUSA-N 1 2 368.771 3.779 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1Oc1ccc(F)cc1 ZINC000421398017 942548842 /nfs/dbraw/zinc/54/88/42/942548842.db2.gz NCNBBAGBJGVBLU-LJQANCHMSA-N 1 2 358.369 3.891 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@]23CCOC3)ccc1Oc1ccc(F)cc1 ZINC000421398017 942548845 /nfs/dbraw/zinc/54/88/45/942548845.db2.gz NCNBBAGBJGVBLU-LJQANCHMSA-N 1 2 358.369 3.891 20 5 FHBDLO CC[C@H]([NH2+]Cc1nc(-c2ccccc2OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000378462095 942795045 /nfs/dbraw/zinc/79/50/45/942795045.db2.gz LNFGYNCSWJLBCH-INIZCTEOSA-N 1 2 368.393 3.894 20 5 FHBDLO CC(C)c1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000190172864 942849338 /nfs/dbraw/zinc/84/93/38/942849338.db2.gz QFORFBVGZLTILP-OAHLLOKOSA-N 1 2 370.453 3.547 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000425451351 943971143 /nfs/dbraw/zinc/97/11/43/943971143.db2.gz WXTPXVYFKIVROF-AWEZNQCLSA-N 1 2 369.259 3.606 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000425451351 943971144 /nfs/dbraw/zinc/97/11/44/943971144.db2.gz WXTPXVYFKIVROF-AWEZNQCLSA-N 1 2 369.259 3.606 20 5 FHBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000436381394 944250616 /nfs/dbraw/zinc/25/06/16/944250616.db2.gz AGBBHUNJILIVGZ-UHFFFAOYSA-N 1 2 363.299 3.806 20 5 FHBDLO Cc1cc(C)c(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)[nH+]1 ZINC000566604326 944288253 /nfs/dbraw/zinc/28/82/53/944288253.db2.gz QTFRPYYZKOAWSU-UHFFFAOYSA-N 1 2 367.409 3.761 20 5 FHBDLO CCn1c(SCc2c[nH+]cn2C)nc2cc3ccccc3cc2c1=O ZINC000439540658 944728169 /nfs/dbraw/zinc/72/81/69/944728169.db2.gz INCRMLFBJDCGCI-UHFFFAOYSA-N 1 2 350.447 3.595 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053717766 944747693 /nfs/dbraw/zinc/74/76/93/944747693.db2.gz PFUHAMHLRCKDJU-KRWDZBQOSA-N 1 2 373.384 3.518 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053717766 944747697 /nfs/dbraw/zinc/74/76/97/944747697.db2.gz PFUHAMHLRCKDJU-KRWDZBQOSA-N 1 2 373.384 3.518 20 5 FHBDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507716528 945469459 /nfs/dbraw/zinc/46/94/59/945469459.db2.gz HPWZYPXUBHLKCQ-CQSZACIVSA-N 1 2 361.392 3.752 20 5 FHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519749611 945715804 /nfs/dbraw/zinc/71/58/04/945715804.db2.gz XJLXQNVITAPNQQ-LPHOPBHVSA-N 1 2 360.385 3.792 20 5 FHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)cc1 ZINC000151870168 946094051 /nfs/dbraw/zinc/09/40/51/946094051.db2.gz AIIRUJICQZKMNS-UHFFFAOYSA-N 1 2 371.368 3.919 20 5 FHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186205692 946619490 /nfs/dbraw/zinc/61/94/90/946619490.db2.gz ZDDYIJLZVVILCP-OAHLLOKOSA-N 1 2 365.433 3.778 20 5 FHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186205692 946619492 /nfs/dbraw/zinc/61/94/92/946619492.db2.gz ZDDYIJLZVVILCP-OAHLLOKOSA-N 1 2 365.433 3.778 20 5 FHBDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000181820736 947001610 /nfs/dbraw/zinc/00/16/10/947001610.db2.gz LBHHAUSFHGGLRP-KRWDZBQOSA-N 1 2 360.385 3.907 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OC4CCCCC4)CC3)nc2c1 ZINC000444607029 947032850 /nfs/dbraw/zinc/03/28/50/947032850.db2.gz HXFFMIVZLKGAMP-UHFFFAOYSA-N 1 2 358.442 3.785 20 5 FHBDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000523437965 947266169 /nfs/dbraw/zinc/26/61/69/947266169.db2.gz CBCGDIKDEDGEJG-KRWDZBQOSA-N 1 2 362.380 3.541 20 5 FHBDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F ZINC000121539422 947584926 /nfs/dbraw/zinc/58/49/26/947584926.db2.gz CPPLMCATFKRKDL-LLVKDONJSA-N 1 2 372.356 3.643 20 5 FHBDLO CC1(C)C[C@H]([NH2+]Cc2nncn2-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000279215822 948626913 /nfs/dbraw/zinc/62/69/13/948626913.db2.gz YQTZCOZFCBCKKG-SFHVURJKSA-N 1 2 363.421 3.688 20 5 FHBDLO CC(C)c1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)on1 ZINC000602544998 567990057 /nfs/dbraw/zinc/99/00/57/567990057.db2.gz KDSKFHWHQYFWSP-UHFFFAOYSA-N 1 2 360.233 3.820 20 5 FHBDLO Cc1cc[nH+]c(NCCNc2ccc([N+](=O)[O-])cc2)c1Br ZINC000584671890 568128908 /nfs/dbraw/zinc/12/89/08/568128908.db2.gz PZAJHBFIIYEVPH-UHFFFAOYSA-N 1 2 351.204 3.585 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(Cc3c[nH+]cn3Cc3ccccc3)n2)s1 ZINC000569175637 568304689 /nfs/dbraw/zinc/30/46/89/568304689.db2.gz SOZCGIZSFZHWKI-UHFFFAOYSA-N 1 2 367.390 3.542 20 5 FHBDLO CCc1nn(C)c(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000569217566 568313290 /nfs/dbraw/zinc/31/32/90/568313290.db2.gz QULOYSIBPLWFMB-OLZOCXBDSA-N 1 2 368.441 3.905 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+](CC)c2ccccc2)c1 ZINC000569815775 568427210 /nfs/dbraw/zinc/42/72/10/568427210.db2.gz DVQGLIHAIHBYDP-UHFFFAOYSA-N 1 2 371.437 3.640 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](CC)c2ccccc2)c1 ZINC000569815775 568427211 /nfs/dbraw/zinc/42/72/11/568427211.db2.gz DVQGLIHAIHBYDP-UHFFFAOYSA-N 1 2 371.437 3.640 20 5 FHBDLO Cc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000177871729 931395534 /nfs/dbraw/zinc/39/55/34/931395534.db2.gz FPLVDQPHNVWVGR-AWEZNQCLSA-N 1 2 350.378 3.580 20 5 FHBDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661406 932836509 /nfs/dbraw/zinc/83/65/09/932836509.db2.gz DLVIPOHQEJKRMR-OLZOCXBDSA-N 1 2 367.421 3.612 20 5 FHBDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661406 932836517 /nfs/dbraw/zinc/83/65/17/932836517.db2.gz DLVIPOHQEJKRMR-OLZOCXBDSA-N 1 2 367.421 3.612 20 5 FHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(F)cc1F ZINC000051286902 932958622 /nfs/dbraw/zinc/95/86/22/932958622.db2.gz VBXCHYZMMRAVTD-MRXNPFEDSA-N 1 2 356.756 3.692 20 5 FHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(F)cc1F ZINC000051286902 932958626 /nfs/dbraw/zinc/95/86/26/932958626.db2.gz VBXCHYZMMRAVTD-MRXNPFEDSA-N 1 2 356.756 3.692 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000535680913 934273337 /nfs/dbraw/zinc/27/33/37/934273337.db2.gz QAZCKOZQKISGEF-LLVKDONJSA-N 1 2 365.792 3.846 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000535680913 934273343 /nfs/dbraw/zinc/27/33/43/934273343.db2.gz QAZCKOZQKISGEF-LLVKDONJSA-N 1 2 365.792 3.846 20 5 FHBDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588469942 934347681 /nfs/dbraw/zinc/34/76/81/934347681.db2.gz ZWXWFDWSYHPORY-QZDDGCDVSA-N 1 2 371.462 3.575 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611555922 934793172 /nfs/dbraw/zinc/79/31/72/934793172.db2.gz LAVITBFWKJJBFJ-HNNXBMFYSA-N 1 2 374.466 3.771 20 5 FHBDLO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000277439382 935175188 /nfs/dbraw/zinc/17/51/88/935175188.db2.gz JEJLOLYFMRRDDY-YEBMWUKDSA-N 1 2 364.492 3.666 20 5 FHBDLO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000277439382 935175192 /nfs/dbraw/zinc/17/51/92/935175192.db2.gz JEJLOLYFMRRDDY-YEBMWUKDSA-N 1 2 364.492 3.666 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC000611575437 935238680 /nfs/dbraw/zinc/23/86/80/935238680.db2.gz HKTWOIYGTDEYRM-INIZCTEOSA-N 1 2 354.328 3.520 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC000611575437 935238682 /nfs/dbraw/zinc/23/86/82/935238682.db2.gz HKTWOIYGTDEYRM-INIZCTEOSA-N 1 2 354.328 3.520 20 5 FHBDLO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccs1 ZINC000551393577 935269249 /nfs/dbraw/zinc/26/92/49/935269249.db2.gz VHGKPFJVHJVNIZ-UHFFFAOYSA-N 1 2 373.434 3.960 20 5 FHBDLO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccs1 ZINC000551393577 935269253 /nfs/dbraw/zinc/26/92/53/935269253.db2.gz VHGKPFJVHJVNIZ-UHFFFAOYSA-N 1 2 373.434 3.960 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000507306542 945133555 /nfs/dbraw/zinc/13/35/55/945133555.db2.gz UZQHLUJWJNCPAM-UHFFFAOYSA-N 1 2 370.434 3.675 20 5 FHBDLO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000584263608 938664061 /nfs/dbraw/zinc/66/40/61/938664061.db2.gz FLZXSQFVMFWMKJ-UHFFFAOYSA-N 1 2 364.405 3.688 20 5 FHBDLO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000584263608 938664062 /nfs/dbraw/zinc/66/40/62/938664062.db2.gz FLZXSQFVMFWMKJ-UHFFFAOYSA-N 1 2 364.405 3.688 20 5 FHBDLO CCOc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000080953273 938709287 /nfs/dbraw/zinc/70/92/87/938709287.db2.gz HLESQYFLDPVACA-UHFFFAOYSA-N 1 2 352.394 3.850 20 5 FHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000160434925 940447311 /nfs/dbraw/zinc/44/73/11/940447311.db2.gz VQSDULKCQOBYFY-UHFFFAOYSA-N 1 2 358.467 3.641 20 5 FHBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc2n(n1)CCC2 ZINC000414145006 940674244 /nfs/dbraw/zinc/67/42/44/940674244.db2.gz MEAKVZWRYFMGPC-JTQLQIEISA-N 1 2 354.332 3.607 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414266675 940864665 /nfs/dbraw/zinc/86/46/65/940864665.db2.gz VZNIKKISKPUUOS-CYBMUJFWSA-N 1 2 352.316 3.571 20 5 FHBDLO CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412025862 941023876 /nfs/dbraw/zinc/02/38/76/941023876.db2.gz KBCQXRCNYQEOGZ-LBPRGKRZSA-N 1 2 365.817 3.999 20 5 FHBDLO CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412025862 941023879 /nfs/dbraw/zinc/02/38/79/941023879.db2.gz KBCQXRCNYQEOGZ-LBPRGKRZSA-N 1 2 365.817 3.999 20 5 FHBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181432558 941237722 /nfs/dbraw/zinc/23/77/22/941237722.db2.gz BNHHIKKASFQPIO-CYBMUJFWSA-N 1 2 357.385 3.712 20 5 FHBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000782973920 941359930 /nfs/dbraw/zinc/35/99/30/941359930.db2.gz KRTDTSGSVXQCHU-UHFFFAOYSA-N 1 2 362.405 3.636 20 5 FHBDLO Cc1cccc(NC[C@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000119198687 941873498 /nfs/dbraw/zinc/87/34/98/941873498.db2.gz QEUZSHBBGPBTQI-CQSZACIVSA-N 1 2 360.845 3.886 20 5 FHBDLO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000119643809 941893626 /nfs/dbraw/zinc/89/36/26/941893626.db2.gz LADVEVFPHNZIEA-NSHDSACASA-N 1 2 368.842 3.503 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000182807562 941970063 /nfs/dbraw/zinc/97/00/63/941970063.db2.gz YOJBYJLPGUSXRF-IRXDYDNUSA-N 1 2 354.454 3.738 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC=C(c2ccccc2)C1 ZINC000501419716 942467733 /nfs/dbraw/zinc/46/77/33/942467733.db2.gz IIOLYVQLTPETOJ-UHFFFAOYSA-N 1 2 374.400 3.710 20 5 FHBDLO Cc1cc(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421575769 942666503 /nfs/dbraw/zinc/66/65/03/942666503.db2.gz KWSPKOLYROHJPS-UHFFFAOYSA-N 1 2 365.842 3.669 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000421749411 942795857 /nfs/dbraw/zinc/79/58/57/942795857.db2.gz PXTSDQABCFFEEX-UHFFFAOYSA-N 1 2 374.466 3.906 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160053 942833273 /nfs/dbraw/zinc/83/32/73/942833273.db2.gz LFHXAGHJTYGLFB-AWEZNQCLSA-N 1 2 373.375 3.752 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160053 942833279 /nfs/dbraw/zinc/83/32/79/942833279.db2.gz LFHXAGHJTYGLFB-AWEZNQCLSA-N 1 2 373.375 3.752 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000430105472 942902213 /nfs/dbraw/zinc/90/22/13/942902213.db2.gz WHNAMUJAKICAGD-MRXNPFEDSA-N 1 2 368.499 3.507 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000430105472 942902215 /nfs/dbraw/zinc/90/22/15/942902215.db2.gz WHNAMUJAKICAGD-MRXNPFEDSA-N 1 2 368.499 3.507 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000514391896 942980026 /nfs/dbraw/zinc/98/00/26/942980026.db2.gz QGBLHONEJABMPU-SFHVURJKSA-N 1 2 361.829 3.734 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1n[nH]cc1Br)CCCC2 ZINC000515003838 943444845 /nfs/dbraw/zinc/44/48/45/943444845.db2.gz CMSFACBNMKLFDU-CQSZACIVSA-N 1 2 365.231 3.638 20 5 FHBDLO COc1c(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000162381158 943492036 /nfs/dbraw/zinc/49/20/36/943492036.db2.gz NLHQVTPDQUBKLH-LJQANCHMSA-N 1 2 366.421 3.525 20 5 FHBDLO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425421864 943869497 /nfs/dbraw/zinc/86/94/97/943869497.db2.gz MNLDIYHCSLRRIO-AWEZNQCLSA-N 1 2 357.248 3.604 20 5 FHBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425421864 943869501 /nfs/dbraw/zinc/86/95/01/943869501.db2.gz MNLDIYHCSLRRIO-AWEZNQCLSA-N 1 2 357.248 3.604 20 5 FHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000504899907 943877969 /nfs/dbraw/zinc/87/79/69/943877969.db2.gz OESUODBHAQCQHD-NSHDSACASA-N 1 2 350.444 3.819 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000425451352 943971285 /nfs/dbraw/zinc/97/12/85/943971285.db2.gz WXTPXVYFKIVROF-CQSZACIVSA-N 1 2 369.259 3.606 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000425451352 943971290 /nfs/dbraw/zinc/97/12/90/943971290.db2.gz WXTPXVYFKIVROF-CQSZACIVSA-N 1 2 369.259 3.606 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccc(F)cc3)C3CC3)n2)c1 ZINC000506088141 943993690 /nfs/dbraw/zinc/99/36/90/943993690.db2.gz IKWMMPWMENBQNX-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)n2)c1 ZINC000506088141 943993695 /nfs/dbraw/zinc/99/36/95/943993695.db2.gz IKWMMPWMENBQNX-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccco4)CC3)o2)cc1 ZINC000506152767 944182892 /nfs/dbraw/zinc/18/28/92/944182892.db2.gz ZTXNEDPUURBALX-UHFFFAOYSA-N 1 2 367.405 3.766 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)o1 ZINC000518439737 944393140 /nfs/dbraw/zinc/39/31/40/944393140.db2.gz GUKXQUUXSLFKLN-UHFFFAOYSA-N 1 2 366.373 3.955 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)o1 ZINC000518439737 944393150 /nfs/dbraw/zinc/39/31/50/944393150.db2.gz GUKXQUUXSLFKLN-UHFFFAOYSA-N 1 2 366.373 3.955 20 5 FHBDLO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000054174015 944482165 /nfs/dbraw/zinc/48/21/65/944482165.db2.gz VRONITYBPADRQK-UHFFFAOYSA-N 1 2 371.462 3.713 20 5 FHBDLO O=C(NC1CC1)c1ccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000054174015 944482170 /nfs/dbraw/zinc/48/21/70/944482170.db2.gz VRONITYBPADRQK-UHFFFAOYSA-N 1 2 371.462 3.713 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000107681412 945757576 /nfs/dbraw/zinc/75/75/76/945757576.db2.gz OLCIQGHFJKTDFG-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000107681412 945757580 /nfs/dbraw/zinc/75/75/80/945757580.db2.gz OLCIQGHFJKTDFG-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(C(F)(F)F)c1 ZINC000475523818 946586203 /nfs/dbraw/zinc/58/62/03/946586203.db2.gz FKSLMSPNIHCIHN-UHFFFAOYSA-N 1 2 356.348 3.758 20 5 FHBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(C(F)(F)F)c1 ZINC000475523818 946586209 /nfs/dbraw/zinc/58/62/09/946586209.db2.gz FKSLMSPNIHCIHN-UHFFFAOYSA-N 1 2 356.348 3.758 20 5 FHBDLO CCc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000051373210 946690669 /nfs/dbraw/zinc/69/06/69/946690669.db2.gz OMQZRHBXVNAZAR-UHFFFAOYSA-N 1 2 352.394 3.839 20 5 FHBDLO CCc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000051373210 946690679 /nfs/dbraw/zinc/69/06/79/946690679.db2.gz OMQZRHBXVNAZAR-UHFFFAOYSA-N 1 2 352.394 3.839 20 5 FHBDLO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC001168074009 946752256 /nfs/dbraw/zinc/75/22/56/946752256.db2.gz PBAWFDCBCXDUEV-AWEZNQCLSA-N 1 2 359.401 3.973 20 5 FHBDLO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC001168074009 946752261 /nfs/dbraw/zinc/75/22/61/946752261.db2.gz PBAWFDCBCXDUEV-AWEZNQCLSA-N 1 2 359.401 3.973 20 5 FHBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(Cl)cc1 ZINC000025944126 946923345 /nfs/dbraw/zinc/92/33/45/946923345.db2.gz TWHIZTSCFCOGQI-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(Cl)cc1 ZINC000025944126 946923351 /nfs/dbraw/zinc/92/33/51/946923351.db2.gz TWHIZTSCFCOGQI-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278854350 947050093 /nfs/dbraw/zinc/05/00/93/947050093.db2.gz MANVMICYAPYNAI-UHFFFAOYSA-N 1 2 369.425 3.539 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cscc1Br ZINC000511938595 947053855 /nfs/dbraw/zinc/05/38/55/947053855.db2.gz BFGUOGZOBRTRMH-UHFFFAOYSA-N 1 2 357.229 3.717 20 5 FHBDLO Cc1cn2cc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)ccc2[nH+]1 ZINC000523423911 947255880 /nfs/dbraw/zinc/25/58/80/947255880.db2.gz QQDMAOMTGXATHW-UHFFFAOYSA-N 1 2 367.409 3.993 20 5 FHBDLO Cc1cc(C)c(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c[nH+]1 ZINC000459067170 948023644 /nfs/dbraw/zinc/02/36/44/948023644.db2.gz BGZCFVVIHOVXNC-UHFFFAOYSA-N 1 2 356.426 3.727 20 5 FHBDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000568497176 568037368 /nfs/dbraw/zinc/03/73/68/568037368.db2.gz IHDWLZQHRVQUMJ-CYBMUJFWSA-N 1 2 369.425 3.520 20 5 FHBDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000568497176 568037369 /nfs/dbraw/zinc/03/73/69/568037369.db2.gz IHDWLZQHRVQUMJ-CYBMUJFWSA-N 1 2 369.425 3.520 20 5 FHBDLO O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000481959465 568196944 /nfs/dbraw/zinc/19/69/44/568196944.db2.gz GTTKYBOEPSADIH-INIZCTEOSA-N 1 2 372.331 3.517 20 5 FHBDLO Cc1cccc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC000604011620 568198540 /nfs/dbraw/zinc/19/85/40/568198540.db2.gz OJPBFGZPNCLLHK-UHFFFAOYSA-N 1 2 350.378 3.674 20 5 FHBDLO Cc1c(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000032484171 568393033 /nfs/dbraw/zinc/39/30/33/568393033.db2.gz LLSKXOLXXHHXAQ-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO COc1cc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cc([N+](=O)[O-])c1C ZINC000570103472 568450885 /nfs/dbraw/zinc/45/08/85/568450885.db2.gz HEKPAKITKQXHBD-UHFFFAOYSA-N 1 2 352.350 3.554 20 5 FHBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120241350 927835377 /nfs/dbraw/zinc/83/53/77/927835377.db2.gz OGJJZIITGMMBGU-GOSISDBHSA-N 1 2 363.421 3.760 20 5 FHBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120241350 927835381 /nfs/dbraw/zinc/83/53/81/927835381.db2.gz OGJJZIITGMMBGU-GOSISDBHSA-N 1 2 363.421 3.760 20 5 FHBDLO Cc1cccn2cc(CCNC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH+]c12 ZINC000120271253 927927967 /nfs/dbraw/zinc/92/79/67/927927967.db2.gz XLNYCTGWFJQGTN-UHFFFAOYSA-N 1 2 367.409 3.532 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000430244715 928458048 /nfs/dbraw/zinc/45/80/48/928458048.db2.gz YSGKMRDJJWCNGN-JTQLQIEISA-N 1 2 366.215 3.612 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120571399 928948852 /nfs/dbraw/zinc/94/88/52/928948852.db2.gz ZELFMOSXKWTLPU-UHFFFAOYSA-N 1 2 371.437 3.761 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120571399 928948863 /nfs/dbraw/zinc/94/88/63/928948863.db2.gz ZELFMOSXKWTLPU-UHFFFAOYSA-N 1 2 371.437 3.761 20 5 FHBDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177684697 930111136 /nfs/dbraw/zinc/11/11/36/930111136.db2.gz OMMDHTCJCRMVBZ-OLZOCXBDSA-N 1 2 359.430 3.523 20 5 FHBDLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177684697 930111142 /nfs/dbraw/zinc/11/11/42/930111142.db2.gz OMMDHTCJCRMVBZ-OLZOCXBDSA-N 1 2 359.430 3.523 20 5 FHBDLO CCOc1ccc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000119189831 930830948 /nfs/dbraw/zinc/83/09/48/930830948.db2.gz XYOQDWVXEBTENX-CYBMUJFWSA-N 1 2 373.409 3.751 20 5 FHBDLO CCOc1ccc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000119189831 930830963 /nfs/dbraw/zinc/83/09/63/930830963.db2.gz XYOQDWVXEBTENX-CYBMUJFWSA-N 1 2 373.409 3.751 20 5 FHBDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581166117 931629826 /nfs/dbraw/zinc/62/98/26/931629826.db2.gz PBPRVMJANIFVQN-CABCVRRESA-N 1 2 373.478 3.665 20 5 FHBDLO CC(C)c1csc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000033229243 932068478 /nfs/dbraw/zinc/06/84/78/932068478.db2.gz XFNNYJSJYLTLKY-UHFFFAOYSA-N 1 2 357.395 3.613 20 5 FHBDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661429 932837434 /nfs/dbraw/zinc/83/74/34/932837434.db2.gz DLVIPOHQEJKRMR-STQMWFEESA-N 1 2 367.421 3.612 20 5 FHBDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661429 932837441 /nfs/dbraw/zinc/83/74/41/932837441.db2.gz DLVIPOHQEJKRMR-STQMWFEESA-N 1 2 367.421 3.612 20 5 FHBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000588448091 933383519 /nfs/dbraw/zinc/38/35/19/933383519.db2.gz GPCWIOZRFAWQEH-QINSGFPZSA-N 1 2 362.389 3.500 20 5 FHBDLO COc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610604864 933514602 /nfs/dbraw/zinc/51/46/02/933514602.db2.gz QDJWXOUKJZUCMU-AOOOYVTPSA-N 1 2 372.265 3.776 20 5 FHBDLO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610604864 933514603 /nfs/dbraw/zinc/51/46/03/933514603.db2.gz QDJWXOUKJZUCMU-AOOOYVTPSA-N 1 2 372.265 3.776 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000535786604 934376836 /nfs/dbraw/zinc/37/68/36/934376836.db2.gz XLRVFQCWPIGZDE-CQSZACIVSA-N 1 2 362.348 3.537 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000535786604 934376844 /nfs/dbraw/zinc/37/68/44/934376844.db2.gz XLRVFQCWPIGZDE-CQSZACIVSA-N 1 2 362.348 3.537 20 5 FHBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793853 934387243 /nfs/dbraw/zinc/38/72/43/934387243.db2.gz XKAQGGQKQBSIBD-KGLIPLIRSA-N 1 2 371.412 3.705 20 5 FHBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793853 934387254 /nfs/dbraw/zinc/38/72/54/934387254.db2.gz XKAQGGQKQBSIBD-KGLIPLIRSA-N 1 2 371.412 3.705 20 5 FHBDLO Cc1ccccc1-c1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000511076475 935289106 /nfs/dbraw/zinc/28/91/06/935289106.db2.gz XEKSJTBTDSNHFN-UHFFFAOYSA-N 1 2 352.394 3.628 20 5 FHBDLO Cc1ccccc1-c1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000511076475 935289109 /nfs/dbraw/zinc/28/91/09/935289109.db2.gz XEKSJTBTDSNHFN-UHFFFAOYSA-N 1 2 352.394 3.628 20 5 FHBDLO Cc1c(C[NH2+][C@@H](C)c2ncc(Br)s2)cccc1[N+](=O)[O-] ZINC000478489000 935635639 /nfs/dbraw/zinc/63/56/39/935635639.db2.gz LRMVLEWETSMDLK-VIFPVBQESA-N 1 2 356.245 3.973 20 5 FHBDLO CCc1ccc([C@@H](NCC[N@H+]2CC=CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479539231 935855968 /nfs/dbraw/zinc/85/59/68/935855968.db2.gz GINDZVWYPPIRLA-FQEVSTJZSA-N 1 2 355.438 3.691 20 5 FHBDLO CCc1ccc([C@@H](NCC[N@@H+]2CC=CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479539231 935855971 /nfs/dbraw/zinc/85/59/71/935855971.db2.gz GINDZVWYPPIRLA-FQEVSTJZSA-N 1 2 355.438 3.691 20 5 FHBDLO COc1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000051798470 935890017 /nfs/dbraw/zinc/89/00/17/935890017.db2.gz BZJVPOHYJGJIEY-GOSISDBHSA-N 1 2 356.422 3.785 20 5 FHBDLO COc1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000051798470 935890020 /nfs/dbraw/zinc/89/00/20/935890020.db2.gz BZJVPOHYJGJIEY-GOSISDBHSA-N 1 2 356.422 3.785 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000519115173 945137557 /nfs/dbraw/zinc/13/75/57/945137557.db2.gz LVSMVOFPGQCLEC-DOXZYTNZSA-N 1 2 353.422 3.923 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000519115173 945137563 /nfs/dbraw/zinc/13/75/63/945137563.db2.gz LVSMVOFPGQCLEC-DOXZYTNZSA-N 1 2 353.422 3.923 20 5 FHBDLO Cc1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000178921827 938300594 /nfs/dbraw/zinc/30/05/94/938300594.db2.gz HLBNTSNNPWFNTI-UHFFFAOYSA-N 1 2 370.331 3.685 20 5 FHBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000179431828 939155529 /nfs/dbraw/zinc/15/55/29/939155529.db2.gz LUQYJUUFEQWPHJ-UHFFFAOYSA-N 1 2 372.421 3.881 20 5 FHBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000179431828 939155531 /nfs/dbraw/zinc/15/55/31/939155531.db2.gz LUQYJUUFEQWPHJ-UHFFFAOYSA-N 1 2 372.421 3.881 20 5 FHBDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)c2)[nH+]c1C ZINC000364517381 939957847 /nfs/dbraw/zinc/95/78/47/939957847.db2.gz XXUGQNJSMVUQLX-UHFFFAOYSA-N 1 2 351.366 3.557 20 5 FHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000581032512 940490524 /nfs/dbraw/zinc/49/05/24/940490524.db2.gz MXVBGCYRBOCXLT-VMPITWQZSA-N 1 2 365.433 3.633 20 5 FHBDLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000128303814 941126057 /nfs/dbraw/zinc/12/60/57/941126057.db2.gz BIWWFJWHTDINIW-UHFFFAOYSA-N 1 2 371.437 3.545 20 5 FHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3F)no2)cc1[N+](=O)[O-] ZINC000189170216 941149437 /nfs/dbraw/zinc/14/94/37/941149437.db2.gz CVDYEIFOFRFTEB-GFCCVEGCSA-N 1 2 356.357 3.943 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000189585825 941166034 /nfs/dbraw/zinc/16/60/34/941166034.db2.gz QOFUJFRNZNVOOP-CQSZACIVSA-N 1 2 368.311 3.949 20 5 FHBDLO CCOC(=O)c1cc(NCc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000189752676 941271107 /nfs/dbraw/zinc/27/11/07/941271107.db2.gz LJIUJIHWSAMXQJ-UHFFFAOYSA-N 1 2 366.377 3.569 20 5 FHBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000183497147 942333206 /nfs/dbraw/zinc/33/32/06/942333206.db2.gz PHKDRUNBXFECAL-JTQLQIEISA-N 1 2 352.337 3.741 20 5 FHBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419970 942582513 /nfs/dbraw/zinc/58/25/13/942582513.db2.gz XSJQVSWTDPBFGV-HOTGVXAUSA-N 1 2 355.438 3.807 20 5 FHBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016419970 942582516 /nfs/dbraw/zinc/58/25/16/942582516.db2.gz XSJQVSWTDPBFGV-HOTGVXAUSA-N 1 2 355.438 3.807 20 5 FHBDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000502893364 942822142 /nfs/dbraw/zinc/82/21/42/942822142.db2.gz PSFVXADRKPFARQ-HXUWFJFHSA-N 1 2 372.396 3.840 20 5 FHBDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000502893364 942822145 /nfs/dbraw/zinc/82/21/45/942822145.db2.gz PSFVXADRKPFARQ-HXUWFJFHSA-N 1 2 372.396 3.840 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190175773 942854026 /nfs/dbraw/zinc/85/40/26/942854026.db2.gz LNMLRBJIGREIJD-CQSZACIVSA-N 1 2 373.375 3.752 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190175773 942854030 /nfs/dbraw/zinc/85/40/30/942854030.db2.gz LNMLRBJIGREIJD-CQSZACIVSA-N 1 2 373.375 3.752 20 5 FHBDLO COc1cc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)c([N+](=O)[O-])cc1OC ZINC000503052452 942952521 /nfs/dbraw/zinc/95/25/21/942952521.db2.gz YXHHUDHTZLEIPQ-UHFFFAOYSA-N 1 2 360.385 3.618 20 5 FHBDLO COc1cc(C[N@H+]2CCc3cc(F)cc(C)c3C2)c([N+](=O)[O-])cc1OC ZINC000503052452 942952525 /nfs/dbraw/zinc/95/25/25/942952525.db2.gz YXHHUDHTZLEIPQ-UHFFFAOYSA-N 1 2 360.385 3.618 20 5 FHBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000503082082 942965445 /nfs/dbraw/zinc/96/54/45/942965445.db2.gz FAYRLDSDXYCATN-OAHLLOKOSA-N 1 2 371.437 3.930 20 5 FHBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000503082082 942965447 /nfs/dbraw/zinc/96/54/47/942965447.db2.gz FAYRLDSDXYCATN-OAHLLOKOSA-N 1 2 371.437 3.930 20 5 FHBDLO CC(C)c1cccnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000504831756 943836758 /nfs/dbraw/zinc/83/67/58/943836758.db2.gz PGZCGKHYQJGXGA-UHFFFAOYSA-N 1 2 351.366 3.551 20 5 FHBDLO Cc1cccc(C[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000425412854 943838092 /nfs/dbraw/zinc/83/80/92/943838092.db2.gz GCHMWRKFTWVUHZ-UHFFFAOYSA-N 1 2 350.216 3.693 20 5 FHBDLO Cc1cccc(C[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000425412854 943838095 /nfs/dbraw/zinc/83/80/95/943838095.db2.gz GCHMWRKFTWVUHZ-UHFFFAOYSA-N 1 2 350.216 3.693 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000425418827 943873488 /nfs/dbraw/zinc/87/34/88/943873488.db2.gz JWANOSUXRIGITA-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000425418827 943873503 /nfs/dbraw/zinc/87/35/03/943873503.db2.gz JWANOSUXRIGITA-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531026 943892609 /nfs/dbraw/zinc/89/26/09/943892609.db2.gz ZFFNEBFILLZDJD-ZFWWWQNUSA-N 1 2 369.874 3.547 20 5 FHBDLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531026 943892617 /nfs/dbraw/zinc/89/26/17/943892617.db2.gz ZFFNEBFILLZDJD-ZFWWWQNUSA-N 1 2 369.874 3.547 20 5 FHBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000425495790 944118288 /nfs/dbraw/zinc/11/82/88/944118288.db2.gz TWHHGBQLXDRCAQ-AWEZNQCLSA-N 1 2 357.248 3.604 20 5 FHBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000425495790 944118291 /nfs/dbraw/zinc/11/82/91/944118291.db2.gz TWHHGBQLXDRCAQ-AWEZNQCLSA-N 1 2 357.248 3.604 20 5 FHBDLO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000436268472 944142185 /nfs/dbraw/zinc/14/21/85/944142185.db2.gz UNSYLBLHPRIUEM-ZDUSSCGKSA-N 1 2 372.450 3.697 20 5 FHBDLO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000436268472 944142189 /nfs/dbraw/zinc/14/21/89/944142189.db2.gz UNSYLBLHPRIUEM-ZDUSSCGKSA-N 1 2 372.450 3.697 20 5 FHBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000436409405 944297599 /nfs/dbraw/zinc/29/75/99/944297599.db2.gz YQBBLVMSZLQYDF-UHFFFAOYSA-N 1 2 350.256 3.987 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000506494697 944380789 /nfs/dbraw/zinc/38/07/89/944380789.db2.gz MLTGUGAXOLYQKB-UHFFFAOYSA-N 1 2 374.466 3.724 20 5 FHBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000506661848 944916200 /nfs/dbraw/zinc/91/62/00/944916200.db2.gz PGXABPOPRWBBBM-HNNXBMFYSA-N 1 2 364.785 3.646 20 5 FHBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000506661848 944916205 /nfs/dbraw/zinc/91/62/05/944916205.db2.gz PGXABPOPRWBBBM-HNNXBMFYSA-N 1 2 364.785 3.646 20 5 FHBDLO C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000280894612 945453228 /nfs/dbraw/zinc/45/32/28/945453228.db2.gz FHIIFXDUZSKBGO-SMDDNHRTSA-N 1 2 370.327 3.878 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)o1 ZINC000121220501 945720928 /nfs/dbraw/zinc/72/09/28/945720928.db2.gz PFTPICUULJBUFC-AWEZNQCLSA-N 1 2 352.394 3.958 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)o1 ZINC000121220501 945720931 /nfs/dbraw/zinc/72/09/31/945720931.db2.gz PFTPICUULJBUFC-AWEZNQCLSA-N 1 2 352.394 3.958 20 5 FHBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000108411201 945959769 /nfs/dbraw/zinc/95/97/69/945959769.db2.gz QLHIHIANHYELFU-UHFFFAOYSA-N 1 2 365.393 3.611 20 5 FHBDLO CSc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000186160494 946541978 /nfs/dbraw/zinc/54/19/78/946541978.db2.gz BXGSDMPEFGBLRC-UHFFFAOYSA-N 1 2 354.391 3.755 20 5 FHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000067523209 946593178 /nfs/dbraw/zinc/59/31/78/946593178.db2.gz OWECBQSJPRALSP-UHFFFAOYSA-N 1 2 374.759 3.503 20 5 FHBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279853 946817378 /nfs/dbraw/zinc/81/73/78/946817378.db2.gz OQXSRJZHNBYDLE-LDYMZIIASA-N 1 2 354.275 3.969 20 5 FHBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279853 946817391 /nfs/dbraw/zinc/81/73/91/946817391.db2.gz OQXSRJZHNBYDLE-LDYMZIIASA-N 1 2 354.275 3.969 20 5 FHBDLO CCc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025916467 946843274 /nfs/dbraw/zinc/84/32/74/946843274.db2.gz KJHGMWQXQVICGY-UHFFFAOYSA-N 1 2 352.394 3.839 20 5 FHBDLO CCc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025916467 946843292 /nfs/dbraw/zinc/84/32/92/946843292.db2.gz KJHGMWQXQVICGY-UHFFFAOYSA-N 1 2 352.394 3.839 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2ccnc3c2cccc3[N+](=O)[O-])c1C ZINC000432342084 948167351 /nfs/dbraw/zinc/16/73/51/948167351.db2.gz FURPCGALTMAAKR-UHFFFAOYSA-N 1 2 352.394 3.800 20 5 FHBDLO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+]2CCOCC2)cc1 ZINC000071968900 203798055 /nfs/dbraw/zinc/79/80/55/203798055.db2.gz HKXQCEAPKAQWSO-IBGZPJMESA-N 1 2 359.401 3.528 20 5 FHBDLO Cc1ccc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000051451942 567961029 /nfs/dbraw/zinc/96/10/29/567961029.db2.gz LAIZORMMZRCTPR-SFHVURJKSA-N 1 2 367.405 3.515 20 5 FHBDLO CC(C)(CCc1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000291067380 568009269 /nfs/dbraw/zinc/00/92/69/568009269.db2.gz KYRGITMCAGRDTG-OAHLLOKOSA-N 1 2 362.405 3.534 20 5 FHBDLO CC(C)(CCc1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000291067380 568009270 /nfs/dbraw/zinc/00/92/70/568009270.db2.gz KYRGITMCAGRDTG-OAHLLOKOSA-N 1 2 362.405 3.534 20 5 FHBDLO Cc1ccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000568537608 568048547 /nfs/dbraw/zinc/04/85/47/568048547.db2.gz ZNMLMLOZSZRRBI-UHFFFAOYSA-N 1 2 358.316 3.510 20 5 FHBDLO Cc1ccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000568537608 568048548 /nfs/dbraw/zinc/04/85/48/568048548.db2.gz ZNMLMLOZSZRRBI-UHFFFAOYSA-N 1 2 358.316 3.510 20 5 FHBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(Cl)c1 ZINC000051532245 568065437 /nfs/dbraw/zinc/06/54/37/568065437.db2.gz DJDZNLDUYODRHR-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1cccc(Cl)c1 ZINC000051532245 568065438 /nfs/dbraw/zinc/06/54/38/568065438.db2.gz DJDZNLDUYODRHR-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000024887459 568216986 /nfs/dbraw/zinc/21/69/86/568216986.db2.gz BQPQMDNDHCMLIG-LBPRGKRZSA-N 1 2 360.439 3.536 20 5 FHBDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000024887459 568216987 /nfs/dbraw/zinc/21/69/87/568216987.db2.gz BQPQMDNDHCMLIG-LBPRGKRZSA-N 1 2 360.439 3.536 20 5 FHBDLO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)C1 ZINC000506709269 945065372 /nfs/dbraw/zinc/06/53/72/945065372.db2.gz XNNHYEGSFDPOAU-CQSZACIVSA-N 1 2 369.421 3.785 20 5 FHBDLO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)C1 ZINC000506709269 945065383 /nfs/dbraw/zinc/06/53/83/945065383.db2.gz XNNHYEGSFDPOAU-CQSZACIVSA-N 1 2 369.421 3.785 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000394120597 929253979 /nfs/dbraw/zinc/25/39/79/929253979.db2.gz BBPHITODDFKEGM-MRXNPFEDSA-N 1 2 361.829 3.561 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000394120597 929253988 /nfs/dbraw/zinc/25/39/88/929253988.db2.gz BBPHITODDFKEGM-MRXNPFEDSA-N 1 2 361.829 3.561 20 5 FHBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868364 929415337 /nfs/dbraw/zinc/41/53/37/929415337.db2.gz HNWDWPJTCUOGBY-CXAGYDPISA-N 1 2 365.393 3.623 20 5 FHBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868364 929415411 /nfs/dbraw/zinc/41/54/11/929415411.db2.gz HNWDWPJTCUOGBY-CXAGYDPISA-N 1 2 365.393 3.623 20 5 FHBDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177684684 930111119 /nfs/dbraw/zinc/11/11/19/930111119.db2.gz OMMDHTCJCRMVBZ-STQMWFEESA-N 1 2 359.430 3.523 20 5 FHBDLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000177684684 930111123 /nfs/dbraw/zinc/11/11/23/930111123.db2.gz OMMDHTCJCRMVBZ-STQMWFEESA-N 1 2 359.430 3.523 20 5 FHBDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)C1 ZINC000749479331 930424144 /nfs/dbraw/zinc/42/41/44/930424144.db2.gz BDRLPLDNFZQXAP-AWEZNQCLSA-N 1 2 367.471 3.630 20 5 FHBDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)C1 ZINC000749479331 930424146 /nfs/dbraw/zinc/42/41/46/930424146.db2.gz BDRLPLDNFZQXAP-AWEZNQCLSA-N 1 2 367.471 3.630 20 5 FHBDLO Cc1c(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cccc1[N+](=O)[O-] ZINC000022291572 932254773 /nfs/dbraw/zinc/25/47/73/932254773.db2.gz KZIRFVRMYSGBJN-UHFFFAOYSA-N 1 2 374.466 3.844 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000535786595 934376585 /nfs/dbraw/zinc/37/65/85/934376585.db2.gz XLRVFQCWPIGZDE-AWEZNQCLSA-N 1 2 362.348 3.537 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000535786595 934376595 /nfs/dbraw/zinc/37/65/95/934376595.db2.gz XLRVFQCWPIGZDE-AWEZNQCLSA-N 1 2 362.348 3.537 20 5 FHBDLO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000892160403 935178740 /nfs/dbraw/zinc/17/87/40/935178740.db2.gz WSLSOIZEZVXLBL-UHFFFAOYSA-N 1 2 357.801 3.834 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000511095097 935457881 /nfs/dbraw/zinc/45/78/81/935457881.db2.gz ILZRSIBIWPKQBV-UHFFFAOYSA-N 1 2 372.812 3.572 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000511095097 935457884 /nfs/dbraw/zinc/45/78/84/935457884.db2.gz ILZRSIBIWPKQBV-UHFFFAOYSA-N 1 2 372.812 3.572 20 5 FHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000263873398 935473618 /nfs/dbraw/zinc/47/36/18/935473618.db2.gz HLUYNNWKIJQSSP-JQWIXIFHSA-N 1 2 370.331 3.980 20 5 FHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000263873398 935473619 /nfs/dbraw/zinc/47/36/19/935473619.db2.gz HLUYNNWKIJQSSP-JQWIXIFHSA-N 1 2 370.331 3.980 20 5 FHBDLO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)nnn1-c1ccccc1 ZINC000478492265 935636059 /nfs/dbraw/zinc/63/60/59/935636059.db2.gz UGPCGOHHKSAXAX-AWEZNQCLSA-N 1 2 351.410 3.643 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)Cc3ccccc3)cs2)c1 ZINC000158290684 935683746 /nfs/dbraw/zinc/68/37/46/935683746.db2.gz DYUOZCLAHCLIRK-UHFFFAOYSA-N 1 2 369.446 3.713 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+](CCO)Cc3ccccc3)cs2)c1 ZINC000158290684 935683751 /nfs/dbraw/zinc/68/37/51/935683751.db2.gz DYUOZCLAHCLIRK-UHFFFAOYSA-N 1 2 369.446 3.713 20 5 FHBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000725811160 938389551 /nfs/dbraw/zinc/38/95/51/938389551.db2.gz CWMJNGXYPOQCLI-OAHLLOKOSA-N 1 2 367.421 3.565 20 5 FHBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000725811160 938389555 /nfs/dbraw/zinc/38/95/55/938389555.db2.gz CWMJNGXYPOQCLI-OAHLLOKOSA-N 1 2 367.421 3.565 20 5 FHBDLO COc1cc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000584020998 938550879 /nfs/dbraw/zinc/55/08/79/938550879.db2.gz BXMRIZNRWUHDLP-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO COc1cc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000584020998 938550881 /nfs/dbraw/zinc/55/08/81/938550881.db2.gz BXMRIZNRWUHDLP-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO Cc1ccc2c(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)ccc(O)c2n1 ZINC000517205420 940151990 /nfs/dbraw/zinc/15/19/90/940151990.db2.gz YGUOFFRIZPGDEC-UHFFFAOYSA-N 1 2 365.389 3.552 20 5 FHBDLO Cc1ccc2c(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)ccc(O)c2n1 ZINC000517205420 940151993 /nfs/dbraw/zinc/15/19/93/940151993.db2.gz YGUOFFRIZPGDEC-UHFFFAOYSA-N 1 2 365.389 3.552 20 5 FHBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000365461142 940167606 /nfs/dbraw/zinc/16/76/06/940167606.db2.gz LNQVJZHHAIHYPJ-GFCCVEGCSA-N 1 2 370.434 3.563 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179978633 940183004 /nfs/dbraw/zinc/18/30/04/940183004.db2.gz DFFZFERFYITAGN-UHFFFAOYSA-N 1 2 370.352 3.781 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179978633 940183006 /nfs/dbraw/zinc/18/30/06/940183006.db2.gz DFFZFERFYITAGN-UHFFFAOYSA-N 1 2 370.352 3.781 20 5 FHBDLO CC(C)[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434552 940486208 /nfs/dbraw/zinc/48/62/08/940486208.db2.gz HXSWZEZRECOBER-UHFFFAOYSA-N 1 2 369.450 3.919 20 5 FHBDLO CC(C)[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434552 940486209 /nfs/dbraw/zinc/48/62/09/940486209.db2.gz HXSWZEZRECOBER-UHFFFAOYSA-N 1 2 369.450 3.919 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3csc(C4CCCC4)n3)C2)nc1 ZINC000173466678 940619932 /nfs/dbraw/zinc/61/99/32/940619932.db2.gz ODPLFCVIOPELMF-CQSZACIVSA-N 1 2 373.482 3.790 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3csc(C4CCCC4)n3)C2)nc1 ZINC000173466678 940619936 /nfs/dbraw/zinc/61/99/36/940619936.db2.gz ODPLFCVIOPELMF-CQSZACIVSA-N 1 2 373.482 3.790 20 5 FHBDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000582031969 940643486 /nfs/dbraw/zinc/64/34/86/940643486.db2.gz KJJHYJXRTHWKPG-UHFFFAOYSA-N 1 2 354.406 3.659 20 5 FHBDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000582031969 940643487 /nfs/dbraw/zinc/64/34/87/940643487.db2.gz KJJHYJXRTHWKPG-UHFFFAOYSA-N 1 2 354.406 3.659 20 5 FHBDLO CN(C)c1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000181020745 941104055 /nfs/dbraw/zinc/10/40/55/941104055.db2.gz QFZKJXGDEBYOPM-OAQYLSRUSA-N 1 2 362.433 3.935 20 5 FHBDLO CC(C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000431833723 941247934 /nfs/dbraw/zinc/24/79/34/941247934.db2.gz KOPAJZOSKFJQPS-UHFFFAOYSA-N 1 2 350.378 3.697 20 5 FHBDLO CC(=O)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000782978033 941365307 /nfs/dbraw/zinc/36/53/07/941365307.db2.gz JJXCYGDHGLACMB-UHFFFAOYSA-N 1 2 356.426 3.691 20 5 FHBDLO COc1c(O)ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)c1[N+](=O)[O-] ZINC000892951296 941787864 /nfs/dbraw/zinc/78/78/64/941787864.db2.gz MNOOWUXGLWKKEH-UHFFFAOYSA-N 1 2 363.439 3.633 20 5 FHBDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119221542 941870531 /nfs/dbraw/zinc/87/05/31/941870531.db2.gz HYOSABLUMUJNTL-AWEZNQCLSA-N 1 2 360.845 3.522 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000182807582 941970140 /nfs/dbraw/zinc/97/01/40/941970140.db2.gz YOJBYJLPGUSXRF-IAGOWNOFSA-N 1 2 354.454 3.738 20 5 FHBDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465314 942273991 /nfs/dbraw/zinc/27/39/91/942273991.db2.gz NWOJCBPDHVTREU-CYBMUJFWSA-N 1 2 355.373 3.508 20 5 FHBDLO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465314 942273995 /nfs/dbraw/zinc/27/39/95/942273995.db2.gz NWOJCBPDHVTREU-CYBMUJFWSA-N 1 2 355.373 3.508 20 5 FHBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000366539302 942555178 /nfs/dbraw/zinc/55/51/78/942555178.db2.gz BYMWWQUTMOYYBE-UHFFFAOYSA-N 1 2 350.378 3.783 20 5 FHBDLO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806426 942760163 /nfs/dbraw/zinc/76/01/63/942760163.db2.gz YPDUQJJCWMZZFT-UGSOOPFHSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806426 942760166 /nfs/dbraw/zinc/76/01/66/942760166.db2.gz YPDUQJJCWMZZFT-UGSOOPFHSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806424 942760320 /nfs/dbraw/zinc/76/03/20/942760320.db2.gz YPDUQJJCWMZZFT-FZKQIMNGSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806424 942760323 /nfs/dbraw/zinc/76/03/23/942760323.db2.gz YPDUQJJCWMZZFT-FZKQIMNGSA-N 1 2 362.813 3.565 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000434769196 942957472 /nfs/dbraw/zinc/95/74/72/942957472.db2.gz NENLUENIIMBTLB-UHFFFAOYSA-N 1 2 359.401 3.891 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000434769196 942957473 /nfs/dbraw/zinc/95/74/73/942957473.db2.gz NENLUENIIMBTLB-UHFFFAOYSA-N 1 2 359.401 3.891 20 5 FHBDLO Cc1cc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000515008599 943454678 /nfs/dbraw/zinc/45/46/78/943454678.db2.gz IAXDKRHBLCWNGX-UHFFFAOYSA-N 1 2 370.796 3.672 20 5 FHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000424322182 943843920 /nfs/dbraw/zinc/84/39/20/943843920.db2.gz HZYLIXDPBXYIHA-YGRLFVJLSA-N 1 2 361.423 3.566 20 5 FHBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425425475 943874090 /nfs/dbraw/zinc/87/40/90/943874090.db2.gz UMVLXVFNIOFBMI-NSHDSACASA-N 1 2 350.216 3.945 20 5 FHBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425425475 943874096 /nfs/dbraw/zinc/87/40/96/943874096.db2.gz UMVLXVFNIOFBMI-NSHDSACASA-N 1 2 350.216 3.945 20 5 FHBDLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531025 943892830 /nfs/dbraw/zinc/89/28/30/943892830.db2.gz ZFFNEBFILLZDJD-UKRRQHHQSA-N 1 2 369.874 3.547 20 5 FHBDLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531025 943892838 /nfs/dbraw/zinc/89/28/38/943892838.db2.gz ZFFNEBFILLZDJD-UKRRQHHQSA-N 1 2 369.874 3.547 20 5 FHBDLO C[C@@H]1C[N@H+](C)C[C@@H](c2nc(-c3c4ccccc4nc4ccccc43)no2)O1 ZINC000924145527 944045452 /nfs/dbraw/zinc/04/54/52/944045452.db2.gz DGVCPRVIFVYJCM-ACJLOTCBSA-N 1 2 360.417 3.830 20 5 FHBDLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nc(-c3c4ccccc4nc4ccccc43)no2)O1 ZINC000924145527 944045458 /nfs/dbraw/zinc/04/54/58/944045458.db2.gz DGVCPRVIFVYJCM-ACJLOTCBSA-N 1 2 360.417 3.830 20 5 FHBDLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000425495792 944117790 /nfs/dbraw/zinc/11/77/90/944117790.db2.gz TWHHGBQLXDRCAQ-CQSZACIVSA-N 1 2 357.248 3.604 20 5 FHBDLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000425495792 944117792 /nfs/dbraw/zinc/11/77/92/944117792.db2.gz TWHHGBQLXDRCAQ-CQSZACIVSA-N 1 2 357.248 3.604 20 5 FHBDLO COc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C ZINC000436397950 944274993 /nfs/dbraw/zinc/27/49/93/944274993.db2.gz QZRMWWGFHASAQN-UHFFFAOYSA-N 1 2 366.377 3.658 20 5 FHBDLO O=C(C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825850 944336214 /nfs/dbraw/zinc/33/62/14/944336214.db2.gz OAOHPPOFEUBDTK-GZKZCVOOSA-N 1 2 351.406 3.711 20 5 FHBDLO O=C(C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825850 944336216 /nfs/dbraw/zinc/33/62/16/944336216.db2.gz OAOHPPOFEUBDTK-GZKZCVOOSA-N 1 2 351.406 3.711 20 5 FHBDLO O=C(C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825851 944336580 /nfs/dbraw/zinc/33/65/80/944336580.db2.gz OAOHPPOFEUBDTK-MUSGIIIZSA-N 1 2 351.406 3.711 20 5 FHBDLO O=C(C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825851 944336585 /nfs/dbraw/zinc/33/65/85/944336585.db2.gz OAOHPPOFEUBDTK-MUSGIIIZSA-N 1 2 351.406 3.711 20 5 FHBDLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000506640479 944853678 /nfs/dbraw/zinc/85/36/78/944853678.db2.gz ZSPONMNZDDEDBA-CQSZACIVSA-N 1 2 360.385 3.545 20 5 FHBDLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000506640479 944853682 /nfs/dbraw/zinc/85/36/82/944853682.db2.gz ZSPONMNZDDEDBA-CQSZACIVSA-N 1 2 360.385 3.545 20 5 FHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000506662154 944914870 /nfs/dbraw/zinc/91/48/70/944914870.db2.gz LXAXZJHWVBGPBO-UHFFFAOYSA-N 1 2 352.394 3.556 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c1OCCCO2)C1CC1 ZINC000507169269 945018897 /nfs/dbraw/zinc/01/88/97/945018897.db2.gz VNAIOOKHHQZGCY-UHFFFAOYSA-N 1 2 354.406 3.921 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc2c1OCCCO2)C1CC1 ZINC000507169269 945018907 /nfs/dbraw/zinc/01/89/07/945018907.db2.gz VNAIOOKHHQZGCY-UHFFFAOYSA-N 1 2 354.406 3.921 20 5 FHBDLO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506357280 945025175 /nfs/dbraw/zinc/02/51/75/945025175.db2.gz PXJRGYKRIRAVGG-AWEZNQCLSA-N 1 2 369.421 3.927 20 5 FHBDLO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506357280 945025183 /nfs/dbraw/zinc/02/51/83/945025183.db2.gz PXJRGYKRIRAVGG-AWEZNQCLSA-N 1 2 369.421 3.927 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)ccc1Br ZINC000312856087 945053957 /nfs/dbraw/zinc/05/39/57/945053957.db2.gz MMHIYAFJBPQKMR-VIFPVBQESA-N 1 2 353.138 3.742 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1Br ZINC000312856087 945053961 /nfs/dbraw/zinc/05/39/61/945053961.db2.gz MMHIYAFJBPQKMR-VIFPVBQESA-N 1 2 353.138 3.742 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc1Br ZINC000312856083 945053998 /nfs/dbraw/zinc/05/39/98/945053998.db2.gz MMHIYAFJBPQKMR-SECBINFHSA-N 1 2 353.138 3.742 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1Br ZINC000312856083 945054007 /nfs/dbraw/zinc/05/40/07/945054007.db2.gz MMHIYAFJBPQKMR-SECBINFHSA-N 1 2 353.138 3.742 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000427471204 945400860 /nfs/dbraw/zinc/40/08/60/945400860.db2.gz LDSNEVHOJVBIKJ-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO Cc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000729479573 945762359 /nfs/dbraw/zinc/76/23/59/945762359.db2.gz LMVCEUAWTUTPON-OAHLLOKOSA-N 1 2 353.422 3.597 20 5 FHBDLO Cc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000729479573 945762366 /nfs/dbraw/zinc/76/23/66/945762366.db2.gz LMVCEUAWTUTPON-OAHLLOKOSA-N 1 2 353.422 3.597 20 5 FHBDLO CCc1cc(Nc2ccc3c(c2)[nH+]cn3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439710936 946009628 /nfs/dbraw/zinc/00/96/28/946009628.db2.gz UXNLVKZBEGHAOR-UHFFFAOYSA-N 1 2 374.404 3.666 20 5 FHBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000186145113 946516139 /nfs/dbraw/zinc/51/61/39/946516139.db2.gz SMNXDAMEAFIQHJ-OAHLLOKOSA-N 1 2 364.373 3.819 20 5 FHBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000186145113 946516146 /nfs/dbraw/zinc/51/61/46/946516146.db2.gz SMNXDAMEAFIQHJ-OAHLLOKOSA-N 1 2 364.373 3.819 20 5 FHBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H](CCO)c2ccco2)c2ccccc2)c1 ZINC000186555386 946550956 /nfs/dbraw/zinc/55/09/56/946550956.db2.gz WLBFKOJPMWUXPS-ICSRJNTNSA-N 1 2 352.390 3.991 20 5 FHBDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000184471534 946822519 /nfs/dbraw/zinc/82/25/19/946822519.db2.gz CLBAFRBYJHFFDT-ZDUSSCGKSA-N 1 2 354.834 3.802 20 5 FHBDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000184471534 946822522 /nfs/dbraw/zinc/82/25/22/946822522.db2.gz CLBAFRBYJHFFDT-ZDUSSCGKSA-N 1 2 354.834 3.802 20 5 FHBDLO Cc1cc(N(C(N)=[NH2+])c2ccc(F)cc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167993832 946863072 /nfs/dbraw/zinc/86/30/72/946863072.db2.gz WIDXAKVGLABBSD-UHFFFAOYSA-N 1 2 366.356 3.531 20 5 FHBDLO Cc1sc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500440476 947878674 /nfs/dbraw/zinc/87/86/74/947878674.db2.gz KQLQBHOQJHJJAA-UONOGXRCSA-N 1 2 373.478 3.700 20 5 FHBDLO Cc1sc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500440476 947878680 /nfs/dbraw/zinc/87/86/80/947878680.db2.gz KQLQBHOQJHJJAA-UONOGXRCSA-N 1 2 373.478 3.700 20 5 FHBDLO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000585808433 948329314 /nfs/dbraw/zinc/32/93/14/948329314.db2.gz HBNIGSNLPXSOFL-HNNXBMFYSA-N 1 2 371.441 3.958 20 5 FHBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000036660827 205019541 /nfs/dbraw/zinc/01/95/41/205019541.db2.gz CCSSJZITSAUJLK-UHFFFAOYSA-N 1 2 372.812 3.726 20 5 FHBDLO Cc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000109685053 206060924 /nfs/dbraw/zinc/06/09/24/206060924.db2.gz ZZKMWAXRKGNJTK-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000568317281 568023924 /nfs/dbraw/zinc/02/39/24/568023924.db2.gz NBNSBGOAOQOYMC-CQSZACIVSA-N 1 2 371.412 3.820 20 5 FHBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000568495443 568044583 /nfs/dbraw/zinc/04/45/83/568044583.db2.gz SVFZNJOYWGAKPO-UHFFFAOYSA-N 1 2 358.446 3.507 20 5 FHBDLO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)C1 ZINC000436629921 568096264 /nfs/dbraw/zinc/09/62/64/568096264.db2.gz YBFXCBWAXGGZIF-AWEZNQCLSA-N 1 2 369.421 3.785 20 5 FHBDLO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)C1 ZINC000436629921 568096265 /nfs/dbraw/zinc/09/62/65/568096265.db2.gz YBFXCBWAXGGZIF-AWEZNQCLSA-N 1 2 369.421 3.785 20 5 FHBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000568687108 568122774 /nfs/dbraw/zinc/12/27/74/568122774.db2.gz KIYXGYOIKDOMID-UHFFFAOYSA-N 1 2 373.800 3.780 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000541933443 568252275 /nfs/dbraw/zinc/25/22/75/568252275.db2.gz MGHBNEFLZGBICZ-UHFFFAOYSA-N 1 2 360.845 3.582 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000541952788 568271388 /nfs/dbraw/zinc/27/13/88/568271388.db2.gz UANVYMOOIMNJHI-KBPBESRZSA-N 1 2 369.421 3.550 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000541952788 568271389 /nfs/dbraw/zinc/27/13/89/568271389.db2.gz UANVYMOOIMNJHI-KBPBESRZSA-N 1 2 369.421 3.550 20 5 FHBDLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000570105912 568451350 /nfs/dbraw/zinc/45/13/50/568451350.db2.gz FMNJKVFHOFNGOF-BLLLJJGKSA-N 1 2 350.378 3.983 20 5 FHBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCCn2c(C)[nH+]c3ccccc32)c1 ZINC000542013296 568720602 /nfs/dbraw/zinc/72/06/02/568720602.db2.gz PCEZLMZMJLISSZ-UHFFFAOYSA-N 1 2 368.393 3.542 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175713681 927359737 /nfs/dbraw/zinc/35/97/37/927359737.db2.gz VKXDTFLFDAUEOK-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000430226032 928304053 /nfs/dbraw/zinc/30/40/53/928304053.db2.gz NSNOYMOYNSXVRG-LJQANCHMSA-N 1 2 374.412 3.924 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000430226032 928304065 /nfs/dbraw/zinc/30/40/65/928304065.db2.gz NSNOYMOYNSXVRG-LJQANCHMSA-N 1 2 374.412 3.924 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000430226031 928304308 /nfs/dbraw/zinc/30/43/08/928304308.db2.gz NSNOYMOYNSXVRG-IBGZPJMESA-N 1 2 374.412 3.924 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000430226031 928304316 /nfs/dbraw/zinc/30/43/16/928304316.db2.gz NSNOYMOYNSXVRG-IBGZPJMESA-N 1 2 374.412 3.924 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000430244342 928461367 /nfs/dbraw/zinc/46/13/67/928461367.db2.gz PCZVCZCFKBJECQ-ZJWNCGCPSA-N 1 2 362.451 3.534 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000430244342 928461371 /nfs/dbraw/zinc/46/13/71/928461371.db2.gz PCZVCZCFKBJECQ-ZJWNCGCPSA-N 1 2 362.451 3.534 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000583275692 937304050 /nfs/dbraw/zinc/30/40/50/937304050.db2.gz RSUFPNROSLBVIM-UHFFFAOYSA-N 1 2 352.350 3.636 20 5 FHBDLO C[NH+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC001125407119 930045821 /nfs/dbraw/zinc/04/58/21/930045821.db2.gz UCYFDLJTUDAFDH-OAHLLOKOSA-N 1 2 351.765 3.629 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C ZINC000175940097 930527955 /nfs/dbraw/zinc/52/79/55/930527955.db2.gz VLCNJNXHRMGQCE-UHFFFAOYSA-N 1 2 363.801 3.541 20 5 FHBDLO Cc1ccc(C[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000126739078 932421445 /nfs/dbraw/zinc/42/14/45/932421445.db2.gz MOAVZQHVNOXFBO-GFCCVEGCSA-N 1 2 370.434 3.511 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610605052 933514611 /nfs/dbraw/zinc/51/46/11/933514611.db2.gz WGLPZDIKISOKGM-PHIMTYICSA-N 1 2 372.265 3.776 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610605052 933514622 /nfs/dbraw/zinc/51/46/22/933514622.db2.gz WGLPZDIKISOKGM-PHIMTYICSA-N 1 2 372.265 3.776 20 5 FHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424983 933621703 /nfs/dbraw/zinc/62/17/03/933621703.db2.gz HAJCPPQVDRZEBC-TUAOUCFPSA-N 1 2 360.439 3.528 20 5 FHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548424983 933621709 /nfs/dbraw/zinc/62/17/09/933621709.db2.gz HAJCPPQVDRZEBC-TUAOUCFPSA-N 1 2 360.439 3.528 20 5 FHBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000431323698 935042601 /nfs/dbraw/zinc/04/26/01/935042601.db2.gz PFTBHMOZPPZYEL-UHFFFAOYSA-N 1 2 368.368 3.836 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(F)(F)F)CC1 ZINC000551403750 935270451 /nfs/dbraw/zinc/27/04/51/935270451.db2.gz NBRULCRQGHADQP-NSHDSACASA-N 1 2 359.348 3.586 20 5 FHBDLO Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1[N+](=O)[O-] ZINC000014526196 935351265 /nfs/dbraw/zinc/35/12/65/935351265.db2.gz ZAVDAGWIYXTFNP-UHFFFAOYSA-N 1 2 374.466 3.844 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000120097149 935873242 /nfs/dbraw/zinc/87/32/42/935873242.db2.gz ZYIGWRYQHRYUOO-SJKOYZFVSA-N 1 2 357.414 3.523 20 5 FHBDLO COc1cccc(C(F)(F)C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000582624544 935884989 /nfs/dbraw/zinc/88/49/89/935884989.db2.gz MZNZNWRRBZXAAG-CYBMUJFWSA-N 1 2 365.380 3.701 20 5 FHBDLO COC(=O)c1ccc(F)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000511196277 936127820 /nfs/dbraw/zinc/12/78/20/936127820.db2.gz GHRABPYIWBBBCE-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO COC(=O)c1ccc(F)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000511196277 936127824 /nfs/dbraw/zinc/12/78/24/936127824.db2.gz GHRABPYIWBBBCE-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3cccs3)C3CC3)n2)cc1 ZINC000052534848 938370244 /nfs/dbraw/zinc/37/02/44/938370244.db2.gz XXBNPDLOAPTLBU-UHFFFAOYSA-N 1 2 356.407 3.871 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3cccs3)C3CC3)n2)cc1 ZINC000052534848 938370246 /nfs/dbraw/zinc/37/02/46/938370246.db2.gz XXBNPDLOAPTLBU-UHFFFAOYSA-N 1 2 356.407 3.871 20 5 FHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289966363 938920207 /nfs/dbraw/zinc/92/02/07/938920207.db2.gz WYTMIAZBIWFMSB-UHOFOFEASA-N 1 2 372.425 3.595 20 5 FHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289966363 938920208 /nfs/dbraw/zinc/92/02/08/938920208.db2.gz WYTMIAZBIWFMSB-UHOFOFEASA-N 1 2 372.425 3.595 20 5 FHBDLO Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000139727975 938943545 /nfs/dbraw/zinc/94/35/45/938943545.db2.gz AGHOZETXXSMSMO-UHFFFAOYSA-N 1 2 350.378 3.512 20 5 FHBDLO Cc1ncc2c(n1)CC[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000139727975 938943546 /nfs/dbraw/zinc/94/35/46/938943546.db2.gz AGHOZETXXSMSMO-UHFFFAOYSA-N 1 2 350.378 3.512 20 5 FHBDLO Cc1cc(NCCCCn2cc[nH+]c2)c(Br)cc1[N+](=O)[O-] ZINC000235875648 939013840 /nfs/dbraw/zinc/01/38/40/939013840.db2.gz XQMSVGGSHABZDF-UHFFFAOYSA-N 1 2 353.220 3.755 20 5 FHBDLO CCCn1c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc2ccccc21 ZINC000278799697 940187498 /nfs/dbraw/zinc/18/74/98/940187498.db2.gz XJYJGSNBXSWNJW-UHFFFAOYSA-N 1 2 364.409 3.521 20 5 FHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000581741955 940511091 /nfs/dbraw/zinc/51/10/91/940511091.db2.gz APMMUTMPZQYKNR-UHFFFAOYSA-N 1 2 355.394 3.539 20 5 FHBDLO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(Cl)cc1 ZINC000180416906 941004711 /nfs/dbraw/zinc/00/47/11/941004711.db2.gz LGSOQLQVLJKHBQ-LBPRGKRZSA-N 1 2 371.828 3.988 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](CF)C3)o2)c(Cl)c1 ZINC000414472599 941295736 /nfs/dbraw/zinc/29/57/36/941295736.db2.gz SSRXMTHDNSYDFE-CYBMUJFWSA-N 1 2 354.765 3.679 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](CF)C3)o2)c(Cl)c1 ZINC000414472599 941295738 /nfs/dbraw/zinc/29/57/38/941295738.db2.gz SSRXMTHDNSYDFE-CYBMUJFWSA-N 1 2 354.765 3.679 20 5 FHBDLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181534850 941530284 /nfs/dbraw/zinc/53/02/84/941530284.db2.gz SEVMWRIXGMCKFW-RYUDHWBXSA-N 1 2 354.366 3.762 20 5 FHBDLO COc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000128374578 942169135 /nfs/dbraw/zinc/16/91/35/942169135.db2.gz BETFUWLIHVMRNQ-KRWDZBQOSA-N 1 2 374.462 3.902 20 5 FHBDLO COc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000128374578 942169139 /nfs/dbraw/zinc/16/91/39/942169139.db2.gz BETFUWLIHVMRNQ-KRWDZBQOSA-N 1 2 374.462 3.902 20 5 FHBDLO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420945815 942269667 /nfs/dbraw/zinc/26/96/67/942269667.db2.gz BGKVEKFHFNBFKU-VBNZEHGJSA-N 1 2 360.414 3.595 20 5 FHBDLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420945815 942269672 /nfs/dbraw/zinc/26/96/72/942269672.db2.gz BGKVEKFHFNBFKU-VBNZEHGJSA-N 1 2 360.414 3.595 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949644 942271750 /nfs/dbraw/zinc/27/17/50/942271750.db2.gz OWZPVLOTZLHUJE-VXGBXAGGSA-N 1 2 359.348 3.586 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949644 942271754 /nfs/dbraw/zinc/27/17/54/942271754.db2.gz OWZPVLOTZLHUJE-VXGBXAGGSA-N 1 2 359.348 3.586 20 5 FHBDLO C[NH+](C)[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Cl)c1 ZINC000504223900 943553975 /nfs/dbraw/zinc/55/39/75/943553975.db2.gz ZJLMWNRMYJLUBQ-HNNXBMFYSA-N 1 2 358.785 3.949 20 5 FHBDLO O=[N+]([O-])c1c(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc2sccn21 ZINC000516892484 943785566 /nfs/dbraw/zinc/78/55/66/943785566.db2.gz OECGNFHFBRQWBZ-HAQNSBGRSA-N 1 2 358.427 3.534 20 5 FHBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425425474 943874391 /nfs/dbraw/zinc/87/43/91/943874391.db2.gz UMVLXVFNIOFBMI-LLVKDONJSA-N 1 2 350.216 3.945 20 5 FHBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425425474 943874400 /nfs/dbraw/zinc/87/44/00/943874400.db2.gz UMVLXVFNIOFBMI-LLVKDONJSA-N 1 2 350.216 3.945 20 5 FHBDLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000425430784 943891012 /nfs/dbraw/zinc/89/10/12/943891012.db2.gz GKXUGZFLTMZXAP-CYBMUJFWSA-N 1 2 369.215 3.736 20 5 FHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000504927778 943924995 /nfs/dbraw/zinc/92/49/95/943924995.db2.gz UKWQNBPICMPRRO-NSHDSACASA-N 1 2 372.347 3.603 20 5 FHBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)c1 ZINC000437585227 943947081 /nfs/dbraw/zinc/94/70/81/943947081.db2.gz ALSNXBCDPMTELN-UHFFFAOYSA-N 1 2 354.385 3.537 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000559863745 944023670 /nfs/dbraw/zinc/02/36/70/944023670.db2.gz LXGYNYAFXULEND-WDEREUQCSA-N 1 2 365.231 3.868 20 5 FHBDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425478308 944074437 /nfs/dbraw/zinc/07/44/37/944074437.db2.gz NAIRISNNOHHYOU-HNNXBMFYSA-N 1 2 357.248 3.604 20 5 FHBDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425478308 944074450 /nfs/dbraw/zinc/07/44/50/944074450.db2.gz NAIRISNNOHHYOU-HNNXBMFYSA-N 1 2 357.248 3.604 20 5 FHBDLO COc1cc(F)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000517748317 944575230 /nfs/dbraw/zinc/57/52/30/944575230.db2.gz HCEYDHQJJXTREG-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO COc1cc(F)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1OC ZINC000517748317 944575234 /nfs/dbraw/zinc/57/52/34/944575234.db2.gz HCEYDHQJJXTREG-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO CC(C)c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000505886497 944683687 /nfs/dbraw/zinc/68/36/87/944683687.db2.gz GOTPRMCGUUSGTH-UHFFFAOYSA-N 1 2 355.438 3.746 20 5 FHBDLO CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001126001862 945548477 /nfs/dbraw/zinc/54/84/77/945548477.db2.gz XCYBFMCXHNPEQN-GOEBONIOSA-N 1 2 356.426 3.725 20 5 FHBDLO Cc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126019236 945617753 /nfs/dbraw/zinc/61/77/53/945617753.db2.gz IHZBOMBWVXWDNO-QGZVFWFLSA-N 1 2 362.389 3.506 20 5 FHBDLO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000121215515 945700003 /nfs/dbraw/zinc/70/00/03/945700003.db2.gz UOMQSQSJDBVHQJ-INIZCTEOSA-N 1 2 373.409 3.752 20 5 FHBDLO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000121215515 945700009 /nfs/dbraw/zinc/70/00/09/945700009.db2.gz UOMQSQSJDBVHQJ-INIZCTEOSA-N 1 2 373.409 3.752 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000444008447 945718190 /nfs/dbraw/zinc/71/81/90/945718190.db2.gz GDZKERXXQJGWGJ-UHFFFAOYSA-N 1 2 363.364 3.760 20 5 FHBDLO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000549536244 945847622 /nfs/dbraw/zinc/84/76/22/945847622.db2.gz QSMCWTPSTYEBKH-ZDUSSCGKSA-N 1 2 360.410 3.949 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000108185852 945878785 /nfs/dbraw/zinc/87/87/85/945878785.db2.gz IJDYGPULUKFLRG-NRFANRHFSA-N 1 2 363.417 3.880 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000108185852 945878810 /nfs/dbraw/zinc/87/88/10/945878810.db2.gz IJDYGPULUKFLRG-NRFANRHFSA-N 1 2 363.417 3.880 20 5 FHBDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169393 946015880 /nfs/dbraw/zinc/01/58/80/946015880.db2.gz RJTDYAYWRNMEPY-ACJLOTCBSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169393 946015894 /nfs/dbraw/zinc/01/58/94/946015894.db2.gz RJTDYAYWRNMEPY-ACJLOTCBSA-N 1 2 357.385 3.756 20 5 FHBDLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375069 946935165 /nfs/dbraw/zinc/93/51/65/946935165.db2.gz XXKPYWLGHCIONI-AWEZNQCLSA-N 1 2 365.842 3.547 20 5 FHBDLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375069 946935171 /nfs/dbraw/zinc/93/51/71/946935171.db2.gz XXKPYWLGHCIONI-AWEZNQCLSA-N 1 2 365.842 3.547 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)Cc3cccc(Cl)c3)nc2c1 ZINC000444665392 947092220 /nfs/dbraw/zinc/09/22/20/947092220.db2.gz OVKSNMSECITQPE-UHFFFAOYSA-N 1 2 374.828 3.509 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)Cc3cccc(Cl)c3)nc2c1 ZINC000444665392 947092212 /nfs/dbraw/zinc/09/22/12/947092212.db2.gz OVKSNMSECITQPE-UHFFFAOYSA-N 1 2 374.828 3.509 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccc(F)cc4F)CCC3)nc2c1 ZINC000444675978 947100071 /nfs/dbraw/zinc/10/00/71/947100071.db2.gz OXBZDHVARCRGBX-UHFFFAOYSA-N 1 2 358.348 3.918 20 5 FHBDLO O=C(CCCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000075352057 948078428 /nfs/dbraw/zinc/07/84/28/948078428.db2.gz UUTUMNHCLJUDRS-UHFFFAOYSA-N 1 2 364.405 3.805 20 5 FHBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)on1 ZINC000728897456 948620237 /nfs/dbraw/zinc/62/02/37/948620237.db2.gz RIRJBLPTCWVZLT-KRWDZBQOSA-N 1 2 353.382 3.549 20 5 FHBDLO Cc1cc([C@@H]2CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)on1 ZINC000728897456 948620240 /nfs/dbraw/zinc/62/02/40/948620240.db2.gz RIRJBLPTCWVZLT-KRWDZBQOSA-N 1 2 353.382 3.549 20 5 FHBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000090111365 948661326 /nfs/dbraw/zinc/66/13/26/948661326.db2.gz STSYTSTYNNXJJY-YJBOKZPZSA-N 1 2 363.421 3.941 20 5 FHBDLO Cn1ccc2c1cccc2NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110491525 206075373 /nfs/dbraw/zinc/07/53/73/206075373.db2.gz JECWQQMZWZOCGM-UHFFFAOYSA-N 1 2 361.361 3.525 20 5 FHBDLO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633801 568158091 /nfs/dbraw/zinc/15/80/91/568158091.db2.gz MKJJODBNRLWQKK-UHFFFAOYSA-N 1 2 369.421 3.581 20 5 FHBDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1[N+](=O)[O-] ZINC000128763826 568296040 /nfs/dbraw/zinc/29/60/40/568296040.db2.gz RCIZNFHNTOPGHG-IBGZPJMESA-N 1 2 360.385 3.624 20 5 FHBDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1[N+](=O)[O-] ZINC000128763826 568296041 /nfs/dbraw/zinc/29/60/41/568296041.db2.gz RCIZNFHNTOPGHG-IBGZPJMESA-N 1 2 360.385 3.624 20 5 FHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000032499435 568393462 /nfs/dbraw/zinc/39/34/62/568393462.db2.gz QOQMMHACOIGEFK-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569392272 568400334 /nfs/dbraw/zinc/40/03/34/568400334.db2.gz BYKQNTYMOBHLMU-LBPRGKRZSA-N 1 2 368.368 3.903 20 5 FHBDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569392272 568400335 /nfs/dbraw/zinc/40/03/35/568400335.db2.gz BYKQNTYMOBHLMU-LBPRGKRZSA-N 1 2 368.368 3.903 20 5 FHBDLO Cc1[nH+]c2cc(CNC(=O)c3c(C)cccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000569741373 568417006 /nfs/dbraw/zinc/41/70/06/568417006.db2.gz MFSBNMCVWWBYQT-UHFFFAOYSA-N 1 2 364.405 3.826 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000033242884 568471442 /nfs/dbraw/zinc/47/14/42/568471442.db2.gz VRRDEGCYBWLNSW-KRWDZBQOSA-N 1 2 362.389 3.758 20 5 FHBDLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC000609182558 929038472 /nfs/dbraw/zinc/03/84/72/929038472.db2.gz AMRRXFSPTIVLOY-OAHLLOKOSA-N 1 2 369.421 3.549 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]1c1cccc(F)c1 ZINC000610304919 929779108 /nfs/dbraw/zinc/77/91/08/929779108.db2.gz ZZKDJVLYSYCOEN-INIZCTEOSA-N 1 2 366.352 3.507 20 5 FHBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ncn(C)n1 ZINC000275671813 929820718 /nfs/dbraw/zinc/82/07/18/929820718.db2.gz HHYOACDLTTUROR-NWDGAFQWSA-N 1 2 357.439 3.864 20 5 FHBDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000275671806 929821011 /nfs/dbraw/zinc/82/10/11/929821011.db2.gz HHYOACDLTTUROR-NEPJUHHUSA-N 1 2 357.439 3.864 20 5 FHBDLO COc1ccccc1C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000053238173 930036378 /nfs/dbraw/zinc/03/63/78/930036378.db2.gz JXWCNNNKFXXVNP-UHFFFAOYSA-N 1 2 369.421 3.515 20 5 FHBDLO COc1ccccc1C[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000053238173 930036385 /nfs/dbraw/zinc/03/63/85/930036385.db2.gz JXWCNNNKFXXVNP-UHFFFAOYSA-N 1 2 369.421 3.515 20 5 FHBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000536008463 937398632 /nfs/dbraw/zinc/39/86/32/937398632.db2.gz SRQDUINCQOJWAW-UHFFFAOYSA-N 1 2 353.353 3.947 20 5 FHBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000536008463 937398635 /nfs/dbraw/zinc/39/86/35/937398635.db2.gz SRQDUINCQOJWAW-UHFFFAOYSA-N 1 2 353.353 3.947 20 5 FHBDLO CCOc1ccc(C2=CC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 ZINC000160663970 931270820 /nfs/dbraw/zinc/27/08/20/931270820.db2.gz FXPZVULIEKOSEN-UHFFFAOYSA-N 1 2 356.426 3.554 20 5 FHBDLO CCOc1ccc(C2=CC[N@@H+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1 ZINC000160663970 931270826 /nfs/dbraw/zinc/27/08/26/931270826.db2.gz FXPZVULIEKOSEN-UHFFFAOYSA-N 1 2 356.426 3.554 20 5 FHBDLO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000126190607 931560089 /nfs/dbraw/zinc/56/00/89/931560089.db2.gz ZBSQIJVZYJTEEM-KSSFIOAISA-N 1 2 370.453 3.812 20 5 FHBDLO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)no1 ZINC000157950486 932683913 /nfs/dbraw/zinc/68/39/13/932683913.db2.gz HKBDNKMBDLDQFX-UHFFFAOYSA-N 1 2 370.331 3.685 20 5 FHBDLO CC[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610756133 934105622 /nfs/dbraw/zinc/10/56/22/934105622.db2.gz YKMHNKUTMVEYAL-JKSUJKDBSA-N 1 2 361.467 3.748 20 5 FHBDLO CC[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610756133 934105626 /nfs/dbraw/zinc/10/56/26/934105626.db2.gz YKMHNKUTMVEYAL-JKSUJKDBSA-N 1 2 361.467 3.748 20 5 FHBDLO CC(C)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC001167497379 934586653 /nfs/dbraw/zinc/58/66/53/934586653.db2.gz XHXVAPOXIRBDGO-AWEZNQCLSA-N 1 2 359.289 3.931 20 5 FHBDLO CC(C)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC001167497379 934586657 /nfs/dbraw/zinc/58/66/57/934586657.db2.gz XHXVAPOXIRBDGO-AWEZNQCLSA-N 1 2 359.289 3.931 20 5 FHBDLO COc1ccc(C(=O)C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000051380190 935139321 /nfs/dbraw/zinc/13/93/21/935139321.db2.gz PZYZPLWQLGFXJI-UHFFFAOYSA-N 1 2 372.396 3.837 20 5 FHBDLO Cc1ccccc1Cc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000511087942 935364483 /nfs/dbraw/zinc/36/44/83/935364483.db2.gz DCSAFYMSPAKPEQ-UHFFFAOYSA-N 1 2 366.421 3.552 20 5 FHBDLO Cc1ccccc1Cc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000511087942 935364488 /nfs/dbraw/zinc/36/44/88/935364488.db2.gz DCSAFYMSPAKPEQ-UHFFFAOYSA-N 1 2 366.421 3.552 20 5 FHBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@](=O)C1 ZINC000277578187 935633670 /nfs/dbraw/zinc/63/36/70/935633670.db2.gz TVRZYRSUDFKFLR-YEBMWUKDSA-N 1 2 364.492 3.524 20 5 FHBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@](=O)C1 ZINC000277578187 935633672 /nfs/dbraw/zinc/63/36/72/935633672.db2.gz TVRZYRSUDFKFLR-YEBMWUKDSA-N 1 2 364.492 3.524 20 5 FHBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000588529836 935850562 /nfs/dbraw/zinc/85/05/62/935850562.db2.gz FVWYQOAOWPAURA-XQRVVYSFSA-N 1 2 374.387 3.870 20 5 FHBDLO COC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000548751569 935936432 /nfs/dbraw/zinc/93/64/32/935936432.db2.gz PEMCWJJFXGHGBO-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO COC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000548751569 935936435 /nfs/dbraw/zinc/93/64/35/935936435.db2.gz PEMCWJJFXGHGBO-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406832 945157768 /nfs/dbraw/zinc/15/77/68/945157768.db2.gz FZXBFZXVIUGYJL-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000047406832 945157772 /nfs/dbraw/zinc/15/77/72/945157772.db2.gz FZXBFZXVIUGYJL-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO COc1cc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000582067002 940645484 /nfs/dbraw/zinc/64/54/84/940645484.db2.gz AUHLQICSNGDTKC-UHFFFAOYSA-N 1 2 354.765 3.694 20 5 FHBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000170893231 940884612 /nfs/dbraw/zinc/88/46/12/940884612.db2.gz WDLHBZBADLCHLL-CQSZACIVSA-N 1 2 372.400 3.645 20 5 FHBDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000541006651 941098693 /nfs/dbraw/zinc/09/86/93/941098693.db2.gz QZXPPNGJBSFEFQ-UHFFFAOYSA-N 1 2 369.469 3.745 20 5 FHBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549107426 941294277 /nfs/dbraw/zinc/29/42/77/941294277.db2.gz LXTYVFPHXAKJRX-UHFFFAOYSA-N 1 2 366.343 3.644 20 5 FHBDLO CC(C)[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000430014164 941800462 /nfs/dbraw/zinc/80/04/62/941800462.db2.gz UFCNNUTYGAELIM-UHFFFAOYSA-N 1 2 365.437 3.645 20 5 FHBDLO CC(C)[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000430014164 941800465 /nfs/dbraw/zinc/80/04/65/941800465.db2.gz UFCNNUTYGAELIM-UHFFFAOYSA-N 1 2 365.437 3.645 20 5 FHBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000182537275 941931320 /nfs/dbraw/zinc/93/13/20/941931320.db2.gz FHOFRCBAWBGMKU-NSHDSACASA-N 1 2 354.366 3.545 20 5 FHBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(C)[nH+]1 ZINC000182509366 941936752 /nfs/dbraw/zinc/93/67/52/941936752.db2.gz HDAVVTJBMHMOSF-UHFFFAOYSA-N 1 2 351.309 3.769 20 5 FHBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000102774588 942097966 /nfs/dbraw/zinc/09/79/66/942097966.db2.gz FUTZNPAJKJPQKW-UHFFFAOYSA-N 1 2 353.831 3.689 20 5 FHBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000102774588 942097971 /nfs/dbraw/zinc/09/79/71/942097971.db2.gz FUTZNPAJKJPQKW-UHFFFAOYSA-N 1 2 353.831 3.689 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949642 942271481 /nfs/dbraw/zinc/27/14/81/942271481.db2.gz OWZPVLOTZLHUJE-RYUDHWBXSA-N 1 2 359.348 3.586 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949642 942271486 /nfs/dbraw/zinc/27/14/86/942271486.db2.gz OWZPVLOTZLHUJE-RYUDHWBXSA-N 1 2 359.348 3.586 20 5 FHBDLO COc1ccc(CN2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000505274969 942440698 /nfs/dbraw/zinc/44/06/98/942440698.db2.gz WRPIMFBZBIQHBX-UHFFFAOYSA-N 1 2 369.465 3.620 20 5 FHBDLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000505274969 942440704 /nfs/dbraw/zinc/44/07/04/942440704.db2.gz WRPIMFBZBIQHBX-UHFFFAOYSA-N 1 2 369.465 3.620 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1Oc1ccc(F)cc1 ZINC000421398015 942548675 /nfs/dbraw/zinc/54/86/75/942548675.db2.gz NCNBBAGBJGVBLU-IBGZPJMESA-N 1 2 358.369 3.891 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1Oc1ccc(F)cc1 ZINC000421398015 942548680 /nfs/dbraw/zinc/54/86/80/942548680.db2.gz NCNBBAGBJGVBLU-IBGZPJMESA-N 1 2 358.369 3.891 20 5 FHBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000421578748 942669028 /nfs/dbraw/zinc/66/90/28/942669028.db2.gz RSTQHQCBTZQQRK-UHFFFAOYSA-N 1 2 353.300 3.555 20 5 FHBDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000502893363 942822171 /nfs/dbraw/zinc/82/21/71/942822171.db2.gz PSFVXADRKPFARQ-FQEVSTJZSA-N 1 2 372.396 3.840 20 5 FHBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000502893363 942822174 /nfs/dbraw/zinc/82/21/74/942822174.db2.gz PSFVXADRKPFARQ-FQEVSTJZSA-N 1 2 372.396 3.840 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190175752 942854061 /nfs/dbraw/zinc/85/40/61/942854061.db2.gz LNMLRBJIGREIJD-AWEZNQCLSA-N 1 2 373.375 3.752 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190175752 942854066 /nfs/dbraw/zinc/85/40/66/942854066.db2.gz LNMLRBJIGREIJD-AWEZNQCLSA-N 1 2 373.375 3.752 20 5 FHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000504927777 943924917 /nfs/dbraw/zinc/92/49/17/943924917.db2.gz UKWQNBPICMPRRO-LLVKDONJSA-N 1 2 372.347 3.603 20 5 FHBDLO C[C@@]12CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000425443358 943932285 /nfs/dbraw/zinc/93/22/85/943932285.db2.gz JXHHOOYQKQPAIA-QWHCGFSZSA-N 1 2 361.186 3.834 20 5 FHBDLO C[C@@]12CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000425443358 943932293 /nfs/dbraw/zinc/93/22/93/943932293.db2.gz JXHHOOYQKQPAIA-QWHCGFSZSA-N 1 2 361.186 3.834 20 5 FHBDLO CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000505777579 944139724 /nfs/dbraw/zinc/13/97/24/944139724.db2.gz PVYRFWJYLWNACL-AWEZNQCLSA-N 1 2 360.385 3.786 20 5 FHBDLO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000505777579 944139726 /nfs/dbraw/zinc/13/97/26/944139726.db2.gz PVYRFWJYLWNACL-AWEZNQCLSA-N 1 2 360.385 3.786 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000436423829 944296526 /nfs/dbraw/zinc/29/65/26/944296526.db2.gz AWKXFHNJLKFFNQ-FZKQIMNGSA-N 1 2 357.385 3.532 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000436423829 944296529 /nfs/dbraw/zinc/29/65/29/944296529.db2.gz AWKXFHNJLKFFNQ-FZKQIMNGSA-N 1 2 357.385 3.532 20 5 FHBDLO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000425551080 944319042 /nfs/dbraw/zinc/31/90/42/944319042.db2.gz OGEUFRYUNDVXTC-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000425551080 944319046 /nfs/dbraw/zinc/31/90/46/944319046.db2.gz OGEUFRYUNDVXTC-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO Cc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000543245190 944335144 /nfs/dbraw/zinc/33/51/44/944335144.db2.gz DIWLRDVAHSLYPG-OAHLLOKOSA-N 1 2 373.840 3.985 20 5 FHBDLO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)cc1 ZINC000543245190 944335150 /nfs/dbraw/zinc/33/51/50/944335150.db2.gz DIWLRDVAHSLYPG-OAHLLOKOSA-N 1 2 373.840 3.985 20 5 FHBDLO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112089488 944481053 /nfs/dbraw/zinc/48/10/53/944481053.db2.gz AVNHZQQONURNNA-CYBMUJFWSA-N 1 2 371.890 3.794 20 5 FHBDLO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112089488 944481056 /nfs/dbraw/zinc/48/10/56/944481056.db2.gz AVNHZQQONURNNA-CYBMUJFWSA-N 1 2 371.890 3.794 20 5 FHBDLO O=[N+]([O-])c1cc2cnn(Cc3c[nH+]cn3Cc3ccccc3)c2c(Cl)c1 ZINC000438300721 944485306 /nfs/dbraw/zinc/48/53/06/944485306.db2.gz FACYFCKMMUEFMA-UHFFFAOYSA-N 1 2 367.796 3.891 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1OC(F)F ZINC000054174659 944947178 /nfs/dbraw/zinc/94/71/78/944947178.db2.gz MJLCGVXXRGHGFP-UHFFFAOYSA-N 1 2 358.366 3.898 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1OC(F)F ZINC000054174659 944947183 /nfs/dbraw/zinc/94/71/83/944947183.db2.gz MJLCGVXXRGHGFP-UHFFFAOYSA-N 1 2 358.366 3.898 20 5 FHBDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507670825 945423911 /nfs/dbraw/zinc/42/39/11/945423911.db2.gz BJGILJUCNPOLDC-AWEZNQCLSA-N 1 2 361.392 3.752 20 5 FHBDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000280894603 945453368 /nfs/dbraw/zinc/45/33/68/945453368.db2.gz FHIIFXDUZSKBGO-BXUZGUMPSA-N 1 2 370.327 3.878 20 5 FHBDLO Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000107178532 945511140 /nfs/dbraw/zinc/51/11/40/945511140.db2.gz BRAWWAUPBOZKOO-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000519739726 945704569 /nfs/dbraw/zinc/70/45/69/945704569.db2.gz AJTUEENXNWKGBB-LBPRGKRZSA-N 1 2 354.341 3.662 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000444154673 945996935 /nfs/dbraw/zinc/99/69/35/945996935.db2.gz DYBSYCFTLQCIQY-HNAYVOBHSA-N 1 2 353.422 3.783 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000444154673 945996945 /nfs/dbraw/zinc/99/69/45/945996945.db2.gz DYBSYCFTLQCIQY-HNAYVOBHSA-N 1 2 353.422 3.783 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121244653 946178877 /nfs/dbraw/zinc/17/88/77/946178877.db2.gz NPXUTJYQQQNTQU-MRXNPFEDSA-N 1 2 373.409 3.752 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121244653 946178883 /nfs/dbraw/zinc/17/88/83/946178883.db2.gz NPXUTJYQQQNTQU-MRXNPFEDSA-N 1 2 373.409 3.752 20 5 FHBDLO COc1cc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1F ZINC000186579565 946574796 /nfs/dbraw/zinc/57/47/96/946574796.db2.gz LJDZNETVBTVYHQ-UHFFFAOYSA-N 1 2 372.400 3.654 20 5 FHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000025916493 946843557 /nfs/dbraw/zinc/84/35/57/946843557.db2.gz YFHQEIKHOUDWRQ-UHFFFAOYSA-N 1 2 363.364 3.518 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000428372264 947063553 /nfs/dbraw/zinc/06/35/53/947063553.db2.gz KYQDKVBSFWPTOT-HNNXBMFYSA-N 1 2 356.369 3.587 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000428372264 947063561 /nfs/dbraw/zinc/06/35/61/947063561.db2.gz KYQDKVBSFWPTOT-HNNXBMFYSA-N 1 2 356.369 3.587 20 5 FHBDLO Cc1cc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1F ZINC000444732344 947147883 /nfs/dbraw/zinc/14/78/83/947147883.db2.gz KKKMIVDJMISVIC-UHFFFAOYSA-N 1 2 356.357 3.724 20 5 FHBDLO Cc1cc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1F ZINC000444732344 947147893 /nfs/dbraw/zinc/14/78/93/947147893.db2.gz KKKMIVDJMISVIC-UHFFFAOYSA-N 1 2 356.357 3.724 20 5 FHBDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049974349 947179234 /nfs/dbraw/zinc/17/92/34/947179234.db2.gz JHCZQPZJDCFABY-KUHUBIRLSA-N 1 2 365.389 3.894 20 5 FHBDLO C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000126191013 947410014 /nfs/dbraw/zinc/41/00/14/947410014.db2.gz ZBSQIJVZYJTEEM-KBXCAEBGSA-N 1 2 370.453 3.812 20 5 FHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122481 948591458 /nfs/dbraw/zinc/59/14/58/948591458.db2.gz GXKJADWMDLMPHW-UHFFFAOYSA-N 1 2 373.840 3.596 20 5 FHBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000054122481 948591470 /nfs/dbraw/zinc/59/14/70/948591470.db2.gz GXKJADWMDLMPHW-UHFFFAOYSA-N 1 2 373.840 3.596 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536488137 948737904 /nfs/dbraw/zinc/73/79/04/948737904.db2.gz MBTIRJKRROIEFE-NSHDSACASA-N 1 2 365.792 3.846 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536488137 948737912 /nfs/dbraw/zinc/73/79/12/948737912.db2.gz MBTIRJKRROIEFE-NSHDSACASA-N 1 2 365.792 3.846 20 5 FHBDLO CCOc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000097040320 209168911 /nfs/dbraw/zinc/16/89/11/209168911.db2.gz SPBMHOKZTNPJCU-UHFFFAOYSA-N 1 2 359.382 3.575 20 5 FHBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000290937366 567868267 /nfs/dbraw/zinc/86/82/67/567868267.db2.gz SSINHCKAKNUJCC-UHFFFAOYSA-N 1 2 370.240 3.509 20 5 FHBDLO CCCc1nc(C)c(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)o1 ZINC000602671799 568008040 /nfs/dbraw/zinc/00/80/40/568008040.db2.gz IZPZIZGPMVMHGG-UHFFFAOYSA-N 1 2 374.260 3.958 20 5 FHBDLO O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000568338200 568026293 /nfs/dbraw/zinc/02/62/93/568026293.db2.gz WCIVBMPPZFKAQT-QGZVFWFLSA-N 1 2 372.446 3.503 20 5 FHBDLO O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000568338200 568026294 /nfs/dbraw/zinc/02/62/94/568026294.db2.gz WCIVBMPPZFKAQT-QGZVFWFLSA-N 1 2 372.446 3.503 20 5 FHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc2ncccc21 ZINC000128680424 568153648 /nfs/dbraw/zinc/15/36/48/568153648.db2.gz RNNDZVMHYNBKNE-UHFFFAOYSA-N 1 2 373.372 3.605 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000541952791 568272690 /nfs/dbraw/zinc/27/26/90/568272690.db2.gz UANVYMOOIMNJHI-ZIAGYGMSSA-N 1 2 369.421 3.550 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000541952791 568272692 /nfs/dbraw/zinc/27/26/92/568272692.db2.gz UANVYMOOIMNJHI-ZIAGYGMSSA-N 1 2 369.421 3.550 20 5 FHBDLO CCc1nn(C)c(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000569217567 568313332 /nfs/dbraw/zinc/31/33/32/568313332.db2.gz QULOYSIBPLWFMB-QWHCGFSZSA-N 1 2 368.441 3.905 20 5 FHBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000032483802 568393029 /nfs/dbraw/zinc/39/30/29/568393029.db2.gz XJKLCMBPFHDYFF-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F ZINC000182018373 568462415 /nfs/dbraw/zinc/46/24/15/568462415.db2.gz QIZZWJZGMNZFJI-NSHDSACASA-N 1 2 372.356 3.643 20 5 FHBDLO CC1(C)C[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000725263760 570538168 /nfs/dbraw/zinc/53/81/68/570538168.db2.gz GALLHBKHAXSIPP-UHFFFAOYSA-N 1 2 357.248 3.747 20 5 FHBDLO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)C1 ZINC000506709268 945064894 /nfs/dbraw/zinc/06/48/94/945064894.db2.gz XNNHYEGSFDPOAU-AWEZNQCLSA-N 1 2 369.421 3.785 20 5 FHBDLO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)C1 ZINC000506709268 945064900 /nfs/dbraw/zinc/06/49/00/945064900.db2.gz XNNHYEGSFDPOAU-AWEZNQCLSA-N 1 2 369.421 3.785 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000430200759 927957072 /nfs/dbraw/zinc/95/70/72/927957072.db2.gz HQQYBVMDWILLLT-UHFFFAOYSA-N 1 2 372.265 3.920 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000430200759 927957077 /nfs/dbraw/zinc/95/70/77/927957077.db2.gz HQQYBVMDWILLLT-UHFFFAOYSA-N 1 2 372.265 3.920 20 5 FHBDLO COc1ccc(OC)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C2CC2)c1 ZINC000430215666 928186983 /nfs/dbraw/zinc/18/69/83/928186983.db2.gz FKMSTLGWZRFNKJ-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO COc1ccc(OC)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C2CC2)c1 ZINC000430215666 928186988 /nfs/dbraw/zinc/18/69/88/928186988.db2.gz FKMSTLGWZRFNKJ-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000430221812 928283920 /nfs/dbraw/zinc/28/39/20/928283920.db2.gz UGGZXFDERZBUBB-MGPUTAFESA-N 1 2 356.422 3.874 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000430221812 928283931 /nfs/dbraw/zinc/28/39/31/928283931.db2.gz UGGZXFDERZBUBB-MGPUTAFESA-N 1 2 356.422 3.874 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000610304920 929779391 /nfs/dbraw/zinc/77/93/91/929779391.db2.gz ZZKDJVLYSYCOEN-MRXNPFEDSA-N 1 2 366.352 3.507 20 5 FHBDLO C[NH+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC001125407118 930045497 /nfs/dbraw/zinc/04/54/97/930045497.db2.gz UCYFDLJTUDAFDH-HNNXBMFYSA-N 1 2 351.765 3.629 20 5 FHBDLO CC(C)Oc1ccc([C@@H](CNCc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000583403950 937412128 /nfs/dbraw/zinc/41/21/28/937412128.db2.gz ZCJLMZKJZSOGMH-HXUWFJFHSA-N 1 2 357.454 3.775 20 5 FHBDLO Cc1oc2nc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)nc(N)c2c1C ZINC000178007666 932068092 /nfs/dbraw/zinc/06/80/92/932068092.db2.gz MBSOJGNEZYYNDB-UHFFFAOYSA-N 1 2 369.425 3.741 20 5 FHBDLO Cc1oc2nc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C(C)C)nc(N)c2c1C ZINC000178007666 932068099 /nfs/dbraw/zinc/06/80/99/932068099.db2.gz MBSOJGNEZYYNDB-UHFFFAOYSA-N 1 2 369.425 3.741 20 5 FHBDLO COc1cc(CNc2cccc[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000157421091 932524333 /nfs/dbraw/zinc/52/43/33/932524333.db2.gz MLXAGYLUZKKOLE-UHFFFAOYSA-N 1 2 357.288 3.552 20 5 FHBDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630931 932612523 /nfs/dbraw/zinc/61/25/23/932612523.db2.gz OQLUXANVNLSTAZ-DGCLKSJQSA-N 1 2 355.460 3.534 20 5 FHBDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630931 932612527 /nfs/dbraw/zinc/61/25/27/932612527.db2.gz OQLUXANVNLSTAZ-DGCLKSJQSA-N 1 2 355.460 3.534 20 5 FHBDLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)cccc1[N+](=O)[O-] ZINC000548349966 933066545 /nfs/dbraw/zinc/06/65/45/933066545.db2.gz FVXUOVDEUPHLNO-LJQANCHMSA-N 1 2 354.454 3.853 20 5 FHBDLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)cccc1[N+](=O)[O-] ZINC000548349966 933066551 /nfs/dbraw/zinc/06/65/51/933066551.db2.gz FVXUOVDEUPHLNO-LJQANCHMSA-N 1 2 354.454 3.853 20 5 FHBDLO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000277439384 935175417 /nfs/dbraw/zinc/17/54/17/935175417.db2.gz JEJLOLYFMRRDDY-RKNYENMMSA-N 1 2 364.492 3.666 20 5 FHBDLO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@]1=O ZINC000277439384 935175420 /nfs/dbraw/zinc/17/54/20/935175420.db2.gz JEJLOLYFMRRDDY-RKNYENMMSA-N 1 2 364.492 3.666 20 5 FHBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071763 935234563 /nfs/dbraw/zinc/23/45/63/935234563.db2.gz HJHSESBCLZGXHL-HNNXBMFYSA-N 1 2 366.421 3.804 20 5 FHBDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071763 935234566 /nfs/dbraw/zinc/23/45/66/935234566.db2.gz HJHSESBCLZGXHL-HNNXBMFYSA-N 1 2 366.421 3.804 20 5 FHBDLO O=[N+]([O-])c1ccc([C@@H](NCc2cn3c([nH+]2)CCCC3)C(F)(F)F)cc1 ZINC000563263674 935329106 /nfs/dbraw/zinc/32/91/06/935329106.db2.gz IUVNYFMCKYILBQ-OAHLLOKOSA-N 1 2 354.332 3.521 20 5 FHBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000472336821 938994682 /nfs/dbraw/zinc/99/46/82/938994682.db2.gz OCBJDELNGCUIPC-DJJJIMSYSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000472336821 938994683 /nfs/dbraw/zinc/99/46/83/938994683.db2.gz OCBJDELNGCUIPC-DJJJIMSYSA-N 1 2 357.385 3.756 20 5 FHBDLO CCCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000179613338 939895598 /nfs/dbraw/zinc/89/55/98/939895598.db2.gz WXXGEZJJKCVVIX-INIZCTEOSA-N 1 2 368.499 3.507 20 5 FHBDLO CCCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000179613338 939895601 /nfs/dbraw/zinc/89/56/01/939895601.db2.gz WXXGEZJJKCVVIX-INIZCTEOSA-N 1 2 368.499 3.507 20 5 FHBDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128486925 945287126 /nfs/dbraw/zinc/28/71/26/945287126.db2.gz BAGIKDOVUZGRBY-SNVBAGLBSA-N 1 2 351.790 3.609 20 5 FHBDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128486925 945287133 /nfs/dbraw/zinc/28/71/33/945287133.db2.gz BAGIKDOVUZGRBY-SNVBAGLBSA-N 1 2 351.790 3.609 20 5 FHBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000181432537 941237626 /nfs/dbraw/zinc/23/76/26/941237626.db2.gz BNHHIKKASFQPIO-ZDUSSCGKSA-N 1 2 357.385 3.712 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](CF)C3)o2)c(Cl)c1 ZINC000414472600 941295823 /nfs/dbraw/zinc/29/58/23/941295823.db2.gz SSRXMTHDNSYDFE-ZDUSSCGKSA-N 1 2 354.765 3.679 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CF)C3)o2)c(Cl)c1 ZINC000414472600 941295826 /nfs/dbraw/zinc/29/58/26/941295826.db2.gz SSRXMTHDNSYDFE-ZDUSSCGKSA-N 1 2 354.765 3.679 20 5 FHBDLO Cc1cccc(NC[C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000119198622 941873360 /nfs/dbraw/zinc/87/33/60/941873360.db2.gz QEUZSHBBGPBTQI-AWEZNQCLSA-N 1 2 360.845 3.886 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2ccc3cc([N+](=O)[O-])ccc3n2)c1C ZINC000433770024 941876254 /nfs/dbraw/zinc/87/62/54/941876254.db2.gz AJQRAYGOMDDZFD-UHFFFAOYSA-N 1 2 352.394 3.800 20 5 FHBDLO Cc1nc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000182616348 941947609 /nfs/dbraw/zinc/94/76/09/941947609.db2.gz GFVOILKVDIXALB-AWEZNQCLSA-N 1 2 360.483 3.547 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420938455 942264734 /nfs/dbraw/zinc/26/47/34/942264734.db2.gz AUQMKTKCVNEDAF-LBPRGKRZSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420938455 942264738 /nfs/dbraw/zinc/26/47/38/942264738.db2.gz AUQMKTKCVNEDAF-LBPRGKRZSA-N 1 2 359.348 3.506 20 5 FHBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc([N+](=O)[O-])c3ncccc13)C2 ZINC000413126094 942323832 /nfs/dbraw/zinc/32/38/32/942323832.db2.gz JRLHDWPBRLQRGZ-UHFFFAOYSA-N 1 2 351.410 3.563 20 5 FHBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)no1 ZINC000366455662 942350145 /nfs/dbraw/zinc/35/01/45/942350145.db2.gz YZQHZFGCUKBDBD-GFCCVEGCSA-N 1 2 370.331 3.685 20 5 FHBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)no1 ZINC000366455662 942350151 /nfs/dbraw/zinc/35/01/51/942350151.db2.gz YZQHZFGCUKBDBD-GFCCVEGCSA-N 1 2 370.331 3.685 20 5 FHBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000378248609 942455157 /nfs/dbraw/zinc/45/51/57/942455157.db2.gz NNYLFOURLXIGMY-GFCCVEGCSA-N 1 2 354.332 3.716 20 5 FHBDLO O=[N+]([O-])c1cc(CNc2cc(NC3CC3)[nH+]cn2)cc(C(F)(F)F)c1 ZINC000413262474 942574293 /nfs/dbraw/zinc/57/42/93/942574293.db2.gz HHZKTIDWHYIPQZ-UHFFFAOYSA-N 1 2 353.304 3.590 20 5 FHBDLO O=[N+]([O-])c1cc(CNc2cc(NC3CC3)nc[nH+]2)cc(C(F)(F)F)c1 ZINC000413262474 942574299 /nfs/dbraw/zinc/57/42/99/942574299.db2.gz HHZKTIDWHYIPQZ-UHFFFAOYSA-N 1 2 353.304 3.590 20 5 FHBDLO Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc(C)[nH+]1 ZINC000421578743 942668786 /nfs/dbraw/zinc/66/87/86/942668786.db2.gz RSKUKKARNKMOPC-UHFFFAOYSA-N 1 2 353.300 3.555 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496372 942722724 /nfs/dbraw/zinc/72/27/24/942722724.db2.gz HTYLCVBOCJMGJT-OAHLLOKOSA-N 1 2 371.412 3.883 20 5 FHBDLO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806425 942760061 /nfs/dbraw/zinc/76/00/61/942760061.db2.gz YPDUQJJCWMZZFT-SCLBCKFNSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806425 942760065 /nfs/dbraw/zinc/76/00/65/942760065.db2.gz YPDUQJJCWMZZFT-SCLBCKFNSA-N 1 2 362.813 3.565 20 5 FHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000016738724 943101083 /nfs/dbraw/zinc/10/10/83/943101083.db2.gz JMFYIOXMPNYVQC-UHFFFAOYSA-N 1 2 355.316 3.529 20 5 FHBDLO CC(C)COC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425400236 943556468 /nfs/dbraw/zinc/55/64/68/943556468.db2.gz CRKIOUPRYJWCMV-UHFFFAOYSA-N 1 2 371.275 3.994 20 5 FHBDLO CC(=O)c1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000566520431 943934895 /nfs/dbraw/zinc/93/48/95/943934895.db2.gz SNKSQDREDXUMTK-UHFFFAOYSA-N 1 2 356.426 3.691 20 5 FHBDLO O=[N+]([O-])c1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000541534782 944259996 /nfs/dbraw/zinc/25/99/96/944259996.db2.gz DOLHWRGFQZAXPI-UHFFFAOYSA-N 1 2 361.829 3.693 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1F ZINC000184224867 944287435 /nfs/dbraw/zinc/28/74/35/944287435.db2.gz XIWHPUDNLVUIAM-UHFFFAOYSA-N 1 2 370.327 3.976 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1F ZINC000184224867 944287441 /nfs/dbraw/zinc/28/74/41/944287441.db2.gz XIWHPUDNLVUIAM-UHFFFAOYSA-N 1 2 370.327 3.976 20 5 FHBDLO CC(C)c1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000473588451 944555661 /nfs/dbraw/zinc/55/56/61/944555661.db2.gz BXKQJATWBRLOQK-UHFFFAOYSA-N 1 2 364.405 3.834 20 5 FHBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000032512440 944687055 /nfs/dbraw/zinc/68/70/55/944687055.db2.gz CAJFPOKCCJTSAN-UHFFFAOYSA-N 1 2 353.831 3.770 20 5 FHBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000032512440 944687058 /nfs/dbraw/zinc/68/70/58/944687058.db2.gz CAJFPOKCCJTSAN-UHFFFAOYSA-N 1 2 353.831 3.770 20 5 FHBDLO CC(C)c1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000519030192 945044349 /nfs/dbraw/zinc/04/43/49/945044349.db2.gz BTGOOPOKKJYUCX-INIZCTEOSA-N 1 2 360.414 3.550 20 5 FHBDLO CC(C)c1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000519030192 945044354 /nfs/dbraw/zinc/04/43/54/945044354.db2.gz BTGOOPOKKJYUCX-INIZCTEOSA-N 1 2 360.414 3.550 20 5 FHBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939196 946300131 /nfs/dbraw/zinc/30/01/31/946300131.db2.gz PWDSTEVPUQDTJX-JTQLQIEISA-N 1 2 353.831 3.769 20 5 FHBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939196 946300144 /nfs/dbraw/zinc/30/01/44/946300144.db2.gz PWDSTEVPUQDTJX-JTQLQIEISA-N 1 2 353.831 3.769 20 5 FHBDLO O=C(Nc1cccc(F)c1Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001271700288 946321591 /nfs/dbraw/zinc/32/15/91/946321591.db2.gz KGUKSYVXLFAYQR-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO O=C(Nc1ccc(OC(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000015993231 946689854 /nfs/dbraw/zinc/68/98/54/946689854.db2.gz UIHJKXKDGQGIAN-UHFFFAOYSA-N 1 2 374.303 3.634 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](Oc4cccc(Cl)c4)C3)nc2c1 ZINC000444657998 947075874 /nfs/dbraw/zinc/07/58/74/947075874.db2.gz AJIHFGMICMFSQG-HNNXBMFYSA-N 1 2 372.812 3.778 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](Oc4cccc(Cl)c4)C3)nc2c1 ZINC000444657998 947075880 /nfs/dbraw/zinc/07/58/80/947075880.db2.gz AJIHFGMICMFSQG-HNNXBMFYSA-N 1 2 372.812 3.778 20 5 FHBDLO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000456284041 947145268 /nfs/dbraw/zinc/14/52/68/947145268.db2.gz IOVHOIAGYDFNRR-MAUKXSAKSA-N 1 2 356.426 3.533 20 5 FHBDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049974185 947179381 /nfs/dbraw/zinc/17/93/81/947179381.db2.gz IADOAGCYFBJMHG-LIRRHRJNSA-N 1 2 365.389 3.894 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)c3cccc(F)c3)cs2)c1 ZINC000523840047 947660884 /nfs/dbraw/zinc/66/08/84/947660884.db2.gz OUMJUMGAFHOJPL-QGZVFWFLSA-N 1 2 373.409 3.681 20 5 FHBDLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481741343 568099863 /nfs/dbraw/zinc/09/98/63/568099863.db2.gz JUMHGHSOVHGHOI-UHFFFAOYSA-N 1 2 371.824 3.734 20 5 FHBDLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481741343 568099864 /nfs/dbraw/zinc/09/98/64/568099864.db2.gz JUMHGHSOVHGHOI-UHFFFAOYSA-N 1 2 371.824 3.734 20 5 FHBDLO C[N@H+](Cc1ccc(Cl)s1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051679470 568163675 /nfs/dbraw/zinc/16/36/75/568163675.db2.gz CABJAVICLXDOOC-UHFFFAOYSA-N 1 2 364.814 3.992 20 5 FHBDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000051679470 568163676 /nfs/dbraw/zinc/16/36/76/568163676.db2.gz CABJAVICLXDOOC-UHFFFAOYSA-N 1 2 364.814 3.992 20 5 FHBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000008120238 568189329 /nfs/dbraw/zinc/18/93/29/568189329.db2.gz GBDVYLCKMGLTDT-UHFFFAOYSA-N 1 2 368.220 3.972 20 5 FHBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000008120238 568189330 /nfs/dbraw/zinc/18/93/30/568189330.db2.gz GBDVYLCKMGLTDT-UHFFFAOYSA-N 1 2 368.220 3.972 20 5 FHBDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000568895617 568246279 /nfs/dbraw/zinc/24/62/79/568246279.db2.gz KGRZNNXOOOYTLB-ZDUSSCGKSA-N 1 2 367.409 3.905 20 5 FHBDLO O=C(Nc1cccc(Cl)c1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032046482 568345425 /nfs/dbraw/zinc/34/54/25/568345425.db2.gz GDRGXQCKBNPGFM-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO Cc1cccnc1OC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000570143588 568454411 /nfs/dbraw/zinc/45/44/11/568454411.db2.gz PMZVKRGXWIQLLO-UHFFFAOYSA-N 1 2 364.405 3.894 20 5 FHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000570577998 568487703 /nfs/dbraw/zinc/48/77/03/568487703.db2.gz GGRFRCBPGSCVGR-HDJSIYSDSA-N 1 2 355.398 3.535 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000064029320 927789368 /nfs/dbraw/zinc/78/93/68/927789368.db2.gz QTKKIYHBXGLMBT-UHFFFAOYSA-N 1 2 371.384 3.997 20 5 FHBDLO CCc1ccc(C[NH+]2CCN(c3cc([N+](=O)[O-])ccc3C(C)=O)CC2)s1 ZINC000581628990 932343693 /nfs/dbraw/zinc/34/36/93/932343693.db2.gz ZDEGUWAYPYAUBK-UHFFFAOYSA-N 1 2 373.478 3.744 20 5 FHBDLO CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178110107 932514215 /nfs/dbraw/zinc/51/42/15/932514215.db2.gz WTNACHJGKXAPDK-GDBMZVCRSA-N 1 2 356.426 3.821 20 5 FHBDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610944767 932980071 /nfs/dbraw/zinc/98/00/71/932980071.db2.gz YSDNIPRRHIMKKK-KRWDZBQOSA-N 1 2 369.421 3.769 20 5 FHBDLO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610944767 932980078 /nfs/dbraw/zinc/98/00/78/932980078.db2.gz YSDNIPRRHIMKKK-KRWDZBQOSA-N 1 2 369.421 3.769 20 5 FHBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000588437703 933053232 /nfs/dbraw/zinc/05/32/32/933053232.db2.gz YOPTXVPHRIOUDD-QINSGFPZSA-N 1 2 362.389 3.500 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)nc2c1 ZINC000610581420 933319248 /nfs/dbraw/zinc/31/92/48/933319248.db2.gz ZUMLKBJGWKGZJI-OAHLLOKOSA-N 1 2 367.361 3.802 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCO4)nc2c1 ZINC000610581420 933319262 /nfs/dbraw/zinc/31/92/62/933319262.db2.gz ZUMLKBJGWKGZJI-OAHLLOKOSA-N 1 2 367.361 3.802 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510660062 933376419 /nfs/dbraw/zinc/37/64/19/933376419.db2.gz CGTIDUFTPHVHRT-NRFANRHFSA-N 1 2 368.433 3.667 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510660062 933376434 /nfs/dbraw/zinc/37/64/34/933376434.db2.gz CGTIDUFTPHVHRT-NRFANRHFSA-N 1 2 368.433 3.667 20 5 FHBDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793855 934386834 /nfs/dbraw/zinc/38/68/34/934386834.db2.gz XKAQGGQKQBSIBD-ZIAGYGMSSA-N 1 2 371.412 3.705 20 5 FHBDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793855 934386835 /nfs/dbraw/zinc/38/68/35/934386835.db2.gz XKAQGGQKQBSIBD-ZIAGYGMSSA-N 1 2 371.412 3.705 20 5 FHBDLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000538945647 934971202 /nfs/dbraw/zinc/97/12/02/934971202.db2.gz KZXJXJGAYHDCAU-UHFFFAOYSA-N 1 2 365.433 3.939 20 5 FHBDLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000538945647 934971204 /nfs/dbraw/zinc/97/12/04/934971204.db2.gz KZXJXJGAYHDCAU-UHFFFAOYSA-N 1 2 365.433 3.939 20 5 FHBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+]2CCOCC2)cc1 ZINC000071968907 935130488 /nfs/dbraw/zinc/13/04/88/935130488.db2.gz NGOZWIZZGMHCIT-HXUWFJFHSA-N 1 2 355.438 3.697 20 5 FHBDLO Cc1c(C[NH2+][C@H](C)c2ncc(Br)s2)cccc1[N+](=O)[O-] ZINC000478488999 935636044 /nfs/dbraw/zinc/63/60/44/935636044.db2.gz LRMVLEWETSMDLK-SECBINFHSA-N 1 2 356.245 3.973 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000507289522 945118562 /nfs/dbraw/zinc/11/85/62/945118562.db2.gz MOAKURKOPJWIFL-UHFFFAOYSA-N 1 2 372.469 3.570 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611555923 935988658 /nfs/dbraw/zinc/98/86/58/935988658.db2.gz LAVITBFWKJJBFJ-OAHLLOKOSA-N 1 2 374.466 3.771 20 5 FHBDLO COc1cc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000078262161 936078098 /nfs/dbraw/zinc/07/80/98/936078098.db2.gz MGAAFGSDCZKGLZ-OAHLLOKOSA-N 1 2 351.353 3.596 20 5 FHBDLO NC(=O)c1ccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000536029613 938258743 /nfs/dbraw/zinc/25/87/43/938258743.db2.gz PVAPDGRWJTYHED-UHFFFAOYSA-N 1 2 369.396 3.512 20 5 FHBDLO CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427208124 945177441 /nfs/dbraw/zinc/17/74/41/945177441.db2.gz BBYKXGHCQPFPRN-RHSMWYFYSA-N 1 2 374.466 3.575 20 5 FHBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000437264569 945188982 /nfs/dbraw/zinc/18/89/82/945188982.db2.gz YXLDFROGQDYSIH-UHFFFAOYSA-N 1 2 364.283 3.822 20 5 FHBDLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611938874 938993516 /nfs/dbraw/zinc/99/35/16/938993516.db2.gz ASWMUDSAUAIFSL-OLZOCXBDSA-N 1 2 353.382 3.760 20 5 FHBDLO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179320181 939084973 /nfs/dbraw/zinc/08/49/73/939084973.db2.gz XMQBEFANXHORKA-UHFFFAOYSA-N 1 2 350.850 3.955 20 5 FHBDLO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000179320181 939084979 /nfs/dbraw/zinc/08/49/79/939084979.db2.gz XMQBEFANXHORKA-UHFFFAOYSA-N 1 2 350.850 3.955 20 5 FHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000179426765 939155573 /nfs/dbraw/zinc/15/55/73/939155573.db2.gz FYMZCPHPHPTUNK-NSHDSACASA-N 1 2 372.331 3.550 20 5 FHBDLO CCC[C@@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000437387838 945291922 /nfs/dbraw/zinc/29/19/22/945291922.db2.gz RVTVTAPGAHMWSB-IBGZPJMESA-N 1 2 356.426 3.823 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000506787495 945312681 /nfs/dbraw/zinc/31/26/81/945312681.db2.gz FTJQMWFZJMIZDT-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000506787495 945312688 /nfs/dbraw/zinc/31/26/88/945312688.db2.gz FTJQMWFZJMIZDT-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000173230164 940597967 /nfs/dbraw/zinc/59/79/67/940597967.db2.gz HGCCDUIFXPUVKY-UHFFFAOYSA-N 1 2 357.385 3.645 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000173230164 940597969 /nfs/dbraw/zinc/59/79/69/940597969.db2.gz HGCCDUIFXPUVKY-UHFFFAOYSA-N 1 2 357.385 3.645 20 5 FHBDLO CCC[C@@H](C)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000173337033 940611379 /nfs/dbraw/zinc/61/13/79/940611379.db2.gz JGPQATQBKGPPLF-GFCCVEGCSA-N 1 2 368.397 3.660 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(CN3CCn4c[nH+]cc4C3)o2)c(Cl)c1 ZINC000582817628 940900934 /nfs/dbraw/zinc/90/09/34/940900934.db2.gz ZDGHHNGZMXCHNC-UHFFFAOYSA-N 1 2 358.785 3.721 20 5 FHBDLO O=[N+]([O-])c1ccn(CC[N@H+](Cc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000513230914 941788385 /nfs/dbraw/zinc/78/83/85/941788385.db2.gz GEVQDZPCERDLQN-UHFFFAOYSA-N 1 2 355.225 3.763 20 5 FHBDLO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2c(Cl)cccc2Cl)C2CC2)n1 ZINC000513230914 941788389 /nfs/dbraw/zinc/78/83/89/941788389.db2.gz GEVQDZPCERDLQN-UHFFFAOYSA-N 1 2 355.225 3.763 20 5 FHBDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000513374669 941883590 /nfs/dbraw/zinc/88/35/90/941883590.db2.gz BHTACVRNJQDXRA-AWEZNQCLSA-N 1 2 360.385 3.786 20 5 FHBDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000513374669 941883595 /nfs/dbraw/zinc/88/35/95/941883595.db2.gz BHTACVRNJQDXRA-AWEZNQCLSA-N 1 2 360.385 3.786 20 5 FHBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000749808465 942474187 /nfs/dbraw/zinc/47/41/87/942474187.db2.gz DHKKPQUMMRTAKE-CQSZACIVSA-N 1 2 369.849 3.689 20 5 FHBDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000749808465 942474192 /nfs/dbraw/zinc/47/41/92/942474192.db2.gz DHKKPQUMMRTAKE-CQSZACIVSA-N 1 2 369.849 3.689 20 5 FHBDLO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000522711087 942614270 /nfs/dbraw/zinc/61/42/70/942614270.db2.gz KMTVGTXXDAIGRK-KRWDZBQOSA-N 1 2 373.840 3.876 20 5 FHBDLO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000522711087 942614276 /nfs/dbraw/zinc/61/42/76/942614276.db2.gz KMTVGTXXDAIGRK-KRWDZBQOSA-N 1 2 373.840 3.876 20 5 FHBDLO CCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000513995692 942656052 /nfs/dbraw/zinc/65/60/52/942656052.db2.gz ZOJJEAQTOVDJGI-QGZVFWFLSA-N 1 2 373.840 3.597 20 5 FHBDLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000434895379 943032982 /nfs/dbraw/zinc/03/29/82/943032982.db2.gz JUJQYCXOVCMZTP-JTQLQIEISA-N 1 2 355.225 3.717 20 5 FHBDLO C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000434895379 943032988 /nfs/dbraw/zinc/03/29/88/943032988.db2.gz JUJQYCXOVCMZTP-JTQLQIEISA-N 1 2 355.225 3.717 20 5 FHBDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416858 943855158 /nfs/dbraw/zinc/85/51/58/943855158.db2.gz GVYBZYSZGXGSAD-NSHDSACASA-N 1 2 350.216 3.945 20 5 FHBDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416858 943855164 /nfs/dbraw/zinc/85/51/64/943855164.db2.gz GVYBZYSZGXGSAD-NSHDSACASA-N 1 2 350.216 3.945 20 5 FHBDLO CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505067446 944027101 /nfs/dbraw/zinc/02/71/01/944027101.db2.gz CBBLBNGMMDRQNM-ZBFHGGJFSA-N 1 2 356.426 3.725 20 5 FHBDLO CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000505777580 944139793 /nfs/dbraw/zinc/13/97/93/944139793.db2.gz PVYRFWJYLWNACL-CQSZACIVSA-N 1 2 360.385 3.786 20 5 FHBDLO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000505777580 944139800 /nfs/dbraw/zinc/13/98/00/944139800.db2.gz PVYRFWJYLWNACL-CQSZACIVSA-N 1 2 360.385 3.786 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000506217294 944555978 /nfs/dbraw/zinc/55/59/78/944555978.db2.gz UCHRTGFPZHLMCS-CYBMUJFWSA-N 1 2 374.466 3.840 20 5 FHBDLO O=C1CCc2cc([N+](=O)[O-])c(Nc3ccc(N4CCCCC4)[nH+]c3)cc2N1 ZINC000506870391 944688410 /nfs/dbraw/zinc/68/84/10/944688410.db2.gz ALDNJIFMTMVFGE-UHFFFAOYSA-N 1 2 367.409 3.608 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053717790 944746594 /nfs/dbraw/zinc/74/65/94/944746594.db2.gz OEBIOZIPCLLGRY-GOSISDBHSA-N 1 2 357.385 3.818 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053717790 944746602 /nfs/dbraw/zinc/74/66/02/944746602.db2.gz OEBIOZIPCLLGRY-GOSISDBHSA-N 1 2 357.385 3.818 20 5 FHBDLO C[C@H](c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000517865916 944765064 /nfs/dbraw/zinc/76/50/64/944765064.db2.gz WEAKGIALYAWTLM-CQSZACIVSA-N 1 2 370.409 3.632 20 5 FHBDLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000506640478 944853131 /nfs/dbraw/zinc/85/31/31/944853131.db2.gz ZSPONMNZDDEDBA-AWEZNQCLSA-N 1 2 360.385 3.545 20 5 FHBDLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000506640478 944853140 /nfs/dbraw/zinc/85/31/40/944853140.db2.gz ZSPONMNZDDEDBA-AWEZNQCLSA-N 1 2 360.385 3.545 20 5 FHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126718384 945566270 /nfs/dbraw/zinc/56/62/70/945566270.db2.gz XBPOQZMMSDDYDY-UHFFFAOYSA-N 1 2 374.828 3.564 20 5 FHBDLO CC(C)([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1nccs1 ZINC000232577206 946345352 /nfs/dbraw/zinc/34/53/52/946345352.db2.gz ZHRWYYCVGNWJGK-UHFFFAOYSA-N 1 2 356.245 3.839 20 5 FHBDLO CC(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001126115760 946345555 /nfs/dbraw/zinc/34/55/55/946345555.db2.gz XLQTZRITSCGRFR-UHFFFAOYSA-N 1 2 357.395 3.613 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)n2)cc1 ZINC000186220950 946631576 /nfs/dbraw/zinc/63/15/76/946631576.db2.gz OLIMJDHPOSWPQU-UHFFFAOYSA-N 1 2 362.389 3.692 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3Cc4ccccc4C4(CC4)C3)n2)cc1 ZINC000186220950 946631591 /nfs/dbraw/zinc/63/15/91/946631591.db2.gz OLIMJDHPOSWPQU-UHFFFAOYSA-N 1 2 362.389 3.692 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccccc2SC)c([N+](=O)[O-])cc1OC ZINC000475278239 946798170 /nfs/dbraw/zinc/79/81/70/946798170.db2.gz KGZBFMGCOUMEJJ-UHFFFAOYSA-N 1 2 362.451 3.966 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccccc2SC)c([N+](=O)[O-])cc1OC ZINC000475278239 946798176 /nfs/dbraw/zinc/79/81/76/946798176.db2.gz KGZBFMGCOUMEJJ-UHFFFAOYSA-N 1 2 362.451 3.966 20 5 FHBDLO CC[NH+](CC)Cc1csc(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n1 ZINC000843771372 946927628 /nfs/dbraw/zinc/92/76/28/946927628.db2.gz IZJVSQJLEQAZPL-UHFFFAOYSA-N 1 2 366.418 3.593 20 5 FHBDLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181823447 947127084 /nfs/dbraw/zinc/12/70/84/947127084.db2.gz YSZPSURHDNENGH-CYBMUJFWSA-N 1 2 368.393 3.813 20 5 FHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000441490721 948019232 /nfs/dbraw/zinc/01/92/32/948019232.db2.gz RBDQHCFKOJBRCP-SFHVURJKSA-N 1 2 364.405 3.579 20 5 FHBDLO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000441545490 948242737 /nfs/dbraw/zinc/24/27/37/948242737.db2.gz LEWDPKZHGNYNCZ-UHFFFAOYSA-N 1 2 366.364 3.783 20 5 FHBDLO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000441545490 948242747 /nfs/dbraw/zinc/24/27/47/948242747.db2.gz LEWDPKZHGNYNCZ-UHFFFAOYSA-N 1 2 366.364 3.783 20 5 FHBDLO Cc1cc([C@H]2CCC[N@@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)on1 ZINC000728897458 948620347 /nfs/dbraw/zinc/62/03/47/948620347.db2.gz RIRJBLPTCWVZLT-QGZVFWFLSA-N 1 2 353.382 3.549 20 5 FHBDLO Cc1cc([C@H]2CCC[N@H+]2Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)on1 ZINC000728897458 948620350 /nfs/dbraw/zinc/62/03/50/948620350.db2.gz RIRJBLPTCWVZLT-QGZVFWFLSA-N 1 2 353.382 3.549 20 5 FHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000067523232 208708822 /nfs/dbraw/zinc/70/88/22/208708822.db2.gz YEXAHAFENMTNTA-UHFFFAOYSA-N 1 2 374.759 3.503 20 5 FHBDLO CC[N@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000541787417 567832307 /nfs/dbraw/zinc/83/23/07/567832307.db2.gz PQTDPFSKJLTTNQ-UHFFFAOYSA-N 1 2 360.389 3.772 20 5 FHBDLO CC[N@@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000541787417 567832309 /nfs/dbraw/zinc/83/23/09/567832309.db2.gz PQTDPFSKJLTTNQ-UHFFFAOYSA-N 1 2 360.389 3.772 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3c(F)cccc3N3CCCC3)nc2c1 ZINC000602649427 568004807 /nfs/dbraw/zinc/00/48/07/568004807.db2.gz HOPIUUAQEUPNSW-UHFFFAOYSA-N 1 2 370.384 3.765 20 5 FHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC000291095300 568049720 /nfs/dbraw/zinc/04/97/20/568049720.db2.gz IKPSACZEKMHSKZ-UHFFFAOYSA-N 1 2 366.776 3.723 20 5 FHBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000568552012 568050499 /nfs/dbraw/zinc/05/04/99/568050499.db2.gz RECQEIVQRVHMJZ-LJQANCHMSA-N 1 2 367.405 3.635 20 5 FHBDLO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)C1 ZINC000541891794 568076160 /nfs/dbraw/zinc/07/61/60/568076160.db2.gz VSKLPYHERGCJEH-CQSZACIVSA-N 1 2 369.421 3.785 20 5 FHBDLO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)C1 ZINC000541891794 568076161 /nfs/dbraw/zinc/07/61/61/568076161.db2.gz VSKLPYHERGCJEH-CQSZACIVSA-N 1 2 369.421 3.785 20 5 FHBDLO COc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542001813 568377751 /nfs/dbraw/zinc/37/77/51/568377751.db2.gz XQBIGTZZQKUZKV-UHFFFAOYSA-N 1 2 361.829 3.579 20 5 FHBDLO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000570105915 568451367 /nfs/dbraw/zinc/45/13/67/568451367.db2.gz FMNJKVFHOFNGOF-LRDDRELGSA-N 1 2 350.378 3.983 20 5 FHBDLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F ZINC000182023162 568469379 /nfs/dbraw/zinc/46/93/79/568469379.db2.gz NEVFPYYCXVYQAY-LLVKDONJSA-N 1 2 372.356 3.643 20 5 FHBDLO Cc1[nH+]c2ccccc2n1CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000570602967 568490253 /nfs/dbraw/zinc/49/02/53/568490253.db2.gz JRCUQJGMIAZCJH-UHFFFAOYSA-N 1 2 355.379 3.607 20 5 FHBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000023355442 927054866 /nfs/dbraw/zinc/05/48/66/927054866.db2.gz MCKLRLMFKMVCBL-NSHDSACASA-N 1 2 364.348 3.933 20 5 FHBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000023355442 927054872 /nfs/dbraw/zinc/05/48/72/927054872.db2.gz MCKLRLMFKMVCBL-NSHDSACASA-N 1 2 364.348 3.933 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC001167654086 937154850 /nfs/dbraw/zinc/15/48/50/937154850.db2.gz WWKVTGNYLMYILW-UHFFFAOYSA-N 1 2 355.438 3.542 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000430204279 928006482 /nfs/dbraw/zinc/00/64/82/928006482.db2.gz HCCOWQHPVHZCHC-NSHDSACASA-N 1 2 364.373 3.611 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1cccs1)C1CC1 ZINC000032638956 928950391 /nfs/dbraw/zinc/95/03/91/928950391.db2.gz RIORXLDYRFBGPH-UHFFFAOYSA-N 1 2 368.418 3.647 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001210445135 929798468 /nfs/dbraw/zinc/79/84/68/929798468.db2.gz YILHFECZUZYUSA-UHFFFAOYSA-N 1 2 363.171 3.757 20 5 FHBDLO C[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000275671824 929821093 /nfs/dbraw/zinc/82/10/93/929821093.db2.gz HHYOACDLTTUROR-VXGBXAGGSA-N 1 2 357.439 3.864 20 5 FHBDLO Cn1ccnc1[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000560528038 929853955 /nfs/dbraw/zinc/85/39/55/929853955.db2.gz KJVTZICYMYVOMP-IBGZPJMESA-N 1 2 372.469 3.747 20 5 FHBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000610341160 930036233 /nfs/dbraw/zinc/03/62/33/930036233.db2.gz HYJGCOATBUIORR-SFHVURJKSA-N 1 2 359.401 3.528 20 5 FHBDLO Cc1cc2c(s1)N(c1cnc([N+](=O)[O-])cn1)c1ccccc1NC2=[NH2+] ZINC001167469756 932240639 /nfs/dbraw/zinc/24/06/39/932240639.db2.gz XKWPGAHDWBPNBO-UHFFFAOYSA-N 1 2 352.379 3.575 20 5 FHBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000581577909 932269503 /nfs/dbraw/zinc/26/95/03/932269503.db2.gz AVMRDFMOVQAWAP-UHFFFAOYSA-N 1 2 365.393 3.665 20 5 FHBDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630955 932612504 /nfs/dbraw/zinc/61/25/04/932612504.db2.gz OQLUXANVNLSTAZ-WCQYABFASA-N 1 2 355.460 3.534 20 5 FHBDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630955 932612508 /nfs/dbraw/zinc/61/25/08/932612508.db2.gz OQLUXANVNLSTAZ-WCQYABFASA-N 1 2 355.460 3.534 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)c1C ZINC000588444934 933108256 /nfs/dbraw/zinc/10/82/56/933108256.db2.gz TVGKSUGESFFZTE-RAXLEYEMSA-N 1 2 369.421 3.677 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)nc2c1 ZINC000610580900 933312334 /nfs/dbraw/zinc/31/23/34/933312334.db2.gz WRDSUBXVRQHQNT-CQSZACIVSA-N 1 2 373.434 3.979 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)nc2c1 ZINC000610580900 933312347 /nfs/dbraw/zinc/31/23/47/933312347.db2.gz WRDSUBXVRQHQNT-CQSZACIVSA-N 1 2 373.434 3.979 20 5 FHBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000610737398 934028804 /nfs/dbraw/zinc/02/88/04/934028804.db2.gz WMZWEJDDNDBNID-KDOFPFPSSA-N 1 2 362.451 3.887 20 5 FHBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000610737398 934028811 /nfs/dbraw/zinc/02/88/11/934028811.db2.gz WMZWEJDDNDBNID-KDOFPFPSSA-N 1 2 362.451 3.887 20 5 FHBDLO Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000581991006 934078510 /nfs/dbraw/zinc/07/85/10/934078510.db2.gz LUTDJZSTLVXYSG-UHFFFAOYSA-N 1 2 354.332 3.960 20 5 FHBDLO Cc1ccc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000071968852 935133612 /nfs/dbraw/zinc/13/36/12/935133612.db2.gz DYQVQIKXKFUCMB-IBGZPJMESA-N 1 2 359.401 3.528 20 5 FHBDLO CC(C)c1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000121809333 935735063 /nfs/dbraw/zinc/73/50/63/935735063.db2.gz DAHWSZFLOGRSPI-UHFFFAOYSA-N 1 2 356.426 3.562 20 5 FHBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127772534 935785002 /nfs/dbraw/zinc/78/50/02/935785002.db2.gz LFAQBYRPRZOXSA-UHFFFAOYSA-N 1 2 366.776 3.886 20 5 FHBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000127772534 935785004 /nfs/dbraw/zinc/78/50/04/935785004.db2.gz LFAQBYRPRZOXSA-UHFFFAOYSA-N 1 2 366.776 3.886 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472298223 938367031 /nfs/dbraw/zinc/36/70/31/938367031.db2.gz SOIJOTWPWYPXFK-UHFFFAOYSA-N 1 2 353.378 3.720 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000472298223 938367034 /nfs/dbraw/zinc/36/70/34/938367034.db2.gz SOIJOTWPWYPXFK-UHFFFAOYSA-N 1 2 353.378 3.720 20 5 FHBDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599760 938480887 /nfs/dbraw/zinc/48/08/87/938480887.db2.gz CPYHZCGTOBVIBO-WMLDXEAASA-N 1 2 373.478 3.840 20 5 FHBDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599760 938480890 /nfs/dbraw/zinc/48/08/90/938480890.db2.gz CPYHZCGTOBVIBO-WMLDXEAASA-N 1 2 373.478 3.840 20 5 FHBDLO CCCC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000065680562 938938850 /nfs/dbraw/zinc/93/88/50/938938850.db2.gz GFAZQGDJSVBSCD-UHFFFAOYSA-N 1 2 356.426 3.869 20 5 FHBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000472336822 938994650 /nfs/dbraw/zinc/99/46/50/938994650.db2.gz OCBJDELNGCUIPC-ORAYPTAESA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000472336822 938994651 /nfs/dbraw/zinc/99/46/51/938994651.db2.gz OCBJDELNGCUIPC-ORAYPTAESA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000179426779 939155688 /nfs/dbraw/zinc/15/56/88/939155688.db2.gz FYMZCPHPHPTUNK-LLVKDONJSA-N 1 2 372.331 3.550 20 5 FHBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437333505 945256288 /nfs/dbraw/zinc/25/62/88/945256288.db2.gz RNFQEHKRQVNSCA-UHFFFAOYSA-N 1 2 350.256 3.514 20 5 FHBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506035724 945260665 /nfs/dbraw/zinc/26/06/65/945260665.db2.gz RYQFLCFZDZPRQF-UHFFFAOYSA-N 1 2 366.320 3.557 20 5 FHBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506035724 945260668 /nfs/dbraw/zinc/26/06/68/945260668.db2.gz RYQFLCFZDZPRQF-UHFFFAOYSA-N 1 2 366.320 3.557 20 5 FHBDLO C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000180407092 941005674 /nfs/dbraw/zinc/00/56/74/941005674.db2.gz BNCKEVPEMIFNBR-GFCCVEGCSA-N 1 2 357.801 3.680 20 5 FHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180687725 941064080 /nfs/dbraw/zinc/06/40/80/941064080.db2.gz UMOCYKHFTONJKA-UHFFFAOYSA-N 1 2 374.303 3.634 20 5 FHBDLO O=[N+]([O-])c1ccc(NC(=S)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000782891172 941163810 /nfs/dbraw/zinc/16/38/10/941163810.db2.gz QXWUYUHZVYVVCW-UHFFFAOYSA-N 1 2 373.482 3.681 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccsc1 ZINC000040110523 941550916 /nfs/dbraw/zinc/55/09/16/941550916.db2.gz ZTLXOACAHIJQJR-HNNXBMFYSA-N 1 2 368.418 3.819 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280038723 942092720 /nfs/dbraw/zinc/09/27/20/942092720.db2.gz ISXNCZJQZOGSLA-JTQLQIEISA-N 1 2 366.215 3.612 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Br)ccc1F ZINC000237193782 942478657 /nfs/dbraw/zinc/47/86/57/942478657.db2.gz HVFRJKLLFPEORR-UHFFFAOYSA-N 1 2 369.190 3.795 20 5 FHBDLO COC(=O)c1ccc(OC)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001167733736 942508339 /nfs/dbraw/zinc/50/83/39/942508339.db2.gz BSQOCPXGTBEAEH-UHFFFAOYSA-N 1 2 370.405 3.555 20 5 FHBDLO COC(=O)c1ccc(OC)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001167733736 942508344 /nfs/dbraw/zinc/50/83/44/942508344.db2.gz BSQOCPXGTBEAEH-UHFFFAOYSA-N 1 2 370.405 3.555 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514161010 942782167 /nfs/dbraw/zinc/78/21/67/942782167.db2.gz VRXYVSCUYOCWDF-UHFFFAOYSA-N 1 2 374.303 3.634 20 5 FHBDLO CC[C@H]([NH2+]Cc1nc(-c2cccc(OC)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000378465475 942796725 /nfs/dbraw/zinc/79/67/25/942796725.db2.gz WNMBUKMEJLXIKA-KRWDZBQOSA-N 1 2 368.393 3.894 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC(C)(C)CC1 ZINC000434686013 942864320 /nfs/dbraw/zinc/86/43/20/942864320.db2.gz SRWUQXVTNRSHKN-NSHDSACASA-N 1 2 371.890 3.793 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC(C)(C)CC1 ZINC000434686013 942864326 /nfs/dbraw/zinc/86/43/26/942864326.db2.gz SRWUQXVTNRSHKN-NSHDSACASA-N 1 2 371.890 3.793 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000430105471 942902093 /nfs/dbraw/zinc/90/20/93/942902093.db2.gz WHNAMUJAKICAGD-INIZCTEOSA-N 1 2 368.499 3.507 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000430105471 942902099 /nfs/dbraw/zinc/90/20/99/942902099.db2.gz WHNAMUJAKICAGD-INIZCTEOSA-N 1 2 368.499 3.507 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000514391889 942980363 /nfs/dbraw/zinc/98/03/63/942980363.db2.gz QGBLHONEJABMPU-GOSISDBHSA-N 1 2 361.829 3.734 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000425396560 943510733 /nfs/dbraw/zinc/51/07/33/943510733.db2.gz BNEQRGRYFKOYPI-UHFFFAOYSA-N 1 2 369.259 3.748 20 5 FHBDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505067443 944026594 /nfs/dbraw/zinc/02/65/94/944026594.db2.gz CBBLBNGMMDRQNM-GDBMZVCRSA-N 1 2 356.426 3.725 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000506196010 944446727 /nfs/dbraw/zinc/44/67/27/944446727.db2.gz VJVMANXGLDCENM-UHFFFAOYSA-N 1 2 374.466 3.771 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053717791 944746097 /nfs/dbraw/zinc/74/60/97/944746097.db2.gz OEBIOZIPCLLGRY-SFHVURJKSA-N 1 2 357.385 3.818 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000053717791 944746104 /nfs/dbraw/zinc/74/61/04/944746104.db2.gz OEBIOZIPCLLGRY-SFHVURJKSA-N 1 2 357.385 3.818 20 5 FHBDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000517999846 944919593 /nfs/dbraw/zinc/91/95/93/944919593.db2.gz GMYJJOSMMHOKQO-UHFFFAOYSA-N 1 2 355.423 3.822 20 5 FHBDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC000517999846 944919599 /nfs/dbraw/zinc/91/95/99/944919599.db2.gz GMYJJOSMMHOKQO-UHFFFAOYSA-N 1 2 355.423 3.822 20 5 FHBDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000507687482 945436785 /nfs/dbraw/zinc/43/67/85/945436785.db2.gz HPXFZMTUXSKRPZ-QGZVFWFLSA-N 1 2 369.465 3.791 20 5 FHBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000018934302 946299387 /nfs/dbraw/zinc/29/93/87/946299387.db2.gz MGBPYHFYZOVMLV-UHFFFAOYSA-N 1 2 363.820 3.705 20 5 FHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000067523199 946593154 /nfs/dbraw/zinc/59/31/54/946593154.db2.gz ZFVWUEDCDWRHPB-UHFFFAOYSA-N 1 2 374.759 3.503 20 5 FHBDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677957 947100941 /nfs/dbraw/zinc/10/09/41/947100941.db2.gz XMMQGCFXASZCLK-OAHLLOKOSA-N 1 2 365.437 3.572 20 5 FHBDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677957 947100952 /nfs/dbraw/zinc/10/09/52/947100952.db2.gz XMMQGCFXASZCLK-OAHLLOKOSA-N 1 2 365.437 3.572 20 5 FHBDLO C[C@]12CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1C2(F)F ZINC000839604659 948648000 /nfs/dbraw/zinc/64/80/00/948648000.db2.gz OLIAAAYULRAMAW-YPMHNXCESA-N 1 2 361.186 3.834 20 5 FHBDLO C[C@]12CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1C2(F)F ZINC000839604659 948648003 /nfs/dbraw/zinc/64/80/03/948648003.db2.gz OLIAAAYULRAMAW-YPMHNXCESA-N 1 2 361.186 3.834 20 5 FHBDLO Cc1cccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1[N+](=O)[O-] ZINC000036652200 208169656 /nfs/dbraw/zinc/16/96/56/208169656.db2.gz YDEHEPIOMKXWBK-UHFFFAOYSA-N 1 2 374.466 3.844 20 5 FHBDLO Cc1ccc(C)c(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451957 567958838 /nfs/dbraw/zinc/95/88/38/567958838.db2.gz DKIWGZCUJPZYPK-GOSISDBHSA-N 1 2 367.405 3.515 20 5 FHBDLO O=C(Nc1cc(Cl)ccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000602246494 567959337 /nfs/dbraw/zinc/95/93/37/567959337.db2.gz DSYRPYROAQIBLI-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Cl)cc1 ZINC000051453678 567961232 /nfs/dbraw/zinc/96/12/32/567961232.db2.gz SXEPSKLQEQJXSO-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(Cl)cc1 ZINC000051453678 567961233 /nfs/dbraw/zinc/96/12/33/567961233.db2.gz SXEPSKLQEQJXSO-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO Cc1cccc(C)c1OC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000051451856 567961282 /nfs/dbraw/zinc/96/12/82/567961282.db2.gz NWWOCOIBAWUKMO-SFHVURJKSA-N 1 2 367.405 3.515 20 5 FHBDLO O=[N+]([O-])c1sc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1Br ZINC000602700125 568017173 /nfs/dbraw/zinc/01/71/73/568017173.db2.gz KCTXMARGCKMVRZ-LLVKDONJSA-N 1 2 368.256 3.803 20 5 FHBDLO O=[N+]([O-])c1sc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1Br ZINC000602700125 568017175 /nfs/dbraw/zinc/01/71/75/568017175.db2.gz KCTXMARGCKMVRZ-LLVKDONJSA-N 1 2 368.256 3.803 20 5 FHBDLO Cc1cc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000128694612 568174724 /nfs/dbraw/zinc/17/47/24/568174724.db2.gz MRTRNGOKPYQJPN-UHFFFAOYSA-N 1 2 350.172 3.621 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000569145935 568293361 /nfs/dbraw/zinc/29/33/61/568293361.db2.gz PGIQZQMTWKLMAQ-GOSISDBHSA-N 1 2 362.813 3.701 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000569145935 568293362 /nfs/dbraw/zinc/29/33/62/568293362.db2.gz PGIQZQMTWKLMAQ-GOSISDBHSA-N 1 2 362.813 3.701 20 5 FHBDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004851 568301280 /nfs/dbraw/zinc/30/12/80/568301280.db2.gz KPQPTYCMYOONCE-SCLBCKFNSA-N 1 2 351.410 3.735 20 5 FHBDLO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000216527595 927111936 /nfs/dbraw/zinc/11/19/36/927111936.db2.gz JHGATYUAVLAWFR-AWEZNQCLSA-N 1 2 359.401 3.973 20 5 FHBDLO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1 ZINC000216527595 927111937 /nfs/dbraw/zinc/11/19/37/927111937.db2.gz JHGATYUAVLAWFR-AWEZNQCLSA-N 1 2 359.401 3.973 20 5 FHBDLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000430284053 929251419 /nfs/dbraw/zinc/25/14/19/929251419.db2.gz KHIAZKJNWJYEMG-GFCCVEGCSA-N 1 2 372.450 3.555 20 5 FHBDLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000430284053 929251429 /nfs/dbraw/zinc/25/14/29/929251429.db2.gz KHIAZKJNWJYEMG-GFCCVEGCSA-N 1 2 372.450 3.555 20 5 FHBDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000134906106 929603878 /nfs/dbraw/zinc/60/38/78/929603878.db2.gz LZCQXKZSSVGCOL-VIFPVBQESA-N 1 2 356.245 3.973 20 5 FHBDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743120 930192263 /nfs/dbraw/zinc/19/22/63/930192263.db2.gz OOEFUFOXXQGZNU-UHFFFAOYSA-N 1 2 361.829 3.579 20 5 FHBDLO COCC[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000579616943 930630263 /nfs/dbraw/zinc/63/02/63/930630263.db2.gz ASTBRQQDRNGSNJ-UHFFFAOYSA-N 1 2 358.316 3.855 20 5 FHBDLO COCC[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000579616943 930630266 /nfs/dbraw/zinc/63/02/66/930630266.db2.gz ASTBRQQDRNGSNJ-UHFFFAOYSA-N 1 2 358.316 3.855 20 5 FHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(F)cc3c2OCOC3)C2CC2)c1 ZINC000177999124 932003160 /nfs/dbraw/zinc/00/31/60/932003160.db2.gz QLVRUIQOWQRFCN-UHFFFAOYSA-N 1 2 358.369 3.765 20 5 FHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(F)cc3c2OCOC3)C2CC2)c1 ZINC000177999124 932003163 /nfs/dbraw/zinc/00/31/63/932003163.db2.gz QLVRUIQOWQRFCN-UHFFFAOYSA-N 1 2 358.369 3.765 20 5 FHBDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630974 932612581 /nfs/dbraw/zinc/61/25/81/932612581.db2.gz OQLUXANVNLSTAZ-YPMHNXCESA-N 1 2 355.460 3.534 20 5 FHBDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000134630974 932612586 /nfs/dbraw/zinc/61/25/86/932612586.db2.gz OQLUXANVNLSTAZ-YPMHNXCESA-N 1 2 355.460 3.534 20 5 FHBDLO C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510542809 933206753 /nfs/dbraw/zinc/20/67/53/933206753.db2.gz CEOOARAZGYKEMU-GJZGRUSLSA-N 1 2 356.426 3.727 20 5 FHBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(N3CCc4ccccc43)CC2)c(F)c1 ZINC000510592920 933247380 /nfs/dbraw/zinc/24/73/80/933247380.db2.gz SKNPYONJTRITTC-UHFFFAOYSA-N 1 2 373.403 3.900 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000510957375 934225494 /nfs/dbraw/zinc/22/54/94/934225494.db2.gz FVSHFBIBVTUDSR-GFCCVEGCSA-N 1 2 374.466 3.844 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000510957375 934225499 /nfs/dbraw/zinc/22/54/99/934225499.db2.gz FVSHFBIBVTUDSR-GFCCVEGCSA-N 1 2 374.466 3.844 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000277356471 935016028 /nfs/dbraw/zinc/01/60/28/935016028.db2.gz ALZMUZWJWNSNHQ-HNNXBMFYSA-N 1 2 373.457 3.537 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000277422661 935148255 /nfs/dbraw/zinc/14/82/55/935148255.db2.gz DJZSYDPAESLIAY-UHFFFAOYSA-N 1 2 370.409 3.652 20 5 FHBDLO Cc1c(C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000611575321 935243760 /nfs/dbraw/zinc/24/37/60/935243760.db2.gz GDENCFWWCWZZMP-KRWDZBQOSA-N 1 2 368.355 3.829 20 5 FHBDLO Cc1c(C[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000611575321 935243761 /nfs/dbraw/zinc/24/37/61/935243761.db2.gz GDENCFWWCWZZMP-KRWDZBQOSA-N 1 2 368.355 3.829 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000277481847 935285323 /nfs/dbraw/zinc/28/53/23/935285323.db2.gz HZXCVUPJMQZTJK-UHFFFAOYSA-N 1 2 372.469 3.570 20 5 FHBDLO CCc1cccc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014427856 935292175 /nfs/dbraw/zinc/29/21/75/935292175.db2.gz BNXDRNMHJYILLQ-UHFFFAOYSA-N 1 2 350.378 3.904 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000127917050 935839962 /nfs/dbraw/zinc/83/99/62/935839962.db2.gz DRSFKOLBNJFNHM-UHFFFAOYSA-N 1 2 357.414 3.620 20 5 FHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCOC[C@H]2C)cc1OC ZINC000611668204 935890481 /nfs/dbraw/zinc/89/04/81/935890481.db2.gz DOCKQGCYVKYVQF-HUUCEWRRSA-N 1 2 366.458 3.639 20 5 FHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCOC[C@H]2C)cc1OC ZINC000611668204 935890485 /nfs/dbraw/zinc/89/04/85/935890485.db2.gz DOCKQGCYVKYVQF-HUUCEWRRSA-N 1 2 366.458 3.639 20 5 FHBDLO CCC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000480120126 936025084 /nfs/dbraw/zinc/02/50/84/936025084.db2.gz YYUNLRMMVRNBQX-UHFFFAOYSA-N 1 2 350.378 3.985 20 5 FHBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507343596 945158526 /nfs/dbraw/zinc/15/85/26/945158526.db2.gz YPXGKICTSJBOEL-HNNXBMFYSA-N 1 2 371.437 3.843 20 5 FHBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507343596 945158531 /nfs/dbraw/zinc/15/85/31/945158531.db2.gz YPXGKICTSJBOEL-HNNXBMFYSA-N 1 2 371.437 3.843 20 5 FHBDLO CC1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc21 ZINC000536180949 938521027 /nfs/dbraw/zinc/52/10/27/938521027.db2.gz PVTMVFXNHOEFSB-UHFFFAOYSA-N 1 2 364.405 3.938 20 5 FHBDLO CC1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)Cc2ccccc21 ZINC000536180949 938521028 /nfs/dbraw/zinc/52/10/28/938521028.db2.gz PVTMVFXNHOEFSB-UHFFFAOYSA-N 1 2 364.405 3.938 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c(F)cccc3N3CCCC3)nc2c1 ZINC000278631482 938601585 /nfs/dbraw/zinc/60/15/85/938601585.db2.gz IFWGFKQQFWXIRJ-UHFFFAOYSA-N 1 2 369.400 3.500 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1O ZINC000179186058 938986701 /nfs/dbraw/zinc/98/67/01/938986701.db2.gz QSVVAWPCNMJZAK-UHFFFAOYSA-N 1 2 369.377 3.596 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1O ZINC000179186058 938986702 /nfs/dbraw/zinc/98/67/02/938986702.db2.gz QSVVAWPCNMJZAK-UHFFFAOYSA-N 1 2 369.377 3.596 20 5 FHBDLO CCC[C@]1(C)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000437387840 945291759 /nfs/dbraw/zinc/29/17/59/945291759.db2.gz RVTVTAPGAHMWSB-LJQANCHMSA-N 1 2 356.426 3.823 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000580337508 940473250 /nfs/dbraw/zinc/47/32/50/940473250.db2.gz HESNXNRUTXXOOZ-UHFFFAOYSA-N 1 2 370.340 3.571 20 5 FHBDLO CSc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000188848626 941119602 /nfs/dbraw/zinc/11/96/02/941119602.db2.gz DLEUAHVOWOTDFT-UHFFFAOYSA-N 1 2 354.391 3.959 20 5 FHBDLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181534885 941530762 /nfs/dbraw/zinc/53/07/62/941530762.db2.gz SEVMWRIXGMCKFW-NWDGAFQWSA-N 1 2 354.366 3.762 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946992 942270022 /nfs/dbraw/zinc/27/00/22/942270022.db2.gz MJNCGNLVZWCUJJ-LBPRGKRZSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420946992 942270024 /nfs/dbraw/zinc/27/00/24/942270024.db2.gz MJNCGNLVZWCUJJ-LBPRGKRZSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC000413212386 942487187 /nfs/dbraw/zinc/48/71/87/942487187.db2.gz YIADDQQNGGKLLW-SNVBAGLBSA-N 1 2 355.320 3.503 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(F)(c4ccccc4)CC3)nc2c1 ZINC000434495703 942711927 /nfs/dbraw/zinc/71/19/27/942711927.db2.gz YGRBVZXOSLPROF-UHFFFAOYSA-N 1 2 354.385 3.932 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000378457857 942789914 /nfs/dbraw/zinc/78/99/14/942789914.db2.gz CYCAEQKTXZSSJN-ZDUSSCGKSA-N 1 2 374.466 3.838 20 5 FHBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC=Cc2ccccc21 ZINC001269231314 943009727 /nfs/dbraw/zinc/00/97/27/943009727.db2.gz BNGCEYPRZUVZKL-UHFFFAOYSA-N 1 2 360.373 3.844 20 5 FHBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C(c1ccccc1)c1ccccc1 ZINC000584754793 943536760 /nfs/dbraw/zinc/53/67/60/943536760.db2.gz DEHDURFVKYSMSC-UHFFFAOYSA-N 1 2 350.422 3.940 20 5 FHBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C(c1ccccc1)c1ccccc1 ZINC000584754793 943536762 /nfs/dbraw/zinc/53/67/62/943536762.db2.gz DEHDURFVKYSMSC-UHFFFAOYSA-N 1 2 350.422 3.940 20 5 FHBDLO CC1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc21 ZINC000517020618 943921228 /nfs/dbraw/zinc/92/12/28/943921228.db2.gz KXOKJZGSXPHHJF-UHFFFAOYSA-N 1 2 364.405 3.938 20 5 FHBDLO CC1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)Cc2ccccc21 ZINC000517020618 943921234 /nfs/dbraw/zinc/92/12/34/943921234.db2.gz KXOKJZGSXPHHJF-UHFFFAOYSA-N 1 2 364.405 3.938 20 5 FHBDLO Cc1ccc(Sc2ccc(C[N@@H+](C)CC(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000506086509 944003619 /nfs/dbraw/zinc/00/36/19/944003619.db2.gz NIVSAGMLPLMBQJ-UHFFFAOYSA-N 1 2 373.478 3.574 20 5 FHBDLO Cc1ccc(Sc2ccc(C[N@H+](C)CC(=O)N(C)C)cc2[N+](=O)[O-])cc1 ZINC000506086509 944003632 /nfs/dbraw/zinc/00/36/32/944003632.db2.gz NIVSAGMLPLMBQJ-UHFFFAOYSA-N 1 2 373.478 3.574 20 5 FHBDLO Cc1ccc([C@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000500085658 944072862 /nfs/dbraw/zinc/07/28/62/944072862.db2.gz HFJLKPQYOCFYKB-HNNXBMFYSA-N 1 2 364.405 3.639 20 5 FHBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000436269245 944167789 /nfs/dbraw/zinc/16/77/89/944167789.db2.gz JGNJVXBGQNQPKX-UHFFFAOYSA-N 1 2 353.304 3.747 20 5 FHBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000436276886 944173849 /nfs/dbraw/zinc/17/38/49/944173849.db2.gz VIFWJWSRLBQAGQ-UHFFFAOYSA-N 1 2 367.331 3.616 20 5 FHBDLO C[N@H+](CCOc1ccc(Br)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000515781607 944208096 /nfs/dbraw/zinc/20/80/96/944208096.db2.gz KLPIQEWBSFGFBT-UHFFFAOYSA-N 1 2 371.256 3.930 20 5 FHBDLO C[N@@H+](CCOc1ccc(Br)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000515781607 944208101 /nfs/dbraw/zinc/20/81/01/944208101.db2.gz KLPIQEWBSFGFBT-UHFFFAOYSA-N 1 2 371.256 3.930 20 5 FHBDLO CC(C)(C)[C@@H]([NH2+]Cn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000123578286 944384398 /nfs/dbraw/zinc/38/43/98/944384398.db2.gz YIRWXVCUNQQXJN-KRWDZBQOSA-N 1 2 355.394 3.837 20 5 FHBDLO C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584564045 944426935 /nfs/dbraw/zinc/42/69/35/944426935.db2.gz MNOWAXHYKMEUAV-MRXNPFEDSA-N 1 2 370.453 3.614 20 5 FHBDLO COc1cc(C[NH2+][C@@H](C)c2c(F)cccc2OC)c([N+](=O)[O-])cc1F ZINC000184309587 944566565 /nfs/dbraw/zinc/56/65/65/944566565.db2.gz PJLYARZNEJELAW-JTQLQIEISA-N 1 2 352.337 3.741 20 5 FHBDLO CC(C)N(Cc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000516250106 944636173 /nfs/dbraw/zinc/63/61/73/944636173.db2.gz QHUVEYNWJFEFFE-UHFFFAOYSA-N 1 2 370.434 3.893 20 5 FHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000519749613 945715564 /nfs/dbraw/zinc/71/55/64/945715564.db2.gz XJLXQNVITAPNQQ-QFBILLFUSA-N 1 2 360.385 3.792 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000444154674 945996685 /nfs/dbraw/zinc/99/66/85/945996685.db2.gz DYBSYCFTLQCIQY-KXBFYZLASA-N 1 2 353.422 3.783 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000444154674 945996692 /nfs/dbraw/zinc/99/66/92/945996692.db2.gz DYBSYCFTLQCIQY-KXBFYZLASA-N 1 2 353.422 3.783 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939004 946299652 /nfs/dbraw/zinc/29/96/52/946299652.db2.gz SREDEFMOKVOOBB-SNVBAGLBSA-N 1 2 353.831 3.769 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939004 946299661 /nfs/dbraw/zinc/29/96/61/946299661.db2.gz SREDEFMOKVOOBB-SNVBAGLBSA-N 1 2 353.831 3.769 20 5 FHBDLO CC(C)CN(CC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000475184830 946577131 /nfs/dbraw/zinc/57/71/31/946577131.db2.gz SFDYKJKCROVZLW-UHFFFAOYSA-N 1 2 358.442 3.925 20 5 FHBDLO NC(=[NH2+])N(c1ccc(F)cc1)c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001167992913 946768052 /nfs/dbraw/zinc/76/80/52/946768052.db2.gz SOQAMAWIFKVLPB-UHFFFAOYSA-N 1 2 371.141 3.667 20 5 FHBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC001126174191 946915566 /nfs/dbraw/zinc/91/55/66/946915566.db2.gz QVGMOPSRCNDWCS-UHFFFAOYSA-N 1 2 368.368 3.585 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1Br ZINC000048820785 946929246 /nfs/dbraw/zinc/92/92/46/946929246.db2.gz WGPBHFJWLGKOKW-UHFFFAOYSA-N 1 2 351.200 3.656 20 5 FHBDLO CCOc1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520481023 947928632 /nfs/dbraw/zinc/92/86/32/947928632.db2.gz SFFGXOJNLJXLHQ-FQEVSTJZSA-N 1 2 356.422 3.741 20 5 FHBDLO CCOc1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520481023 947928634 /nfs/dbraw/zinc/92/86/34/947928634.db2.gz SFFGXOJNLJXLHQ-FQEVSTJZSA-N 1 2 356.422 3.741 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520543313 948257931 /nfs/dbraw/zinc/25/79/31/948257931.db2.gz BUNJFKGOSGHMQW-HNNXBMFYSA-N 1 2 369.421 3.549 20 5 FHBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000106877553 948330777 /nfs/dbraw/zinc/33/07/77/948330777.db2.gz UYWTYZLKGHSECM-LBPRGKRZSA-N 1 2 362.455 3.608 20 5 FHBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000106877553 948330785 /nfs/dbraw/zinc/33/07/85/948330785.db2.gz UYWTYZLKGHSECM-LBPRGKRZSA-N 1 2 362.455 3.608 20 5 FHBDLO Cc1nn(C)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000279184000 948593598 /nfs/dbraw/zinc/59/35/98/948593598.db2.gz SGXYRBJUWOIXOD-SNVBAGLBSA-N 1 2 367.247 3.558 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccsc1 ZINC000040110521 948611356 /nfs/dbraw/zinc/61/13/56/948611356.db2.gz ZTLXOACAHIJQJR-OAHLLOKOSA-N 1 2 368.418 3.819 20 5 FHBDLO CCOC1(C)CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602670839 568007946 /nfs/dbraw/zinc/00/79/46/568007946.db2.gz GSVFIZQXGBLIHX-UHFFFAOYSA-N 1 2 363.277 3.810 20 5 FHBDLO COc1cc(F)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000568400114 568030572 /nfs/dbraw/zinc/03/05/72/568030572.db2.gz ORCXGYPYQRBAQZ-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO COc1cc(F)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1OC ZINC000568400114 568030574 /nfs/dbraw/zinc/03/05/74/568030574.db2.gz ORCXGYPYQRBAQZ-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO CCc1ccc([C@H](CO)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000568552008 568050488 /nfs/dbraw/zinc/05/04/88/568050488.db2.gz RECQEIVQRVHMJZ-IBGZPJMESA-N 1 2 367.405 3.635 20 5 FHBDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1[N+](=O)[O-] ZINC000128764075 568290078 /nfs/dbraw/zinc/29/00/78/568290078.db2.gz RCIZNFHNTOPGHG-LJQANCHMSA-N 1 2 360.385 3.624 20 5 FHBDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1[N+](=O)[O-] ZINC000128764075 568290079 /nfs/dbraw/zinc/29/00/79/568290079.db2.gz RCIZNFHNTOPGHG-LJQANCHMSA-N 1 2 360.385 3.624 20 5 FHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccccc1F ZINC000007358671 568501799 /nfs/dbraw/zinc/50/17/99/568501799.db2.gz QBNIAVYASSDWPI-LBPRGKRZSA-N 1 2 356.357 3.977 20 5 FHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccccc1F ZINC000007358671 568501800 /nfs/dbraw/zinc/50/18/00/568501800.db2.gz QBNIAVYASSDWPI-LBPRGKRZSA-N 1 2 356.357 3.977 20 5 FHBDLO CCCC[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110715629 945065747 /nfs/dbraw/zinc/06/57/47/945065747.db2.gz KRLNPCYKTICOMV-GOEBONIOSA-N 1 2 356.426 3.869 20 5 FHBDLO CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000120629782 929129693 /nfs/dbraw/zinc/12/96/93/929129693.db2.gz UHRDFLRVDZNLSX-MRXNPFEDSA-N 1 2 369.421 3.581 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000394120593 929253339 /nfs/dbraw/zinc/25/33/39/929253339.db2.gz BBPHITODDFKEGM-INIZCTEOSA-N 1 2 361.829 3.561 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000394120593 929253350 /nfs/dbraw/zinc/25/33/50/929253350.db2.gz BBPHITODDFKEGM-INIZCTEOSA-N 1 2 361.829 3.561 20 5 FHBDLO CCCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000510157753 929374880 /nfs/dbraw/zinc/37/48/80/929374880.db2.gz AJDADEUPICZZKT-UHFFFAOYSA-N 1 2 366.377 3.822 20 5 FHBDLO O=C(NC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000472285586 937336089 /nfs/dbraw/zinc/33/60/89/937336089.db2.gz XKUJKJPWJFBRDX-MRXNPFEDSA-N 1 2 371.412 3.518 20 5 FHBDLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000472285586 937336092 /nfs/dbraw/zinc/33/60/92/937336092.db2.gz XKUJKJPWJFBRDX-MRXNPFEDSA-N 1 2 371.412 3.518 20 5 FHBDLO Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000121053147 929664260 /nfs/dbraw/zinc/66/42/60/929664260.db2.gz LNLMXKNEOSPMJK-GFCCVEGCSA-N 1 2 363.801 3.974 20 5 FHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000581032513 931478995 /nfs/dbraw/zinc/47/89/95/931478995.db2.gz MXVBGCYRBOCXLT-YVMONPNESA-N 1 2 365.433 3.633 20 5 FHBDLO COC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000135238570 932079393 /nfs/dbraw/zinc/07/93/93/932079393.db2.gz SATCIJUCQDZREE-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000135238570 932079398 /nfs/dbraw/zinc/07/93/98/932079398.db2.gz SATCIJUCQDZREE-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)c1ccc([N+](=O)[O-])o1 ZINC000581564588 932251542 /nfs/dbraw/zinc/25/15/42/932251542.db2.gz XTCBTZGBAZCZTR-UHFFFAOYSA-N 1 2 352.350 3.640 20 5 FHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc(F)cc1F ZINC000051286900 932958607 /nfs/dbraw/zinc/95/86/07/932958607.db2.gz VBXCHYZMMRAVTD-INIZCTEOSA-N 1 2 356.756 3.692 20 5 FHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc(F)cc1F ZINC000051286900 932958610 /nfs/dbraw/zinc/95/86/10/932958610.db2.gz VBXCHYZMMRAVTD-INIZCTEOSA-N 1 2 356.756 3.692 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000535680915 934272922 /nfs/dbraw/zinc/27/29/22/934272922.db2.gz QAZCKOZQKISGEF-NSHDSACASA-N 1 2 365.792 3.846 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000535680915 934272931 /nfs/dbraw/zinc/27/29/31/934272931.db2.gz QAZCKOZQKISGEF-NSHDSACASA-N 1 2 365.792 3.846 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000277071334 934474929 /nfs/dbraw/zinc/47/49/29/934474929.db2.gz AGBROZCSZBBFRO-UHFFFAOYSA-N 1 2 364.833 3.560 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)c3ccsc3)cs2)c1 ZINC000472080791 934965103 /nfs/dbraw/zinc/96/51/03/934965103.db2.gz TUMAQQAOMMXDRO-HNNXBMFYSA-N 1 2 361.448 3.603 20 5 FHBDLO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000539276631 935126529 /nfs/dbraw/zinc/12/65/29/935126529.db2.gz OEZRNHOFKCMNNT-GFCCVEGCSA-N 1 2 354.366 3.504 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000551406648 935270184 /nfs/dbraw/zinc/27/01/84/935270184.db2.gz NIVCFLKAMZODFP-LBPRGKRZSA-N 1 2 373.375 3.895 20 5 FHBDLO Cc1ccccc1Cc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000511074182 935274999 /nfs/dbraw/zinc/27/49/99/935274999.db2.gz NTMDQHITEVDWBJ-UHFFFAOYSA-N 1 2 366.421 3.552 20 5 FHBDLO Cc1ccccc1Cc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000511074182 935275000 /nfs/dbraw/zinc/27/50/00/935275000.db2.gz NTMDQHITEVDWBJ-UHFFFAOYSA-N 1 2 366.421 3.552 20 5 FHBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000051589661 935513561 /nfs/dbraw/zinc/51/35/61/935513561.db2.gz ZAOVTLMACHAFJX-UHFFFAOYSA-N 1 2 355.438 3.899 20 5 FHBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000051589661 935513568 /nfs/dbraw/zinc/51/35/68/935513568.db2.gz ZAOVTLMACHAFJX-UHFFFAOYSA-N 1 2 355.438 3.899 20 5 FHBDLO COC(=O)c1ccc(F)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000511135350 935762776 /nfs/dbraw/zinc/76/27/76/935762776.db2.gz OSQPQPHECMSCOQ-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO COC(=O)c1ccc(F)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000511135350 935762778 /nfs/dbraw/zinc/76/27/78/935762778.db2.gz OSQPQPHECMSCOQ-UHFFFAOYSA-N 1 2 358.369 3.685 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000277678909 935811389 /nfs/dbraw/zinc/81/13/89/935811389.db2.gz WOSGDKROUWYXHQ-UHFFFAOYSA-N 1 2 364.833 3.560 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2c1cccc2Cl ZINC000176336340 935835638 /nfs/dbraw/zinc/83/56/38/935835638.db2.gz XUILJPGVJXYMBR-UHFFFAOYSA-N 1 2 368.780 3.637 20 5 FHBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000507343598 945158679 /nfs/dbraw/zinc/15/86/79/945158679.db2.gz YPXGKICTSJBOEL-OAHLLOKOSA-N 1 2 371.437 3.843 20 5 FHBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(=O)Nc1ccccc1 ZINC000507343598 945158682 /nfs/dbraw/zinc/15/86/82/945158682.db2.gz YPXGKICTSJBOEL-OAHLLOKOSA-N 1 2 371.437 3.843 20 5 FHBDLO CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427208125 945177840 /nfs/dbraw/zinc/17/78/40/945177840.db2.gz BBYKXGHCQPFPRN-WMLDXEAASA-N 1 2 374.466 3.575 20 5 FHBDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157815026 938965969 /nfs/dbraw/zinc/96/59/69/938965969.db2.gz DJWPFIANMHIMNK-UHFFFAOYSA-N 1 2 356.245 3.754 20 5 FHBDLO Cc1ncsc1C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157815026 938965971 /nfs/dbraw/zinc/96/59/71/938965971.db2.gz DJWPFIANMHIMNK-UHFFFAOYSA-N 1 2 356.245 3.754 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(Br)cn1)C1CC1 ZINC000179242454 938996439 /nfs/dbraw/zinc/99/64/39/938996439.db2.gz LYGDNTLEZYCQSD-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(Br)cn1)C1CC1 ZINC000179242454 938996440 /nfs/dbraw/zinc/99/64/40/938996440.db2.gz LYGDNTLEZYCQSD-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO CC[N@H+](Cc1ccoc1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000102408325 939016963 /nfs/dbraw/zinc/01/69/63/939016963.db2.gz GPHXHCPLPGCAEA-UHFFFAOYSA-N 1 2 356.325 3.820 20 5 FHBDLO CC[N@@H+](Cc1ccoc1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000102408325 939016964 /nfs/dbraw/zinc/01/69/64/939016964.db2.gz GPHXHCPLPGCAEA-UHFFFAOYSA-N 1 2 356.325 3.820 20 5 FHBDLO Cn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2cccnc2)n1 ZINC000179788052 939934974 /nfs/dbraw/zinc/93/49/74/939934974.db2.gz IZCMMHKDMCHGLG-UHFFFAOYSA-N 1 2 371.828 3.676 20 5 FHBDLO Cn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2cccnc2)n1 ZINC000179788052 939934979 /nfs/dbraw/zinc/93/49/79/939934979.db2.gz IZCMMHKDMCHGLG-UHFFFAOYSA-N 1 2 371.828 3.676 20 5 FHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000581166120 940494704 /nfs/dbraw/zinc/49/47/04/940494704.db2.gz PBPRVMJANIFVQN-LSDHHAIUSA-N 1 2 373.478 3.665 20 5 FHBDLO CSCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000066551916 940646867 /nfs/dbraw/zinc/64/68/67/940646867.db2.gz XQKWBDFHODAYPU-UHFFFAOYSA-N 1 2 368.418 3.896 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280038728 942093290 /nfs/dbraw/zinc/09/32/90/942093290.db2.gz ISXNCZJQZOGSLA-SNVBAGLBSA-N 1 2 366.215 3.612 20 5 FHBDLO CC[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420945816 942269733 /nfs/dbraw/zinc/26/97/33/942269733.db2.gz BGKVEKFHFNBFKU-WQVCFCJDSA-N 1 2 360.414 3.595 20 5 FHBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CC)O1 ZINC000420945816 942269735 /nfs/dbraw/zinc/26/97/35/942269735.db2.gz BGKVEKFHFNBFKU-WQVCFCJDSA-N 1 2 360.414 3.595 20 5 FHBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000183497172 942333248 /nfs/dbraw/zinc/33/32/48/942333248.db2.gz PHKDRUNBXFECAL-SNVBAGLBSA-N 1 2 352.337 3.741 20 5 FHBDLO Cc1cc(C2=CC[N@H+](Cc3ncc(C4CC4)o3)CC2)cc([N+](=O)[O-])c1N ZINC000378323223 942588961 /nfs/dbraw/zinc/58/89/61/942588961.db2.gz JCVAPBWQHFXFBZ-UHFFFAOYSA-N 1 2 354.410 3.640 20 5 FHBDLO Cc1cc(C2=CC[N@@H+](Cc3ncc(C4CC4)o3)CC2)cc([N+](=O)[O-])c1N ZINC000378323223 942588971 /nfs/dbraw/zinc/58/89/71/942588971.db2.gz JCVAPBWQHFXFBZ-UHFFFAOYSA-N 1 2 354.410 3.640 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000421499265 942611798 /nfs/dbraw/zinc/61/17/98/942611798.db2.gz ASEJARFUXQVRSW-HNNXBMFYSA-N 1 2 373.478 3.792 20 5 FHBDLO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000434677982 942863105 /nfs/dbraw/zinc/86/31/05/942863105.db2.gz ASFUXUNUJJQRHX-UHFFFAOYSA-N 1 2 360.360 3.968 20 5 FHBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435030292 943113401 /nfs/dbraw/zinc/11/34/01/943113401.db2.gz QGHDQODPNBVIFM-LCYFTJDESA-N 1 2 368.368 3.977 20 5 FHBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000515193998 943557830 /nfs/dbraw/zinc/55/78/30/943557830.db2.gz ILJJOYFWWCNTAQ-UHFFFAOYSA-N 1 2 363.820 3.705 20 5 FHBDLO CC[N@H+](Cc1ccncc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420493 943866985 /nfs/dbraw/zinc/86/69/85/943866985.db2.gz MLHOPYGFGDCGKS-UHFFFAOYSA-N 1 2 350.216 3.774 20 5 FHBDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425420493 943866991 /nfs/dbraw/zinc/86/69/91/943866991.db2.gz MLHOPYGFGDCGKS-UHFFFAOYSA-N 1 2 350.216 3.774 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000418097245 944151543 /nfs/dbraw/zinc/15/15/43/944151543.db2.gz WSAZJKINWBHOHS-UHFFFAOYSA-N 1 2 356.369 3.730 20 5 FHBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000162674266 944477924 /nfs/dbraw/zinc/47/79/24/944477924.db2.gz QFUJHVHKPANKRG-ZDUSSCGKSA-N 1 2 373.438 3.572 20 5 FHBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000162674266 944477928 /nfs/dbraw/zinc/47/79/28/944477928.db2.gz QFUJHVHKPANKRG-ZDUSSCGKSA-N 1 2 373.438 3.572 20 5 FHBDLO Cc1ccc(-n2cc[nH+]c2)c(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)c1 ZINC000516187117 944576473 /nfs/dbraw/zinc/57/64/73/944576473.db2.gz IFQJJPPSPUAICD-UHFFFAOYSA-N 1 2 361.361 3.730 20 5 FHBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cccc2cccnc21 ZINC001270500343 944690450 /nfs/dbraw/zinc/69/04/50/944690450.db2.gz HPQYIKWYQIRYDV-UHFFFAOYSA-N 1 2 373.372 3.605 20 5 FHBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000506926987 944765346 /nfs/dbraw/zinc/76/53/46/944765346.db2.gz LIGWXKOACWOGPZ-ALCCZGGFSA-N 1 2 359.813 3.832 20 5 FHBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)Nc1cccc(Cl)c1 ZINC000506926987 944765353 /nfs/dbraw/zinc/76/53/53/944765353.db2.gz LIGWXKOACWOGPZ-ALCCZGGFSA-N 1 2 359.813 3.832 20 5 FHBDLO O=C(CCn1cc[nH+]c1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000522679805 945380528 /nfs/dbraw/zinc/38/05/28/945380528.db2.gz JGXUBFUNVGTVCF-UHFFFAOYSA-N 1 2 352.350 3.612 20 5 FHBDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000106862594 945419131 /nfs/dbraw/zinc/41/91/31/945419131.db2.gz AYYFMBRCXRSPJR-ZDUSSCGKSA-N 1 2 350.378 3.764 20 5 FHBDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000106862594 945419140 /nfs/dbraw/zinc/41/91/40/945419140.db2.gz AYYFMBRCXRSPJR-ZDUSSCGKSA-N 1 2 350.378 3.764 20 5 FHBDLO CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001126001863 945548214 /nfs/dbraw/zinc/54/82/14/945548214.db2.gz XCYBFMCXHNPEQN-HOCLYGCPSA-N 1 2 356.426 3.725 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000020954560 946775148 /nfs/dbraw/zinc/77/51/48/946775148.db2.gz IURCSCNJACSIKW-INIZCTEOSA-N 1 2 362.451 3.846 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000020954560 946775142 /nfs/dbraw/zinc/77/51/42/946775142.db2.gz IURCSCNJACSIKW-INIZCTEOSA-N 1 2 362.451 3.846 20 5 FHBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Cl)c1 ZINC000025918366 946842846 /nfs/dbraw/zinc/84/28/46/946842846.db2.gz QMHNSUHWJDSMKL-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Cl)c1 ZINC000025918366 946842859 /nfs/dbraw/zinc/84/28/59/946842859.db2.gz QMHNSUHWJDSMKL-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCC2 ZINC000444659715 947077058 /nfs/dbraw/zinc/07/70/58/947077058.db2.gz QHZXCPKBDJGWMY-OAHLLOKOSA-N 1 2 371.466 3.999 20 5 FHBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCC2 ZINC000444659715 947077063 /nfs/dbraw/zinc/07/70/63/947077063.db2.gz QHZXCPKBDJGWMY-OAHLLOKOSA-N 1 2 371.466 3.999 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](c4c(F)cccc4F)C3)nc2c1 ZINC000444685923 947087237 /nfs/dbraw/zinc/08/72/37/947087237.db2.gz BKORLXNFZXFQPV-LLVKDONJSA-N 1 2 358.348 3.739 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](c4c(F)cccc4F)C3)nc2c1 ZINC000444685923 947087228 /nfs/dbraw/zinc/08/72/28/947087228.db2.gz BKORLXNFZXFQPV-LLVKDONJSA-N 1 2 358.348 3.739 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@H]2C ZINC000444679711 947103682 /nfs/dbraw/zinc/10/36/82/947103682.db2.gz BINFIPDSXZQRSB-STQMWFEESA-N 1 2 366.421 3.988 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@H]2C ZINC000444679711 947103693 /nfs/dbraw/zinc/10/36/93/947103693.db2.gz BINFIPDSXZQRSB-STQMWFEESA-N 1 2 366.421 3.988 20 5 FHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000181834946 947375132 /nfs/dbraw/zinc/37/51/32/947375132.db2.gz VHLOMMBNVHCPDI-GFCCVEGCSA-N 1 2 356.357 3.943 20 5 FHBDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1F ZINC000121539264 947583828 /nfs/dbraw/zinc/58/38/28/947583828.db2.gz CPPLMCATFKRKDL-NSHDSACASA-N 1 2 372.356 3.643 20 5 FHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000323774080 948332179 /nfs/dbraw/zinc/33/21/79/948332179.db2.gz BWSNPMOCGCEZLI-CYBMUJFWSA-N 1 2 352.740 3.528 20 5 FHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000323774080 948332186 /nfs/dbraw/zinc/33/21/86/948332186.db2.gz BWSNPMOCGCEZLI-CYBMUJFWSA-N 1 2 352.740 3.528 20 5 FHBDLO O=C(Nc1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032058856 208023059 /nfs/dbraw/zinc/02/30/59/208023059.db2.gz KOTKQBKSEUUVJC-UHFFFAOYSA-N 1 2 374.303 3.634 20 5 FHBDLO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602627295 568007030 /nfs/dbraw/zinc/00/70/30/568007030.db2.gz QLZRSYHIRAMOEZ-MRVPVSSYSA-N 1 2 372.244 3.673 20 5 FHBDLO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)C1 ZINC000436629923 568102586 /nfs/dbraw/zinc/10/25/86/568102586.db2.gz YBFXCBWAXGGZIF-CQSZACIVSA-N 1 2 369.421 3.785 20 5 FHBDLO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)C1 ZINC000436629923 568102587 /nfs/dbraw/zinc/10/25/87/568102587.db2.gz YBFXCBWAXGGZIF-CQSZACIVSA-N 1 2 369.421 3.785 20 5 FHBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000291471867 568140340 /nfs/dbraw/zinc/14/03/40/568140340.db2.gz JHNCIRMPYNESMK-VIFPVBQESA-N 1 2 369.208 3.645 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)n1 ZINC000541935540 568258207 /nfs/dbraw/zinc/25/82/07/568258207.db2.gz XAPVZGZRIXMFLC-UHFFFAOYSA-N 1 2 366.874 3.644 20 5 FHBDLO C[C@@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000569411076 568401174 /nfs/dbraw/zinc/40/11/74/568401174.db2.gz UXDBPCGLOAPQDT-HNNXBMFYSA-N 1 2 351.410 3.668 20 5 FHBDLO CCCC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110715622 945065228 /nfs/dbraw/zinc/06/52/28/945065228.db2.gz KRLNPCYKTICOMV-ZBFHGGJFSA-N 1 2 356.426 3.869 20 5 FHBDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000161540111 937127240 /nfs/dbraw/zinc/12/72/40/937127240.db2.gz LQNXVZDOMSWZCN-ZDUSSCGKSA-N 1 2 368.393 3.813 20 5 FHBDLO Cc1cc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000070731898 927127607 /nfs/dbraw/zinc/12/76/07/927127607.db2.gz KVFPPVHFNSUOGB-UHFFFAOYSA-N 1 2 350.378 3.958 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000430221814 928283389 /nfs/dbraw/zinc/28/33/89/928283389.db2.gz UGGZXFDERZBUBB-YWZLYKJASA-N 1 2 356.422 3.874 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000430221814 928283405 /nfs/dbraw/zinc/28/34/05/928283405.db2.gz UGGZXFDERZBUBB-YWZLYKJASA-N 1 2 356.422 3.874 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000430244341 928461143 /nfs/dbraw/zinc/46/11/43/928461143.db2.gz PCZVCZCFKBJECQ-YMXBGEKHSA-N 1 2 362.451 3.534 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000430244341 928461150 /nfs/dbraw/zinc/46/11/50/928461150.db2.gz PCZVCZCFKBJECQ-YMXBGEKHSA-N 1 2 362.451 3.534 20 5 FHBDLO CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000120629638 929130286 /nfs/dbraw/zinc/13/02/86/929130286.db2.gz UHRDFLRVDZNLSX-INIZCTEOSA-N 1 2 369.421 3.581 20 5 FHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000187317965 929909533 /nfs/dbraw/zinc/90/95/33/929909533.db2.gz XFZGYRPOJZCFKV-VIFPVBQESA-N 1 2 354.179 3.742 20 5 FHBDLO O=C(Nc1cc(F)cc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177780388 930738547 /nfs/dbraw/zinc/73/85/47/930738547.db2.gz AOJBXFDWCAVIHV-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCC3)o2)cc1 ZINC000610390348 932010282 /nfs/dbraw/zinc/01/02/82/932010282.db2.gz DBEKEWWXIFLFKK-UHFFFAOYSA-N 1 2 368.368 3.953 20 5 FHBDLO C[N@H+](CCOc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000023840936 932030079 /nfs/dbraw/zinc/03/00/79/932030079.db2.gz VHBDJWXJPDWILW-UHFFFAOYSA-N 1 2 359.407 3.840 20 5 FHBDLO C[N@@H+](CCOc1ccccc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000023840936 932030086 /nfs/dbraw/zinc/03/00/86/932030086.db2.gz VHBDJWXJPDWILW-UHFFFAOYSA-N 1 2 359.407 3.840 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000581681748 932485091 /nfs/dbraw/zinc/48/50/91/932485091.db2.gz GAGKXJQCTDNAQC-UHFFFAOYSA-N 1 2 351.406 3.631 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000581681748 932485095 /nfs/dbraw/zinc/48/50/95/932485095.db2.gz GAGKXJQCTDNAQC-UHFFFAOYSA-N 1 2 351.406 3.631 20 5 FHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1cc(F)ccc1F ZINC000051286906 932958775 /nfs/dbraw/zinc/95/87/75/932958775.db2.gz GUEKWRBHRJCROV-MRXNPFEDSA-N 1 2 356.756 3.692 20 5 FHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1cc(F)ccc1F ZINC000051286906 932958779 /nfs/dbraw/zinc/95/87/79/932958779.db2.gz GUEKWRBHRJCROV-MRXNPFEDSA-N 1 2 356.756 3.692 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510520771 933177097 /nfs/dbraw/zinc/17/70/97/933177097.db2.gz LKANPJWLENEDDT-IBGZPJMESA-N 1 2 367.449 3.781 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510520771 933177098 /nfs/dbraw/zinc/17/70/98/933177098.db2.gz LKANPJWLENEDDT-IBGZPJMESA-N 1 2 367.449 3.781 20 5 FHBDLO C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510542810 933206790 /nfs/dbraw/zinc/20/67/90/933206790.db2.gz CEOOARAZGYKEMU-HUUCEWRRSA-N 1 2 356.426 3.727 20 5 FHBDLO Cc1c(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cccc1[N+](=O)[O-] ZINC000477741898 933278475 /nfs/dbraw/zinc/27/84/75/933278475.db2.gz GWLYUDKCNCNCBR-IBGZPJMESA-N 1 2 352.369 3.712 20 5 FHBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582293 933329234 /nfs/dbraw/zinc/32/92/34/933329234.db2.gz BWQLQIPDGYHDLL-MZHQLVBMSA-N 1 2 373.434 3.666 20 5 FHBDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582293 933329246 /nfs/dbraw/zinc/32/92/46/933329246.db2.gz BWQLQIPDGYHDLL-MZHQLVBMSA-N 1 2 373.434 3.666 20 5 FHBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610961078 934659941 /nfs/dbraw/zinc/65/99/41/934659941.db2.gz ZTDULBGEMLGEIE-UHFFFAOYSA-N 1 2 350.256 3.514 20 5 FHBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000561885222 934774274 /nfs/dbraw/zinc/77/42/74/934774274.db2.gz QWWCINQARILVRV-BLLLJJGKSA-N 1 2 374.828 3.665 20 5 FHBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000561885222 934774277 /nfs/dbraw/zinc/77/42/77/934774277.db2.gz QWWCINQARILVRV-BLLLJJGKSA-N 1 2 374.828 3.665 20 5 FHBDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071764 935234618 /nfs/dbraw/zinc/23/46/18/935234618.db2.gz HJHSESBCLZGXHL-OAHLLOKOSA-N 1 2 366.421 3.804 20 5 FHBDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071764 935234622 /nfs/dbraw/zinc/23/46/22/935234622.db2.gz HJHSESBCLZGXHL-OAHLLOKOSA-N 1 2 366.421 3.804 20 5 FHBDLO COc1ccc(Cl)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014462845 935324289 /nfs/dbraw/zinc/32/42/89/935324289.db2.gz YEQLEJKAACFFCK-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO Cc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC000119937450 935348965 /nfs/dbraw/zinc/34/89/65/935348965.db2.gz AXJAXHWCWOXVJV-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000127819481 935817765 /nfs/dbraw/zinc/81/77/65/935817765.db2.gz HJOMJRBBKUEFFY-UHFFFAOYSA-N 1 2 371.784 3.756 20 5 FHBDLO COc1cccc(C(F)(F)C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000582624545 935885078 /nfs/dbraw/zinc/88/50/78/935885078.db2.gz MZNZNWRRBZXAAG-ZDUSSCGKSA-N 1 2 365.380 3.701 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000582866003 936239178 /nfs/dbraw/zinc/23/91/78/936239178.db2.gz QOVXWVMYIODNOF-ZDUSSCGKSA-N 1 2 372.322 3.786 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000582866003 936239181 /nfs/dbraw/zinc/23/91/81/936239181.db2.gz QOVXWVMYIODNOF-ZDUSSCGKSA-N 1 2 372.322 3.786 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000518258521 945261786 /nfs/dbraw/zinc/26/17/86/945261786.db2.gz LEPJASJGRPVXHY-UHFFFAOYSA-N 1 2 361.348 3.881 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000518258521 945261793 /nfs/dbraw/zinc/26/17/93/945261793.db2.gz LEPJASJGRPVXHY-UHFFFAOYSA-N 1 2 361.348 3.881 20 5 FHBDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179625861 939897861 /nfs/dbraw/zinc/89/78/61/939897861.db2.gz AUQBVJSGRMAHSA-UHFFFAOYSA-N 1 2 359.451 3.696 20 5 FHBDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179625861 939897865 /nfs/dbraw/zinc/89/78/65/939897865.db2.gz AUQBVJSGRMAHSA-UHFFFAOYSA-N 1 2 359.451 3.696 20 5 FHBDLO CCc1ccccc1NC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000506775144 945292635 /nfs/dbraw/zinc/29/26/35/945292635.db2.gz VWVKPQLLPZYMCE-DHZHZOJOSA-N 1 2 353.422 3.741 20 5 FHBDLO CCc1ccccc1NC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000506775144 945292642 /nfs/dbraw/zinc/29/26/42/945292642.db2.gz VWVKPQLLPZYMCE-DHZHZOJOSA-N 1 2 353.422 3.741 20 5 FHBDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000180969316 941098356 /nfs/dbraw/zinc/09/83/56/941098356.db2.gz YFBLZVMKQCHJOO-CQSZACIVSA-N 1 2 352.394 3.619 20 5 FHBDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000180969296 941098391 /nfs/dbraw/zinc/09/83/91/941098391.db2.gz YFBLZVMKQCHJOO-AWEZNQCLSA-N 1 2 352.394 3.619 20 5 FHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000092195271 941148867 /nfs/dbraw/zinc/14/88/67/941148867.db2.gz VVCYYZAMFUVWTG-UHFFFAOYSA-N 1 2 356.422 3.524 20 5 FHBDLO COc1cnccc1[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189544317 941161083 /nfs/dbraw/zinc/16/10/83/941161083.db2.gz RSHVDCZHIHAAMU-LBPRGKRZSA-N 1 2 370.434 3.973 20 5 FHBDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2OC)o1)c1cccc([N+](=O)[O-])c1 ZINC000181542795 941548976 /nfs/dbraw/zinc/54/89/76/941548976.db2.gz NFAVPKKTAHANSG-MRXNPFEDSA-N 1 2 368.393 3.894 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000182807545 941970279 /nfs/dbraw/zinc/97/02/79/941970279.db2.gz YOJBYJLPGUSXRF-DLBZAZTESA-N 1 2 354.454 3.738 20 5 FHBDLO Cc1cc(C)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000513668595 942064830 /nfs/dbraw/zinc/06/48/30/942064830.db2.gz ARCRDHNPQXWEKR-UHFFFAOYSA-N 1 2 351.309 3.769 20 5 FHBDLO COc1ccccc1C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000072578936 942361627 /nfs/dbraw/zinc/36/16/27/942361627.db2.gz ORMBHAJYOUHLMM-UHFFFAOYSA-N 1 2 369.421 3.515 20 5 FHBDLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000072578936 942361629 /nfs/dbraw/zinc/36/16/29/942361629.db2.gz ORMBHAJYOUHLMM-UHFFFAOYSA-N 1 2 369.421 3.515 20 5 FHBDLO CC[N@H+](Cc1ccncc1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000502731016 942700560 /nfs/dbraw/zinc/70/05/60/942700560.db2.gz PXGGGIVVXPMJIB-CYBMUJFWSA-N 1 2 353.382 3.623 20 5 FHBDLO CC[N@@H+](Cc1ccncc1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000502731016 942700564 /nfs/dbraw/zinc/70/05/64/942700564.db2.gz PXGGGIVVXPMJIB-CYBMUJFWSA-N 1 2 353.382 3.623 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000514742538 943254276 /nfs/dbraw/zinc/25/42/76/943254276.db2.gz UCXVQOFVHXDMJL-UHFFFAOYSA-N 1 2 372.812 3.572 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000514742538 943254280 /nfs/dbraw/zinc/25/42/80/943254280.db2.gz UCXVQOFVHXDMJL-UHFFFAOYSA-N 1 2 372.812 3.572 20 5 FHBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCSC12CCCCC2 ZINC000514872933 943352528 /nfs/dbraw/zinc/35/25/28/943352528.db2.gz VOZNKCXHEDETOR-UHFFFAOYSA-N 1 2 372.450 3.630 20 5 FHBDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425398868 943522323 /nfs/dbraw/zinc/52/23/23/943522323.db2.gz CTJZNGHJVQMQPB-UHFFFAOYSA-N 1 2 356.245 3.754 20 5 FHBDLO Cc1ncsc1C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425398868 943522328 /nfs/dbraw/zinc/52/23/28/943522328.db2.gz CTJZNGHJVQMQPB-UHFFFAOYSA-N 1 2 356.245 3.754 20 5 FHBDLO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000425430785 943890495 /nfs/dbraw/zinc/89/04/95/943890495.db2.gz GKXUGZFLTMZXAP-ZDUSSCGKSA-N 1 2 369.215 3.736 20 5 FHBDLO C[C@]12CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000425443357 943932553 /nfs/dbraw/zinc/93/25/53/943932553.db2.gz JXHHOOYQKQPAIA-OLZOCXBDSA-N 1 2 361.186 3.834 20 5 FHBDLO C[C@]12CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000425443357 943932557 /nfs/dbraw/zinc/93/25/57/943932557.db2.gz JXHHOOYQKQPAIA-OLZOCXBDSA-N 1 2 361.186 3.834 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000105641752 944345210 /nfs/dbraw/zinc/34/52/10/944345210.db2.gz VZQOMQRHJFPSTL-UHFFFAOYSA-N 1 2 361.199 3.660 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2cnn(Cc3c[nH+]cn3Cc3ccccc3)c2)c1 ZINC000438331486 944501051 /nfs/dbraw/zinc/50/10/51/944501051.db2.gz YETWUEYTABAUKI-UHFFFAOYSA-N 1 2 359.389 3.751 20 5 FHBDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000280894606 945453256 /nfs/dbraw/zinc/45/32/56/945453256.db2.gz FHIIFXDUZSKBGO-FZMZJTMJSA-N 1 2 370.327 3.878 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000107180786 945505706 /nfs/dbraw/zinc/50/57/06/945505706.db2.gz UBIKRGKSEAAPQT-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778988 945520792 /nfs/dbraw/zinc/52/07/92/945520792.db2.gz QUHBABLTTAHISD-UHFFFAOYSA-N 1 2 370.327 3.976 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778988 945520796 /nfs/dbraw/zinc/52/07/96/945520796.db2.gz QUHBABLTTAHISD-UHFFFAOYSA-N 1 2 370.327 3.976 20 5 FHBDLO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000121215374 945713276 /nfs/dbraw/zinc/71/32/76/945713276.db2.gz UOMQSQSJDBVHQJ-MRXNPFEDSA-N 1 2 373.409 3.752 20 5 FHBDLO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000121215374 945713278 /nfs/dbraw/zinc/71/32/78/945713278.db2.gz UOMQSQSJDBVHQJ-MRXNPFEDSA-N 1 2 373.409 3.752 20 5 FHBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000063256684 945724548 /nfs/dbraw/zinc/72/45/48/945724548.db2.gz NKYLTJBPUGTJLE-UHFFFAOYSA-N 1 2 371.384 3.997 20 5 FHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000550105077 945876619 /nfs/dbraw/zinc/87/66/19/945876619.db2.gz IBQQUKXCGMFBOH-ZDUSSCGKSA-N 1 2 374.750 3.911 20 5 FHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000550105077 945876633 /nfs/dbraw/zinc/87/66/33/945876633.db2.gz IBQQUKXCGMFBOH-ZDUSSCGKSA-N 1 2 374.750 3.911 20 5 FHBDLO CC(C)(C)c1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000609884245 946418090 /nfs/dbraw/zinc/41/80/90/946418090.db2.gz IFACOKLXHOGWDO-UHFFFAOYSA-N 1 2 356.426 3.519 20 5 FHBDLO COc1cccc(NC[C@@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000475385427 946995659 /nfs/dbraw/zinc/99/56/59/946995659.db2.gz AUIRVWKOGPIVDY-AWEZNQCLSA-N 1 2 351.353 3.596 20 5 FHBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444658548 947077484 /nfs/dbraw/zinc/07/74/84/947077484.db2.gz BKGDWJMKBMQWHG-UHFFFAOYSA-N 1 2 354.410 3.890 20 5 FHBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444658548 947077495 /nfs/dbraw/zinc/07/74/95/947077495.db2.gz BKGDWJMKBMQWHG-UHFFFAOYSA-N 1 2 354.410 3.890 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184644305 948061205 /nfs/dbraw/zinc/06/12/05/948061205.db2.gz MVWARZGECNHRNW-HUUCEWRRSA-N 1 2 360.483 3.800 20 5 FHBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406709 208378845 /nfs/dbraw/zinc/37/88/45/208378845.db2.gz WJLVRTDDLNEKBR-GFCCVEGCSA-N 1 2 356.357 3.977 20 5 FHBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406709 208378853 /nfs/dbraw/zinc/37/88/53/208378853.db2.gz WJLVRTDDLNEKBR-GFCCVEGCSA-N 1 2 356.357 3.977 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000069149630 136137871 /nfs/dbraw/zinc/13/78/71/136137871.db2.gz VGASVEQTPQQQKS-UHFFFAOYSA-N 1 2 361.829 3.579 20 5 FHBDLO Cc1ccc(C)c(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451958 567961272 /nfs/dbraw/zinc/96/12/72/567961272.db2.gz DKIWGZCUJPZYPK-SFHVURJKSA-N 1 2 367.405 3.515 20 5 FHBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000568317280 568023814 /nfs/dbraw/zinc/02/38/14/568023814.db2.gz NBNSBGOAOQOYMC-AWEZNQCLSA-N 1 2 371.412 3.820 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291110285 568047993 /nfs/dbraw/zinc/04/79/93/568047993.db2.gz KJBNAHSLQYIFLT-UHFFFAOYSA-N 1 2 366.776 3.723 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000481677041 568085868 /nfs/dbraw/zinc/08/58/68/568085868.db2.gz KBCAWMPJEIBJLA-CQSZACIVSA-N 1 2 360.845 3.835 20 5 FHBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000481822153 568134709 /nfs/dbraw/zinc/13/47/09/568134709.db2.gz VAOIOQLNTQRXGP-UHFFFAOYSA-N 1 2 368.397 3.505 20 5 FHBDLO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000568821132 568228660 /nfs/dbraw/zinc/22/86/60/568228660.db2.gz ZGTNVQPNFKVLKI-UHFFFAOYSA-N 1 2 364.405 3.688 20 5 FHBDLO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000568821132 568228661 /nfs/dbraw/zinc/22/86/61/568228661.db2.gz ZGTNVQPNFKVLKI-UHFFFAOYSA-N 1 2 364.405 3.688 20 5 FHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000569128259 568285420 /nfs/dbraw/zinc/28/54/20/568285420.db2.gz HSPWLPGELKPJRW-SECBINFHSA-N 1 2 372.347 3.527 20 5 FHBDLO COCc1cc(NCCc2ccc([N+](=O)[O-])cc2)c2cc(F)ccc2[nH+]1 ZINC000569162577 568301035 /nfs/dbraw/zinc/30/10/35/568301035.db2.gz OQPFVYVKYNNQBX-UHFFFAOYSA-N 1 2 355.369 3.505 20 5 FHBDLO CC1CCC(N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC000045415435 568366343 /nfs/dbraw/zinc/36/63/43/568366343.db2.gz WTDPXTNZKXVMAX-UHFFFAOYSA-N 1 2 368.437 3.964 20 5 FHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(F)cc1 ZINC000006976622 568408276 /nfs/dbraw/zinc/40/82/76/568408276.db2.gz FWAVKSMOOMEPHY-LBPRGKRZSA-N 1 2 356.357 3.977 20 5 FHBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000006976622 568408277 /nfs/dbraw/zinc/40/82/77/568408277.db2.gz FWAVKSMOOMEPHY-LBPRGKRZSA-N 1 2 356.357 3.977 20 5 FHBDLO Cc1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)cc1[N+](=O)[O-] ZINC000569619878 936366220 /nfs/dbraw/zinc/36/62/20/936366220.db2.gz BKLCTVSQKLFUJE-UHFFFAOYSA-N 1 2 361.361 3.865 20 5 FHBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000023355439 927054445 /nfs/dbraw/zinc/05/44/45/927054445.db2.gz MCKLRLMFKMVCBL-LLVKDONJSA-N 1 2 364.348 3.933 20 5 FHBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000023355439 927054459 /nfs/dbraw/zinc/05/44/59/927054459.db2.gz MCKLRLMFKMVCBL-LLVKDONJSA-N 1 2 364.348 3.933 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000430204277 928006993 /nfs/dbraw/zinc/00/69/93/928006993.db2.gz HCCOWQHPVHZCHC-LLVKDONJSA-N 1 2 364.373 3.611 20 5 FHBDLO COc1cc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])cc1O ZINC000580638403 930959545 /nfs/dbraw/zinc/95/95/45/930959545.db2.gz UYFNBWHJKNVWFU-UHFFFAOYSA-N 1 2 372.352 3.998 20 5 FHBDLO Cc1cccn2cc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000610455304 931052224 /nfs/dbraw/zinc/05/22/24/931052224.db2.gz KVHYCASJUHOBJE-UHFFFAOYSA-N 1 2 373.800 3.569 20 5 FHBDLO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510760732 933664098 /nfs/dbraw/zinc/66/40/98/933664098.db2.gz FDISCWVVFGZZOO-HNNXBMFYSA-N 1 2 350.365 3.563 20 5 FHBDLO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510760732 933664100 /nfs/dbraw/zinc/66/41/00/933664100.db2.gz FDISCWVVFGZZOO-HNNXBMFYSA-N 1 2 350.365 3.563 20 5 FHBDLO C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451232164 935332333 /nfs/dbraw/zinc/33/23/33/935332333.db2.gz SGXZCCRXBOANRU-AWEZNQCLSA-N 1 2 356.426 3.821 20 5 FHBDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000582169242 935367482 /nfs/dbraw/zinc/36/74/82/935367482.db2.gz CDPSEJGPZBRQGZ-CQSZACIVSA-N 1 2 371.359 3.588 20 5 FHBDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000582169242 935367489 /nfs/dbraw/zinc/36/74/89/935367489.db2.gz CDPSEJGPZBRQGZ-CQSZACIVSA-N 1 2 371.359 3.588 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000277600189 935704719 /nfs/dbraw/zinc/70/47/19/935704719.db2.gz PZDOWBKKMGDXRN-UHFFFAOYSA-N 1 2 364.833 3.560 20 5 FHBDLO COc1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000051798468 935890522 /nfs/dbraw/zinc/89/05/22/935890522.db2.gz BZJVPOHYJGJIEY-SFHVURJKSA-N 1 2 356.422 3.785 20 5 FHBDLO COc1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000051798468 935890526 /nfs/dbraw/zinc/89/05/26/935890526.db2.gz BZJVPOHYJGJIEY-SFHVURJKSA-N 1 2 356.422 3.785 20 5 FHBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000162208992 938840994 /nfs/dbraw/zinc/84/09/94/938840994.db2.gz RJUZZRYAHCVOOV-STQMWFEESA-N 1 2 361.471 3.697 20 5 FHBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000162208992 938840997 /nfs/dbraw/zinc/84/09/97/938840997.db2.gz RJUZZRYAHCVOOV-STQMWFEESA-N 1 2 361.471 3.697 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065729409 939018326 /nfs/dbraw/zinc/01/83/26/939018326.db2.gz ZKFNQYSARZBMMB-UHFFFAOYSA-N 1 2 365.324 3.653 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3csc(C4CCCC4)n3)C2)nc1 ZINC000173466694 940619959 /nfs/dbraw/zinc/61/99/59/940619959.db2.gz ODPLFCVIOPELMF-AWEZNQCLSA-N 1 2 373.482 3.790 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3csc(C4CCCC4)n3)C2)nc1 ZINC000173466694 940619960 /nfs/dbraw/zinc/61/99/60/940619960.db2.gz ODPLFCVIOPELMF-AWEZNQCLSA-N 1 2 373.482 3.790 20 5 FHBDLO COc1cc(C[NH2+]Cc2ccc(Cl)cc2F)c([N+](=O)[O-])cc1OC ZINC000189195120 941153815 /nfs/dbraw/zinc/15/38/15/941153815.db2.gz AESNRPGLIUJJMO-UHFFFAOYSA-N 1 2 354.765 3.694 20 5 FHBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(O)c1 ZINC000181534869 941530870 /nfs/dbraw/zinc/53/08/70/941530870.db2.gz SEVMWRIXGMCKFW-NEPJUHHUSA-N 1 2 354.366 3.762 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)n1 ZINC000377437022 941722277 /nfs/dbraw/zinc/72/22/77/941722277.db2.gz WOSQVNSLIVGUAX-CZUORRHYSA-N 1 2 365.393 3.588 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC000473527043 941870482 /nfs/dbraw/zinc/87/04/82/941870482.db2.gz STFIXERMRWXRPE-UHFFFAOYSA-N 1 2 352.394 3.800 20 5 FHBDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000513374670 941883602 /nfs/dbraw/zinc/88/36/02/941883602.db2.gz BHTACVRNJQDXRA-CQSZACIVSA-N 1 2 360.385 3.786 20 5 FHBDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000513374670 941883608 /nfs/dbraw/zinc/88/36/08/941883608.db2.gz BHTACVRNJQDXRA-CQSZACIVSA-N 1 2 360.385 3.786 20 5 FHBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000119643975 941893422 /nfs/dbraw/zinc/89/34/22/941893422.db2.gz LADVEVFPHNZIEA-LLVKDONJSA-N 1 2 368.842 3.503 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])cc2C(F)(F)F)c1C ZINC000413093829 942284215 /nfs/dbraw/zinc/28/42/15/942284215.db2.gz OQEJAAKBPRWQBG-UHFFFAOYSA-N 1 2 370.331 3.665 20 5 FHBDLO CC[C@@H]([NH2+]Cc1nc(-c2ccccc2OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000378462096 942795169 /nfs/dbraw/zinc/79/51/69/942795169.db2.gz LNFGYNCSWJLBCH-MRXNPFEDSA-N 1 2 368.393 3.894 20 5 FHBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000514501608 943066527 /nfs/dbraw/zinc/06/65/27/943066527.db2.gz DSMUPXBXKQOKDE-PVAVHDDUSA-N 1 2 368.437 3.821 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000503260929 943090935 /nfs/dbraw/zinc/09/09/35/943090935.db2.gz RNNCZBCZOBREEJ-UHFFFAOYSA-N 1 2 359.426 3.856 20 5 FHBDLO C[C@](O)(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)C(F)(F)F ZINC000545932317 943321603 /nfs/dbraw/zinc/32/16/03/943321603.db2.gz WPIXVMQATCGYHJ-AWEZNQCLSA-N 1 2 366.767 3.774 20 5 FHBDLO CNc1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1[N+](=O)[O-] ZINC000514982386 943431877 /nfs/dbraw/zinc/43/18/77/943431877.db2.gz XRWPETKEQMAVSB-UHFFFAOYSA-N 1 2 351.366 3.587 20 5 FHBDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000424322178 943843934 /nfs/dbraw/zinc/84/39/34/943843934.db2.gz HZYLIXDPBXYIHA-HZMBPMFUSA-N 1 2 361.423 3.566 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000437507924 943887307 /nfs/dbraw/zinc/88/73/07/943887307.db2.gz NVLZNJQNWOUKJR-UHFFFAOYSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000437507924 943887319 /nfs/dbraw/zinc/88/73/19/943887319.db2.gz NVLZNJQNWOUKJR-UHFFFAOYSA-N 1 2 359.348 3.506 20 5 FHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437583297 943945363 /nfs/dbraw/zinc/94/53/63/943945363.db2.gz OWQHIZGIDUKCIR-UHFFFAOYSA-N 1 2 354.385 3.537 20 5 FHBDLO COc1ccc(Br)cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000015296699 944539954 /nfs/dbraw/zinc/53/99/54/944539954.db2.gz KOQKQQALKBSZDM-UHFFFAOYSA-N 1 2 365.227 3.998 20 5 FHBDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000015296699 944539959 /nfs/dbraw/zinc/53/99/59/944539959.db2.gz KOQKQQALKBSZDM-UHFFFAOYSA-N 1 2 365.227 3.998 20 5 FHBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053717741 944747493 /nfs/dbraw/zinc/74/74/93/944747493.db2.gz QXWDFVRWMCFMBD-KRWDZBQOSA-N 1 2 373.384 3.518 20 5 FHBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053717741 944747498 /nfs/dbraw/zinc/74/74/98/944747498.db2.gz QXWDFVRWMCFMBD-KRWDZBQOSA-N 1 2 373.384 3.518 20 5 FHBDLO CC(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000439765109 944949095 /nfs/dbraw/zinc/94/90/95/944949095.db2.gz KXSDRSHAJGDWRF-UHFFFAOYSA-N 1 2 364.405 3.834 20 5 FHBDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000106862593 945417052 /nfs/dbraw/zinc/41/70/52/945417052.db2.gz AYYFMBRCXRSPJR-CYBMUJFWSA-N 1 2 350.378 3.764 20 5 FHBDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000106862593 945417059 /nfs/dbraw/zinc/41/70/59/945417059.db2.gz AYYFMBRCXRSPJR-CYBMUJFWSA-N 1 2 350.378 3.764 20 5 FHBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc([N+](=O)[O-])c1 ZINC000107178257 945511246 /nfs/dbraw/zinc/51/12/46/945511246.db2.gz CLZQCHBOSWKDHJ-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169394 946016014 /nfs/dbraw/zinc/01/60/14/946016014.db2.gz RJTDYAYWRNMEPY-FZKQIMNGSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000444169394 946016024 /nfs/dbraw/zinc/01/60/24/946016024.db2.gz RJTDYAYWRNMEPY-FZKQIMNGSA-N 1 2 357.385 3.756 20 5 FHBDLO CCc1ccc([C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380002 946554356 /nfs/dbraw/zinc/55/43/56/946554356.db2.gz ASSSQOFNNAWBIR-CVEARBPZSA-N 1 2 372.343 3.743 20 5 FHBDLO COc1ccc(Br)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000112017728 946602897 /nfs/dbraw/zinc/60/28/97/946602897.db2.gz XDDRLHHJXSYZLK-UHFFFAOYSA-N 1 2 351.200 3.656 20 5 FHBDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677956 947101392 /nfs/dbraw/zinc/10/13/92/947101392.db2.gz XMMQGCFXASZCLK-HNNXBMFYSA-N 1 2 365.437 3.572 20 5 FHBDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677956 947101388 /nfs/dbraw/zinc/10/13/88/947101388.db2.gz XMMQGCFXASZCLK-HNNXBMFYSA-N 1 2 365.437 3.572 20 5 FHBDLO CC(C)c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000428396400 947646578 /nfs/dbraw/zinc/64/65/78/947646578.db2.gz FLKNWDMOPNWQFX-UHFFFAOYSA-N 1 2 369.469 3.641 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000184604226 947835304 /nfs/dbraw/zinc/83/53/04/947835304.db2.gz UZJGEYWNUNDYKR-UHFFFAOYSA-N 1 2 358.398 3.588 20 5 FHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000441480968 947903889 /nfs/dbraw/zinc/90/38/89/947903889.db2.gz LQVIBTITSYYXSL-OAHLLOKOSA-N 1 2 370.434 3.641 20 5 FHBDLO COc1ccc2nc(C[NH2+]Cc3cc([N+](=O)[O-])ccc3OC)sc2c1 ZINC000473998917 948426453 /nfs/dbraw/zinc/42/64/53/948426453.db2.gz GEAHVHRPJOPSIO-UHFFFAOYSA-N 1 2 359.407 3.512 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CC(F)F)CC2)s1 ZINC000512181660 948704665 /nfs/dbraw/zinc/70/46/65/948704665.db2.gz PPDIANMEFWBGJV-UHFFFAOYSA-N 1 2 367.421 3.706 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536487318 948734355 /nfs/dbraw/zinc/73/43/55/948734355.db2.gz ZIQBQKLLWDFXGZ-UHFFFAOYSA-N 1 2 365.324 3.653 20 5 FHBDLO O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000568338199 568026268 /nfs/dbraw/zinc/02/62/68/568026268.db2.gz WCIVBMPPZFKAQT-KRWDZBQOSA-N 1 2 372.446 3.503 20 5 FHBDLO O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000568338199 568026269 /nfs/dbraw/zinc/02/62/69/568026269.db2.gz WCIVBMPPZFKAQT-KRWDZBQOSA-N 1 2 372.446 3.503 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000481995556 568221751 /nfs/dbraw/zinc/22/17/51/568221751.db2.gz YUDVEVJJVOSSNW-AWEZNQCLSA-N 1 2 360.845 3.835 20 5 FHBDLO CCc1nc(C)c(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000291732108 568283290 /nfs/dbraw/zinc/28/32/90/568283290.db2.gz JQTCBZRBGNCIFW-UHFFFAOYSA-N 1 2 358.423 3.867 20 5 FHBDLO COc1cccc([N+](=O)[O-])c1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000569646875 568411171 /nfs/dbraw/zinc/41/11/71/568411171.db2.gz UFACRSPXKWYGBL-UHFFFAOYSA-N 1 2 352.394 3.864 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1 ZINC000033242883 568471359 /nfs/dbraw/zinc/47/13/59/568471359.db2.gz VRRDEGCYBWLNSW-QGZVFWFLSA-N 1 2 362.389 3.758 20 5 FHBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007367875 568503281 /nfs/dbraw/zinc/50/32/81/568503281.db2.gz WSGGEDJIRQMTKM-UHFFFAOYSA-N 1 2 361.829 3.895 20 5 FHBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007367875 568503282 /nfs/dbraw/zinc/50/32/82/568503282.db2.gz WSGGEDJIRQMTKM-UHFFFAOYSA-N 1 2 361.829 3.895 20 5 FHBDLO C[C@H](C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000570904506 568639818 /nfs/dbraw/zinc/63/98/18/568639818.db2.gz GFHTWARRDNLRHS-ZDUSSCGKSA-N 1 2 368.368 3.794 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000430208592 928074794 /nfs/dbraw/zinc/07/47/94/928074794.db2.gz PFFOZTFXGGPHKP-UHFFFAOYSA-N 1 2 371.437 3.950 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000430208592 928074807 /nfs/dbraw/zinc/07/48/07/928074807.db2.gz PFFOZTFXGGPHKP-UHFFFAOYSA-N 1 2 371.437 3.950 20 5 FHBDLO COc1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OC(F)F ZINC000536005047 929809923 /nfs/dbraw/zinc/80/99/23/929809923.db2.gz UGMRPISNWKIBTR-UHFFFAOYSA-N 1 2 364.348 3.763 20 5 FHBDLO COc1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)ccc1OC(F)F ZINC000536005047 929809932 /nfs/dbraw/zinc/80/99/32/929809932.db2.gz UGMRPISNWKIBTR-UHFFFAOYSA-N 1 2 364.348 3.763 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000579504286 930399061 /nfs/dbraw/zinc/39/90/61/930399061.db2.gz RGKZLKOCEBVRLT-UHFFFAOYSA-N 1 2 351.406 3.631 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000579504286 930399067 /nfs/dbraw/zinc/39/90/67/930399067.db2.gz RGKZLKOCEBVRLT-UHFFFAOYSA-N 1 2 351.406 3.631 20 5 FHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119324619 931211709 /nfs/dbraw/zinc/21/17/09/931211709.db2.gz RUJONZMMFBXGJE-UHFFFAOYSA-N 1 2 374.759 3.503 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000537847390 931319766 /nfs/dbraw/zinc/31/97/66/931319766.db2.gz QXIFJLFBNJYARN-UHFFFAOYSA-N 1 2 370.380 3.794 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(F)c1 ZINC000537847390 931319779 /nfs/dbraw/zinc/31/97/79/931319779.db2.gz QXIFJLFBNJYARN-UHFFFAOYSA-N 1 2 370.380 3.794 20 5 FHBDLO Cc1ccc([C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000177869806 931394552 /nfs/dbraw/zinc/39/45/52/931394552.db2.gz XVLQZNGNQAEJMK-CQSZACIVSA-N 1 2 350.378 3.580 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933246771 931971772 /nfs/dbraw/zinc/97/17/72/931971772.db2.gz QXOICQZVEHVMDP-AWEZNQCLSA-N 1 2 358.291 3.576 20 5 FHBDLO C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000127342570 932886320 /nfs/dbraw/zinc/88/63/20/932886320.db2.gz JZAMMTIZYLHQQQ-ABAIWWIYSA-N 1 2 363.805 3.560 20 5 FHBDLO Cc1c(C[N@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)cccc1[N+](=O)[O-] ZINC000548349965 933066417 /nfs/dbraw/zinc/06/64/17/933066417.db2.gz FVXUOVDEUPHLNO-IBGZPJMESA-N 1 2 354.454 3.853 20 5 FHBDLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc3c(n2C)CCCC3)cccc1[N+](=O)[O-] ZINC000548349965 933066423 /nfs/dbraw/zinc/06/64/23/933066423.db2.gz FVXUOVDEUPHLNO-IBGZPJMESA-N 1 2 354.454 3.853 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)nc2c1 ZINC000610581419 933318375 /nfs/dbraw/zinc/31/83/75/933318375.db2.gz ZUMLKBJGWKGZJI-HNNXBMFYSA-N 1 2 367.361 3.802 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)nc2c1 ZINC000610581419 933318388 /nfs/dbraw/zinc/31/83/88/933318388.db2.gz ZUMLKBJGWKGZJI-HNNXBMFYSA-N 1 2 367.361 3.802 20 5 FHBDLO Cc1noc(C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2)n1 ZINC000510812938 933783867 /nfs/dbraw/zinc/78/38/67/933783867.db2.gz SOFKUYAGJCEZLB-KRWDZBQOSA-N 1 2 374.347 3.638 20 5 FHBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610756130 934105427 /nfs/dbraw/zinc/10/54/27/934105427.db2.gz YKMHNKUTMVEYAL-CVEARBPZSA-N 1 2 361.467 3.748 20 5 FHBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610756130 934105428 /nfs/dbraw/zinc/10/54/28/934105428.db2.gz YKMHNKUTMVEYAL-CVEARBPZSA-N 1 2 361.467 3.748 20 5 FHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610763307 934122406 /nfs/dbraw/zinc/12/24/06/934122406.db2.gz DOKYNAJNVWSSKE-CYBMUJFWSA-N 1 2 352.406 3.678 20 5 FHBDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610763307 934122408 /nfs/dbraw/zinc/12/24/08/934122408.db2.gz DOKYNAJNVWSSKE-CYBMUJFWSA-N 1 2 352.406 3.678 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000510957376 934225313 /nfs/dbraw/zinc/22/53/13/934225313.db2.gz FVSHFBIBVTUDSR-LBPRGKRZSA-N 1 2 374.466 3.844 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000510957376 934225315 /nfs/dbraw/zinc/22/53/15/934225315.db2.gz FVSHFBIBVTUDSR-LBPRGKRZSA-N 1 2 374.466 3.844 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccn1Cc1ccccc1 ZINC000511092053 935393735 /nfs/dbraw/zinc/39/37/35/935393735.db2.gz NXSXETCLAPAJMO-UHFFFAOYSA-N 1 2 350.422 3.514 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccn1Cc1ccccc1 ZINC000511092053 935393741 /nfs/dbraw/zinc/39/37/41/935393741.db2.gz NXSXETCLAPAJMO-UHFFFAOYSA-N 1 2 350.422 3.514 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000511112217 935631297 /nfs/dbraw/zinc/63/12/97/935631297.db2.gz YGFYILRKSNFJSY-AWEZNQCLSA-N 1 2 355.394 3.613 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000511112217 935631300 /nfs/dbraw/zinc/63/13/00/935631300.db2.gz YGFYILRKSNFJSY-AWEZNQCLSA-N 1 2 355.394 3.613 20 5 FHBDLO COc1cc(C[NH2+][C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000612461854 936250732 /nfs/dbraw/zinc/25/07/32/936250732.db2.gz LSSUBOGDAWCETD-QMMMGPOBSA-N 1 2 371.340 3.660 20 5 FHBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)cc1OC(F)F ZINC000091506311 936294440 /nfs/dbraw/zinc/29/44/40/936294440.db2.gz IZVMUSHSKFSCGO-UHFFFAOYSA-N 1 2 360.320 3.994 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178716107 936303761 /nfs/dbraw/zinc/30/37/61/936303761.db2.gz QLMIDPYIVMCOOU-UHFFFAOYSA-N 1 2 362.389 3.585 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(F)cc3c2OCOC3)C2CC2)cc1 ZINC000179520789 939876769 /nfs/dbraw/zinc/87/67/69/939876769.db2.gz BTPPYEAHUMPJJM-UHFFFAOYSA-N 1 2 358.369 3.765 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(F)cc3c2OCOC3)C2CC2)cc1 ZINC000179520789 939876772 /nfs/dbraw/zinc/87/67/72/939876772.db2.gz BTPPYEAHUMPJJM-UHFFFAOYSA-N 1 2 358.369 3.765 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179618977 939895800 /nfs/dbraw/zinc/89/58/00/939895800.db2.gz BJCCOKFNMJJNLJ-UHFFFAOYSA-N 1 2 362.389 3.585 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000173232375 940598536 /nfs/dbraw/zinc/59/85/36/940598536.db2.gz VNRKAOADPLKGSC-SFHVURJKSA-N 1 2 357.385 3.818 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000173232375 940598540 /nfs/dbraw/zinc/59/85/40/940598540.db2.gz VNRKAOADPLKGSC-SFHVURJKSA-N 1 2 357.385 3.818 20 5 FHBDLO O=C(C[N@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053128503 940848407 /nfs/dbraw/zinc/84/84/07/940848407.db2.gz RFJZHJPQSTVDLQ-UHFFFAOYSA-N 1 2 359.813 3.851 20 5 FHBDLO O=C(C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000053128503 940848410 /nfs/dbraw/zinc/84/84/10/940848410.db2.gz RFJZHJPQSTVDLQ-UHFFFAOYSA-N 1 2 359.813 3.851 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000181337289 941124649 /nfs/dbraw/zinc/12/46/49/941124649.db2.gz IEWKOJZBFWVPDB-GJZGRUSLSA-N 1 2 351.410 3.896 20 5 FHBDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000189749085 941271170 /nfs/dbraw/zinc/27/11/70/941271170.db2.gz YTZJFIAUNAFQCN-OAHLLOKOSA-N 1 2 363.439 3.584 20 5 FHBDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2csc(C)n2)c([N+](=O)[O-])c1 ZINC000189749085 941271175 /nfs/dbraw/zinc/27/11/75/941271175.db2.gz YTZJFIAUNAFQCN-OAHLLOKOSA-N 1 2 363.439 3.584 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178833725 941311604 /nfs/dbraw/zinc/31/16/04/941311604.db2.gz DICJGCFCDBMCLI-UHFFFAOYSA-N 1 2 362.389 3.585 20 5 FHBDLO NC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000091858161 941767001 /nfs/dbraw/zinc/76/70/01/941767001.db2.gz LQFNSCBAOQJXEX-UHFFFAOYSA-N 1 2 371.824 3.636 20 5 FHBDLO NC(=O)c1ccc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000091858161 941767005 /nfs/dbraw/zinc/76/70/05/941767005.db2.gz LQFNSCBAOQJXEX-UHFFFAOYSA-N 1 2 371.824 3.636 20 5 FHBDLO O=C1CCCN1C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119657230 941896268 /nfs/dbraw/zinc/89/62/68/941896268.db2.gz NCRDPRCUMPEYCH-KRWDZBQOSA-N 1 2 373.840 3.702 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000182807600 941970402 /nfs/dbraw/zinc/97/04/02/941970402.db2.gz YOJBYJLPGUSXRF-SJORKVTESA-N 1 2 354.454 3.738 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000103145330 942224103 /nfs/dbraw/zinc/22/41/03/942224103.db2.gz JXXDAQGQGITYGK-UHFFFAOYSA-N 1 2 368.393 3.594 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000103145330 942224108 /nfs/dbraw/zinc/22/41/08/942224108.db2.gz JXXDAQGQGITYGK-UHFFFAOYSA-N 1 2 368.393 3.594 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160231 942835203 /nfs/dbraw/zinc/83/52/03/942835203.db2.gz NZWIVKWZLAYMAS-RISCZKNCSA-N 1 2 373.375 3.832 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160231 942835207 /nfs/dbraw/zinc/83/52/07/942835207.db2.gz NZWIVKWZLAYMAS-RISCZKNCSA-N 1 2 373.375 3.832 20 5 FHBDLO CCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1F ZINC000502921882 942857418 /nfs/dbraw/zinc/85/74/18/942857418.db2.gz YYNCLVQJQDGCIC-UHFFFAOYSA-N 1 2 354.341 3.734 20 5 FHBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Cl)cc1 ZINC000016590317 942880774 /nfs/dbraw/zinc/88/07/74/942880774.db2.gz SRGJUEIVVCVYFS-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(Cl)cc1 ZINC000016590317 942880778 /nfs/dbraw/zinc/88/07/78/942880778.db2.gz SRGJUEIVVCVYFS-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000514501607 943066979 /nfs/dbraw/zinc/06/69/79/943066979.db2.gz DSMUPXBXKQOKDE-HYVNUMGLSA-N 1 2 368.437 3.821 20 5 FHBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000505585049 943092184 /nfs/dbraw/zinc/09/21/84/943092184.db2.gz KINAAQYRODLNGD-UHFFFAOYSA-N 1 2 360.483 3.671 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)CCCC2 ZINC000417324544 943515441 /nfs/dbraw/zinc/51/54/41/943515441.db2.gz AJKVMSLLHWHLAS-HNNXBMFYSA-N 1 2 366.343 3.961 20 5 FHBDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504575917 943689712 /nfs/dbraw/zinc/68/97/12/943689712.db2.gz TVUNOQXXTIXMJM-MRXNPFEDSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504575917 943689717 /nfs/dbraw/zinc/68/97/17/943689717.db2.gz TVUNOQXXTIXMJM-MRXNPFEDSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1cc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1F ZINC000436078525 944011517 /nfs/dbraw/zinc/01/15/17/944011517.db2.gz QXHLKGBHJPAMIT-UHFFFAOYSA-N 1 2 368.368 3.500 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000559863744 944023071 /nfs/dbraw/zinc/02/30/71/944023071.db2.gz LXGYNYAFXULEND-QWRGUYRKSA-N 1 2 365.231 3.868 20 5 FHBDLO CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505067444 944026325 /nfs/dbraw/zinc/02/63/25/944026325.db2.gz CBBLBNGMMDRQNM-GOEBONIOSA-N 1 2 356.426 3.725 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000436423828 944296774 /nfs/dbraw/zinc/29/67/74/944296774.db2.gz AWKXFHNJLKFFNQ-ACJLOTCBSA-N 1 2 357.385 3.532 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000436423828 944296781 /nfs/dbraw/zinc/29/67/81/944296781.db2.gz AWKXFHNJLKFFNQ-ACJLOTCBSA-N 1 2 357.385 3.532 20 5 FHBDLO CN(CCC1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000506204531 944494467 /nfs/dbraw/zinc/49/44/67/944494467.db2.gz FDOAHLMSPWJHAO-UHFFFAOYSA-N 1 2 356.426 3.823 20 5 FHBDLO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000516142796 944530466 /nfs/dbraw/zinc/53/04/66/944530466.db2.gz DVMARQCVSCSPCG-UHFFFAOYSA-N 1 2 372.381 3.894 20 5 FHBDLO C[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438501888 944699490 /nfs/dbraw/zinc/69/94/90/944699490.db2.gz UQHRYGIYRGFQTB-LJQANCHMSA-N 1 2 373.840 3.850 20 5 FHBDLO C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438501888 944699496 /nfs/dbraw/zinc/69/94/96/944699496.db2.gz UQHRYGIYRGFQTB-LJQANCHMSA-N 1 2 373.840 3.850 20 5 FHBDLO COc1cc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184405161 945644799 /nfs/dbraw/zinc/64/47/99/945644799.db2.gz CGADPRSEKIQVOF-HNNXBMFYSA-N 1 2 351.403 3.748 20 5 FHBDLO C[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438501886 946357983 /nfs/dbraw/zinc/35/79/83/946357983.db2.gz UQHRYGIYRGFQTB-IBGZPJMESA-N 1 2 373.840 3.850 20 5 FHBDLO C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000438501886 946357997 /nfs/dbraw/zinc/35/79/97/946357997.db2.gz UQHRYGIYRGFQTB-IBGZPJMESA-N 1 2 373.840 3.850 20 5 FHBDLO CCc1ccc([C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544380005 946554415 /nfs/dbraw/zinc/55/44/15/946554415.db2.gz ASSSQOFNNAWBIR-JKSUJKDBSA-N 1 2 372.343 3.743 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@@H]2C ZINC000444679708 947103821 /nfs/dbraw/zinc/10/38/21/947103821.db2.gz BINFIPDSXZQRSB-CHWSQXEVSA-N 1 2 366.421 3.988 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@@H]2C ZINC000444679708 947103827 /nfs/dbraw/zinc/10/38/27/947103827.db2.gz BINFIPDSXZQRSB-CHWSQXEVSA-N 1 2 366.421 3.988 20 5 FHBDLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000444741458 947177586 /nfs/dbraw/zinc/17/75/86/947177586.db2.gz URYUXWZHHQWWKA-UHFFFAOYSA-N 1 2 365.792 3.766 20 5 FHBDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000444741458 947177589 /nfs/dbraw/zinc/17/75/89/947177589.db2.gz URYUXWZHHQWWKA-UHFFFAOYSA-N 1 2 365.792 3.766 20 5 FHBDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000523437966 947265938 /nfs/dbraw/zinc/26/59/38/947265938.db2.gz CBCGDIKDEDGEJG-QGZVFWFLSA-N 1 2 362.380 3.541 20 5 FHBDLO CCc1onc(C)c1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897336917 947558901 /nfs/dbraw/zinc/55/89/01/947558901.db2.gz RJRFAEBXZMXAHQ-UHFFFAOYSA-N 1 2 360.233 3.567 20 5 FHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441493536 948022061 /nfs/dbraw/zinc/02/20/61/948022061.db2.gz SZZKDHNNNGIMSK-IBGZPJMESA-N 1 2 364.405 3.579 20 5 FHBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000106877556 948330990 /nfs/dbraw/zinc/33/09/90/948330990.db2.gz UYWTYZLKGHSECM-GFCCVEGCSA-N 1 2 362.455 3.608 20 5 FHBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000106877556 948330999 /nfs/dbraw/zinc/33/09/99/948330999.db2.gz UYWTYZLKGHSECM-GFCCVEGCSA-N 1 2 362.455 3.608 20 5 FHBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359875641 210193561 /nfs/dbraw/zinc/19/35/61/210193561.db2.gz NSYBOFRJRZKDCF-PXAZEXFGSA-N 1 2 374.828 3.665 20 5 FHBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359875641 210193562 /nfs/dbraw/zinc/19/35/62/210193562.db2.gz NSYBOFRJRZKDCF-PXAZEXFGSA-N 1 2 374.828 3.665 20 5 FHBDLO CC(C)CNC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246536 210079759 /nfs/dbraw/zinc/07/97/59/210079759.db2.gz VDYTXKRRIZNHQM-UHFFFAOYSA-N 1 2 364.474 3.900 20 5 FHBDLO O=C(Nc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014825687 211102552 /nfs/dbraw/zinc/10/25/52/211102552.db2.gz MCQIVLPADHKEDF-UHFFFAOYSA-N 1 2 365.374 3.643 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000051423652 567879139 /nfs/dbraw/zinc/87/91/39/567879139.db2.gz YEKOOPJPZGOUJJ-UHFFFAOYSA-N 1 2 355.188 3.591 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000051423652 567879141 /nfs/dbraw/zinc/87/91/41/567879141.db2.gz YEKOOPJPZGOUJJ-UHFFFAOYSA-N 1 2 355.188 3.591 20 5 FHBDLO Cc1cc(C)cc(OC[C@@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451927 567961440 /nfs/dbraw/zinc/96/14/40/567961440.db2.gz VGUOXCOUFBAROZ-SFHVURJKSA-N 1 2 367.405 3.515 20 5 FHBDLO CC(C)(CCc1noc(-c2cccc(Oc3cc[nH+]cc3)c2)n1)[N+](=O)[O-] ZINC000291107322 568048153 /nfs/dbraw/zinc/04/81/53/568048153.db2.gz SFXLJTKXMFVHAJ-UHFFFAOYSA-N 1 2 354.366 3.912 20 5 FHBDLO Cc1nnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1 ZINC000541884655 568074344 /nfs/dbraw/zinc/07/43/44/568074344.db2.gz NANDTEGXBBHHLN-UHFFFAOYSA-N 1 2 364.814 3.958 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000481904753 568180313 /nfs/dbraw/zinc/18/03/13/568180313.db2.gz MXNAMJPHBHSHAA-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO O=C(N[C@H](c1ccccc1)C(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000481959466 568196914 /nfs/dbraw/zinc/19/69/14/568196914.db2.gz GTTKYBOEPSADIH-MRXNPFEDSA-N 1 2 372.331 3.517 20 5 FHBDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000024887448 568216995 /nfs/dbraw/zinc/21/69/95/568216995.db2.gz BQPQMDNDHCMLIG-GFCCVEGCSA-N 1 2 360.439 3.536 20 5 FHBDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000024887448 568216996 /nfs/dbraw/zinc/21/69/96/568216996.db2.gz BQPQMDNDHCMLIG-GFCCVEGCSA-N 1 2 360.439 3.536 20 5 FHBDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000568895616 568246185 /nfs/dbraw/zinc/24/61/85/568246185.db2.gz KGRZNNXOOOYTLB-CYBMUJFWSA-N 1 2 367.409 3.905 20 5 FHBDLO C[C@@H](C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000570904505 568639509 /nfs/dbraw/zinc/63/95/09/568639509.db2.gz GFHTWARRDNLRHS-CYBMUJFWSA-N 1 2 368.368 3.794 20 5 FHBDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610434278 930531989 /nfs/dbraw/zinc/53/19/89/930531989.db2.gz SQMBMOFVQQGHEH-ZMSDIMECSA-N 1 2 368.437 3.869 20 5 FHBDLO Cc1cc(C)c(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000097040192 932280149 /nfs/dbraw/zinc/28/01/49/932280149.db2.gz KKIBYSDDNTYLHM-UHFFFAOYSA-N 1 2 364.199 3.930 20 5 FHBDLO Cc1ccc(C[C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000126739337 932418172 /nfs/dbraw/zinc/41/81/72/932418172.db2.gz MOAVZQHVNOXFBO-LBPRGKRZSA-N 1 2 370.434 3.511 20 5 FHBDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661364 932836599 /nfs/dbraw/zinc/83/65/99/932836599.db2.gz DLVIPOHQEJKRMR-CHWSQXEVSA-N 1 2 367.421 3.612 20 5 FHBDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661364 932836609 /nfs/dbraw/zinc/83/66/09/932836609.db2.gz DLVIPOHQEJKRMR-CHWSQXEVSA-N 1 2 367.421 3.612 20 5 FHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1c(F)cccc1F ZINC000051287073 932959309 /nfs/dbraw/zinc/95/93/09/932959309.db2.gz MFUVUHPGYNLPFY-HNNXBMFYSA-N 1 2 356.756 3.692 20 5 FHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1c(F)cccc1F ZINC000051287073 932959311 /nfs/dbraw/zinc/95/93/11/932959311.db2.gz MFUVUHPGYNLPFY-HNNXBMFYSA-N 1 2 356.756 3.692 20 5 FHBDLO CC(C)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC001167497380 934586806 /nfs/dbraw/zinc/58/68/06/934586806.db2.gz XHXVAPOXIRBDGO-CQSZACIVSA-N 1 2 359.289 3.931 20 5 FHBDLO CC(C)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCS1 ZINC001167497380 934586811 /nfs/dbraw/zinc/58/68/11/934586811.db2.gz XHXVAPOXIRBDGO-CQSZACIVSA-N 1 2 359.289 3.931 20 5 FHBDLO CNc1c(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cccc1[N+](=O)[O-] ZINC000478009597 934732132 /nfs/dbraw/zinc/73/21/32/934732132.db2.gz JTVRBTOIVAMCRX-UHFFFAOYSA-N 1 2 351.366 3.587 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000277899208 936119492 /nfs/dbraw/zinc/11/94/92/936119492.db2.gz DYEQKJOVXCDHNS-HNNXBMFYSA-N 1 2 369.421 3.549 20 5 FHBDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065968768 940129566 /nfs/dbraw/zinc/12/95/66/940129566.db2.gz QDFBYVIWTKKKPY-CQSZACIVSA-N 1 2 361.392 3.752 20 5 FHBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612543309 940129715 /nfs/dbraw/zinc/12/97/15/940129715.db2.gz JFSKJFBFDAIWJP-UHFFFAOYSA-N 1 2 350.256 3.514 20 5 FHBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000573341765 940137023 /nfs/dbraw/zinc/13/70/23/940137023.db2.gz RANLLDREGKCBNV-CABCVRRESA-N 1 2 358.829 3.802 20 5 FHBDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000573341765 940137024 /nfs/dbraw/zinc/13/70/24/940137024.db2.gz RANLLDREGKCBNV-CABCVRRESA-N 1 2 358.829 3.802 20 5 FHBDLO CC(C)c1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000365377762 940140467 /nfs/dbraw/zinc/14/04/67/940140467.db2.gz IJRYGIBULBJCAA-UHFFFAOYSA-N 1 2 356.426 3.523 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](c4[nH]cc[nH+]4)C3)cs2)c1 ZINC000092071448 940317482 /nfs/dbraw/zinc/31/74/82/940317482.db2.gz KVHXUEOIYNNPFI-CQSZACIVSA-N 1 2 369.450 3.821 20 5 FHBDLO COc1cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000613384166 940659263 /nfs/dbraw/zinc/65/92/63/940659263.db2.gz UBYPWUPKTHKSHP-ONGXEEELSA-N 1 2 350.312 3.905 20 5 FHBDLO COc1cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000613384166 940659264 /nfs/dbraw/zinc/65/92/64/940659264.db2.gz UBYPWUPKTHKSHP-ONGXEEELSA-N 1 2 350.312 3.905 20 5 FHBDLO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1C ZINC000452046095 940943499 /nfs/dbraw/zinc/94/34/99/940943499.db2.gz VEKKUOMWUVYMIB-UHFFFAOYSA-N 1 2 352.394 3.894 20 5 FHBDLO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1C ZINC000452046095 940943502 /nfs/dbraw/zinc/94/35/02/940943502.db2.gz VEKKUOMWUVYMIB-UHFFFAOYSA-N 1 2 352.394 3.894 20 5 FHBDLO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000180422037 941010143 /nfs/dbraw/zinc/01/01/43/941010143.db2.gz LIGZIAYPGDYIPV-GFCCVEGCSA-N 1 2 354.366 3.504 20 5 FHBDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000180965602 941098033 /nfs/dbraw/zinc/09/80/33/941098033.db2.gz WNLUBMQMDLKADH-CQSZACIVSA-N 1 2 352.394 3.619 20 5 FHBDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000180965581 941098048 /nfs/dbraw/zinc/09/80/48/941098048.db2.gz WNLUBMQMDLKADH-AWEZNQCLSA-N 1 2 352.394 3.619 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000181337274 941124656 /nfs/dbraw/zinc/12/46/56/941124656.db2.gz IEWKOJZBFWVPDB-CABCVRRESA-N 1 2 351.410 3.896 20 5 FHBDLO Cc1ccccc1-c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000549169580 941576867 /nfs/dbraw/zinc/57/68/67/941576867.db2.gz ZYHTYVBBEDIRSY-UHFFFAOYSA-N 1 2 352.394 3.628 20 5 FHBDLO Cc1ccccc1-c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000549169580 941576871 /nfs/dbraw/zinc/57/68/71/941576871.db2.gz ZYHTYVBBEDIRSY-UHFFFAOYSA-N 1 2 352.394 3.628 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)c1C ZINC000433783153 941889534 /nfs/dbraw/zinc/88/95/34/941889534.db2.gz NTCUKGCNBODCSL-UHFFFAOYSA-N 1 2 367.352 3.853 20 5 FHBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000182537293 941931241 /nfs/dbraw/zinc/93/12/41/941931241.db2.gz FHOFRCBAWBGMKU-LLVKDONJSA-N 1 2 354.366 3.545 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951873 942272964 /nfs/dbraw/zinc/27/29/64/942272964.db2.gz RIEYPCOLPVGQQI-GFCCVEGCSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420951873 942272966 /nfs/dbraw/zinc/27/29/66/942272966.db2.gz RIEYPCOLPVGQQI-GFCCVEGCSA-N 1 2 359.348 3.506 20 5 FHBDLO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000522711088 942613715 /nfs/dbraw/zinc/61/37/15/942613715.db2.gz KMTVGTXXDAIGRK-QGZVFWFLSA-N 1 2 373.840 3.876 20 5 FHBDLO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000522711088 942613719 /nfs/dbraw/zinc/61/37/19/942613719.db2.gz KMTVGTXXDAIGRK-QGZVFWFLSA-N 1 2 373.840 3.876 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434497680 942723432 /nfs/dbraw/zinc/72/34/32/942723432.db2.gz FGCMLOWSPXPKBQ-UHFFFAOYSA-N 1 2 371.412 3.803 20 5 FHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(C4CCCC4)n3)CC2)n1 ZINC000365823240 943063131 /nfs/dbraw/zinc/06/31/31/943063131.db2.gz UXAKZHRNKMSJKJ-UHFFFAOYSA-N 1 2 361.471 3.743 20 5 FHBDLO COc1ccc(-c2ccc(C[NH2+]Cc3ncccc3F)o2)c([N+](=O)[O-])c1 ZINC000126353987 943112830 /nfs/dbraw/zinc/11/28/30/943112830.db2.gz CBSAGLGZAGINGO-UHFFFAOYSA-N 1 2 357.341 3.687 20 5 FHBDLO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531023 943892416 /nfs/dbraw/zinc/89/24/16/943892416.db2.gz ZFFNEBFILLZDJD-DZGCQCFKSA-N 1 2 369.874 3.547 20 5 FHBDLO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531023 943892422 /nfs/dbraw/zinc/89/24/22/943892422.db2.gz ZFFNEBFILLZDJD-DZGCQCFKSA-N 1 2 369.874 3.547 20 5 FHBDLO CCOc1cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000515544687 943979975 /nfs/dbraw/zinc/97/99/75/943979975.db2.gz FGVNJTZKORWCRW-ZDUSSCGKSA-N 1 2 362.348 3.537 20 5 FHBDLO CCOc1cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000515544687 943979980 /nfs/dbraw/zinc/97/99/80/943979980.db2.gz FGVNJTZKORWCRW-ZDUSSCGKSA-N 1 2 362.348 3.537 20 5 FHBDLO COC1(C(F)(F)F)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000418096111 944150928 /nfs/dbraw/zinc/15/09/28/944150928.db2.gz HWQFKEHKBYNYTK-UHFFFAOYSA-N 1 2 352.740 3.792 20 5 FHBDLO O=C(C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825853 944336381 /nfs/dbraw/zinc/33/63/81/944336381.db2.gz OAOHPPOFEUBDTK-UJGDBWEASA-N 1 2 351.406 3.711 20 5 FHBDLO O=C(C[N@H+]1CCC[C@H]1/C=C/c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825853 944336390 /nfs/dbraw/zinc/33/63/90/944336390.db2.gz OAOHPPOFEUBDTK-UJGDBWEASA-N 1 2 351.406 3.711 20 5 FHBDLO Cc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000473790222 944489738 /nfs/dbraw/zinc/48/97/38/944489738.db2.gz ULKDDMQJHQAGSM-UHFFFAOYSA-N 1 2 371.441 3.824 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000506546657 944536662 /nfs/dbraw/zinc/53/66/62/944536662.db2.gz NGUQGEILPWDTGH-UHFFFAOYSA-N 1 2 359.392 3.788 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000506546657 944536666 /nfs/dbraw/zinc/53/66/66/944536666.db2.gz NGUQGEILPWDTGH-UHFFFAOYSA-N 1 2 359.392 3.788 20 5 FHBDLO C[C@@H](c1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000517865915 944763982 /nfs/dbraw/zinc/76/39/82/944763982.db2.gz WEAKGIALYAWTLM-AWEZNQCLSA-N 1 2 370.409 3.632 20 5 FHBDLO Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507205259 945031244 /nfs/dbraw/zinc/03/12/44/945031244.db2.gz MBBQGSFCNWMXCO-CQSZACIVSA-N 1 2 373.840 3.985 20 5 FHBDLO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507205259 945031252 /nfs/dbraw/zinc/03/12/52/945031252.db2.gz MBBQGSFCNWMXCO-CQSZACIVSA-N 1 2 373.840 3.985 20 5 FHBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877547 945420858 /nfs/dbraw/zinc/42/08/58/945420858.db2.gz QTLFVCUUXUZRBP-LBPRGKRZSA-N 1 2 362.455 3.608 20 5 FHBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877547 945420865 /nfs/dbraw/zinc/42/08/65/945420865.db2.gz QTLFVCUUXUZRBP-LBPRGKRZSA-N 1 2 362.455 3.608 20 5 FHBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000108123780 945867094 /nfs/dbraw/zinc/86/70/94/945867094.db2.gz LQYYZKVBSSVMJO-CYBMUJFWSA-N 1 2 367.352 3.870 20 5 FHBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000108123780 945867097 /nfs/dbraw/zinc/86/70/97/945867097.db2.gz LQYYZKVBSSVMJO-CYBMUJFWSA-N 1 2 367.352 3.870 20 5 FHBDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000129500372 946448913 /nfs/dbraw/zinc/44/89/13/946448913.db2.gz SDIHCBDSWDWAIL-UHFFFAOYSA-N 1 2 362.389 3.585 20 5 FHBDLO Cc1cn2cc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000523009466 946637178 /nfs/dbraw/zinc/63/71/78/946637178.db2.gz LDSCZSMNYFMHKB-GFCCVEGCSA-N 1 2 356.407 3.670 20 5 FHBDLO Cn1nccc1C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475333404 946896691 /nfs/dbraw/zinc/89/66/91/946896691.db2.gz CBUQZAZUKCWIIB-UHFFFAOYSA-N 1 2 370.384 3.892 20 5 FHBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000475333404 946896701 /nfs/dbraw/zinc/89/67/01/946896701.db2.gz CBUQZAZUKCWIIB-UHFFFAOYSA-N 1 2 370.384 3.892 20 5 FHBDLO Cc1ccc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000444652323 947072487 /nfs/dbraw/zinc/07/24/87/947072487.db2.gz IYQQIKZBDLKYSC-UHFFFAOYSA-N 1 2 366.421 3.823 20 5 FHBDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049974190 947179605 /nfs/dbraw/zinc/17/96/05/947179605.db2.gz IADOAGCYFBJMHG-IFXJQAMLSA-N 1 2 365.389 3.894 20 5 FHBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000015171192 947804763 /nfs/dbraw/zinc/80/47/63/947804763.db2.gz NCCJPJGXBJHFRT-INIZCTEOSA-N 1 2 361.829 3.561 20 5 FHBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000015171192 947804768 /nfs/dbraw/zinc/80/47/68/947804768.db2.gz NCCJPJGXBJHFRT-INIZCTEOSA-N 1 2 361.829 3.561 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184644283 948060765 /nfs/dbraw/zinc/06/07/65/948060765.db2.gz MVWARZGECNHRNW-GJZGRUSLSA-N 1 2 360.483 3.800 20 5 FHBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000585753968 948264590 /nfs/dbraw/zinc/26/45/90/948264590.db2.gz XBTMWWFTYPUMIA-CQSZACIVSA-N 1 2 352.394 3.880 20 5 FHBDLO C[C@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000585753968 948264595 /nfs/dbraw/zinc/26/45/95/948264595.db2.gz XBTMWWFTYPUMIA-CQSZACIVSA-N 1 2 352.394 3.880 20 5 FHBDLO CC1(C)C[C@@H]([NH2+]Cc2ncnn2-c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000279146001 948556031 /nfs/dbraw/zinc/55/60/31/948556031.db2.gz SGCZIIXSSOREAB-GOSISDBHSA-N 1 2 363.421 3.688 20 5 FHBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCCCC2)c([N+](=O)[O-])c1 ZINC000109218813 132244681 /nfs/dbraw/zinc/24/46/81/132244681.db2.gz MHURNQYJAKTMSY-UHFFFAOYSA-N 1 2 357.370 3.500 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)cc1 ZINC000066864750 136136951 /nfs/dbraw/zinc/13/69/51/136136951.db2.gz SCLSWPKGCLBMIV-UHFFFAOYSA-N 1 2 364.405 3.572 20 5 FHBDLO Cc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000051451941 567961040 /nfs/dbraw/zinc/96/10/40/567961040.db2.gz LAIZORMMZRCTPR-GOSISDBHSA-N 1 2 367.405 3.515 20 5 FHBDLO CCc1[nH+]c(C(C)C)ccc1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000569437720 568402314 /nfs/dbraw/zinc/40/23/14/568402314.db2.gz RAKIRLWOAWNCMT-UHFFFAOYSA-N 1 2 351.410 3.982 20 5 FHBDLO CC(C)c1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000558385501 927511521 /nfs/dbraw/zinc/51/15/21/927511521.db2.gz COWQJRHVWWCELX-RHSMWYFYSA-N 1 2 372.425 3.694 20 5 FHBDLO CC(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1[N+](=O)[O-] ZINC000558385501 927511534 /nfs/dbraw/zinc/51/15/34/927511534.db2.gz COWQJRHVWWCELX-RHSMWYFYSA-N 1 2 372.425 3.694 20 5 FHBDLO Cc1ccc(C[S@@](=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)[nH+]1 ZINC000187175359 928919113 /nfs/dbraw/zinc/91/91/13/928919113.db2.gz XPCRSVGZDQXEGQ-AREMUKBSSA-N 1 2 371.418 3.711 20 5 FHBDLO CCc1cnc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000234231907 930521449 /nfs/dbraw/zinc/52/14/49/930521449.db2.gz CHRNIHNXQOYEAB-UHFFFAOYSA-N 1 2 356.245 3.666 20 5 FHBDLO Cc1ccc([C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000177869816 931394773 /nfs/dbraw/zinc/39/47/73/931394773.db2.gz XVLQZNGNQAEJMK-AWEZNQCLSA-N 1 2 350.378 3.580 20 5 FHBDLO CC(C)Cc1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000510535482 933196119 /nfs/dbraw/zinc/19/61/19/933196119.db2.gz BJAQMNYMHIRBQE-UHFFFAOYSA-N 1 2 360.483 3.572 20 5 FHBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582292 933330335 /nfs/dbraw/zinc/33/03/35/933330335.db2.gz BWQLQIPDGYHDLL-GWQKEKGPSA-N 1 2 373.434 3.666 20 5 FHBDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582292 933330347 /nfs/dbraw/zinc/33/03/47/933330347.db2.gz BWQLQIPDGYHDLL-GWQKEKGPSA-N 1 2 373.434 3.666 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610605053 933514213 /nfs/dbraw/zinc/51/42/13/933514213.db2.gz WGLPZDIKISOKGM-QWRGUYRKSA-N 1 2 372.265 3.776 20 5 FHBDLO O=[N+]([O-])c1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)C1CC1)OCCO2 ZINC000610930365 934626455 /nfs/dbraw/zinc/62/64/55/934626455.db2.gz DEVJWELTMUKORC-UHFFFAOYSA-N 1 2 358.369 3.670 20 5 FHBDLO O=[N+]([O-])c1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1)OCCO2 ZINC000610930365 934626459 /nfs/dbraw/zinc/62/64/59/934626459.db2.gz DEVJWELTMUKORC-UHFFFAOYSA-N 1 2 358.369 3.670 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000277356474 935016424 /nfs/dbraw/zinc/01/64/24/935016424.db2.gz ALZMUZWJWNSNHQ-OAHLLOKOSA-N 1 2 373.457 3.537 20 5 FHBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000548625483 935047453 /nfs/dbraw/zinc/04/74/53/935047453.db2.gz IWPNCXABYYSOKX-UHFFFAOYSA-N 1 2 351.859 3.628 20 5 FHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000611576639 935282727 /nfs/dbraw/zinc/28/27/27/935282727.db2.gz PURIZQKSPSWTMR-INIZCTEOSA-N 1 2 354.328 3.520 20 5 FHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000611576639 935282728 /nfs/dbraw/zinc/28/27/28/935282728.db2.gz PURIZQKSPSWTMR-INIZCTEOSA-N 1 2 354.328 3.520 20 5 FHBDLO C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000127744072 935767646 /nfs/dbraw/zinc/76/76/46/935767646.db2.gz FQOXLNUWQMGTHW-ABAIWWIYSA-N 1 2 363.805 3.560 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000519115174 945137637 /nfs/dbraw/zinc/13/76/37/945137637.db2.gz LVSMVOFPGQCLEC-KHYOSLBOSA-N 1 2 353.422 3.923 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000519115174 945137641 /nfs/dbraw/zinc/13/76/41/945137641.db2.gz LVSMVOFPGQCLEC-KHYOSLBOSA-N 1 2 353.422 3.923 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000611686057 936023180 /nfs/dbraw/zinc/02/31/80/936023180.db2.gz MXXYNWILXHTUIQ-AWEZNQCLSA-N 1 2 358.291 3.576 20 5 FHBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000135642393 936047705 /nfs/dbraw/zinc/04/77/05/936047705.db2.gz GKBXNRMRDLNHHM-UHFFFAOYSA-N 1 2 359.451 3.972 20 5 FHBDLO Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C2CCCCC2)n1 ZINC000582870117 936245066 /nfs/dbraw/zinc/24/50/66/936245066.db2.gz BCMYUESJDGXZOG-UHFFFAOYSA-N 1 2 354.454 3.934 20 5 FHBDLO Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C2CCCCC2)n1 ZINC000582870117 936245075 /nfs/dbraw/zinc/24/50/75/936245075.db2.gz BCMYUESJDGXZOG-UHFFFAOYSA-N 1 2 354.454 3.934 20 5 FHBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(Cc2ccccc2)c1 ZINC000509582408 945170171 /nfs/dbraw/zinc/17/01/71/945170171.db2.gz HEOFHPYVOMNMOH-CYBMUJFWSA-N 1 2 372.375 3.969 20 5 FHBDLO CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000427208126 945177700 /nfs/dbraw/zinc/17/77/00/945177700.db2.gz BBYKXGHCQPFPRN-YOEHRIQHSA-N 1 2 374.466 3.575 20 5 FHBDLO CCn1cc([C@@H](C)[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000294890222 945200105 /nfs/dbraw/zinc/20/01/05/945200105.db2.gz QTHWOMFWJQBMAQ-GFCCVEGCSA-N 1 2 357.439 3.786 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128207069 938901757 /nfs/dbraw/zinc/90/17/57/938901757.db2.gz ZKBUGRIMMJXHOF-GOSISDBHSA-N 1 2 371.437 3.592 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000128207069 938901759 /nfs/dbraw/zinc/90/17/59/938901759.db2.gz ZKBUGRIMMJXHOF-GOSISDBHSA-N 1 2 371.437 3.592 20 5 FHBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000472333120 938990897 /nfs/dbraw/zinc/99/08/97/938990897.db2.gz BADPQSYCHIVUCO-KRWDZBQOSA-N 1 2 367.409 3.711 20 5 FHBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000472333120 938990898 /nfs/dbraw/zinc/99/08/98/938990898.db2.gz BADPQSYCHIVUCO-KRWDZBQOSA-N 1 2 367.409 3.711 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCOC)Cc1cccs1 ZINC000506031033 945248307 /nfs/dbraw/zinc/24/83/07/945248307.db2.gz MSEGJXVFCAHMRQ-UHFFFAOYSA-N 1 2 350.440 3.704 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCOC)Cc1cccs1 ZINC000506031033 945248311 /nfs/dbraw/zinc/24/83/11/945248311.db2.gz MSEGJXVFCAHMRQ-UHFFFAOYSA-N 1 2 350.440 3.704 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000364429528 939941029 /nfs/dbraw/zinc/94/10/29/939941029.db2.gz ZXKVNMIMTJIYNU-CQSZACIVSA-N 1 2 365.393 3.732 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cs1 ZINC000177153384 939970553 /nfs/dbraw/zinc/97/05/53/939970553.db2.gz WKZXRPGIBJEZMY-MRXNPFEDSA-N 1 2 358.419 3.985 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)cs1 ZINC000177153384 939970554 /nfs/dbraw/zinc/97/05/54/939970554.db2.gz WKZXRPGIBJEZMY-MRXNPFEDSA-N 1 2 358.419 3.985 20 5 FHBDLO CCC(=O)c1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000066062028 940251199 /nfs/dbraw/zinc/25/11/99/940251199.db2.gz GTQKYTSITXQERY-UHFFFAOYSA-N 1 2 365.345 3.592 20 5 FHBDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581166118 940494711 /nfs/dbraw/zinc/49/47/11/940494711.db2.gz PBPRVMJANIFVQN-GJZGRUSLSA-N 1 2 373.478 3.665 20 5 FHBDLO CC1(C)C[C@@H]([NH2+]Cc2nccc(C(F)(F)F)n2)c2cc([N+](=O)[O-])ccc21 ZINC000414237802 940818149 /nfs/dbraw/zinc/81/81/49/940818149.db2.gz JSRBFEIZTHCACJ-CYBMUJFWSA-N 1 2 366.343 3.916 20 5 FHBDLO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000181534900 941530859 /nfs/dbraw/zinc/53/08/59/941530859.db2.gz SEVMWRIXGMCKFW-VXGBXAGGSA-N 1 2 354.366 3.762 20 5 FHBDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110248605 942348079 /nfs/dbraw/zinc/34/80/79/942348079.db2.gz XXSKHUVUHDQGBC-UHFFFAOYSA-N 1 2 374.759 3.503 20 5 FHBDLO Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000421082312 942348838 /nfs/dbraw/zinc/34/88/38/942348838.db2.gz BZQWKPYMYCVHMJ-UHFFFAOYSA-N 1 2 368.315 3.947 20 5 FHBDLO Cc1ccccc1C1=CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000501555149 942546389 /nfs/dbraw/zinc/54/63/89/942546389.db2.gz NLVXECQCEPULLL-UHFFFAOYSA-N 1 2 374.400 3.628 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCSC(C)(C)CC1 ZINC000434686012 942864525 /nfs/dbraw/zinc/86/45/25/942864525.db2.gz SRWUQXVTNRSHKN-LLVKDONJSA-N 1 2 371.890 3.793 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCSC(C)(C)CC1 ZINC000434686012 942864530 /nfs/dbraw/zinc/86/45/30/942864530.db2.gz SRWUQXVTNRSHKN-LLVKDONJSA-N 1 2 371.890 3.793 20 5 FHBDLO COc1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505584739 943075090 /nfs/dbraw/zinc/07/50/90/943075090.db2.gz IRQXWANPOPQSAL-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO COc1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505584739 943075099 /nfs/dbraw/zinc/07/50/99/943075099.db2.gz IRQXWANPOPQSAL-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1n[nH]cc1Br)CCCC2 ZINC000515003837 943445011 /nfs/dbraw/zinc/44/50/11/943445011.db2.gz CMSFACBNMKLFDU-AWEZNQCLSA-N 1 2 365.231 3.638 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000506851016 944332437 /nfs/dbraw/zinc/33/24/37/944332437.db2.gz KQFOADXMYQCIJT-UHFFFAOYSA-N 1 2 356.407 3.995 20 5 FHBDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516157312 944544470 /nfs/dbraw/zinc/54/44/70/944544470.db2.gz MMQTZBLVKJHMLY-GFCCVEGCSA-N 1 2 364.808 3.666 20 5 FHBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000108123785 945866929 /nfs/dbraw/zinc/86/69/29/945866929.db2.gz LQYYZKVBSSVMJO-ZDUSSCGKSA-N 1 2 367.352 3.870 20 5 FHBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000108123785 945866939 /nfs/dbraw/zinc/86/69/39/945866939.db2.gz LQYYZKVBSSVMJO-ZDUSSCGKSA-N 1 2 367.352 3.870 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000444154672 945997202 /nfs/dbraw/zinc/99/72/02/945997202.db2.gz DYBSYCFTLQCIQY-DNVCBOLYSA-N 1 2 353.422 3.783 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000444154672 945997212 /nfs/dbraw/zinc/99/72/12/945997212.db2.gz DYBSYCFTLQCIQY-DNVCBOLYSA-N 1 2 353.422 3.783 20 5 FHBDLO CC(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000444202875 946068385 /nfs/dbraw/zinc/06/83/85/946068385.db2.gz XUMVQKICPFVJJX-GFCCVEGCSA-N 1 2 353.850 3.943 20 5 FHBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939194 946299274 /nfs/dbraw/zinc/29/92/74/946299274.db2.gz PWDSTEVPUQDTJX-SNVBAGLBSA-N 1 2 353.831 3.769 20 5 FHBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939194 946299286 /nfs/dbraw/zinc/29/92/86/946299286.db2.gz PWDSTEVPUQDTJX-SNVBAGLBSA-N 1 2 353.831 3.769 20 5 FHBDLO CCOc1ccc(CN2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000441242995 946352396 /nfs/dbraw/zinc/35/23/96/946352396.db2.gz GRJUDVHBTGMJLK-QGZVFWFLSA-N 1 2 369.465 3.872 20 5 FHBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Br)c1 ZINC000475531960 946608210 /nfs/dbraw/zinc/60/82/10/946608210.db2.gz QVKPBNLSHIAZAJ-UHFFFAOYSA-N 1 2 367.247 3.501 20 5 FHBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(Br)c1 ZINC000475531960 946608217 /nfs/dbraw/zinc/60/82/17/946608217.db2.gz QVKPBNLSHIAZAJ-UHFFFAOYSA-N 1 2 367.247 3.501 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186205711 946619113 /nfs/dbraw/zinc/61/91/13/946619113.db2.gz ZDDYIJLZVVILCP-HNNXBMFYSA-N 1 2 365.433 3.778 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000186205711 946619118 /nfs/dbraw/zinc/61/91/18/946619118.db2.gz ZDDYIJLZVVILCP-HNNXBMFYSA-N 1 2 365.433 3.778 20 5 FHBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000475556754 946629827 /nfs/dbraw/zinc/62/98/27/946629827.db2.gz SHKIDXFLHHBPSU-UHFFFAOYSA-N 1 2 365.393 3.719 20 5 FHBDLO CC(C)c1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000475292104 946810451 /nfs/dbraw/zinc/81/04/51/946810451.db2.gz DGICMHXDAJZKNP-UHFFFAOYSA-N 1 2 351.410 3.589 20 5 FHBDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000181820755 947001544 /nfs/dbraw/zinc/00/15/44/947001544.db2.gz LBHHAUSFHGGLRP-QGZVFWFLSA-N 1 2 360.385 3.907 20 5 FHBDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444606807 947033122 /nfs/dbraw/zinc/03/31/22/947033122.db2.gz HFRWGTXGUOBIDG-QGZVFWFLSA-N 1 2 352.394 3.817 20 5 FHBDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444606807 947033131 /nfs/dbraw/zinc/03/31/31/947033131.db2.gz HFRWGTXGUOBIDG-QGZVFWFLSA-N 1 2 352.394 3.817 20 5 FHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000441480967 947903656 /nfs/dbraw/zinc/90/36/56/947903656.db2.gz LQVIBTITSYYXSL-HNNXBMFYSA-N 1 2 370.434 3.641 20 5 FHBDLO Cc1sc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000278874786 947938217 /nfs/dbraw/zinc/93/82/17/947938217.db2.gz CGJQRAJAVUPGHB-UHFFFAOYSA-N 1 2 374.466 3.517 20 5 FHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000441492717 948026541 /nfs/dbraw/zinc/02/65/41/948026541.db2.gz RNEVSQPKPPXNHS-MRXNPFEDSA-N 1 2 370.434 3.641 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184644267 948060745 /nfs/dbraw/zinc/06/07/45/948060745.db2.gz MVWARZGECNHRNW-CABCVRRESA-N 1 2 360.483 3.800 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536488136 948737548 /nfs/dbraw/zinc/73/75/48/948737548.db2.gz MBTIRJKRROIEFE-LLVKDONJSA-N 1 2 365.792 3.846 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536488136 948737552 /nfs/dbraw/zinc/73/75/52/948737552.db2.gz MBTIRJKRROIEFE-LLVKDONJSA-N 1 2 365.792 3.846 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000051451933 567958662 /nfs/dbraw/zinc/95/86/62/567958662.db2.gz VNKBRPWWMSTBCJ-MRXNPFEDSA-N 1 2 373.796 3.552 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccccc3OCC3CC3)nc2c1 ZINC000602552208 567990861 /nfs/dbraw/zinc/99/08/61/567990861.db2.gz GTNMXSFUTYANFO-UHFFFAOYSA-N 1 2 353.378 3.815 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000584665678 568129498 /nfs/dbraw/zinc/12/94/98/568129498.db2.gz VVVFAPLMAJNTKE-UHFFFAOYSA-N 1 2 351.410 3.983 20 5 FHBDLO Cc1cc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)s1 ZINC000032167181 568368414 /nfs/dbraw/zinc/36/84/14/568368414.db2.gz YHHPGXBAQDSFCB-GFCCVEGCSA-N 1 2 370.434 3.950 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000541996428 568386598 /nfs/dbraw/zinc/38/65/98/568386598.db2.gz LWNQMTKROGLVPS-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000541996428 568386599 /nfs/dbraw/zinc/38/65/99/568386599.db2.gz LWNQMTKROGLVPS-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO Cc1cc(Cc2noc(CCc3[nH]c4ccccc4[nH+]3)n2)ccc1[N+](=O)[O-] ZINC000569978526 568445550 /nfs/dbraw/zinc/44/55/50/568445550.db2.gz AKGIXTVVHJVWKI-UHFFFAOYSA-N 1 2 363.377 3.539 20 5 FHBDLO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1F ZINC000182018392 568462392 /nfs/dbraw/zinc/46/23/92/568462392.db2.gz QIZZWJZGMNZFJI-LLVKDONJSA-N 1 2 372.356 3.643 20 5 FHBDLO COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000482249317 568528005 /nfs/dbraw/zinc/52/80/05/568528005.db2.gz XYZYNGWAKVRBKY-UHFFFAOYSA-N 1 2 369.204 3.978 20 5 FHBDLO Cc1cccnc1OC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000583112937 937133404 /nfs/dbraw/zinc/13/34/04/937133404.db2.gz MZQLOWBGYOJONQ-UHFFFAOYSA-N 1 2 361.829 3.995 20 5 FHBDLO COc1ccc(-c2ccc(C[NH2+]Cc3csc(C)n3)o2)c([N+](=O)[O-])c1 ZINC000608835997 927584420 /nfs/dbraw/zinc/58/44/20/927584420.db2.gz BVCQKDTWNZPELE-UHFFFAOYSA-N 1 2 359.407 3.918 20 5 FHBDLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000472285585 937336035 /nfs/dbraw/zinc/33/60/35/937336035.db2.gz XKUJKJPWJFBRDX-INIZCTEOSA-N 1 2 371.412 3.518 20 5 FHBDLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000472285585 937336039 /nfs/dbraw/zinc/33/60/39/937336039.db2.gz XKUJKJPWJFBRDX-INIZCTEOSA-N 1 2 371.412 3.518 20 5 FHBDLO Cc1cc2c(s1)N(c1nccc(N)c1[N+](=O)[O-])c1ccccc1NC2=[NH2+] ZINC001167463446 932076838 /nfs/dbraw/zinc/07/68/38/932076838.db2.gz QPSLGUZQPQVADN-UHFFFAOYSA-N 1 2 366.406 3.762 20 5 FHBDLO CCC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000178359197 933526407 /nfs/dbraw/zinc/52/64/07/933526407.db2.gz IBJZCIKXMFSRCR-UHFFFAOYSA-N 1 2 364.361 3.626 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000510784628 933726659 /nfs/dbraw/zinc/72/66/59/933726659.db2.gz WSGSUYGRYRABQC-UHFFFAOYSA-N 1 2 357.385 3.645 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000510784628 933726660 /nfs/dbraw/zinc/72/66/60/933726660.db2.gz WSGSUYGRYRABQC-UHFFFAOYSA-N 1 2 357.385 3.645 20 5 FHBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000548640855 935094588 /nfs/dbraw/zinc/09/45/88/935094588.db2.gz JXIYGYUEQMBHEW-LJQANCHMSA-N 1 2 356.422 3.509 20 5 FHBDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000548640855 935094592 /nfs/dbraw/zinc/09/45/92/935094592.db2.gz JXIYGYUEQMBHEW-LJQANCHMSA-N 1 2 356.422 3.509 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC000611575451 935239015 /nfs/dbraw/zinc/23/90/15/935239015.db2.gz HKTWOIYGTDEYRM-MRXNPFEDSA-N 1 2 354.328 3.520 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC000611575451 935239020 /nfs/dbraw/zinc/23/90/20/935239020.db2.gz HKTWOIYGTDEYRM-MRXNPFEDSA-N 1 2 354.328 3.520 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000511111756 935633234 /nfs/dbraw/zinc/63/32/34/935633234.db2.gz ZJLRXBQVGLXXJF-UHFFFAOYSA-N 1 2 371.828 3.503 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000511111756 935633237 /nfs/dbraw/zinc/63/32/37/935633237.db2.gz ZJLRXBQVGLXXJF-UHFFFAOYSA-N 1 2 371.828 3.503 20 5 FHBDLO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@](=O)C1 ZINC000277578170 935633640 /nfs/dbraw/zinc/63/36/40/935633640.db2.gz TVRZYRSUDFKFLR-OZAJXLCCSA-N 1 2 364.492 3.524 20 5 FHBDLO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@](=O)C1 ZINC000277578170 935633642 /nfs/dbraw/zinc/63/36/42/935633642.db2.gz TVRZYRSUDFKFLR-OZAJXLCCSA-N 1 2 364.492 3.524 20 5 FHBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@](=O)C1 ZINC000277578180 935633705 /nfs/dbraw/zinc/63/37/05/935633705.db2.gz TVRZYRSUDFKFLR-RZFZLAGVSA-N 1 2 364.492 3.524 20 5 FHBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@](=O)C1 ZINC000277578180 935633708 /nfs/dbraw/zinc/63/37/08/935633708.db2.gz TVRZYRSUDFKFLR-RZFZLAGVSA-N 1 2 364.492 3.524 20 5 FHBDLO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)nnn1-c1ccc(C)cc1 ZINC000478510861 935639043 /nfs/dbraw/zinc/63/90/43/935639043.db2.gz ZSVVSDSQBYBWEK-HNNXBMFYSA-N 1 2 365.437 3.952 20 5 FHBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000582446151 935719097 /nfs/dbraw/zinc/71/90/97/935719097.db2.gz BNJSRTOTZVZQIP-HDJSIYSDSA-N 1 2 355.398 3.535 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277722354 935856235 /nfs/dbraw/zinc/85/62/35/935856235.db2.gz ZIWDXOHUPBLVFU-UHFFFAOYSA-N 1 2 364.833 3.560 20 5 FHBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(CC2CCC2)c1 ZINC000934560353 935886567 /nfs/dbraw/zinc/88/65/67/935886567.db2.gz WYUXDIWQSGFAJX-NSHDSACASA-N 1 2 350.369 3.720 20 5 FHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCOC[C@H]2C)cc1OC ZINC000611668205 935890587 /nfs/dbraw/zinc/89/05/87/935890587.db2.gz DOCKQGCYVKYVQF-LSDHHAIUSA-N 1 2 366.458 3.639 20 5 FHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCOC[C@H]2C)cc1OC ZINC000611668205 935890590 /nfs/dbraw/zinc/89/05/90/935890590.db2.gz DOCKQGCYVKYVQF-LSDHHAIUSA-N 1 2 366.458 3.639 20 5 FHBDLO CCOc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046517124 935891365 /nfs/dbraw/zinc/89/13/65/935891365.db2.gz RMBNBAWVSOUEQO-UHFFFAOYSA-N 1 2 370.340 3.571 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000519115175 945137264 /nfs/dbraw/zinc/13/72/64/945137264.db2.gz LVSMVOFPGQCLEC-VCBZYWHSSA-N 1 2 353.422 3.923 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000519115175 945137270 /nfs/dbraw/zinc/13/72/70/945137270.db2.gz LVSMVOFPGQCLEC-VCBZYWHSSA-N 1 2 353.422 3.923 20 5 FHBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000178680536 936172698 /nfs/dbraw/zinc/17/26/98/936172698.db2.gz VAKGDHRDRKBIMI-AUUYWEPGSA-N 1 2 353.422 3.574 20 5 FHBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(Cc2ccccc2)c1 ZINC000509582409 945170023 /nfs/dbraw/zinc/17/00/23/945170023.db2.gz HEOFHPYVOMNMOH-ZDUSSCGKSA-N 1 2 372.375 3.969 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536181077 938520380 /nfs/dbraw/zinc/52/03/80/938520380.db2.gz UCHGVIPPLSTKBE-AWEZNQCLSA-N 1 2 353.422 3.715 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536181077 938520383 /nfs/dbraw/zinc/52/03/83/938520383.db2.gz UCHGVIPPLSTKBE-AWEZNQCLSA-N 1 2 353.422 3.715 20 5 FHBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000162209129 938841033 /nfs/dbraw/zinc/84/10/33/938841033.db2.gz RJUZZRYAHCVOOV-OLZOCXBDSA-N 1 2 361.471 3.697 20 5 FHBDLO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000162209129 938841036 /nfs/dbraw/zinc/84/10/36/938841036.db2.gz RJUZZRYAHCVOOV-OLZOCXBDSA-N 1 2 361.471 3.697 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000179315261 939079786 /nfs/dbraw/zinc/07/97/86/939079786.db2.gz LBEFTUHNUBNUGH-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(OC(F)F)c1 ZINC000179315261 939079788 /nfs/dbraw/zinc/07/97/88/939079788.db2.gz LBEFTUHNUBNUGH-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000506778229 945300347 /nfs/dbraw/zinc/30/03/47/945300347.db2.gz POJPTPLWBPHCJC-UHFFFAOYSA-N 1 2 359.401 3.973 20 5 FHBDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000506778229 945300354 /nfs/dbraw/zinc/30/03/54/945300354.db2.gz POJPTPLWBPHCJC-UHFFFAOYSA-N 1 2 359.401 3.973 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180094268 940467981 /nfs/dbraw/zinc/46/79/81/940467981.db2.gz UKVBYNBQYFCVOQ-LLVKDONJSA-N 1 2 374.828 3.994 20 5 FHBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000052915413 941728544 /nfs/dbraw/zinc/72/85/44/941728544.db2.gz OAWMIGKBMQJMKB-UHFFFAOYSA-N 1 2 354.435 3.527 20 5 FHBDLO CC(C)[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000513386135 941893143 /nfs/dbraw/zinc/89/31/43/941893143.db2.gz GRYVHWYFQJULLO-UHFFFAOYSA-N 1 2 363.364 3.722 20 5 FHBDLO CC(C)[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])cc1 ZINC000513386135 941893146 /nfs/dbraw/zinc/89/31/46/941893146.db2.gz GRYVHWYFQJULLO-UHFFFAOYSA-N 1 2 363.364 3.722 20 5 FHBDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182636662 941956501 /nfs/dbraw/zinc/95/65/01/941956501.db2.gz ANEQLPIVYNNFFQ-CQSZACIVSA-N 1 2 366.421 3.723 20 5 FHBDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182636662 941956506 /nfs/dbraw/zinc/95/65/06/941956506.db2.gz ANEQLPIVYNNFFQ-CQSZACIVSA-N 1 2 366.421 3.723 20 5 FHBDLO COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000101665760 942003538 /nfs/dbraw/zinc/00/35/38/942003538.db2.gz CLZCMLTXONHSPK-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO Cc1cc(CNC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc(C)[nH+]1 ZINC000420844946 942227331 /nfs/dbraw/zinc/22/73/31/942227331.db2.gz HNUIPQHNLNCEQI-SFHVURJKSA-N 1 2 368.437 3.696 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000420940310 942265384 /nfs/dbraw/zinc/26/53/84/942265384.db2.gz DBJXQPQTMXMACU-LLVKDONJSA-N 1 2 370.331 3.809 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](CC(F)(F)F)C3)n2)c1 ZINC000420940310 942265387 /nfs/dbraw/zinc/26/53/87/942265387.db2.gz DBJXQPQTMXMACU-LLVKDONJSA-N 1 2 370.331 3.809 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951875 942272731 /nfs/dbraw/zinc/27/27/31/942272731.db2.gz RIEYPCOLPVGQQI-LBPRGKRZSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420951875 942272732 /nfs/dbraw/zinc/27/27/32/942272732.db2.gz RIEYPCOLPVGQQI-LBPRGKRZSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccncc3F)s2)cc1[N+](=O)[O-] ZINC000366833106 942427150 /nfs/dbraw/zinc/42/71/50/942427150.db2.gz YTOAWWKWBHQZTR-LLVKDONJSA-N 1 2 373.413 3.807 20 5 FHBDLO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413212430 942487532 /nfs/dbraw/zinc/48/75/32/942487532.db2.gz YSKZOARHPCJHPV-GJZGRUSLSA-N 1 2 368.771 3.779 20 5 FHBDLO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413212430 942487536 /nfs/dbraw/zinc/48/75/36/942487536.db2.gz YSKZOARHPCJHPV-GJZGRUSLSA-N 1 2 368.771 3.779 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000378457856 942790106 /nfs/dbraw/zinc/79/01/06/942790106.db2.gz CYCAEQKTXZSSJN-CYBMUJFWSA-N 1 2 374.466 3.838 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000421804816 942822580 /nfs/dbraw/zinc/82/25/80/942822580.db2.gz VDCVWUXIJBZKHO-UHFFFAOYSA-N 1 2 370.453 3.741 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503643147 943306964 /nfs/dbraw/zinc/30/69/64/943306964.db2.gz NYMNPNBUDRYERK-UHFFFAOYSA-N 1 2 355.221 3.896 20 5 FHBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503643147 943306971 /nfs/dbraw/zinc/30/69/71/943306971.db2.gz NYMNPNBUDRYERK-UHFFFAOYSA-N 1 2 355.221 3.896 20 5 FHBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000424208450 943788626 /nfs/dbraw/zinc/78/86/26/943788626.db2.gz ZPQKRGALRYBUNO-NSHDSACASA-N 1 2 363.439 3.812 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2cnn(Cc3c[nH+]cn3Cc3ccccc3)c2)cc1 ZINC000437611451 943969210 /nfs/dbraw/zinc/96/92/10/943969210.db2.gz GEXWHQYHHMRSSI-UHFFFAOYSA-N 1 2 359.389 3.751 20 5 FHBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000515544686 943979661 /nfs/dbraw/zinc/97/96/61/943979661.db2.gz FGVNJTZKORWCRW-CYBMUJFWSA-N 1 2 362.348 3.537 20 5 FHBDLO CCOc1cc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000515544686 943979668 /nfs/dbraw/zinc/97/96/68/943979668.db2.gz FGVNJTZKORWCRW-CYBMUJFWSA-N 1 2 362.348 3.537 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000436423830 944296483 /nfs/dbraw/zinc/29/64/83/944296483.db2.gz AWKXFHNJLKFFNQ-SCLBCKFNSA-N 1 2 357.385 3.532 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000436423830 944296488 /nfs/dbraw/zinc/29/64/88/944296488.db2.gz AWKXFHNJLKFFNQ-SCLBCKFNSA-N 1 2 357.385 3.532 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CC3)o2)cc1 ZINC000440294244 945382667 /nfs/dbraw/zinc/38/26/67/945382667.db2.gz OJOILBXQZBMGSZ-UHFFFAOYSA-N 1 2 354.341 3.563 20 5 FHBDLO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)ccc1-n1cc[nH+]c1 ZINC000281253786 945569016 /nfs/dbraw/zinc/56/90/16/945569016.db2.gz DWFBHRFQSKFTMO-LLVKDONJSA-N 1 2 361.308 3.733 20 5 FHBDLO COc1cc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184405144 945644659 /nfs/dbraw/zinc/64/46/59/945644659.db2.gz CGADPRSEKIQVOF-OAHLLOKOSA-N 1 2 351.403 3.748 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000108185848 945879096 /nfs/dbraw/zinc/87/90/96/945879096.db2.gz IJDYGPULUKFLRG-OAQYLSRUSA-N 1 2 363.417 3.880 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000108185848 945879104 /nfs/dbraw/zinc/87/91/04/945879104.db2.gz IJDYGPULUKFLRG-OAQYLSRUSA-N 1 2 363.417 3.880 20 5 FHBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(C)o1 ZINC000549541788 945990092 /nfs/dbraw/zinc/99/00/92/945990092.db2.gz DVIHTMMYKQRDBN-AWEZNQCLSA-N 1 2 358.316 3.992 20 5 FHBDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783556575 946474393 /nfs/dbraw/zinc/47/43/93/946474393.db2.gz FNAZZHDHGPYYHQ-UHFFFAOYSA-N 1 2 350.831 3.898 20 5 FHBDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783556575 946474401 /nfs/dbraw/zinc/47/44/01/946474401.db2.gz FNAZZHDHGPYYHQ-UHFFFAOYSA-N 1 2 350.831 3.898 20 5 FHBDLO CN(c1ccccc1)c1ccc(C[N@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000475328641 946888907 /nfs/dbraw/zinc/88/89/07/946888907.db2.gz JGQSDJUMUCXPRH-UHFFFAOYSA-N 1 2 365.437 3.728 20 5 FHBDLO CN(c1ccccc1)c1ccc(C[N@@H+](C)Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000475328641 946888913 /nfs/dbraw/zinc/88/89/13/946888913.db2.gz JGQSDJUMUCXPRH-UHFFFAOYSA-N 1 2 365.437 3.728 20 5 FHBDLO Cn1nccc1C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475330995 946892813 /nfs/dbraw/zinc/89/28/13/946892813.db2.gz GJCHSNCACKKQPQ-UHFFFAOYSA-N 1 2 360.801 3.874 20 5 FHBDLO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475330995 946892824 /nfs/dbraw/zinc/89/28/24/946892824.db2.gz GJCHSNCACKKQPQ-UHFFFAOYSA-N 1 2 360.801 3.874 20 5 FHBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129742042 947014376 /nfs/dbraw/zinc/01/43/76/947014376.db2.gz BJHRSLAABPUHKO-UHFFFAOYSA-N 1 2 374.828 3.564 20 5 FHBDLO Cc1cc(C)cc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000444694369 947119894 /nfs/dbraw/zinc/11/98/94/947119894.db2.gz JNOQLSXAQCJTSY-UHFFFAOYSA-N 1 2 352.394 3.894 20 5 FHBDLO Cc1cc(C)cc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000444694369 947119902 /nfs/dbraw/zinc/11/99/02/947119902.db2.gz JNOQLSXAQCJTSY-UHFFFAOYSA-N 1 2 352.394 3.894 20 5 FHBDLO COc1ccc(C[N@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1F ZINC000728895662 948550543 /nfs/dbraw/zinc/55/05/43/948550543.db2.gz CEFRLACTNBZAJQ-UHFFFAOYSA-N 1 2 370.384 3.696 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)cc1F ZINC000728895662 948550552 /nfs/dbraw/zinc/55/05/52/948550552.db2.gz CEFRLACTNBZAJQ-UHFFFAOYSA-N 1 2 370.384 3.696 20 5 FHBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000022227652 210158568 /nfs/dbraw/zinc/15/85/68/210158568.db2.gz HITHMVBGTBAMMA-UHFFFAOYSA-N 1 2 363.299 3.806 20 5 FHBDLO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000015656550 211134959 /nfs/dbraw/zinc/13/49/59/211134959.db2.gz WUHWGMUPWHGRLQ-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000014526833 211095465 /nfs/dbraw/zinc/09/54/65/211095465.db2.gz YLGTZHFNXUZGAW-UHFFFAOYSA-N 1 2 360.439 3.536 20 5 FHBDLO CC1CC[NH+](Cc2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000014526761 211094272 /nfs/dbraw/zinc/09/42/72/211094272.db2.gz DLGVBIOQCIUQJL-UHFFFAOYSA-N 1 2 360.439 3.536 20 5 FHBDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000096956009 222146495 /nfs/dbraw/zinc/14/64/95/222146495.db2.gz OAIHJJGOEUJABI-INIZCTEOSA-N 1 2 359.451 3.913 20 5 FHBDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000096956009 222146497 /nfs/dbraw/zinc/14/64/97/222146497.db2.gz OAIHJJGOEUJABI-INIZCTEOSA-N 1 2 359.451 3.913 20 5 FHBDLO O=C(CSc1[nH+]cc2ccccn21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000024794531 568113444 /nfs/dbraw/zinc/11/34/44/568113444.db2.gz IKPXMUFVURZRLH-UHFFFAOYSA-N 1 2 362.798 3.627 20 5 FHBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000291471865 568140400 /nfs/dbraw/zinc/14/04/00/568140400.db2.gz JHNCIRMPYNESMK-SECBINFHSA-N 1 2 369.208 3.645 20 5 FHBDLO O=C(NCc1ccc(C2CC2)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000481896025 568168372 /nfs/dbraw/zinc/16/83/72/568168372.db2.gz QKBOLCRRDDXBJN-UHFFFAOYSA-N 1 2 362.389 3.588 20 5 FHBDLO CCCc1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000291746844 568296073 /nfs/dbraw/zinc/29/60/73/568296073.db2.gz PRLAHFBCPQFYSB-UHFFFAOYSA-N 1 2 355.341 3.735 20 5 FHBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(OC)c(OC)c1 ZINC000569754814 568421247 /nfs/dbraw/zinc/42/12/47/568421247.db2.gz PMUWZRMYYATFIZ-UHFFFAOYSA-N 1 2 370.409 3.510 20 5 FHBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(OC)c(OC)c1 ZINC000569754814 568421248 /nfs/dbraw/zinc/42/12/48/568421248.db2.gz PMUWZRMYYATFIZ-UHFFFAOYSA-N 1 2 370.409 3.510 20 5 FHBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000570008759 568449475 /nfs/dbraw/zinc/44/94/75/568449475.db2.gz IHEUWURPICWRTC-DAXSKMNVSA-N 1 2 356.407 3.852 20 5 FHBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000570008759 568449477 /nfs/dbraw/zinc/44/94/77/568449477.db2.gz IHEUWURPICWRTC-DAXSKMNVSA-N 1 2 356.407 3.852 20 5 FHBDLO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000182056201 568719943 /nfs/dbraw/zinc/71/99/43/568719943.db2.gz KXKDKMPEVJEPED-UHFFFAOYSA-N 1 2 353.378 3.664 20 5 FHBDLO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccco2)Cc2cccnc2)cc1 ZINC000182056201 568719946 /nfs/dbraw/zinc/71/99/46/568719946.db2.gz KXKDKMPEVJEPED-UHFFFAOYSA-N 1 2 353.378 3.664 20 5 FHBDLO COc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000557691446 927324344 /nfs/dbraw/zinc/32/43/44/927324344.db2.gz GTFHEWFGHSPGCE-IBGZPJMESA-N 1 2 360.385 3.683 20 5 FHBDLO COc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000557691446 927324355 /nfs/dbraw/zinc/32/43/55/927324355.db2.gz GTFHEWFGHSPGCE-IBGZPJMESA-N 1 2 360.385 3.683 20 5 FHBDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027352444 929690285 /nfs/dbraw/zinc/69/02/85/929690285.db2.gz FNVIZHPKMSHWOL-UHFFFAOYSA-N 1 2 368.220 3.633 20 5 FHBDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027352444 929690287 /nfs/dbraw/zinc/69/02/87/929690287.db2.gz FNVIZHPKMSHWOL-UHFFFAOYSA-N 1 2 368.220 3.633 20 5 FHBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC001266530846 929755158 /nfs/dbraw/zinc/75/51/58/929755158.db2.gz FZZMLAIFBDZUJX-INIZCTEOSA-N 1 2 368.368 3.801 20 5 FHBDLO O=[N+]([O-])c1ncccc1C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001167332772 929958163 /nfs/dbraw/zinc/95/81/63/929958163.db2.gz RRFYXDZQTJMQOV-UHFFFAOYSA-N 1 2 370.236 3.681 20 5 FHBDLO O=[N+]([O-])c1ncccc1C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001167332772 929958173 /nfs/dbraw/zinc/95/81/73/929958173.db2.gz RRFYXDZQTJMQOV-UHFFFAOYSA-N 1 2 370.236 3.681 20 5 FHBDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000537029217 930773322 /nfs/dbraw/zinc/77/33/22/930773322.db2.gz LJUOAIVIQQZWDR-LBPRGKRZSA-N 1 2 354.366 3.504 20 5 FHBDLO Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000177871714 931395316 /nfs/dbraw/zinc/39/53/16/931395316.db2.gz FPLVDQPHNVWVGR-CQSZACIVSA-N 1 2 350.378 3.580 20 5 FHBDLO Cc1cc2c(s1)N(c1nccnc1[N+](=O)[O-])c1ccccc1NC2=[NH2+] ZINC001167457119 931939212 /nfs/dbraw/zinc/93/92/12/931939212.db2.gz SGATWLCHQSLTSM-UHFFFAOYSA-N 1 2 352.379 3.575 20 5 FHBDLO CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178110092 932513767 /nfs/dbraw/zinc/51/37/67/932513767.db2.gz WTNACHJGKXAPDK-HOCLYGCPSA-N 1 2 356.426 3.821 20 5 FHBDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1[C@H](C)C[C@H]1C ZINC000548424984 933621722 /nfs/dbraw/zinc/62/17/22/933621722.db2.gz HAJCPPQVDRZEBC-UTUOFQBUSA-N 1 2 360.439 3.528 20 5 FHBDLO Cc1cn2cc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000431210067 934206970 /nfs/dbraw/zinc/20/69/70/934206970.db2.gz REHDGEJCSXCOOG-UHFFFAOYSA-N 1 2 353.382 3.608 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000121740858 935042973 /nfs/dbraw/zinc/04/29/73/935042973.db2.gz NVVPXPKFEMVLNR-UHFFFAOYSA-N 1 2 359.345 3.581 20 5 FHBDLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611938876 936096658 /nfs/dbraw/zinc/09/66/58/936096658.db2.gz ASWMUDSAUAIFSL-STQMWFEESA-N 1 2 353.382 3.760 20 5 FHBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000612041912 939023721 /nfs/dbraw/zinc/02/37/21/939023721.db2.gz ANXHIHCKAWCTJZ-UHFFFAOYSA-N 1 2 362.798 3.627 20 5 FHBDLO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1OC(F)F ZINC000179315922 939080208 /nfs/dbraw/zinc/08/02/08/939080208.db2.gz PMVGKCMDLYAIFY-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO COc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1OC(F)F ZINC000179315922 939080212 /nfs/dbraw/zinc/08/02/12/939080212.db2.gz PMVGKCMDLYAIFY-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181220892 941114615 /nfs/dbraw/zinc/11/46/15/941114615.db2.gz XUMQUPFEMIOWSC-UHFFFAOYSA-N 1 2 374.303 3.839 20 5 FHBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCc2cccnc21 ZINC000377248016 941590065 /nfs/dbraw/zinc/59/00/65/941590065.db2.gz DIECYWGWGJHRDB-INIZCTEOSA-N 1 2 365.393 3.549 20 5 FHBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCc2cccnc21 ZINC000377248016 941590068 /nfs/dbraw/zinc/59/00/68/941590068.db2.gz DIECYWGWGJHRDB-INIZCTEOSA-N 1 2 365.393 3.549 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccsc1 ZINC000128399111 942246141 /nfs/dbraw/zinc/24/61/41/942246141.db2.gz JFEZJKCSVDZYRZ-SNVBAGLBSA-N 1 2 353.831 3.769 20 5 FHBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccsc1 ZINC000128399111 942246144 /nfs/dbraw/zinc/24/61/44/942246144.db2.gz JFEZJKCSVDZYRZ-SNVBAGLBSA-N 1 2 353.831 3.769 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000420940315 942264972 /nfs/dbraw/zinc/26/49/72/942264972.db2.gz DBJXQPQTMXMACU-NSHDSACASA-N 1 2 370.331 3.809 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](CC(F)(F)F)C3)n2)c1 ZINC000420940315 942264974 /nfs/dbraw/zinc/26/49/74/942264974.db2.gz DBJXQPQTMXMACU-NSHDSACASA-N 1 2 370.331 3.809 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949639 942271739 /nfs/dbraw/zinc/27/17/39/942271739.db2.gz OWZPVLOTZLHUJE-NWDGAFQWSA-N 1 2 359.348 3.586 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949639 942271744 /nfs/dbraw/zinc/27/17/44/942271744.db2.gz OWZPVLOTZLHUJE-NWDGAFQWSA-N 1 2 359.348 3.586 20 5 FHBDLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636941 942351387 /nfs/dbraw/zinc/35/13/87/942351387.db2.gz AUCIJIADIOJFCM-GHMZBOCLSA-N 1 2 370.247 3.559 20 5 FHBDLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636941 942351393 /nfs/dbraw/zinc/35/13/93/942351393.db2.gz AUCIJIADIOJFCM-GHMZBOCLSA-N 1 2 370.247 3.559 20 5 FHBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378276593 942506747 /nfs/dbraw/zinc/50/67/47/942506747.db2.gz JNEOEKNHYPPYFJ-UHFFFAOYSA-N 1 2 374.400 3.691 20 5 FHBDLO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806423 942759350 /nfs/dbraw/zinc/75/93/50/942759350.db2.gz YPDUQJJCWMZZFT-ACJLOTCBSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000502806423 942759352 /nfs/dbraw/zinc/75/93/52/942759352.db2.gz YPDUQJJCWMZZFT-ACJLOTCBSA-N 1 2 362.813 3.565 20 5 FHBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccccc2Br)cs1 ZINC000514246421 942862248 /nfs/dbraw/zinc/86/22/48/942862248.db2.gz LFMHIDXPTXPPEX-CYBMUJFWSA-N 1 2 371.256 3.632 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503190393 943050747 /nfs/dbraw/zinc/05/07/47/943050747.db2.gz QDDMATXSDRCYMW-JKSUJKDBSA-N 1 2 355.438 3.807 20 5 FHBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503190393 943050753 /nfs/dbraw/zinc/05/07/53/943050753.db2.gz QDDMATXSDRCYMW-JKSUJKDBSA-N 1 2 355.438 3.807 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000505613388 943177355 /nfs/dbraw/zinc/17/73/55/943177355.db2.gz USKIUFDHPPXMMJ-INIZCTEOSA-N 1 2 358.369 3.842 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000505613388 943177359 /nfs/dbraw/zinc/17/73/59/943177359.db2.gz USKIUFDHPPXMMJ-INIZCTEOSA-N 1 2 358.369 3.842 20 5 FHBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000514966890 943412870 /nfs/dbraw/zinc/41/28/70/943412870.db2.gz RSGFTOFGNFWBMU-OAHLLOKOSA-N 1 2 368.792 3.873 20 5 FHBDLO Cc1cc(C)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000515088540 943495479 /nfs/dbraw/zinc/49/54/79/943495479.db2.gz OZPSKWFOFXXGRL-UHFFFAOYSA-N 1 2 364.405 3.636 20 5 FHBDLO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518399569 944339640 /nfs/dbraw/zinc/33/96/40/944339640.db2.gz XZVTZYSAMLYNLC-AWEZNQCLSA-N 1 2 364.808 3.859 20 5 FHBDLO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518399569 944339646 /nfs/dbraw/zinc/33/96/46/944339646.db2.gz XZVTZYSAMLYNLC-AWEZNQCLSA-N 1 2 364.808 3.859 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000506203771 944483192 /nfs/dbraw/zinc/48/31/92/944483192.db2.gz DWXBWLSGGSFVBH-UHFFFAOYSA-N 1 2 374.466 3.840 20 5 FHBDLO COc1c(O)ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1[N+](=O)[O-] ZINC000894745395 944531865 /nfs/dbraw/zinc/53/18/65/944531865.db2.gz LYEPDFWHDDTANI-NSHDSACASA-N 1 2 368.311 3.503 20 5 FHBDLO COc1ccc(-c2ccc(C[N@@H+]3CCc4ncsc4C3)o2)c([N+](=O)[O-])c1 ZINC000438378197 944545924 /nfs/dbraw/zinc/54/59/24/944545924.db2.gz SMTGAEUSJWURMY-UHFFFAOYSA-N 1 2 371.418 3.878 20 5 FHBDLO COc1ccc(-c2ccc(C[N@H+]3CCc4ncsc4C3)o2)c([N+](=O)[O-])c1 ZINC000438378197 944545926 /nfs/dbraw/zinc/54/59/26/944545926.db2.gz SMTGAEUSJWURMY-UHFFFAOYSA-N 1 2 371.418 3.878 20 5 FHBDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000894771757 944569477 /nfs/dbraw/zinc/56/94/77/944569477.db2.gz UVOCTRZUPOARPN-CYBMUJFWSA-N 1 2 366.425 3.640 20 5 FHBDLO Cc1c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cccc1[N+](=O)[O-] ZINC000107179056 945512651 /nfs/dbraw/zinc/51/26/51/945512651.db2.gz SURCANISDCCWCB-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000519517562 945522767 /nfs/dbraw/zinc/52/27/67/945522767.db2.gz LAMMUIKPJLYHPU-ZDUSSCGKSA-N 1 2 374.466 3.779 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1OC(F)F ZINC000053781821 945540065 /nfs/dbraw/zinc/54/00/65/945540065.db2.gz JPAXIWXNOVBNSO-UHFFFAOYSA-N 1 2 358.366 3.898 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1OC(F)F ZINC000053781821 945540071 /nfs/dbraw/zinc/54/00/71/945540071.db2.gz JPAXIWXNOVBNSO-UHFFFAOYSA-N 1 2 358.366 3.898 20 5 FHBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc2cc[nH]c2c1 ZINC001271557136 945862935 /nfs/dbraw/zinc/86/29/35/945862935.db2.gz JUZJUUWTVGNJSM-UHFFFAOYSA-N 1 2 361.361 3.538 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)o2)c1 ZINC000121240096 946102474 /nfs/dbraw/zinc/10/24/74/946102474.db2.gz PPTRQCPRLZYJEV-OAHLLOKOSA-N 1 2 352.394 3.958 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)o2)c1 ZINC000121240096 946102481 /nfs/dbraw/zinc/10/24/81/946102481.db2.gz PPTRQCPRLZYJEV-OAHLLOKOSA-N 1 2 352.394 3.958 20 5 FHBDLO CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109515782 946316870 /nfs/dbraw/zinc/31/68/70/946316870.db2.gz MOQQYNOYJLZIAK-OAHLLOKOSA-N 1 2 356.426 3.821 20 5 FHBDLO CNc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000523312252 947098678 /nfs/dbraw/zinc/09/86/78/947098678.db2.gz KHOUQYOJQGXQSU-UHFFFAOYSA-N 1 2 371.784 3.728 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@@H]2C ZINC000444679710 947104367 /nfs/dbraw/zinc/10/43/67/947104367.db2.gz BINFIPDSXZQRSB-QWHCGFSZSA-N 1 2 366.421 3.988 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@@H]2C ZINC000444679710 947104372 /nfs/dbraw/zinc/10/43/72/947104372.db2.gz BINFIPDSXZQRSB-QWHCGFSZSA-N 1 2 366.421 3.988 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248792401 947673058 /nfs/dbraw/zinc/67/30/58/947673058.db2.gz NZWIVKWZLAYMAS-SMDDNHRTSA-N 1 2 373.375 3.832 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248792401 947673061 /nfs/dbraw/zinc/67/30/61/947673061.db2.gz NZWIVKWZLAYMAS-SMDDNHRTSA-N 1 2 373.375 3.832 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC2(CCCC2)C1 ZINC000438560399 947866927 /nfs/dbraw/zinc/86/69/27/947866927.db2.gz FUOAAXQPYIKJHE-UHFFFAOYSA-N 1 2 354.410 3.577 20 5 FHBDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441480283 947897860 /nfs/dbraw/zinc/89/78/60/947897860.db2.gz XWONVFIRKLYCSZ-IBGZPJMESA-N 1 2 364.405 3.579 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000184644326 948060607 /nfs/dbraw/zinc/06/06/07/948060607.db2.gz MVWARZGECNHRNW-LSDHHAIUSA-N 1 2 360.483 3.800 20 5 FHBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000053111066 948623900 /nfs/dbraw/zinc/62/39/00/948623900.db2.gz BVRHKYSKBCQMQF-UHFFFAOYSA-N 1 2 367.327 3.684 20 5 FHBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000053111066 948623902 /nfs/dbraw/zinc/62/39/02/948623902.db2.gz BVRHKYSKBCQMQF-UHFFFAOYSA-N 1 2 367.327 3.684 20 5 FHBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000090111363 948665182 /nfs/dbraw/zinc/66/51/82/948665182.db2.gz STSYTSTYNNXJJY-QAPCUYQASA-N 1 2 363.421 3.941 20 5 FHBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868393 210190489 /nfs/dbraw/zinc/19/04/89/210190489.db2.gz HNWDWPJTCUOGBY-SUMWQHHRSA-N 1 2 365.393 3.623 20 5 FHBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868393 210190492 /nfs/dbraw/zinc/19/04/92/210190492.db2.gz HNWDWPJTCUOGBY-SUMWQHHRSA-N 1 2 365.393 3.623 20 5 FHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1Cl ZINC000014428721 211092127 /nfs/dbraw/zinc/09/21/27/211092127.db2.gz JFMIRPQIECYKID-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000016565362 132373598 /nfs/dbraw/zinc/37/35/98/132373598.db2.gz VYKXNEQNIDCEKC-UHFFFAOYSA-N 1 2 365.355 3.936 20 5 FHBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000481463567 567967767 /nfs/dbraw/zinc/96/77/67/567967767.db2.gz HIIFJNPTGWGRGI-UHFFFAOYSA-N 1 2 374.828 3.598 20 5 FHBDLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000570105916 568451329 /nfs/dbraw/zinc/45/13/29/568451329.db2.gz FMNJKVFHOFNGOF-MLGOLLRUSA-N 1 2 350.378 3.983 20 5 FHBDLO CCOC(=O)c1ccnc(Nc2ccc(NC3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000582992101 936349940 /nfs/dbraw/zinc/34/99/40/936349940.db2.gz SGNBXYKVJRORDL-UHFFFAOYSA-N 1 2 371.397 3.660 20 5 FHBDLO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000216527640 927112002 /nfs/dbraw/zinc/11/20/02/927112002.db2.gz JHGATYUAVLAWFR-CQSZACIVSA-N 1 2 359.401 3.973 20 5 FHBDLO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC000216527640 927112008 /nfs/dbraw/zinc/11/20/08/927112008.db2.gz JHGATYUAVLAWFR-CQSZACIVSA-N 1 2 359.401 3.973 20 5 FHBDLO CNC(=O)c1ccc(Nc2ccc([NH+]3CCC(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000064905094 930190066 /nfs/dbraw/zinc/19/00/66/930190066.db2.gz LYGMKKIVFZQHFF-UHFFFAOYSA-N 1 2 368.437 3.934 20 5 FHBDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661388 932837659 /nfs/dbraw/zinc/83/76/59/932837659.db2.gz DLVIPOHQEJKRMR-QWHCGFSZSA-N 1 2 367.421 3.612 20 5 FHBDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000134661388 932837666 /nfs/dbraw/zinc/83/76/66/932837666.db2.gz DLVIPOHQEJKRMR-QWHCGFSZSA-N 1 2 367.421 3.612 20 5 FHBDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000510524446 933179475 /nfs/dbraw/zinc/17/94/75/933179475.db2.gz PCKZZMPIKXUCNQ-UHFFFAOYSA-N 1 2 360.483 3.671 20 5 FHBDLO C[N@H+](CCCOCc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510768759 933689370 /nfs/dbraw/zinc/68/93/70/933689370.db2.gz ZKKUPTQTJSGUBB-UHFFFAOYSA-N 1 2 350.365 3.912 20 5 FHBDLO C[N@@H+](CCCOCc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510768759 933689373 /nfs/dbraw/zinc/68/93/73/933689373.db2.gz ZKKUPTQTJSGUBB-UHFFFAOYSA-N 1 2 350.365 3.912 20 5 FHBDLO Cc1noc(C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)c2ccccc2)n1 ZINC000510812940 933783739 /nfs/dbraw/zinc/78/37/39/933783739.db2.gz SOFKUYAGJCEZLB-QGZVFWFLSA-N 1 2 374.347 3.638 20 5 FHBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793854 934387344 /nfs/dbraw/zinc/38/73/44/934387344.db2.gz XKAQGGQKQBSIBD-UONOGXRCSA-N 1 2 371.412 3.705 20 5 FHBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793854 934387353 /nfs/dbraw/zinc/38/73/53/934387353.db2.gz XKAQGGQKQBSIBD-UONOGXRCSA-N 1 2 371.412 3.705 20 5 FHBDLO COc1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000187677735 934425968 /nfs/dbraw/zinc/42/59/68/934425968.db2.gz XDNSHHMPQHLHMH-UHFFFAOYSA-N 1 2 354.406 3.659 20 5 FHBDLO COc1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c([N+](=O)[O-])cc1OC ZINC000187677735 934425972 /nfs/dbraw/zinc/42/59/72/934425972.db2.gz XDNSHHMPQHLHMH-UHFFFAOYSA-N 1 2 354.406 3.659 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000611686058 936023123 /nfs/dbraw/zinc/02/31/23/936023123.db2.gz MXXYNWILXHTUIQ-CQSZACIVSA-N 1 2 358.291 3.576 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000507325376 945146442 /nfs/dbraw/zinc/14/64/42/945146442.db2.gz LGCFROAXJJOTSX-UHFFFAOYSA-N 1 2 374.466 3.840 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000507325376 945146449 /nfs/dbraw/zinc/14/64/49/945146449.db2.gz LGCFROAXJJOTSX-UHFFFAOYSA-N 1 2 374.466 3.840 20 5 FHBDLO COc1cc(C[NH2+][C@H](C)c2c(C)noc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000612461853 936250661 /nfs/dbraw/zinc/25/06/61/936250661.db2.gz LSSUBOGDAWCETD-MRVPVSSYSA-N 1 2 371.340 3.660 20 5 FHBDLO FC1(F)C[NH2+]CC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211582712 938265328 /nfs/dbraw/zinc/26/53/28/938265328.db2.gz KOIWYLNRVILQLM-ZDUSSCGKSA-N 1 2 367.359 3.545 20 5 FHBDLO COCC[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506004481 945167603 /nfs/dbraw/zinc/16/76/03/945167603.db2.gz AEYXGFZGASSQDD-UHFFFAOYSA-N 1 2 372.393 3.906 20 5 FHBDLO COCC[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506004481 945167608 /nfs/dbraw/zinc/16/76/08/945167608.db2.gz AEYXGFZGASSQDD-UHFFFAOYSA-N 1 2 372.393 3.906 20 5 FHBDLO O=[N+]([O-])c1ccsc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000612090940 939049068 /nfs/dbraw/zinc/04/90/68/939049068.db2.gz ACVBPHMLMGCKHK-UHFFFAOYSA-N 1 2 354.435 3.658 20 5 FHBDLO CCCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179613328 939895535 /nfs/dbraw/zinc/89/55/35/939895535.db2.gz WXXGEZJJKCVVIX-MRXNPFEDSA-N 1 2 368.499 3.507 20 5 FHBDLO CCCC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179613328 939895538 /nfs/dbraw/zinc/89/55/38/939895538.db2.gz WXXGEZJJKCVVIX-MRXNPFEDSA-N 1 2 368.499 3.507 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614253584 939903420 /nfs/dbraw/zinc/90/34/20/939903420.db2.gz OQLIMANOMJBRCB-UHFFFAOYSA-N 1 2 356.369 3.589 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614253584 939903421 /nfs/dbraw/zinc/90/34/21/939903421.db2.gz OQLIMANOMJBRCB-UHFFFAOYSA-N 1 2 356.369 3.589 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612347442 940015618 /nfs/dbraw/zinc/01/56/18/940015618.db2.gz XJURIQSAWXRHLG-UHFFFAOYSA-N 1 2 360.439 3.809 20 5 FHBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000124829818 945322267 /nfs/dbraw/zinc/32/22/67/945322267.db2.gz JQHDBXXAYQEIOS-ZDUSSCGKSA-N 1 2 368.393 3.894 20 5 FHBDLO CN(c1ccccc1)c1ccc(CN2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000581103333 940493772 /nfs/dbraw/zinc/49/37/72/940493772.db2.gz OMMRKRNEVXFJRT-UHFFFAOYSA-N 1 2 363.421 3.575 20 5 FHBDLO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 ZINC000180417589 941004628 /nfs/dbraw/zinc/00/46/28/941004628.db2.gz PKQJMQDHPANWNP-LBPRGKRZSA-N 1 2 371.828 3.988 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000541005295 941099188 /nfs/dbraw/zinc/09/91/88/941099188.db2.gz NLXNSXQUPRNUBF-OAHLLOKOSA-N 1 2 358.417 3.629 20 5 FHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3F)no2)cc1[N+](=O)[O-] ZINC000189170241 941149362 /nfs/dbraw/zinc/14/93/62/941149362.db2.gz CVDYEIFOFRFTEB-LBPRGKRZSA-N 1 2 356.357 3.943 20 5 FHBDLO COc1cnccc1[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000189544339 941161099 /nfs/dbraw/zinc/16/10/99/941161099.db2.gz RSHVDCZHIHAAMU-GFCCVEGCSA-N 1 2 370.434 3.973 20 5 FHBDLO CC(C)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000189712489 941264822 /nfs/dbraw/zinc/26/48/22/941264822.db2.gz MNMRDUIRBWWRFU-UHFFFAOYSA-N 1 2 356.426 3.735 20 5 FHBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533926712 941393923 /nfs/dbraw/zinc/39/39/23/941393923.db2.gz QPFUNWQUPUIANO-ZDUSSCGKSA-N 1 2 361.442 3.609 20 5 FHBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533926712 941393928 /nfs/dbraw/zinc/39/39/28/941393928.db2.gz QPFUNWQUPUIANO-ZDUSSCGKSA-N 1 2 361.442 3.609 20 5 FHBDLO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCc2cccnc21 ZINC000377248017 941590149 /nfs/dbraw/zinc/59/01/49/941590149.db2.gz DIECYWGWGJHRDB-MRXNPFEDSA-N 1 2 365.393 3.549 20 5 FHBDLO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CCCc2cccnc21 ZINC000377248017 941590152 /nfs/dbraw/zinc/59/01/52/941590152.db2.gz DIECYWGWGJHRDB-MRXNPFEDSA-N 1 2 365.393 3.549 20 5 FHBDLO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cscn3)CC2)c2ccncc21 ZINC000377539974 941796427 /nfs/dbraw/zinc/79/64/27/941796427.db2.gz LGNCMBLDXPVPSM-UHFFFAOYSA-N 1 2 369.450 3.676 20 5 FHBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000365596578 941803723 /nfs/dbraw/zinc/80/37/23/941803723.db2.gz YQDTYBPGNQHUHC-OAHLLOKOSA-N 1 2 370.453 3.646 20 5 FHBDLO O=C(Nc1ccccc1)NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103469826 942273206 /nfs/dbraw/zinc/27/32/06/942273206.db2.gz UWGRIVAQOKOSCW-UHFFFAOYSA-N 1 2 372.400 3.520 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493696 942711046 /nfs/dbraw/zinc/71/10/46/942711046.db2.gz UXXKZMQAHBSTJS-UHFFFAOYSA-N 1 2 371.412 3.803 20 5 FHBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000503199824 943049492 /nfs/dbraw/zinc/04/94/92/943049492.db2.gz XSJQVSWTDPBFGV-HZPDHXFCSA-N 1 2 355.438 3.807 20 5 FHBDLO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000503199824 943049500 /nfs/dbraw/zinc/04/95/00/943049500.db2.gz XSJQVSWTDPBFGV-HZPDHXFCSA-N 1 2 355.438 3.807 20 5 FHBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1SC ZINC000505571191 943051261 /nfs/dbraw/zinc/05/12/61/943051261.db2.gz WDXVWHHGSFXFPU-UHFFFAOYSA-N 1 2 373.478 3.648 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000503419219 943174824 /nfs/dbraw/zinc/17/48/24/943174824.db2.gz NIQHTENYCLZMFB-UHFFFAOYSA-N 1 2 356.407 3.997 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000436423831 944296850 /nfs/dbraw/zinc/29/68/50/944296850.db2.gz AWKXFHNJLKFFNQ-UGSOOPFHSA-N 1 2 357.385 3.532 20 5 FHBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000436423831 944296854 /nfs/dbraw/zinc/29/68/54/944296854.db2.gz AWKXFHNJLKFFNQ-UGSOOPFHSA-N 1 2 357.385 3.532 20 5 FHBDLO CNC(=O)c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000053548461 944343677 /nfs/dbraw/zinc/34/36/77/944343677.db2.gz VPPFPXCOGUHEQH-UHFFFAOYSA-N 1 2 354.410 3.688 20 5 FHBDLO Cc1cccc2c1C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000759884485 944725177 /nfs/dbraw/zinc/72/51/77/944725177.db2.gz VOEXGPZAUBHDHI-UHFFFAOYSA-N 1 2 359.813 3.553 20 5 FHBDLO Cc1cccc2c1C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000759884485 944725184 /nfs/dbraw/zinc/72/51/84/944725184.db2.gz VOEXGPZAUBHDHI-UHFFFAOYSA-N 1 2 359.813 3.553 20 5 FHBDLO CSc1cc2c(cc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OCCO2 ZINC000507144703 944980861 /nfs/dbraw/zinc/98/08/61/944980861.db2.gz QNDPYYBYGLXMQB-UHFFFAOYSA-N 1 2 360.435 3.720 20 5 FHBDLO CSc1cc2c(cc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])OCCO2 ZINC000507144703 944980863 /nfs/dbraw/zinc/98/08/63/944980863.db2.gz QNDPYYBYGLXMQB-UHFFFAOYSA-N 1 2 360.435 3.720 20 5 FHBDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000507673930 945424207 /nfs/dbraw/zinc/42/42/07/945424207.db2.gz QDFBYVIWTKKKPY-AWEZNQCLSA-N 1 2 361.392 3.752 20 5 FHBDLO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC(F)(F)C3)no2)ccc1-n1cc[nH+]c1 ZINC000281253789 945568922 /nfs/dbraw/zinc/56/89/22/945568922.db2.gz DWFBHRFQSKFTMO-NSHDSACASA-N 1 2 361.308 3.733 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)o1 ZINC000121220665 945721200 /nfs/dbraw/zinc/72/12/00/945721200.db2.gz PFTPICUULJBUFC-CQSZACIVSA-N 1 2 352.394 3.958 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)o1 ZINC000121220665 945721221 /nfs/dbraw/zinc/72/12/21/945721221.db2.gz PFTPICUULJBUFC-CQSZACIVSA-N 1 2 352.394 3.958 20 5 FHBDLO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000111312259 946437051 /nfs/dbraw/zinc/43/70/51/946437051.db2.gz HOVMWLUMEZITTC-INIZCTEOSA-N 1 2 374.466 3.616 20 5 FHBDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000111312259 946437058 /nfs/dbraw/zinc/43/70/58/946437058.db2.gz HOVMWLUMEZITTC-INIZCTEOSA-N 1 2 374.466 3.616 20 5 FHBDLO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H](CCO)c2ccco2)c2ccccc2)c1 ZINC000186555443 946551862 /nfs/dbraw/zinc/55/18/62/946551862.db2.gz WLBFKOJPMWUXPS-UYAOXDASSA-N 1 2 352.390 3.991 20 5 FHBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(Br)cc1 ZINC000475524160 946576137 /nfs/dbraw/zinc/57/61/37/946576137.db2.gz GKVCBICFKYIJQR-UHFFFAOYSA-N 1 2 367.247 3.501 20 5 FHBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(Br)cc1 ZINC000475524160 946576127 /nfs/dbraw/zinc/57/61/27/946576127.db2.gz GKVCBICFKYIJQR-UHFFFAOYSA-N 1 2 367.247 3.501 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000184482434 946834702 /nfs/dbraw/zinc/83/47/02/946834702.db2.gz IYMNKTQTVCTHDM-UHFFFAOYSA-N 1 2 372.425 3.896 20 5 FHBDLO CC(C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000546540396 946931227 /nfs/dbraw/zinc/93/12/27/946931227.db2.gz NVSDURFLROHOCQ-UHFFFAOYSA-N 1 2 368.368 3.836 20 5 FHBDLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000438513872 947092344 /nfs/dbraw/zinc/09/23/44/947092344.db2.gz LGPLGPKFCYMNTB-SNVBAGLBSA-N 1 2 355.225 3.717 20 5 FHBDLO C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000438513872 947092355 /nfs/dbraw/zinc/09/23/55/947092355.db2.gz LGPLGPKFCYMNTB-SNVBAGLBSA-N 1 2 355.225 3.717 20 5 FHBDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049974187 947179665 /nfs/dbraw/zinc/17/96/65/947179665.db2.gz IADOAGCYFBJMHG-KUHUBIRLSA-N 1 2 365.389 3.894 20 5 FHBDLO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000441454445 947537466 /nfs/dbraw/zinc/53/74/66/947537466.db2.gz SSARTGNJSQMQOW-OXQOHEQNSA-N 1 2 356.422 3.744 20 5 FHBDLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000441454445 947537472 /nfs/dbraw/zinc/53/74/72/947537472.db2.gz SSARTGNJSQMQOW-OXQOHEQNSA-N 1 2 356.422 3.744 20 5 FHBDLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000441454435 947537555 /nfs/dbraw/zinc/53/75/55/947537555.db2.gz SSARTGNJSQMQOW-JXFKEZNVSA-N 1 2 356.422 3.744 20 5 FHBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000441454435 947537558 /nfs/dbraw/zinc/53/75/58/947537558.db2.gz SSARTGNJSQMQOW-JXFKEZNVSA-N 1 2 356.422 3.744 20 5 FHBDLO Cc1cn2cc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)ccc2[nH+]1 ZINC000445177181 947569534 /nfs/dbraw/zinc/56/95/34/947569534.db2.gz SHRHYIGXYOLIBG-UHFFFAOYSA-N 1 2 368.396 3.890 20 5 FHBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868389 210191532 /nfs/dbraw/zinc/19/15/32/210191532.db2.gz HNWDWPJTCUOGBY-GUYCJALGSA-N 1 2 365.393 3.623 20 5 FHBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000359868389 210191534 /nfs/dbraw/zinc/19/15/34/210191534.db2.gz HNWDWPJTCUOGBY-GUYCJALGSA-N 1 2 365.393 3.623 20 5 FHBDLO Cc1cccc(CCSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC000568393494 568036668 /nfs/dbraw/zinc/03/66/68/568036668.db2.gz CZPZLZAYXMAQBF-UHFFFAOYSA-N 1 2 373.434 3.572 20 5 FHBDLO O=C(C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000481787691 568128813 /nfs/dbraw/zinc/12/88/13/568128813.db2.gz XYYVBJPHYINJBV-UHFFFAOYSA-N 1 2 371.824 3.976 20 5 FHBDLO O=C(C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000481787691 568128814 /nfs/dbraw/zinc/12/88/14/568128814.db2.gz XYYVBJPHYINJBV-UHFFFAOYSA-N 1 2 371.824 3.976 20 5 FHBDLO CC(=O)N(c1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1)C1CC1 ZINC000291644850 568240316 /nfs/dbraw/zinc/24/03/16/568240316.db2.gz BZPKEUWMLNSCEE-UHFFFAOYSA-N 1 2 374.466 3.592 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000541952790 568272832 /nfs/dbraw/zinc/27/28/32/568272832.db2.gz UANVYMOOIMNJHI-UONOGXRCSA-N 1 2 369.421 3.550 20 5 FHBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000541952790 568272834 /nfs/dbraw/zinc/27/28/34/568272834.db2.gz UANVYMOOIMNJHI-UONOGXRCSA-N 1 2 369.421 3.550 20 5 FHBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c2ncccc12 ZINC000051856285 568477636 /nfs/dbraw/zinc/47/76/36/568477636.db2.gz OIBKHNOMGYFYJA-UHFFFAOYSA-N 1 2 359.389 4.000 20 5 FHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889778 932690199 /nfs/dbraw/zinc/69/01/99/932690199.db2.gz RFJGRUZSFGONLC-CYBMUJFWSA-N 1 2 368.418 3.900 20 5 FHBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610756132 932788127 /nfs/dbraw/zinc/78/81/27/932788127.db2.gz YKMHNKUTMVEYAL-HZPDHXFCSA-N 1 2 361.467 3.748 20 5 FHBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610756132 932788138 /nfs/dbraw/zinc/78/81/38/932788138.db2.gz YKMHNKUTMVEYAL-HZPDHXFCSA-N 1 2 361.467 3.748 20 5 FHBDLO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000610737397 934028283 /nfs/dbraw/zinc/02/82/83/934028283.db2.gz WMZWEJDDNDBNID-KBXCAEBGSA-N 1 2 362.451 3.887 20 5 FHBDLO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000610737397 934028293 /nfs/dbraw/zinc/02/82/93/934028293.db2.gz WMZWEJDDNDBNID-KBXCAEBGSA-N 1 2 362.451 3.887 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)cn1 ZINC000535785675 934375088 /nfs/dbraw/zinc/37/50/88/934375088.db2.gz KMTOTOASRRKPKV-UHFFFAOYSA-N 1 2 372.812 3.712 20 5 FHBDLO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610944771 934637856 /nfs/dbraw/zinc/63/78/56/934637856.db2.gz YSDNIPRRHIMKKK-QGZVFWFLSA-N 1 2 369.421 3.769 20 5 FHBDLO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000610944771 934637859 /nfs/dbraw/zinc/63/78/59/934637859.db2.gz YSDNIPRRHIMKKK-QGZVFWFLSA-N 1 2 369.421 3.769 20 5 FHBDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccccc1[N+](=O)[O-] ZINC000065227744 934750677 /nfs/dbraw/zinc/75/06/77/934750677.db2.gz JDRPGTKSTVUUNF-UHFFFAOYSA-N 1 2 351.362 3.932 20 5 FHBDLO Cc1cnc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277294405 934893867 /nfs/dbraw/zinc/89/38/67/934893867.db2.gz BYDYNFKGVIBBLW-CYBMUJFWSA-N 1 2 374.466 3.566 20 5 FHBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511121878 935690771 /nfs/dbraw/zinc/69/07/71/935690771.db2.gz FMRPPBVAKDASEN-AWEZNQCLSA-N 1 2 352.394 3.880 20 5 FHBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511121878 935690773 /nfs/dbraw/zinc/69/07/73/935690773.db2.gz FMRPPBVAKDASEN-AWEZNQCLSA-N 1 2 352.394 3.880 20 5 FHBDLO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(Cl)c1 ZINC000023822755 935828306 /nfs/dbraw/zinc/82/83/06/935828306.db2.gz DMECEANHCOCOIL-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(Cl)c1 ZINC000023822755 935828308 /nfs/dbraw/zinc/82/83/08/935828308.db2.gz DMECEANHCOCOIL-UHFFFAOYSA-N 1 2 358.785 3.930 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000277899216 936119617 /nfs/dbraw/zinc/11/96/17/936119617.db2.gz DYEQKJOVXCDHNS-OAHLLOKOSA-N 1 2 369.421 3.549 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1C ZINC000179486758 939173688 /nfs/dbraw/zinc/17/36/88/939173688.db2.gz FOVFYNYQFFEOOD-UHFFFAOYSA-N 1 2 371.437 3.813 20 5 FHBDLO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OC)cc1 ZINC000053087436 939958110 /nfs/dbraw/zinc/95/81/10/939958110.db2.gz NEQXQVOFVLMVQR-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(OC)cc1 ZINC000053087436 939958115 /nfs/dbraw/zinc/95/81/15/939958115.db2.gz NEQXQVOFVLMVQR-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO Cc1ccccc1Cc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000548933326 940093713 /nfs/dbraw/zinc/09/37/13/940093713.db2.gz CJCZZCHIUKVZCC-UHFFFAOYSA-N 1 2 366.421 3.552 20 5 FHBDLO Cc1ccccc1Cc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000548933326 940093715 /nfs/dbraw/zinc/09/37/15/940093715.db2.gz CJCZZCHIUKVZCC-UHFFFAOYSA-N 1 2 366.421 3.552 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000189585845 941166010 /nfs/dbraw/zinc/16/60/10/941166010.db2.gz QOFUJFRNZNVOOP-AWEZNQCLSA-N 1 2 368.311 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000103170475 941247437 /nfs/dbraw/zinc/24/74/37/941247437.db2.gz LCVGPMLMJFBWEY-UHFFFAOYSA-N 1 2 369.402 3.737 20 5 FHBDLO C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000189667059 941250438 /nfs/dbraw/zinc/25/04/38/941250438.db2.gz UCJDISXECUIUQE-UHFFFAOYSA-N 1 2 354.385 3.611 20 5 FHBDLO C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1[N+](=O)[O-] ZINC000189667059 941250439 /nfs/dbraw/zinc/25/04/39/941250439.db2.gz UCJDISXECUIUQE-UHFFFAOYSA-N 1 2 354.385 3.611 20 5 FHBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000729339895 941723425 /nfs/dbraw/zinc/72/34/25/941723425.db2.gz DTLYESKHENEXQP-MRXNPFEDSA-N 1 2 372.450 3.851 20 5 FHBDLO O=[N+]([O-])c1cnc(NCCCCNc2cccc[nH+]2)c(C(F)(F)F)c1 ZINC000413118668 942302993 /nfs/dbraw/zinc/30/29/93/942302993.db2.gz URPSGFBNLJBMGW-UHFFFAOYSA-N 1 2 355.320 3.708 20 5 FHBDLO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636942 942326897 /nfs/dbraw/zinc/32/68/97/942326897.db2.gz AUCIJIADIOJFCM-MNOVXSKESA-N 1 2 370.247 3.559 20 5 FHBDLO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636942 942326903 /nfs/dbraw/zinc/32/69/03/942326903.db2.gz AUCIJIADIOJFCM-MNOVXSKESA-N 1 2 370.247 3.559 20 5 FHBDLO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000584564044 942603532 /nfs/dbraw/zinc/60/35/32/942603532.db2.gz MNOWAXHYKMEUAV-INIZCTEOSA-N 1 2 370.453 3.614 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(CSC(F)F)o3)nc2c1 ZINC000278825185 942714136 /nfs/dbraw/zinc/71/41/36/942714136.db2.gz ZUWGAJFXDDDDOQ-UHFFFAOYSA-N 1 2 368.365 3.810 20 5 FHBDLO CC[C@@H]([NH2+]Cc1nc(-c2cccc(OC)c2)no1)c1cccc([N+](=O)[O-])c1 ZINC000378465477 942796656 /nfs/dbraw/zinc/79/66/56/942796656.db2.gz WNMBUKMEJLXIKA-QGZVFWFLSA-N 1 2 368.393 3.894 20 5 FHBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CCO)c2ccccc2Br)cs1 ZINC000514246422 942862153 /nfs/dbraw/zinc/86/21/53/942862153.db2.gz LFMHIDXPTXPPEX-ZDUSSCGKSA-N 1 2 371.256 3.632 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)o1 ZINC000434789680 942968685 /nfs/dbraw/zinc/96/86/85/942968685.db2.gz ZJYYXTYCXNYZJO-MRXNPFEDSA-N 1 2 355.438 3.961 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)o1 ZINC000434789680 942968687 /nfs/dbraw/zinc/96/86/87/942968687.db2.gz ZJYYXTYCXNYZJO-MRXNPFEDSA-N 1 2 355.438 3.961 20 5 FHBDLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000434895380 943032931 /nfs/dbraw/zinc/03/29/31/943032931.db2.gz JUJQYCXOVCMZTP-SNVBAGLBSA-N 1 2 355.225 3.717 20 5 FHBDLO C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000434895380 943032936 /nfs/dbraw/zinc/03/29/36/943032936.db2.gz JUJQYCXOVCMZTP-SNVBAGLBSA-N 1 2 355.225 3.717 20 5 FHBDLO CC(C)Cc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000505605433 943168536 /nfs/dbraw/zinc/16/85/36/943168536.db2.gz GXHPQSWQCZYHRL-UHFFFAOYSA-N 1 2 360.483 3.572 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000505613699 943206697 /nfs/dbraw/zinc/20/66/97/943206697.db2.gz USKIUFDHPPXMMJ-MRXNPFEDSA-N 1 2 358.369 3.842 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000505613699 943206699 /nfs/dbraw/zinc/20/66/99/943206699.db2.gz USKIUFDHPPXMMJ-MRXNPFEDSA-N 1 2 358.369 3.842 20 5 FHBDLO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531024 943892329 /nfs/dbraw/zinc/89/23/29/943892329.db2.gz ZFFNEBFILLZDJD-HIFRSBDPSA-N 1 2 369.874 3.547 20 5 FHBDLO O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000437531024 943892337 /nfs/dbraw/zinc/89/23/37/943892337.db2.gz ZFFNEBFILLZDJD-HIFRSBDPSA-N 1 2 369.874 3.547 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(Cc4ccco4)CC3)o2)c1 ZINC000506151686 944180010 /nfs/dbraw/zinc/18/00/10/944180010.db2.gz RUNSKDIHRGBVGO-UHFFFAOYSA-N 1 2 367.405 3.766 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000518294028 944255483 /nfs/dbraw/zinc/25/54/83/944255483.db2.gz QVWUYGRSLOEOGE-UHFFFAOYSA-N 1 2 366.308 3.918 20 5 FHBDLO CC(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439147353 944378255 /nfs/dbraw/zinc/37/82/55/944378255.db2.gz RLSONOAWBLRQOB-FQEVSTJZSA-N 1 2 367.449 3.847 20 5 FHBDLO CC(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000439147353 944378264 /nfs/dbraw/zinc/37/82/64/944378264.db2.gz RLSONOAWBLRQOB-FQEVSTJZSA-N 1 2 367.449 3.847 20 5 FHBDLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000438513869 944703632 /nfs/dbraw/zinc/70/36/32/944703632.db2.gz LGPLGPKFCYMNTB-JTQLQIEISA-N 1 2 355.225 3.717 20 5 FHBDLO C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000438513869 944703640 /nfs/dbraw/zinc/70/36/40/944703640.db2.gz LGPLGPKFCYMNTB-JTQLQIEISA-N 1 2 355.225 3.717 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053717764 944747369 /nfs/dbraw/zinc/74/73/69/944747369.db2.gz PFUHAMHLRCKDJU-QGZVFWFLSA-N 1 2 373.384 3.518 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000053717764 944747378 /nfs/dbraw/zinc/74/73/78/944747378.db2.gz PFUHAMHLRCKDJU-QGZVFWFLSA-N 1 2 373.384 3.518 20 5 FHBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000549535931 945853157 /nfs/dbraw/zinc/85/31/57/945853157.db2.gz MESZXQFKXDXFHR-SNVBAGLBSA-N 1 2 351.200 3.914 20 5 FHBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000066882110 946100165 /nfs/dbraw/zinc/10/01/65/946100165.db2.gz QWUROXQSBKPFDX-LJQANCHMSA-N 1 2 366.396 3.788 20 5 FHBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000066882110 946100173 /nfs/dbraw/zinc/10/01/73/946100173.db2.gz QWUROXQSBKPFDX-LJQANCHMSA-N 1 2 366.396 3.788 20 5 FHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000323774082 946255757 /nfs/dbraw/zinc/25/57/57/946255757.db2.gz BWSNPMOCGCEZLI-ZDUSSCGKSA-N 1 2 352.740 3.528 20 5 FHBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000323774082 946255767 /nfs/dbraw/zinc/25/57/67/946255767.db2.gz BWSNPMOCGCEZLI-ZDUSSCGKSA-N 1 2 352.740 3.528 20 5 FHBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccncc2OCC(F)F)c(Cl)c1 ZINC000441359199 946484867 /nfs/dbraw/zinc/48/48/67/946484867.db2.gz QPIHCYNVYVIYJL-UHFFFAOYSA-N 1 2 357.744 3.577 20 5 FHBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279852 946816568 /nfs/dbraw/zinc/81/65/68/946816568.db2.gz OQXSRJZHNBYDLE-KWQFWETISA-N 1 2 354.275 3.969 20 5 FHBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279852 946816582 /nfs/dbraw/zinc/81/65/82/946816582.db2.gz OQXSRJZHNBYDLE-KWQFWETISA-N 1 2 354.275 3.969 20 5 FHBDLO CCOc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025916296 946843315 /nfs/dbraw/zinc/84/33/15/946843315.db2.gz QYLCQSDIBUJAQF-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO CCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000025916296 946843325 /nfs/dbraw/zinc/84/33/25/946843325.db2.gz QYLCQSDIBUJAQF-UHFFFAOYSA-N 1 2 368.393 3.676 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000444699742 947124841 /nfs/dbraw/zinc/12/48/41/947124841.db2.gz FPTYGRIRLSTOLH-LBPRGKRZSA-N 1 2 363.364 3.640 20 5 FHBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000444699742 947124846 /nfs/dbraw/zinc/12/48/46/947124846.db2.gz FPTYGRIRLSTOLH-LBPRGKRZSA-N 1 2 363.364 3.640 20 5 FHBDLO Cc1ccccc1[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000441454440 947537159 /nfs/dbraw/zinc/53/71/59/947537159.db2.gz SSARTGNJSQMQOW-OXJNMPFZSA-N 1 2 356.422 3.744 20 5 FHBDLO Cc1ccccc1[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000441454440 947537171 /nfs/dbraw/zinc/53/71/71/947537171.db2.gz SSARTGNJSQMQOW-OXJNMPFZSA-N 1 2 356.422 3.744 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248792396 947672926 /nfs/dbraw/zinc/67/29/26/947672926.db2.gz NZWIVKWZLAYMAS-BXUZGUMPSA-N 1 2 373.375 3.832 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248792396 947672933 /nfs/dbraw/zinc/67/29/33/947672933.db2.gz NZWIVKWZLAYMAS-BXUZGUMPSA-N 1 2 373.375 3.832 20 5 FHBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500440477 947879038 /nfs/dbraw/zinc/87/90/38/947879038.db2.gz KQLQBHOQJHJJAA-ZIAGYGMSSA-N 1 2 373.478 3.700 20 5 FHBDLO Cc1sc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000500440477 947879043 /nfs/dbraw/zinc/87/90/43/947879043.db2.gz KQLQBHOQJHJJAA-ZIAGYGMSSA-N 1 2 373.478 3.700 20 5 FHBDLO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000279183995 948593726 /nfs/dbraw/zinc/59/37/26/948593726.db2.gz SGXYRBJUWOIXOD-JTQLQIEISA-N 1 2 367.247 3.558 20 5 FHBDLO CCN(CC)C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000003489548 210077402 /nfs/dbraw/zinc/07/74/02/210077402.db2.gz BOAPIQFIHFCIEG-UHFFFAOYSA-N 1 2 364.474 3.996 20 5 FHBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052070776 211905377 /nfs/dbraw/zinc/90/53/77/211905377.db2.gz QLRRFWMQYGKXJX-LLVKDONJSA-N 1 2 356.407 3.826 20 5 FHBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052070776 211905383 /nfs/dbraw/zinc/90/53/83/211905383.db2.gz QLRRFWMQYGKXJX-LLVKDONJSA-N 1 2 356.407 3.826 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(CSc3[nH+]cc4ccccn43)o2)cc1 ZINC000022616168 211357112 /nfs/dbraw/zinc/35/71/12/211357112.db2.gz HWJBHWFXGGATSN-UHFFFAOYSA-N 1 2 353.363 3.585 20 5 FHBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000014861205 211102929 /nfs/dbraw/zinc/10/29/29/211102929.db2.gz JDDZAFLFYHLLPC-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO Cc1cc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)[nH+]1 ZINC000097040245 132305330 /nfs/dbraw/zinc/30/53/30/132305330.db2.gz BPIXVOJVLWSYRA-UHFFFAOYSA-N 1 2 368.437 3.770 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000108576675 222423967 /nfs/dbraw/zinc/42/39/67/222423967.db2.gz PJKXCUUPEDFKRR-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057467304 568397624 /nfs/dbraw/zinc/39/76/24/568397624.db2.gz YJVWXWVMARGZTJ-CQSZACIVSA-N 1 2 350.378 3.614 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)s1 ZINC000570126400 568453027 /nfs/dbraw/zinc/45/30/27/568453027.db2.gz CZJZUCAAKKCPQT-UHFFFAOYSA-N 1 2 353.363 3.618 20 5 FHBDLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196017 599268733 /nfs/dbraw/zinc/26/87/33/599268733.db2.gz IVUYVXMXJGRACE-LLVKDONJSA-N 1 2 372.816 3.621 20 5 FHBDLO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000736196017 599268735 /nfs/dbraw/zinc/26/87/35/599268735.db2.gz IVUYVXMXJGRACE-LLVKDONJSA-N 1 2 372.816 3.621 20 5 FHBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000580089167 930231779 /nfs/dbraw/zinc/23/17/79/930231779.db2.gz MSAAVZUMCZDFMY-UHFFFAOYSA-N 1 2 353.382 3.685 20 5 FHBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000023820488 931420101 /nfs/dbraw/zinc/42/01/01/931420101.db2.gz XPCGNHLSUIXTGN-UHFFFAOYSA-N 1 2 368.220 3.972 20 5 FHBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000023820488 931420109 /nfs/dbraw/zinc/42/01/09/931420109.db2.gz XPCGNHLSUIXTGN-UHFFFAOYSA-N 1 2 368.220 3.972 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084137575 932153166 /nfs/dbraw/zinc/15/31/66/932153166.db2.gz XIJJNQOAENOAMP-UHFFFAOYSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084137575 932153168 /nfs/dbraw/zinc/15/31/68/932153168.db2.gz XIJJNQOAENOAMP-UHFFFAOYSA-N 1 2 359.348 3.506 20 5 FHBDLO O=[N+]([O-])c1sc(C[NH2+][C@H]2COCc3ccccc32)cc1Br ZINC000602693625 932237727 /nfs/dbraw/zinc/23/77/27/932237727.db2.gz DBACYHROMRWGFD-ZDUSSCGKSA-N 1 2 369.240 3.780 20 5 FHBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000510435944 932315869 /nfs/dbraw/zinc/31/58/69/932315869.db2.gz NMZRKKGXFJHOLA-SFHVURJKSA-N 1 2 352.394 3.817 20 5 FHBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000510435944 932315876 /nfs/dbraw/zinc/31/58/76/932315876.db2.gz NMZRKKGXFJHOLA-SFHVURJKSA-N 1 2 352.394 3.817 20 5 FHBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793852 934386955 /nfs/dbraw/zinc/38/69/55/934386955.db2.gz XKAQGGQKQBSIBD-KBPBESRZSA-N 1 2 371.412 3.705 20 5 FHBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000535793852 934386968 /nfs/dbraw/zinc/38/69/68/934386968.db2.gz XKAQGGQKQBSIBD-KBPBESRZSA-N 1 2 371.412 3.705 20 5 FHBDLO Cc1cnc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277294408 934893794 /nfs/dbraw/zinc/89/37/94/934893794.db2.gz BYDYNFKGVIBBLW-ZDUSSCGKSA-N 1 2 374.466 3.566 20 5 FHBDLO O=[N+]([O-])c1ccc([C@H](NCc2cn3c([nH+]2)CCCC3)C(F)(F)F)cc1 ZINC000563263673 935329186 /nfs/dbraw/zinc/32/91/86/935329186.db2.gz IUVNYFMCKYILBQ-HNNXBMFYSA-N 1 2 354.332 3.521 20 5 FHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC000473577615 945099225 /nfs/dbraw/zinc/09/92/25/945099225.db2.gz OKKDRMSOWGJHIH-UHFFFAOYSA-N 1 2 361.361 3.538 20 5 FHBDLO CCC(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000479390452 935834763 /nfs/dbraw/zinc/83/47/63/935834763.db2.gz GMKSRWULOBJZNP-UHFFFAOYSA-N 1 2 359.451 3.719 20 5 FHBDLO CCC(=O)c1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000479390452 935834766 /nfs/dbraw/zinc/83/47/66/935834766.db2.gz GMKSRWULOBJZNP-UHFFFAOYSA-N 1 2 359.451 3.719 20 5 FHBDLO CC[C@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000582596353 935859898 /nfs/dbraw/zinc/85/98/98/935859898.db2.gz IJWUUYBOGORHCE-YGRLFVJLSA-N 1 2 365.231 3.949 20 5 FHBDLO Cc1cn2cc(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC001125613482 935915086 /nfs/dbraw/zinc/91/50/86/935915086.db2.gz JFJYJXRZGDHELE-UHFFFAOYSA-N 1 2 358.785 3.776 20 5 FHBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000584320067 938685248 /nfs/dbraw/zinc/68/52/48/938685248.db2.gz AHFQBPXKWZNTRI-SECBINFHSA-N 1 2 366.311 3.682 20 5 FHBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000584320067 938685249 /nfs/dbraw/zinc/68/52/49/938685249.db2.gz AHFQBPXKWZNTRI-SECBINFHSA-N 1 2 366.311 3.682 20 5 FHBDLO CSCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001125766464 939003260 /nfs/dbraw/zinc/00/32/60/939003260.db2.gz QAAZXSSFCUWOIE-UHFFFAOYSA-N 1 2 368.418 3.896 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC=Cc2ccccc21 ZINC000188245791 939093018 /nfs/dbraw/zinc/09/30/18/939093018.db2.gz XCUZVHFZRAHPSU-UHFFFAOYSA-N 1 2 360.373 3.844 20 5 FHBDLO CCC1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000066026564 940205189 /nfs/dbraw/zinc/20/51/89/940205189.db2.gz ZWVZPTNDPKXTOO-UHFFFAOYSA-N 1 2 356.426 3.727 20 5 FHBDLO CCOc1ccccc1C[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000180039306 940306320 /nfs/dbraw/zinc/30/63/20/940306320.db2.gz QIBCKHKDDBELLY-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO CCOc1ccccc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000180039306 940306324 /nfs/dbraw/zinc/30/63/24/940306324.db2.gz QIBCKHKDDBELLY-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO COc1cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000613384164 940659132 /nfs/dbraw/zinc/65/91/32/940659132.db2.gz UBYPWUPKTHKSHP-KOLCDFICSA-N 1 2 350.312 3.905 20 5 FHBDLO COc1cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000613384164 940659133 /nfs/dbraw/zinc/65/91/33/940659133.db2.gz UBYPWUPKTHKSHP-KOLCDFICSA-N 1 2 350.312 3.905 20 5 FHBDLO COc1cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000613384165 940659197 /nfs/dbraw/zinc/65/91/97/940659197.db2.gz UBYPWUPKTHKSHP-MWLCHTKSSA-N 1 2 350.312 3.905 20 5 FHBDLO COc1cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000613384165 940659199 /nfs/dbraw/zinc/65/91/99/940659199.db2.gz UBYPWUPKTHKSHP-MWLCHTKSSA-N 1 2 350.312 3.905 20 5 FHBDLO CC1(C)C[C@H]([NH2+]Cc2nccc(C(F)(F)F)n2)c2cc([N+](=O)[O-])ccc21 ZINC000414237805 940818204 /nfs/dbraw/zinc/81/82/04/940818204.db2.gz JSRBFEIZTHCACJ-ZDUSSCGKSA-N 1 2 366.343 3.916 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCC2 ZINC000414266676 940864615 /nfs/dbraw/zinc/86/46/15/940864615.db2.gz VZNIKKISKPUUOS-ZDUSSCGKSA-N 1 2 352.316 3.571 20 5 FHBDLO C[C@H]1c2ccccc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170957611 940935788 /nfs/dbraw/zinc/93/57/88/940935788.db2.gz UMFQYWUWOMEPPD-AWEZNQCLSA-N 1 2 362.389 3.540 20 5 FHBDLO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000128324868 941600896 /nfs/dbraw/zinc/60/08/96/941600896.db2.gz TWMKMXPNKYBANI-UHFFFAOYSA-N 1 2 371.437 3.545 20 5 FHBDLO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413212426 942487146 /nfs/dbraw/zinc/48/71/46/942487146.db2.gz YSKZOARHPCJHPV-CABCVRRESA-N 1 2 368.771 3.779 20 5 FHBDLO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000413212426 942487153 /nfs/dbraw/zinc/48/71/53/942487153.db2.gz YSKZOARHPCJHPV-CABCVRRESA-N 1 2 368.771 3.779 20 5 FHBDLO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000549410200 942506644 /nfs/dbraw/zinc/50/66/44/942506644.db2.gz RWIWTGYPIQYURH-ZDUSSCGKSA-N 1 2 356.348 3.596 20 5 FHBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072603818 942518155 /nfs/dbraw/zinc/51/81/55/942518155.db2.gz NQDNXOHUCKFVBU-SFHVURJKSA-N 1 2 369.421 3.687 20 5 FHBDLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072603818 942518159 /nfs/dbraw/zinc/51/81/59/942518159.db2.gz NQDNXOHUCKFVBU-SFHVURJKSA-N 1 2 369.421 3.687 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000421499287 942611617 /nfs/dbraw/zinc/61/16/17/942611617.db2.gz ASEJARFUXQVRSW-OAHLLOKOSA-N 1 2 373.478 3.792 20 5 FHBDLO CC[N@H+](Cc1ccncc1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000502731017 942700117 /nfs/dbraw/zinc/70/01/17/942700117.db2.gz PXGGGIVVXPMJIB-ZDUSSCGKSA-N 1 2 353.382 3.623 20 5 FHBDLO CC[N@@H+](Cc1ccncc1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000502731017 942700120 /nfs/dbraw/zinc/70/01/20/942700120.db2.gz PXGGGIVVXPMJIB-ZDUSSCGKSA-N 1 2 353.382 3.623 20 5 FHBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000502764894 942725455 /nfs/dbraw/zinc/72/54/55/942725455.db2.gz CGLBWFCAYDPOJM-UHFFFAOYSA-N 1 2 361.361 3.578 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190160072 942833352 /nfs/dbraw/zinc/83/33/52/942833352.db2.gz LFHXAGHJTYGLFB-CQSZACIVSA-N 1 2 373.375 3.752 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190160072 942833358 /nfs/dbraw/zinc/83/33/58/942833358.db2.gz LFHXAGHJTYGLFB-CQSZACIVSA-N 1 2 373.375 3.752 20 5 FHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000504835993 943823909 /nfs/dbraw/zinc/82/39/09/943823909.db2.gz XDRHPLOHBOLNQM-AWEZNQCLSA-N 1 2 371.462 3.554 20 5 FHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000504835993 943823912 /nfs/dbraw/zinc/82/39/12/943823912.db2.gz XDRHPLOHBOLNQM-AWEZNQCLSA-N 1 2 371.462 3.554 20 5 FHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000504835996 943824318 /nfs/dbraw/zinc/82/43/18/943824318.db2.gz XDRHPLOHBOLNQM-CQSZACIVSA-N 1 2 371.462 3.554 20 5 FHBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000504835996 943824325 /nfs/dbraw/zinc/82/43/25/943824325.db2.gz XDRHPLOHBOLNQM-CQSZACIVSA-N 1 2 371.462 3.554 20 5 FHBDLO CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000505067445 944026924 /nfs/dbraw/zinc/02/69/24/944026924.db2.gz CBBLBNGMMDRQNM-HOCLYGCPSA-N 1 2 356.426 3.725 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552923 944320081 /nfs/dbraw/zinc/32/00/81/944320081.db2.gz RPFIKNCSACMWNH-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552923 944320087 /nfs/dbraw/zinc/32/00/87/944320087.db2.gz RPFIKNCSACMWNH-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000506217296 944555617 /nfs/dbraw/zinc/55/56/17/944555617.db2.gz UCHRTGFPZHLMCS-ZDUSSCGKSA-N 1 2 374.466 3.840 20 5 FHBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000506864061 944679394 /nfs/dbraw/zinc/67/93/94/944679394.db2.gz ZADGZKRWXQMMPD-UHFFFAOYSA-N 1 2 365.374 3.618 20 5 FHBDLO C[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000275671819 944744362 /nfs/dbraw/zinc/74/43/62/944744362.db2.gz HHYOACDLTTUROR-RYUDHWBXSA-N 1 2 357.439 3.864 20 5 FHBDLO COc1cc(OC)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000507168707 945018503 /nfs/dbraw/zinc/01/85/03/945018503.db2.gz FSEWCYDGBNRELJ-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO COc1cc(OC)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(OC)c1 ZINC000507168707 945018511 /nfs/dbraw/zinc/01/85/11/945018511.db2.gz FSEWCYDGBNRELJ-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506357281 945025627 /nfs/dbraw/zinc/02/56/27/945025627.db2.gz PXJRGYKRIRAVGG-CQSZACIVSA-N 1 2 369.421 3.927 20 5 FHBDLO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506357281 945025635 /nfs/dbraw/zinc/02/56/35/945025635.db2.gz PXJRGYKRIRAVGG-CQSZACIVSA-N 1 2 369.421 3.927 20 5 FHBDLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000280894609 945453356 /nfs/dbraw/zinc/45/33/56/945453356.db2.gz FHIIFXDUZSKBGO-RISCZKNCSA-N 1 2 370.327 3.878 20 5 FHBDLO O=[N+]([O-])c1ccc([C@H](NCCCNc2cccc[nH+]2)C(F)(F)F)cc1 ZINC000519831654 945793407 /nfs/dbraw/zinc/79/34/07/945793407.db2.gz WSILVPRNXXCSRV-HNNXBMFYSA-N 1 2 354.332 3.685 20 5 FHBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000066882108 946104662 /nfs/dbraw/zinc/10/46/62/946104662.db2.gz QWUROXQSBKPFDX-IBGZPJMESA-N 1 2 366.396 3.788 20 5 FHBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000066882108 946104671 /nfs/dbraw/zinc/10/46/71/946104671.db2.gz QWUROXQSBKPFDX-IBGZPJMESA-N 1 2 366.396 3.788 20 5 FHBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)c1 ZINC000609873424 946179285 /nfs/dbraw/zinc/17/92/85/946179285.db2.gz OREYYVXBYQTLMD-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000186463079 946302729 /nfs/dbraw/zinc/30/27/29/946302729.db2.gz QYJLGPMCLJKWQO-GFCCVEGCSA-N 1 2 371.828 3.895 20 5 FHBDLO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C)cc1C ZINC000618276734 946515499 /nfs/dbraw/zinc/51/54/99/946515499.db2.gz IWWWDQTXQCEAOY-UHFFFAOYSA-N 1 2 368.437 3.737 20 5 FHBDLO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C)cc1C ZINC000618276734 946515507 /nfs/dbraw/zinc/51/55/07/946515507.db2.gz IWWWDQTXQCEAOY-UHFFFAOYSA-N 1 2 368.437 3.737 20 5 FHBDLO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H](CCO)c2ccco2)c2ccccc2)c1 ZINC000186555405 946550540 /nfs/dbraw/zinc/55/05/40/946550540.db2.gz WLBFKOJPMWUXPS-AZUAARDMSA-N 1 2 352.390 3.991 20 5 FHBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000475365737 946950939 /nfs/dbraw/zinc/95/09/39/946950939.db2.gz SBENSOPKSRHCDM-LLVKDONJSA-N 1 2 356.348 3.930 20 5 FHBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000475365737 946950948 /nfs/dbraw/zinc/95/09/48/946950948.db2.gz SBENSOPKSRHCDM-LLVKDONJSA-N 1 2 356.348 3.930 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428372266 947063835 /nfs/dbraw/zinc/06/38/35/947063835.db2.gz KYQDKVBSFWPTOT-OAHLLOKOSA-N 1 2 356.369 3.587 20 5 FHBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428372266 947063844 /nfs/dbraw/zinc/06/38/44/947063844.db2.gz KYQDKVBSFWPTOT-OAHLLOKOSA-N 1 2 356.369 3.587 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](Oc4cccc(Cl)c4)C3)nc2c1 ZINC000444658000 947075533 /nfs/dbraw/zinc/07/55/33/947075533.db2.gz AJIHFGMICMFSQG-OAHLLOKOSA-N 1 2 372.812 3.778 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](Oc4cccc(Cl)c4)C3)nc2c1 ZINC000444658000 947075541 /nfs/dbraw/zinc/07/55/41/947075541.db2.gz AJIHFGMICMFSQG-OAHLLOKOSA-N 1 2 372.812 3.778 20 5 FHBDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049974193 947179789 /nfs/dbraw/zinc/17/97/89/947179789.db2.gz IADOAGCYFBJMHG-AUUYWEPGSA-N 1 2 365.389 3.894 20 5 FHBDLO O=C(NCc1ccc(C(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000184540908 947494574 /nfs/dbraw/zinc/49/45/74/947494574.db2.gz KCDZEFLOZUIULS-UHFFFAOYSA-N 1 2 372.331 3.648 20 5 FHBDLO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ncnn1C ZINC000473988384 947882163 /nfs/dbraw/zinc/88/21/63/947882163.db2.gz UBLJYEBTMJIEQU-GFCCVEGCSA-N 1 2 371.372 3.506 20 5 FHBDLO CC[C@H]1CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C1 ZINC000162926106 947882164 /nfs/dbraw/zinc/88/21/64/947882164.db2.gz RNYPNLNOWOAUMI-ZDUSSCGKSA-N 1 2 361.471 3.699 20 5 FHBDLO CC[C@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C1 ZINC000162926106 947882170 /nfs/dbraw/zinc/88/21/70/947882170.db2.gz RNYPNLNOWOAUMI-ZDUSSCGKSA-N 1 2 361.471 3.699 20 5 FHBDLO O=[N+]([O-])c1cccc2c(NCc3ccc(Cn4cc[nH+]c4)cc3)ccnc21 ZINC000432337722 948151581 /nfs/dbraw/zinc/15/15/81/948151581.db2.gz UNJKDSIMXBSPKS-UHFFFAOYSA-N 1 2 359.389 4.000 20 5 FHBDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004849 948416328 /nfs/dbraw/zinc/41/63/28/948416328.db2.gz KPQPTYCMYOONCE-FZKQIMNGSA-N 1 2 351.410 3.735 20 5 FHBDLO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000162530354 568028238 /nfs/dbraw/zinc/02/82/38/568028238.db2.gz FRZNWSNIXJSMQH-UGSOOPFHSA-N 1 2 351.410 3.770 20 5 FHBDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000051589663 568090098 /nfs/dbraw/zinc/09/00/98/568090098.db2.gz HLKPGLRJLSJECG-UHFFFAOYSA-N 1 2 371.437 3.599 20 5 FHBDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000051589663 568090099 /nfs/dbraw/zinc/09/00/99/568090099.db2.gz HLKPGLRJLSJECG-UHFFFAOYSA-N 1 2 371.437 3.599 20 5 FHBDLO CCc1nn(C)c(N[C@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000569217568 568313328 /nfs/dbraw/zinc/31/33/28/568313328.db2.gz QULOYSIBPLWFMB-STQMWFEESA-N 1 2 368.441 3.905 20 5 FHBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569392271 568400324 /nfs/dbraw/zinc/40/03/24/568400324.db2.gz BYKQNTYMOBHLMU-GFCCVEGCSA-N 1 2 368.368 3.903 20 5 FHBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000569392271 568400325 /nfs/dbraw/zinc/40/03/25/568400325.db2.gz BYKQNTYMOBHLMU-GFCCVEGCSA-N 1 2 368.368 3.903 20 5 FHBDLO O=C(Nc1cccc(F)c1Cl)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000570482385 568487722 /nfs/dbraw/zinc/48/77/22/568487722.db2.gz NUNXVFBXAGRMMH-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000509330313 928368542 /nfs/dbraw/zinc/36/85/42/928368542.db2.gz FXKNIAYLCHQRKO-UHFFFAOYSA-N 1 2 365.389 3.925 20 5 FHBDLO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000509330313 928368556 /nfs/dbraw/zinc/36/85/56/928368556.db2.gz FXKNIAYLCHQRKO-UHFFFAOYSA-N 1 2 365.389 3.925 20 5 FHBDLO COc1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1[N+](=O)[O-] ZINC000581037504 931510674 /nfs/dbraw/zinc/51/06/74/931510674.db2.gz LMDASWKYJXAIDF-UHFFFAOYSA-N 1 2 363.333 3.506 20 5 FHBDLO CC(C)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610623819 933544974 /nfs/dbraw/zinc/54/49/74/933544974.db2.gz QYCBKQUFBJCMJJ-UHFFFAOYSA-N 1 2 364.405 3.505 20 5 FHBDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc([N+](=O)[O-])c1C ZINC000051347664 933635347 /nfs/dbraw/zinc/63/53/47/933635347.db2.gz DVBSBJNAPHNALI-UHFFFAOYSA-N 1 2 363.364 3.642 20 5 FHBDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc([N+](=O)[O-])c1C ZINC000051347664 933635353 /nfs/dbraw/zinc/63/53/53/933635353.db2.gz DVBSBJNAPHNALI-UHFFFAOYSA-N 1 2 363.364 3.642 20 5 FHBDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000588469941 934347809 /nfs/dbraw/zinc/34/78/09/934347809.db2.gz ZWXWFDWSYHPORY-IJVDHGTGSA-N 1 2 371.462 3.575 20 5 FHBDLO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ncc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000437979457 945102170 /nfs/dbraw/zinc/10/21/70/945102170.db2.gz YBMUWPJQMQHZPE-MRXNPFEDSA-N 1 2 368.393 3.924 20 5 FHBDLO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3c3ncc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000437979457 945102176 /nfs/dbraw/zinc/10/21/76/945102176.db2.gz YBMUWPJQMQHZPE-MRXNPFEDSA-N 1 2 368.393 3.924 20 5 FHBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263945179 935503252 /nfs/dbraw/zinc/50/32/52/935503252.db2.gz LASAFZLDTWBXPR-LLVKDONJSA-N 1 2 356.407 3.552 20 5 FHBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@](=O)C1 ZINC000277578175 935633939 /nfs/dbraw/zinc/63/39/39/935633939.db2.gz TVRZYRSUDFKFLR-RKNYENMMSA-N 1 2 364.492 3.524 20 5 FHBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[S@@](=O)C1 ZINC000277578175 935633942 /nfs/dbraw/zinc/63/39/42/935633942.db2.gz TVRZYRSUDFKFLR-RKNYENMMSA-N 1 2 364.492 3.524 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](OC(F)F)C3)cs2)c1 ZINC000611608106 935730404 /nfs/dbraw/zinc/73/04/04/935730404.db2.gz FKPSFDPGQNDTSB-AWEZNQCLSA-N 1 2 369.393 3.922 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](OC(F)F)C3)cs2)c1 ZINC000611608106 935730409 /nfs/dbraw/zinc/73/04/09/935730409.db2.gz FKPSFDPGQNDTSB-AWEZNQCLSA-N 1 2 369.393 3.922 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000051709617 935770816 /nfs/dbraw/zinc/77/08/16/935770816.db2.gz PCMXAFWYIYENQC-UHFFFAOYSA-N 1 2 370.327 3.976 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])cc1OC(F)F ZINC000051709617 935770817 /nfs/dbraw/zinc/77/08/17/935770817.db2.gz PCMXAFWYIYENQC-UHFFFAOYSA-N 1 2 370.327 3.976 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccc(F)cc2F)n1 ZINC000511138197 935774031 /nfs/dbraw/zinc/77/40/31/935774031.db2.gz DYILDVOGSXFFKN-UHFFFAOYSA-N 1 2 374.347 3.598 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccc(F)cc2F)n1 ZINC000511138197 935774032 /nfs/dbraw/zinc/77/40/32/935774032.db2.gz DYILDVOGSXFFKN-UHFFFAOYSA-N 1 2 374.347 3.598 20 5 FHBDLO O=[N+]([O-])c1c(NCc2cccc(Cn3cc[nH+]c3)c2)ccc2ncccc21 ZINC000051856328 935971379 /nfs/dbraw/zinc/97/13/79/935971379.db2.gz ICJNHYDZSMMQKS-UHFFFAOYSA-N 1 2 359.389 4.000 20 5 FHBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000611772973 936043420 /nfs/dbraw/zinc/04/34/20/936043420.db2.gz BUBWXKPDPDZCHL-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000611772973 936043424 /nfs/dbraw/zinc/04/34/24/936043424.db2.gz BUBWXKPDPDZCHL-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)C3CC3)o2)cc1 ZINC000163323678 938339595 /nfs/dbraw/zinc/33/95/95/938339595.db2.gz MMYKTSCRLDYAEC-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)o2)cc1 ZINC000163323678 938339598 /nfs/dbraw/zinc/33/95/98/938339598.db2.gz MMYKTSCRLDYAEC-UHFFFAOYSA-N 1 2 368.368 3.949 20 5 FHBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000080948620 938708927 /nfs/dbraw/zinc/70/89/27/938708927.db2.gz UDPPMJBROPWGBL-UHFFFAOYSA-N 1 2 352.394 3.598 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000093905794 938931940 /nfs/dbraw/zinc/93/19/40/938931940.db2.gz GJLMWCPGECDVJT-UHFFFAOYSA-N 1 2 373.478 3.540 20 5 FHBDLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)[nH+]c1C ZINC000365099647 940056986 /nfs/dbraw/zinc/05/69/86/940056986.db2.gz BNEVBBJWLVTXDY-UHFFFAOYSA-N 1 2 350.378 3.783 20 5 FHBDLO CC[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000582596350 940751722 /nfs/dbraw/zinc/75/17/22/940751722.db2.gz IJWUUYBOGORHCE-HZMBPMFUSA-N 1 2 365.231 3.949 20 5 FHBDLO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1cccc(Cl)c1 ZINC000180417571 941004557 /nfs/dbraw/zinc/00/45/57/941004557.db2.gz PKQJMQDHPANWNP-GFCCVEGCSA-N 1 2 371.828 3.988 20 5 FHBDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000513266162 941817291 /nfs/dbraw/zinc/81/72/91/941817291.db2.gz JEFIQMOTTSPRDR-UHFFFAOYSA-N 1 2 367.877 3.861 20 5 FHBDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000513266162 941817295 /nfs/dbraw/zinc/81/72/95/941817295.db2.gz JEFIQMOTTSPRDR-UHFFFAOYSA-N 1 2 367.877 3.861 20 5 FHBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000128374376 942168592 /nfs/dbraw/zinc/16/85/92/942168592.db2.gz BETFUWLIHVMRNQ-QGZVFWFLSA-N 1 2 374.462 3.902 20 5 FHBDLO COc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000128374376 942168595 /nfs/dbraw/zinc/16/85/95/942168595.db2.gz BETFUWLIHVMRNQ-QGZVFWFLSA-N 1 2 374.462 3.902 20 5 FHBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074940 942251018 /nfs/dbraw/zinc/25/10/18/942251018.db2.gz JYNGGOYEKFXENV-UHFFFAOYSA-N 1 2 356.407 3.552 20 5 FHBDLO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074940 942251021 /nfs/dbraw/zinc/25/10/21/942251021.db2.gz JYNGGOYEKFXENV-UHFFFAOYSA-N 1 2 356.407 3.552 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420938446 942264707 /nfs/dbraw/zinc/26/47/07/942264707.db2.gz AUQMKTKCVNEDAF-GFCCVEGCSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420938446 942264710 /nfs/dbraw/zinc/26/47/10/942264710.db2.gz AUQMKTKCVNEDAF-GFCCVEGCSA-N 1 2 359.348 3.506 20 5 FHBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)CCC2 ZINC000413212383 942487542 /nfs/dbraw/zinc/48/75/42/942487542.db2.gz YIADDQQNGGKLLW-JTQLQIEISA-N 1 2 355.320 3.503 20 5 FHBDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000016418739 942582563 /nfs/dbraw/zinc/58/25/63/942582563.db2.gz SEJRQICYKFHLKB-UHFFFAOYSA-N 1 2 356.422 3.951 20 5 FHBDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000016418739 942582566 /nfs/dbraw/zinc/58/25/66/942582566.db2.gz SEJRQICYKFHLKB-UHFFFAOYSA-N 1 2 356.422 3.951 20 5 FHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000503074784 942957903 /nfs/dbraw/zinc/95/79/03/942957903.db2.gz RWQYCLMDSBCEBZ-UHFFFAOYSA-N 1 2 363.421 3.555 20 5 FHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000503074784 942957907 /nfs/dbraw/zinc/95/79/07/942957907.db2.gz RWQYCLMDSBCEBZ-UHFFFAOYSA-N 1 2 363.421 3.555 20 5 FHBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503082081 942965587 /nfs/dbraw/zinc/96/55/87/942965587.db2.gz FAYRLDSDXYCATN-HNNXBMFYSA-N 1 2 371.437 3.930 20 5 FHBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503082081 942965591 /nfs/dbraw/zinc/96/55/91/942965591.db2.gz FAYRLDSDXYCATN-HNNXBMFYSA-N 1 2 371.437 3.930 20 5 FHBDLO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000505552393 943017707 /nfs/dbraw/zinc/01/77/07/943017707.db2.gz ZEGUZJJNPXOSAM-SFHVURJKSA-N 1 2 371.412 3.644 20 5 FHBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000435044850 943117305 /nfs/dbraw/zinc/11/73/05/943117305.db2.gz WBXXGXSGDKWTPI-OALUTQOASA-N 1 2 354.406 3.782 20 5 FHBDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000435044850 943117308 /nfs/dbraw/zinc/11/73/08/943117308.db2.gz WBXXGXSGDKWTPI-OALUTQOASA-N 1 2 354.406 3.782 20 5 FHBDLO C[C@@](O)(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)C(F)(F)F ZINC000545932318 943322088 /nfs/dbraw/zinc/32/20/88/943322088.db2.gz WPIXVMQATCGYHJ-CQSZACIVSA-N 1 2 366.767 3.774 20 5 FHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000473555008 943424586 /nfs/dbraw/zinc/42/45/86/943424586.db2.gz RLAZCJSYKZJZJP-HUUCEWRRSA-N 1 2 364.405 3.703 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000504554676 943677265 /nfs/dbraw/zinc/67/72/65/943677265.db2.gz MJUBLUDAEMOALY-INIZCTEOSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000504554676 943677268 /nfs/dbraw/zinc/67/72/68/943677268.db2.gz MJUBLUDAEMOALY-INIZCTEOSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504575916 943689543 /nfs/dbraw/zinc/68/95/43/943689543.db2.gz TVUNOQXXTIXMJM-INIZCTEOSA-N 1 2 355.438 3.555 20 5 FHBDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504575916 943689547 /nfs/dbraw/zinc/68/95/47/943689547.db2.gz TVUNOQXXTIXMJM-INIZCTEOSA-N 1 2 355.438 3.555 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc(C(F)(F)F)cc[nH+]3)c2c1 ZINC000584491278 943892913 /nfs/dbraw/zinc/89/29/13/943892913.db2.gz DMHNTYLYQDTMLZ-UHFFFAOYSA-N 1 2 350.300 3.566 20 5 FHBDLO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1[N+](=O)[O-] ZINC000515539269 943972993 /nfs/dbraw/zinc/97/29/93/943972993.db2.gz PMJNFZJTRVSVAP-UHFFFAOYSA-N 1 2 355.438 3.542 20 5 FHBDLO CC(C)c1ccc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000519030195 945044403 /nfs/dbraw/zinc/04/44/03/945044403.db2.gz BTGOOPOKKJYUCX-MRXNPFEDSA-N 1 2 360.414 3.550 20 5 FHBDLO CC(C)c1ccc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000519030195 945044413 /nfs/dbraw/zinc/04/44/13/945044413.db2.gz BTGOOPOKKJYUCX-MRXNPFEDSA-N 1 2 360.414 3.550 20 5 FHBDLO C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000164242170 945430082 /nfs/dbraw/zinc/43/00/82/945430082.db2.gz UNYKQLCDKGFEPF-INIZCTEOSA-N 1 2 350.422 3.885 20 5 FHBDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511876918 945503038 /nfs/dbraw/zinc/50/30/38/945503038.db2.gz XWTLMKUITDCPOA-OAHLLOKOSA-N 1 2 355.438 3.596 20 5 FHBDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511876918 945503040 /nfs/dbraw/zinc/50/30/40/945503040.db2.gz XWTLMKUITDCPOA-OAHLLOKOSA-N 1 2 355.438 3.596 20 5 FHBDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000107181146 945505862 /nfs/dbraw/zinc/50/58/62/945505862.db2.gz KLXKUGWGTWOTPD-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001126001861 945548629 /nfs/dbraw/zinc/54/86/29/945548629.db2.gz XCYBFMCXHNPEQN-GDBMZVCRSA-N 1 2 356.426 3.725 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000519739725 945704822 /nfs/dbraw/zinc/70/48/22/945704822.db2.gz AJTUEENXNWKGBB-GFCCVEGCSA-N 1 2 354.341 3.662 20 5 FHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000519749622 945715280 /nfs/dbraw/zinc/71/52/80/945715280.db2.gz XJLXQNVITAPNQQ-VQIMIIECSA-N 1 2 360.385 3.792 20 5 FHBDLO Cc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000729479572 945755834 /nfs/dbraw/zinc/75/58/34/945755834.db2.gz LMVCEUAWTUTPON-HNNXBMFYSA-N 1 2 353.422 3.597 20 5 FHBDLO Cc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000729479572 945755840 /nfs/dbraw/zinc/75/58/40/945755840.db2.gz LMVCEUAWTUTPON-HNNXBMFYSA-N 1 2 353.422 3.597 20 5 FHBDLO Cc1cc(Cl)nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000281938111 945953652 /nfs/dbraw/zinc/95/36/52/945953652.db2.gz HTCWSOURRIKEGS-UHFFFAOYSA-N 1 2 357.744 3.843 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000323781609 946257244 /nfs/dbraw/zinc/25/72/44/946257244.db2.gz DLJMMEWPJZTBEP-CYBMUJFWSA-N 1 2 352.740 3.528 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000323781609 946257260 /nfs/dbraw/zinc/25/72/60/946257260.db2.gz DLJMMEWPJZTBEP-CYBMUJFWSA-N 1 2 352.740 3.528 20 5 FHBDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000111312257 946437391 /nfs/dbraw/zinc/43/73/91/946437391.db2.gz HOVMWLUMEZITTC-MRXNPFEDSA-N 1 2 374.466 3.616 20 5 FHBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000111312257 946437395 /nfs/dbraw/zinc/43/73/95/946437395.db2.gz HOVMWLUMEZITTC-MRXNPFEDSA-N 1 2 374.466 3.616 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)n2)c1 ZINC000186225004 946627910 /nfs/dbraw/zinc/62/79/10/946627910.db2.gz QKFQIDXHHSFILW-UHFFFAOYSA-N 1 2 362.389 3.692 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3Cc4ccccc4C4(CC4)C3)n2)c1 ZINC000186225004 946627914 /nfs/dbraw/zinc/62/79/14/946627914.db2.gz QKFQIDXHHSFILW-UHFFFAOYSA-N 1 2 362.389 3.692 20 5 FHBDLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375067 946933387 /nfs/dbraw/zinc/93/33/87/946933387.db2.gz XXKPYWLGHCIONI-CQSZACIVSA-N 1 2 365.842 3.547 20 5 FHBDLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067375067 946933398 /nfs/dbraw/zinc/93/33/98/946933398.db2.gz XXKPYWLGHCIONI-CQSZACIVSA-N 1 2 365.842 3.547 20 5 FHBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000181834972 947374584 /nfs/dbraw/zinc/37/45/84/947374584.db2.gz VHLOMMBNVHCPDI-LBPRGKRZSA-N 1 2 356.357 3.943 20 5 FHBDLO CC[C@@H]1CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C1 ZINC000162925969 947882096 /nfs/dbraw/zinc/88/20/96/947882096.db2.gz RNYPNLNOWOAUMI-CYBMUJFWSA-N 1 2 361.471 3.699 20 5 FHBDLO CC[C@@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2=S)C1 ZINC000162925969 947882098 /nfs/dbraw/zinc/88/20/98/947882098.db2.gz RNYPNLNOWOAUMI-CYBMUJFWSA-N 1 2 361.471 3.699 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c2c(c1)COCO2 ZINC000016419052 220183747 /nfs/dbraw/zinc/18/37/47/220183747.db2.gz FSHMHYRDULXBSW-UHFFFAOYSA-N 1 2 358.369 3.765 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c2c(c1)COCO2 ZINC000016419052 220183750 /nfs/dbraw/zinc/18/37/50/220183750.db2.gz FSHMHYRDULXBSW-UHFFFAOYSA-N 1 2 358.369 3.765 20 5 FHBDLO CSc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049909601 221029019 /nfs/dbraw/zinc/02/90/19/221029019.db2.gz QYFFRYCIJOMLHU-UHFFFAOYSA-N 1 2 354.391 3.755 20 5 FHBDLO Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000291095010 568050619 /nfs/dbraw/zinc/05/06/19/568050619.db2.gz AXBAOGKECWAUQU-UHFFFAOYSA-N 1 2 374.466 3.541 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000481677040 568085602 /nfs/dbraw/zinc/08/56/02/568085602.db2.gz KBCAWMPJEIBJLA-AWEZNQCLSA-N 1 2 360.845 3.835 20 5 FHBDLO Cc1c(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000603836530 568159503 /nfs/dbraw/zinc/15/95/03/568159503.db2.gz AANNNDQZAIWXRO-UHFFFAOYSA-N 1 2 359.857 3.874 20 5 FHBDLO Cc1c(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000603836530 568159505 /nfs/dbraw/zinc/15/95/05/568159505.db2.gz AANNNDQZAIWXRO-UHFFFAOYSA-N 1 2 359.857 3.874 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000541952789 568273621 /nfs/dbraw/zinc/27/36/21/568273621.db2.gz UANVYMOOIMNJHI-KGLIPLIRSA-N 1 2 369.421 3.550 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2C ZINC000541952789 568273622 /nfs/dbraw/zinc/27/36/22/568273622.db2.gz UANVYMOOIMNJHI-KGLIPLIRSA-N 1 2 369.421 3.550 20 5 FHBDLO C[C@H](CCc1ccccc1[N+](=O)[O-])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000569411077 568401206 /nfs/dbraw/zinc/40/12/06/568401206.db2.gz UXDBPCGLOAPQDT-OAHLLOKOSA-N 1 2 351.410 3.668 20 5 FHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccccc1F ZINC000007358675 568501742 /nfs/dbraw/zinc/50/17/42/568501742.db2.gz QBNIAVYASSDWPI-GFCCVEGCSA-N 1 2 356.357 3.977 20 5 FHBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccccc1F ZINC000007358675 568501743 /nfs/dbraw/zinc/50/17/43/568501743.db2.gz QBNIAVYASSDWPI-GFCCVEGCSA-N 1 2 356.357 3.977 20 5 FHBDLO CCCC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110715625 945065418 /nfs/dbraw/zinc/06/54/18/945065418.db2.gz KRLNPCYKTICOMV-HOCLYGCPSA-N 1 2 356.426 3.869 20 5 FHBDLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000120129442 927345130 /nfs/dbraw/zinc/34/51/30/927345130.db2.gz ZMIAYIPKSAIOFJ-UHFFFAOYSA-N 1 2 358.398 3.554 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000120312841 928079113 /nfs/dbraw/zinc/07/91/13/928079113.db2.gz NAAZNILMMCQEBW-UHFFFAOYSA-N 1 2 365.393 3.719 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000430221813 928283498 /nfs/dbraw/zinc/28/34/98/928283498.db2.gz UGGZXFDERZBUBB-QRWLVFNGSA-N 1 2 356.422 3.874 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000430221813 928283511 /nfs/dbraw/zinc/28/35/11/928283511.db2.gz UGGZXFDERZBUBB-QRWLVFNGSA-N 1 2 356.422 3.874 20 5 FHBDLO O=C(Nc1cncc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001266293516 928332154 /nfs/dbraw/zinc/33/21/54/928332154.db2.gz AZSQRSLLCUOQQL-UHFFFAOYSA-N 1 2 359.345 3.581 20 5 FHBDLO Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000121053337 929668033 /nfs/dbraw/zinc/66/80/33/929668033.db2.gz LNLMXKNEOSPMJK-LBPRGKRZSA-N 1 2 363.801 3.974 20 5 FHBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cc1F ZINC000187317358 929908789 /nfs/dbraw/zinc/90/87/89/929908789.db2.gz MNTGQXAWUNJDAN-SECBINFHSA-N 1 2 354.179 3.742 20 5 FHBDLO CCS[C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000176699077 937379641 /nfs/dbraw/zinc/37/96/41/937379641.db2.gz ATZZKTPIOCEPCI-GJZGRUSLSA-N 1 2 374.466 3.575 20 5 FHBDLO CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000176699108 937379853 /nfs/dbraw/zinc/37/98/53/937379853.db2.gz ATZZKTPIOCEPCI-CABCVRRESA-N 1 2 374.466 3.575 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)cn1 ZINC000579507838 930421202 /nfs/dbraw/zinc/42/12/02/930421202.db2.gz LCUOGDJJNKQSJM-UHFFFAOYSA-N 1 2 369.812 3.518 20 5 FHBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889781 932690066 /nfs/dbraw/zinc/69/00/66/932690066.db2.gz RFJGRUZSFGONLC-ZDUSSCGKSA-N 1 2 368.418 3.900 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000023889428 932690299 /nfs/dbraw/zinc/69/02/99/932690299.db2.gz ZCUWOOXCQUYPKG-UHFFFAOYSA-N 1 2 363.377 3.607 20 5 FHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1cc(F)ccc1F ZINC000051286904 932958346 /nfs/dbraw/zinc/95/83/46/932958346.db2.gz GUEKWRBHRJCROV-INIZCTEOSA-N 1 2 356.756 3.692 20 5 FHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1cc(F)ccc1F ZINC000051286904 932958348 /nfs/dbraw/zinc/95/83/48/932958348.db2.gz GUEKWRBHRJCROV-INIZCTEOSA-N 1 2 356.756 3.692 20 5 FHBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000540536684 935490562 /nfs/dbraw/zinc/49/05/62/935490562.db2.gz CKGCBJZXAYWHHJ-MRXNPFEDSA-N 1 2 373.478 3.783 20 5 FHBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+]1Cc1ccccc1 ZINC000540536684 935490565 /nfs/dbraw/zinc/49/05/65/935490565.db2.gz CKGCBJZXAYWHHJ-MRXNPFEDSA-N 1 2 373.478 3.783 20 5 FHBDLO C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000127744658 935767688 /nfs/dbraw/zinc/76/76/88/935767688.db2.gz FQOXLNUWQMGTHW-XHDPSFHLSA-N 1 2 363.805 3.560 20 5 FHBDLO O=[N+]([O-])c1ncccc1C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC001167674239 938632534 /nfs/dbraw/zinc/63/25/34/938632534.db2.gz IXXXUSOBSCSKOB-UHFFFAOYSA-N 1 2 366.396 3.769 20 5 FHBDLO O=[N+]([O-])c1ncccc1C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC001167674239 938632537 /nfs/dbraw/zinc/63/25/37/938632537.db2.gz IXXXUSOBSCSKOB-UHFFFAOYSA-N 1 2 366.396 3.769 20 5 FHBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000472336823 938994767 /nfs/dbraw/zinc/99/47/67/938994767.db2.gz OCBJDELNGCUIPC-YJYMSZOUSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000472336823 938994768 /nfs/dbraw/zinc/99/47/68/938994768.db2.gz OCBJDELNGCUIPC-YJYMSZOUSA-N 1 2 357.385 3.756 20 5 FHBDLO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179315799 939080003 /nfs/dbraw/zinc/08/00/03/939080003.db2.gz QMFWURXNRIBWRC-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179315799 939080007 /nfs/dbraw/zinc/08/00/07/939080007.db2.gz QMFWURXNRIBWRC-UHFFFAOYSA-N 1 2 352.337 3.837 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179437774 939159563 /nfs/dbraw/zinc/15/95/63/939159563.db2.gz ZSXGNZOOGHEZNF-UHFFFAOYSA-N 1 2 350.378 3.958 20 5 FHBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053116740 940261520 /nfs/dbraw/zinc/26/15/20/940261520.db2.gz KIJSZEMGEDOJQD-UHFFFAOYSA-N 1 2 368.220 3.633 20 5 FHBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053116740 940261522 /nfs/dbraw/zinc/26/15/22/940261522.db2.gz KIJSZEMGEDOJQD-UHFFFAOYSA-N 1 2 368.220 3.633 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180094255 940467969 /nfs/dbraw/zinc/46/79/69/940467969.db2.gz UKVBYNBQYFCVOQ-NSHDSACASA-N 1 2 374.828 3.994 20 5 FHBDLO C[C@@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000066460375 940494875 /nfs/dbraw/zinc/49/48/75/940494875.db2.gz JVOAFANAZOYCHR-HNNXBMFYSA-N 1 2 364.405 3.656 20 5 FHBDLO CCOc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C ZINC000066526005 940601568 /nfs/dbraw/zinc/60/15/68/940601568.db2.gz XUILZLKHEQRGPL-UHFFFAOYSA-N 1 2 366.377 3.740 20 5 FHBDLO CCOc1cccc(NC2CC[NH+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000376924918 941467736 /nfs/dbraw/zinc/46/77/36/941467736.db2.gz AJSBPIPUBZFMRK-UHFFFAOYSA-N 1 2 362.455 3.527 20 5 FHBDLO Cc1ccnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000541107678 941602050 /nfs/dbraw/zinc/60/20/50/941602050.db2.gz ZXWJDXQIOKGUDC-UHFFFAOYSA-N 1 2 361.829 3.995 20 5 FHBDLO CC(C)(C)c1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000101863594 942021235 /nfs/dbraw/zinc/02/12/35/942021235.db2.gz DKBOMSUMLDLQEG-UHFFFAOYSA-N 1 2 356.426 3.566 20 5 FHBDLO CC[C@@H]1C[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CC)O1 ZINC000420945814 942269410 /nfs/dbraw/zinc/26/94/10/942269410.db2.gz BGKVEKFHFNBFKU-DAXOMENPSA-N 1 2 360.414 3.595 20 5 FHBDLO Cc1cc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(C)[nH+]1 ZINC000421087979 942339239 /nfs/dbraw/zinc/33/92/39/942339239.db2.gz KITODMJLTVHADU-UHFFFAOYSA-N 1 2 366.324 3.530 20 5 FHBDLO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636943 942385276 /nfs/dbraw/zinc/38/52/76/942385276.db2.gz AUCIJIADIOJFCM-QWRGUYRKSA-N 1 2 370.247 3.559 20 5 FHBDLO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636943 942385281 /nfs/dbraw/zinc/38/52/81/942385281.db2.gz AUCIJIADIOJFCM-QWRGUYRKSA-N 1 2 370.247 3.559 20 5 FHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000016419969 942582422 /nfs/dbraw/zinc/58/24/22/942582422.db2.gz XSJQVSWTDPBFGV-CVEARBPZSA-N 1 2 355.438 3.807 20 5 FHBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000016419969 942582428 /nfs/dbraw/zinc/58/24/28/942582428.db2.gz XSJQVSWTDPBFGV-CVEARBPZSA-N 1 2 355.438 3.807 20 5 FHBDLO Cn1cc(CNc2ccc3c(c2)CCC[NH2+]3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414850321 942853703 /nfs/dbraw/zinc/85/37/03/942853703.db2.gz MOUBEHRSEKLFLD-UHFFFAOYSA-N 1 2 363.421 3.966 20 5 FHBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1[N+](=O)[O-] ZINC000434190453 943056285 /nfs/dbraw/zinc/05/62/85/943056285.db2.gz TYSJTQPFAOWZNR-UHFFFAOYSA-N 1 2 374.788 3.533 20 5 FHBDLO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000514966881 943413004 /nfs/dbraw/zinc/41/30/04/943413004.db2.gz RSGFTOFGNFWBMU-HNNXBMFYSA-N 1 2 368.792 3.873 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCCC2 ZINC000417311025 943507790 /nfs/dbraw/zinc/50/77/90/943507790.db2.gz NFIJQQXQDGPKDZ-LJQANCHMSA-N 1 2 368.437 3.706 20 5 FHBDLO COc1cc(C[NH2+][C@H](C)c2c(F)cccc2OC)c([N+](=O)[O-])cc1F ZINC000184309608 944566259 /nfs/dbraw/zinc/56/62/59/944566259.db2.gz PJLYARZNEJELAW-SNVBAGLBSA-N 1 2 352.337 3.741 20 5 FHBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184303839 944582230 /nfs/dbraw/zinc/58/22/30/944582230.db2.gz JXDFVEXDGQOGFV-JTQLQIEISA-N 1 2 352.337 3.741 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])cc1OC ZINC000162773982 944823143 /nfs/dbraw/zinc/82/31/43/944823143.db2.gz QZJUDBBYZXCTCO-UHFFFAOYSA-N 1 2 356.831 3.959 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])cc1OC ZINC000162773982 944823148 /nfs/dbraw/zinc/82/31/48/944823148.db2.gz QZJUDBBYZXCTCO-UHFFFAOYSA-N 1 2 356.831 3.959 20 5 FHBDLO Cc1cn2cc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc2[nH+]1 ZINC000426103110 944904352 /nfs/dbraw/zinc/90/43/52/944904352.db2.gz SYTSLXGPFUMFGN-UHFFFAOYSA-N 1 2 365.393 3.747 20 5 FHBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000301535595 945835050 /nfs/dbraw/zinc/83/50/50/945835050.db2.gz MKRJJLDFGUDRNT-UHFFFAOYSA-N 1 2 374.198 3.550 20 5 FHBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(C)o1 ZINC000549541789 945989979 /nfs/dbraw/zinc/98/99/79/945989979.db2.gz DVIHTMMYKQRDBN-CQSZACIVSA-N 1 2 358.316 3.992 20 5 FHBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000186180451 946585682 /nfs/dbraw/zinc/58/56/82/946585682.db2.gz SNDLQVODAAICAL-SECBINFHSA-N 1 2 368.220 3.851 20 5 FHBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000541645422 946878096 /nfs/dbraw/zinc/87/80/96/946878096.db2.gz FIQFTXBIASCKOE-ZDUSSCGKSA-N 1 2 355.398 3.878 20 5 FHBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCC2 ZINC000444659714 947077718 /nfs/dbraw/zinc/07/77/18/947077718.db2.gz QHZXCPKBDJGWMY-HNNXBMFYSA-N 1 2 371.466 3.999 20 5 FHBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CCC2 ZINC000444659714 947077708 /nfs/dbraw/zinc/07/77/08/947077708.db2.gz QHZXCPKBDJGWMY-HNNXBMFYSA-N 1 2 371.466 3.999 20 5 FHBDLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000444745506 947182677 /nfs/dbraw/zinc/18/26/77/947182677.db2.gz RJNKYTMUFXKFBG-UHFFFAOYSA-N 1 2 365.792 3.766 20 5 FHBDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000444745506 947182684 /nfs/dbraw/zinc/18/26/84/947182684.db2.gz RJNKYTMUFXKFBG-UHFFFAOYSA-N 1 2 365.792 3.766 20 5 FHBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523858164 947667747 /nfs/dbraw/zinc/66/77/47/947667747.db2.gz RJVCXGJRZMAPGN-UHFFFAOYSA-N 1 2 353.850 3.506 20 5 FHBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523858164 947667753 /nfs/dbraw/zinc/66/77/53/947667753.db2.gz RJVCXGJRZMAPGN-UHFFFAOYSA-N 1 2 353.850 3.506 20 5 FHBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000015171191 947842629 /nfs/dbraw/zinc/84/26/29/947842629.db2.gz NCCJPJGXBJHFRT-MRXNPFEDSA-N 1 2 361.829 3.561 20 5 FHBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000015171191 947842633 /nfs/dbraw/zinc/84/26/33/947842633.db2.gz NCCJPJGXBJHFRT-MRXNPFEDSA-N 1 2 361.829 3.561 20 5 FHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000441493539 948022497 /nfs/dbraw/zinc/02/24/97/948022497.db2.gz SZZKDHNNNGIMSK-LJQANCHMSA-N 1 2 364.405 3.579 20 5 FHBDLO Cc1cc(Cl)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000014492512 220124502 /nfs/dbraw/zinc/12/45/02/220124502.db2.gz QVIQRKKUPTXQNO-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000072034417 221398643 /nfs/dbraw/zinc/39/86/43/221398643.db2.gz DABVXJPHROKVTP-GOSISDBHSA-N 1 2 371.462 3.632 20 5 FHBDLO CC(C)(CCc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000291067378 568000938 /nfs/dbraw/zinc/00/09/38/568000938.db2.gz KYRGITMCAGRDTG-HNNXBMFYSA-N 1 2 362.405 3.534 20 5 FHBDLO CC(C)(CCc1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000291067378 568000939 /nfs/dbraw/zinc/00/09/39/568000939.db2.gz KYRGITMCAGRDTG-HNNXBMFYSA-N 1 2 362.405 3.534 20 5 FHBDLO O=[N+]([O-])c1sc(C[NH+]2CCC(c3ccon3)CC2)cc1Br ZINC000602717888 568014857 /nfs/dbraw/zinc/01/48/57/568014857.db2.gz JRXYSQZZJHYBGF-UHFFFAOYSA-N 1 2 372.244 3.786 20 5 FHBDLO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)C1 ZINC000541891793 568075564 /nfs/dbraw/zinc/07/55/64/568075564.db2.gz VSKLPYHERGCJEH-AWEZNQCLSA-N 1 2 369.421 3.785 20 5 FHBDLO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)C1 ZINC000541891793 568075565 /nfs/dbraw/zinc/07/55/65/568075565.db2.gz VSKLPYHERGCJEH-AWEZNQCLSA-N 1 2 369.421 3.785 20 5 FHBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541940645 568257367 /nfs/dbraw/zinc/25/73/67/568257367.db2.gz WPZQYUPCGYEHGZ-UHFFFAOYSA-N 1 2 374.303 3.839 20 5 FHBDLO CCc1nn(C)c(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)c1[N+](=O)[O-] ZINC000569217565 568313352 /nfs/dbraw/zinc/31/33/52/568313352.db2.gz QULOYSIBPLWFMB-CHWSQXEVSA-N 1 2 368.441 3.905 20 5 FHBDLO CC(C)(C)c1[nH]c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000032465252 568391079 /nfs/dbraw/zinc/39/10/79/568391079.db2.gz YPMWSYMNFRFGOA-UHFFFAOYSA-N 1 2 368.393 3.786 20 5 FHBDLO Cc1cc(NC2CC(C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000569525079 568405358 /nfs/dbraw/zinc/40/53/58/568405358.db2.gz ROMUWSLEKULWLI-UHFFFAOYSA-N 1 2 352.316 3.535 20 5 FHBDLO O=[N+]([O-])c1cc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cs1 ZINC000182043352 568576166 /nfs/dbraw/zinc/57/61/66/568576166.db2.gz GDXNXFNJEVCWFJ-UHFFFAOYSA-N 1 2 368.462 3.654 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000430194204 927819027 /nfs/dbraw/zinc/81/90/27/927819027.db2.gz IHIOAXHNLMUAMO-UHFFFAOYSA-N 1 2 354.406 3.698 20 5 FHBDLO CCOC(=O)C(C)(C)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510092022 928098459 /nfs/dbraw/zinc/09/84/59/928098459.db2.gz LQCKVGAYOUTCIR-UHFFFAOYSA-N 1 2 370.396 3.674 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2cnn(Cc3[nH+]ccn3Cc3ccccc3)c2)cc1 ZINC000609150922 929014350 /nfs/dbraw/zinc/01/43/50/929014350.db2.gz KVHPTYNIZITIJT-UHFFFAOYSA-N 1 2 359.389 3.751 20 5 FHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000187317979 929909613 /nfs/dbraw/zinc/90/96/13/929909613.db2.gz XFZGYRPOJZCFKV-SECBINFHSA-N 1 2 354.179 3.742 20 5 FHBDLO O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610434276 930531786 /nfs/dbraw/zinc/53/17/86/930531786.db2.gz SQMBMOFVQQGHEH-HLLBOEOZSA-N 1 2 368.437 3.869 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000610476204 931540094 /nfs/dbraw/zinc/54/00/94/931540094.db2.gz HRJHZZIEBDUXRA-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000610476204 931540100 /nfs/dbraw/zinc/54/01/00/931540100.db2.gz HRJHZZIEBDUXRA-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510542808 933206639 /nfs/dbraw/zinc/20/66/39/933206639.db2.gz CEOOARAZGYKEMU-CABCVRRESA-N 1 2 356.426 3.727 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610605051 933514460 /nfs/dbraw/zinc/51/44/60/933514460.db2.gz WGLPZDIKISOKGM-GHMZBOCLSA-N 1 2 372.265 3.776 20 5 FHBDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1[C@H](C)C[C@H]1C ZINC000548424982 933621475 /nfs/dbraw/zinc/62/14/75/933621475.db2.gz HAJCPPQVDRZEBC-IJLUTSLNSA-N 1 2 360.439 3.528 20 5 FHBDLO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3c3ncc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000437979456 945096453 /nfs/dbraw/zinc/09/64/53/945096453.db2.gz YBMUWPJQMQHZPE-INIZCTEOSA-N 1 2 368.393 3.924 20 5 FHBDLO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3c3ncc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000437979456 945096460 /nfs/dbraw/zinc/09/64/60/945096460.db2.gz YBMUWPJQMQHZPE-INIZCTEOSA-N 1 2 368.393 3.924 20 5 FHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCOC[C@@H]2C)cc1OC ZINC000611668198 935890651 /nfs/dbraw/zinc/89/06/51/935890651.db2.gz DOCKQGCYVKYVQF-CABCVRRESA-N 1 2 366.458 3.639 20 5 FHBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCOC[C@@H]2C)cc1OC ZINC000611668198 935890655 /nfs/dbraw/zinc/89/06/55/935890655.db2.gz DOCKQGCYVKYVQF-CABCVRRESA-N 1 2 366.458 3.639 20 5 FHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511179715 935925546 /nfs/dbraw/zinc/92/55/46/935925546.db2.gz ARNXBELDAISBNZ-UHFFFAOYSA-N 1 2 367.236 3.924 20 5 FHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511179715 935925547 /nfs/dbraw/zinc/92/55/47/935925547.db2.gz ARNXBELDAISBNZ-UHFFFAOYSA-N 1 2 367.236 3.924 20 5 FHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135603814 936023607 /nfs/dbraw/zinc/02/36/07/936023607.db2.gz JPLIFZAZAQVGAM-KRWDZBQOSA-N 1 2 358.442 3.625 20 5 FHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135603814 936023608 /nfs/dbraw/zinc/02/36/08/936023608.db2.gz JPLIFZAZAQVGAM-KRWDZBQOSA-N 1 2 358.442 3.625 20 5 FHBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000472333121 938990858 /nfs/dbraw/zinc/99/08/58/938990858.db2.gz BADPQSYCHIVUCO-QGZVFWFLSA-N 1 2 367.409 3.711 20 5 FHBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000472333121 938990859 /nfs/dbraw/zinc/99/08/59/938990859.db2.gz BADPQSYCHIVUCO-QGZVFWFLSA-N 1 2 367.409 3.711 20 5 FHBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179710204 939924718 /nfs/dbraw/zinc/92/47/18/939924718.db2.gz RNIIJSXBRLGBMA-HNNXBMFYSA-N 1 2 351.353 3.872 20 5 FHBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179710204 939924721 /nfs/dbraw/zinc/92/47/21/939924721.db2.gz RNIIJSXBRLGBMA-HNNXBMFYSA-N 1 2 351.353 3.872 20 5 FHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411923506 940162264 /nfs/dbraw/zinc/16/22/64/940162264.db2.gz KVFBDNLUOACUQL-DOTOQJQBSA-N 1 2 366.339 3.922 20 5 FHBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411923506 940162265 /nfs/dbraw/zinc/16/22/65/940162265.db2.gz KVFBDNLUOACUQL-DOTOQJQBSA-N 1 2 366.339 3.922 20 5 FHBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000581442819 940503522 /nfs/dbraw/zinc/50/35/22/940503522.db2.gz XQZAUTGXNOWLLB-SFHVURJKSA-N 1 2 362.813 3.701 20 5 FHBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000581442819 940503523 /nfs/dbraw/zinc/50/35/23/940503523.db2.gz XQZAUTGXNOWLLB-SFHVURJKSA-N 1 2 362.813 3.701 20 5 FHBDLO COc1cc(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000613384163 940659121 /nfs/dbraw/zinc/65/91/21/940659121.db2.gz UBYPWUPKTHKSHP-GXSJLCMTSA-N 1 2 350.312 3.905 20 5 FHBDLO COc1cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000613384163 940659122 /nfs/dbraw/zinc/65/91/22/940659122.db2.gz UBYPWUPKTHKSHP-GXSJLCMTSA-N 1 2 350.312 3.905 20 5 FHBDLO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452014946 940792786 /nfs/dbraw/zinc/79/27/86/940792786.db2.gz UVMCQAIJEGVJGG-JTQLQIEISA-N 1 2 370.247 3.559 20 5 FHBDLO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452014946 940792788 /nfs/dbraw/zinc/79/27/88/940792788.db2.gz UVMCQAIJEGVJGG-JTQLQIEISA-N 1 2 370.247 3.559 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180468577 941023907 /nfs/dbraw/zinc/02/39/07/941023907.db2.gz DBEGZBBYJKVSHW-UHFFFAOYSA-N 1 2 353.378 3.664 20 5 FHBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180468577 941023910 /nfs/dbraw/zinc/02/39/10/941023910.db2.gz DBEGZBBYJKVSHW-UHFFFAOYSA-N 1 2 353.378 3.664 20 5 FHBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000255921153 941068635 /nfs/dbraw/zinc/06/86/35/941068635.db2.gz TVWGKSAGYGKSAU-TWGQIWQCSA-N 1 2 372.450 3.689 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(Oc4ccccc4)CC3)nc2c1 ZINC000177022138 941094426 /nfs/dbraw/zinc/09/44/26/941094426.db2.gz VRLXJVXKRCHPHS-UHFFFAOYSA-N 1 2 353.378 3.779 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000181337308 941124802 /nfs/dbraw/zinc/12/48/02/941124802.db2.gz IEWKOJZBFWVPDB-HUUCEWRRSA-N 1 2 351.410 3.896 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949637 942271722 /nfs/dbraw/zinc/27/17/22/942271722.db2.gz OWZPVLOTZLHUJE-NEPJUHHUSA-N 1 2 359.348 3.586 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949637 942271724 /nfs/dbraw/zinc/27/17/24/942271724.db2.gz OWZPVLOTZLHUJE-NEPJUHHUSA-N 1 2 359.348 3.586 20 5 FHBDLO CCCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000501135337 942324450 /nfs/dbraw/zinc/32/44/50/942324450.db2.gz OAQWSHZETDQKPQ-CRAIPNDOSA-N 1 2 368.437 3.505 20 5 FHBDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000015766736 942370450 /nfs/dbraw/zinc/37/04/50/942370450.db2.gz AKLXUSOZZGDSRK-UHFFFAOYSA-N 1 2 367.449 3.676 20 5 FHBDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccncc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000366825046 942425476 /nfs/dbraw/zinc/42/54/76/942425476.db2.gz JZNOWTPWDQYYBG-OAHLLOKOSA-N 1 2 373.413 3.888 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000514105330 942749071 /nfs/dbraw/zinc/74/90/71/942749071.db2.gz QQJFFIJSEAPVNA-UHFFFAOYSA-N 1 2 364.442 3.547 20 5 FHBDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)ccc1[N+](=O)[O-] ZINC000014524714 943370908 /nfs/dbraw/zinc/37/09/08/943370908.db2.gz MRBTVXXMROGIQH-UHFFFAOYSA-N 1 2 360.439 3.598 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000425425904 943897754 /nfs/dbraw/zinc/89/77/54/943897754.db2.gz VGIMCNOBJZDKKQ-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000425425904 943897765 /nfs/dbraw/zinc/89/77/65/943897765.db2.gz VGIMCNOBJZDKKQ-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516157313 944544141 /nfs/dbraw/zinc/54/41/41/944544141.db2.gz MMQTZBLVKJHMLY-LBPRGKRZSA-N 1 2 364.808 3.666 20 5 FHBDLO Cc1ccccc1[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507205257 945030843 /nfs/dbraw/zinc/03/08/43/945030843.db2.gz MBBQGSFCNWMXCO-AWEZNQCLSA-N 1 2 373.840 3.985 20 5 FHBDLO Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507205257 945030850 /nfs/dbraw/zinc/03/08/50/945030850.db2.gz MBBQGSFCNWMXCO-AWEZNQCLSA-N 1 2 373.840 3.985 20 5 FHBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000519749582 945716049 /nfs/dbraw/zinc/71/60/49/945716049.db2.gz XJLXQNVITAPNQQ-APWZRJJASA-N 1 2 360.385 3.792 20 5 FHBDLO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301472360 945802211 /nfs/dbraw/zinc/80/22/11/945802211.db2.gz KSUBPUBKZLPSKQ-AWEZNQCLSA-N 1 2 360.845 3.835 20 5 FHBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC000475509794 946520689 /nfs/dbraw/zinc/52/06/89/946520689.db2.gz MXGQUABLNBRTRT-SECBINFHSA-N 1 2 354.179 3.742 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)o2)cc1 ZINC000186171195 946584343 /nfs/dbraw/zinc/58/43/43/946584343.db2.gz YWOXHOIUOIDHFD-UHFFFAOYSA-N 1 2 362.389 3.692 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3Cc4ccccc4C4(CC4)C3)o2)cc1 ZINC000186171195 946584347 /nfs/dbraw/zinc/58/43/47/946584347.db2.gz YWOXHOIUOIDHFD-UHFFFAOYSA-N 1 2 362.389 3.692 20 5 FHBDLO Cc1cn2cc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000523009467 946637734 /nfs/dbraw/zinc/63/77/34/946637734.db2.gz LDSCZSMNYFMHKB-LBPRGKRZSA-N 1 2 356.407 3.670 20 5 FHBDLO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112089491 946659047 /nfs/dbraw/zinc/65/90/47/946659047.db2.gz AVNHZQQONURNNA-ZDUSSCGKSA-N 1 2 371.890 3.794 20 5 FHBDLO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000112089491 946659055 /nfs/dbraw/zinc/65/90/55/946659055.db2.gz AVNHZQQONURNNA-ZDUSSCGKSA-N 1 2 371.890 3.794 20 5 FHBDLO COc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181823468 947126794 /nfs/dbraw/zinc/12/67/94/947126794.db2.gz YSZPSURHDNENGH-ZDUSSCGKSA-N 1 2 368.393 3.813 20 5 FHBDLO Cc1cc(C)cc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000444710298 947139082 /nfs/dbraw/zinc/13/90/82/947139082.db2.gz UZAOLLRROOXMMN-UHFFFAOYSA-N 1 2 352.394 3.894 20 5 FHBDLO Cc1cc(C)cc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000444710298 947139090 /nfs/dbraw/zinc/13/90/90/947139090.db2.gz UZAOLLRROOXMMN-UHFFFAOYSA-N 1 2 352.394 3.894 20 5 FHBDLO Cc1cc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000444736555 947152032 /nfs/dbraw/zinc/15/20/32/947152032.db2.gz AAODJRVQERTSHO-UHFFFAOYSA-N 1 2 356.357 3.724 20 5 FHBDLO Cc1cc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000444736555 947152023 /nfs/dbraw/zinc/15/20/23/947152023.db2.gz AAODJRVQERTSHO-UHFFFAOYSA-N 1 2 356.357 3.724 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000015143244 220148199 /nfs/dbraw/zinc/14/81/99/220148199.db2.gz UIZVBIKSNCHBCU-GOSISDBHSA-N 1 2 361.829 3.734 20 5 FHBDLO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000291578107 568216414 /nfs/dbraw/zinc/21/64/14/568216414.db2.gz UKIISMCCMYLGDF-UHFFFAOYSA-N 1 2 369.208 3.575 20 5 FHBDLO CC(C)([NH2+]Cc1nccn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000291687461 568264579 /nfs/dbraw/zinc/26/45/79/568264579.db2.gz INNLSJNISFGKQS-UHFFFAOYSA-N 1 2 350.422 3.865 20 5 FHBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000569859316 568431067 /nfs/dbraw/zinc/43/10/67/568431067.db2.gz CWZHENKYYLMEQF-UHFFFAOYSA-N 1 2 374.759 3.503 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079102734 936353490 /nfs/dbraw/zinc/35/34/90/936353490.db2.gz ZEJKNDBYAPWIPF-UHFFFAOYSA-N 1 2 369.425 3.610 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000430221811 928284200 /nfs/dbraw/zinc/28/42/00/928284200.db2.gz UGGZXFDERZBUBB-FOIQADDNSA-N 1 2 356.422 3.874 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000430221811 928284214 /nfs/dbraw/zinc/28/42/14/928284214.db2.gz UGGZXFDERZBUBB-FOIQADDNSA-N 1 2 356.422 3.874 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N(Cc1ccccc1)C1CC1 ZINC000032626633 928940913 /nfs/dbraw/zinc/94/09/13/928940913.db2.gz JTXYVTAHNOUKHB-UHFFFAOYSA-N 1 2 362.389 3.585 20 5 FHBDLO CCOc1ccc(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000119189698 930831071 /nfs/dbraw/zinc/83/10/71/930831071.db2.gz XYOQDWVXEBTENX-ZDUSSCGKSA-N 1 2 373.409 3.751 20 5 FHBDLO CCOc1ccc(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])c1 ZINC000119189698 930831076 /nfs/dbraw/zinc/83/10/76/930831076.db2.gz XYOQDWVXEBTENX-ZDUSSCGKSA-N 1 2 373.409 3.751 20 5 FHBDLO CSc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178075978 932313540 /nfs/dbraw/zinc/31/35/40/932313540.db2.gz IULQFBXFQBFQMD-UHFFFAOYSA-N 1 2 371.462 3.920 20 5 FHBDLO CSc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178075978 932313543 /nfs/dbraw/zinc/31/35/43/932313543.db2.gz IULQFBXFQBFQMD-UHFFFAOYSA-N 1 2 371.462 3.920 20 5 FHBDLO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510760733 933664363 /nfs/dbraw/zinc/66/43/63/933664363.db2.gz FDISCWVVFGZZOO-OAHLLOKOSA-N 1 2 350.365 3.563 20 5 FHBDLO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510760733 933664367 /nfs/dbraw/zinc/66/43/67/933664367.db2.gz FDISCWVVFGZZOO-OAHLLOKOSA-N 1 2 350.365 3.563 20 5 FHBDLO Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000538551193 934866627 /nfs/dbraw/zinc/86/66/27/934866627.db2.gz KESOLYQKYGDVQN-GOSISDBHSA-N 1 2 371.462 3.632 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)c3ccsc3)cs2)c1 ZINC000472080792 934965197 /nfs/dbraw/zinc/96/51/97/934965197.db2.gz TUMAQQAOMMXDRO-OAHLLOKOSA-N 1 2 361.448 3.603 20 5 FHBDLO Cc1c(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000611575324 935243660 /nfs/dbraw/zinc/24/36/60/935243660.db2.gz GDENCFWWCWZZMP-QGZVFWFLSA-N 1 2 368.355 3.829 20 5 FHBDLO Cc1c(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000611575324 935243665 /nfs/dbraw/zinc/24/36/65/935243665.db2.gz GDENCFWWCWZZMP-QGZVFWFLSA-N 1 2 368.355 3.829 20 5 FHBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511097152 935511640 /nfs/dbraw/zinc/51/16/40/935511640.db2.gz SYAPCLWEHIUDQV-UHFFFAOYSA-N 1 2 368.359 3.759 20 5 FHBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000511097152 935511643 /nfs/dbraw/zinc/51/16/43/935511643.db2.gz SYAPCLWEHIUDQV-UHFFFAOYSA-N 1 2 368.359 3.759 20 5 FHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000511112219 935631201 /nfs/dbraw/zinc/63/12/01/935631201.db2.gz YGFYILRKSNFJSY-CQSZACIVSA-N 1 2 355.394 3.613 20 5 FHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000511112219 935631204 /nfs/dbraw/zinc/63/12/04/935631204.db2.gz YGFYILRKSNFJSY-CQSZACIVSA-N 1 2 355.394 3.613 20 5 FHBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000158422730 935786637 /nfs/dbraw/zinc/78/66/37/935786637.db2.gz BRWLZGYEUHKZQB-UHFFFAOYSA-N 1 2 355.438 3.899 20 5 FHBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000158422730 935786639 /nfs/dbraw/zinc/78/66/39/935786639.db2.gz BRWLZGYEUHKZQB-UHFFFAOYSA-N 1 2 355.438 3.899 20 5 FHBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000091955044 938909040 /nfs/dbraw/zinc/90/90/40/938909040.db2.gz AZBLHGDMSNCZDD-UHFFFAOYSA-N 1 2 352.394 3.556 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OC ZINC000179315605 939080331 /nfs/dbraw/zinc/08/03/31/939080331.db2.gz WRQXJDCMABBNOB-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OC ZINC000179315605 939080336 /nfs/dbraw/zinc/08/03/36/939080336.db2.gz WRQXJDCMABBNOB-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC000506442556 945238495 /nfs/dbraw/zinc/23/84/95/945238495.db2.gz FZBCJUWEPPEWEF-UHFFFAOYSA-N 1 2 351.859 3.628 20 5 FHBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179710219 939924563 /nfs/dbraw/zinc/92/45/63/939924563.db2.gz RNIIJSXBRLGBMA-OAHLLOKOSA-N 1 2 351.353 3.872 20 5 FHBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000179710219 939924565 /nfs/dbraw/zinc/92/45/65/939924565.db2.gz RNIIJSXBRLGBMA-OAHLLOKOSA-N 1 2 351.353 3.872 20 5 FHBDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000582169241 940658565 /nfs/dbraw/zinc/65/85/65/940658565.db2.gz CDPSEJGPZBRQGZ-AWEZNQCLSA-N 1 2 371.359 3.588 20 5 FHBDLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000582169241 940658567 /nfs/dbraw/zinc/65/85/67/940658567.db2.gz CDPSEJGPZBRQGZ-AWEZNQCLSA-N 1 2 371.359 3.588 20 5 FHBDLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1ccccc1[N+](=O)[O-] ZINC000215875844 941166443 /nfs/dbraw/zinc/16/64/43/941166443.db2.gz UJXZFEFRPDCATH-UHFFFAOYSA-N 1 2 365.389 3.956 20 5 FHBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119221656 941870697 /nfs/dbraw/zinc/87/06/97/941870697.db2.gz HYOSABLUMUJNTL-CQSZACIVSA-N 1 2 360.845 3.522 20 5 FHBDLO Cc1cc(CNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc(C)[nH+]1 ZINC000421576365 942668084 /nfs/dbraw/zinc/66/80/84/942668084.db2.gz LZRFGCOHIARHDD-UHFFFAOYSA-N 1 2 353.300 3.555 20 5 FHBDLO Cc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421577322 942669086 /nfs/dbraw/zinc/66/90/86/942669086.db2.gz FENRPNZEFSKTSA-UHFFFAOYSA-N 1 2 353.300 3.555 20 5 FHBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435025437 943109882 /nfs/dbraw/zinc/10/98/82/943109882.db2.gz DAFXRTAFFBTELH-ALCCZGGFSA-N 1 2 354.341 3.587 20 5 FHBDLO C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000473555007 943424515 /nfs/dbraw/zinc/42/45/15/943424515.db2.gz RLAZCJSYKZJZJP-GJZGRUSLSA-N 1 2 364.405 3.703 20 5 FHBDLO CC(C)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001269533116 943571303 /nfs/dbraw/zinc/57/13/03/943571303.db2.gz NHRIWBWCFKBMIO-UHFFFAOYSA-N 1 2 364.405 3.834 20 5 FHBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425421866 943868857 /nfs/dbraw/zinc/86/88/57/943868857.db2.gz MNLDIYHCSLRRIO-CQSZACIVSA-N 1 2 357.248 3.604 20 5 FHBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425421866 943868865 /nfs/dbraw/zinc/86/88/65/943868865.db2.gz MNLDIYHCSLRRIO-CQSZACIVSA-N 1 2 357.248 3.604 20 5 FHBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000504899906 943878142 /nfs/dbraw/zinc/87/81/42/943878142.db2.gz OESUODBHAQCQHD-LLVKDONJSA-N 1 2 350.444 3.819 20 5 FHBDLO COc1c(C)c[nH+]c(CN(C)c2cc(C(F)(F)F)ncc2[N+](=O)[O-])c1C ZINC000436314427 944192708 /nfs/dbraw/zinc/19/27/08/944192708.db2.gz FEWGOOSVSALSOY-UHFFFAOYSA-N 1 2 370.331 3.665 20 5 FHBDLO Cc1cn2cc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)ccc2[nH+]1 ZINC000436362938 944249274 /nfs/dbraw/zinc/24/92/74/944249274.db2.gz MAEABGGYKUSLFA-UHFFFAOYSA-N 1 2 368.396 3.890 20 5 FHBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000517439378 944297286 /nfs/dbraw/zinc/29/72/86/944297286.db2.gz WGDLVHGCLDJJLB-UHFFFAOYSA-N 1 2 374.466 3.839 20 5 FHBDLO CC(C)(C)[C@H]([NH2+]Cn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000123578076 944384495 /nfs/dbraw/zinc/38/44/95/944384495.db2.gz YIRWXVCUNQQXJN-QGZVFWFLSA-N 1 2 355.394 3.837 20 5 FHBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184303854 944582309 /nfs/dbraw/zinc/58/23/09/944582309.db2.gz JXDFVEXDGQOGFV-SNVBAGLBSA-N 1 2 352.337 3.741 20 5 FHBDLO C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000164242275 945430361 /nfs/dbraw/zinc/43/03/61/945430361.db2.gz UNYKQLCDKGFEPF-MRXNPFEDSA-N 1 2 350.422 3.885 20 5 FHBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc2[nH+]1 ZINC000550052656 945643326 /nfs/dbraw/zinc/64/33/26/945643326.db2.gz KECBFEDPLBNHEB-UHFFFAOYSA-N 1 2 364.283 3.822 20 5 FHBDLO O=C(Nc1nc2ccsc2s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000522729234 945727166 /nfs/dbraw/zinc/72/71/66/945727166.db2.gz QLFMPIKQJKLCTE-UHFFFAOYSA-N 1 2 371.403 3.704 20 5 FHBDLO O=[N+]([O-])c1ccc([C@@H](NCCCNc2cccc[nH+]2)C(F)(F)F)cc1 ZINC000519831656 945792861 /nfs/dbraw/zinc/79/28/61/945792861.db2.gz WSILVPRNXXCSRV-OAHLLOKOSA-N 1 2 354.332 3.685 20 5 FHBDLO COc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000475459845 946246578 /nfs/dbraw/zinc/24/65/78/946246578.db2.gz CITNVVZGUFMJAM-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000475563358 946657733 /nfs/dbraw/zinc/65/77/33/946657733.db2.gz BIWLVYAOPKKQFB-UHFFFAOYSA-N 1 2 367.352 3.540 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2cnccc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000475563358 946657739 /nfs/dbraw/zinc/65/77/39/946657739.db2.gz BIWLVYAOPKKQFB-UHFFFAOYSA-N 1 2 367.352 3.540 20 5 FHBDLO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC001168074010 946752185 /nfs/dbraw/zinc/75/21/85/946752185.db2.gz PBAWFDCBCXDUEV-CQSZACIVSA-N 1 2 359.401 3.973 20 5 FHBDLO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ccccc1 ZINC001168074010 946752194 /nfs/dbraw/zinc/75/21/94/946752194.db2.gz PBAWFDCBCXDUEV-CQSZACIVSA-N 1 2 359.401 3.973 20 5 FHBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279850 946817108 /nfs/dbraw/zinc/81/71/08/946817108.db2.gz OQXSRJZHNBYDLE-GZMMTYOYSA-N 1 2 354.275 3.969 20 5 FHBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279850 946817123 /nfs/dbraw/zinc/81/71/23/946817123.db2.gz OQXSRJZHNBYDLE-GZMMTYOYSA-N 1 2 354.275 3.969 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@H]2C ZINC000444679709 947104232 /nfs/dbraw/zinc/10/42/32/947104232.db2.gz BINFIPDSXZQRSB-OLZOCXBDSA-N 1 2 366.421 3.988 20 5 FHBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)[C@H]2C ZINC000444679709 947104225 /nfs/dbraw/zinc/10/42/25/947104225.db2.gz BINFIPDSXZQRSB-OLZOCXBDSA-N 1 2 366.421 3.988 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000094152190 948017999 /nfs/dbraw/zinc/01/79/99/948017999.db2.gz KPQBXFWSRVPUOK-UHFFFAOYSA-N 1 2 364.405 3.636 20 5 FHBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359875652 223134425 /nfs/dbraw/zinc/13/44/25/223134425.db2.gz NSYBOFRJRZKDCF-SJCJKPOMSA-N 1 2 374.828 3.665 20 5 FHBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359875652 223134428 /nfs/dbraw/zinc/13/44/28/223134428.db2.gz NSYBOFRJRZKDCF-SJCJKPOMSA-N 1 2 374.828 3.665 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000051451932 567961277 /nfs/dbraw/zinc/96/12/77/567961277.db2.gz VNKBRPWWMSTBCJ-INIZCTEOSA-N 1 2 373.796 3.552 20 5 FHBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000568334111 568025958 /nfs/dbraw/zinc/02/59/58/568025958.db2.gz OZHNUCMYZYABFS-UHFFFAOYSA-N 1 2 374.466 3.568 20 5 FHBDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000569128270 568285398 /nfs/dbraw/zinc/28/53/98/568285398.db2.gz HSPWLPGELKPJRW-VIFPVBQESA-N 1 2 372.347 3.527 20 5 FHBDLO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2[nH+]ccn2c1 ZINC000482150135 568285647 /nfs/dbraw/zinc/28/56/47/568285647.db2.gz CQJWUIHWDJTGOT-UHFFFAOYSA-N 1 2 365.374 3.618 20 5 FHBDLO Cc1cc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C)s1 ZINC000032167183 568368404 /nfs/dbraw/zinc/36/84/04/568368404.db2.gz YHHPGXBAQDSFCB-LBPRGKRZSA-N 1 2 370.434 3.950 20 5 FHBDLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1noc(-c2ccccc2)n1 ZINC000570105917 568451340 /nfs/dbraw/zinc/45/13/40/568451340.db2.gz FMNJKVFHOFNGOF-WBMJQRKESA-N 1 2 350.378 3.983 20 5 FHBDLO COc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000274568091 927156496 /nfs/dbraw/zinc/15/64/96/927156496.db2.gz HCUNLQJXWWHFOZ-QMMMGPOBSA-N 1 2 361.345 3.930 20 5 FHBDLO C[N@@H+](Cc1cc2ccccc2o1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000083113932 928791553 /nfs/dbraw/zinc/79/15/53/928791553.db2.gz HEHVDNVTBUIEQC-UHFFFAOYSA-N 1 2 363.377 3.689 20 5 FHBDLO C[N@H+](Cc1cc2ccccc2o1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000083113932 928791562 /nfs/dbraw/zinc/79/15/62/928791562.db2.gz HEHVDNVTBUIEQC-UHFFFAOYSA-N 1 2 363.377 3.689 20 5 FHBDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000134906088 929599397 /nfs/dbraw/zinc/59/93/97/929599397.db2.gz LZCQXKZSSVGCOL-SECBINFHSA-N 1 2 356.245 3.973 20 5 FHBDLO CC(C)Oc1ccc([C@H](CNCc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000583403949 937412103 /nfs/dbraw/zinc/41/21/03/937412103.db2.gz ZCJLMZKJZSOGMH-FQEVSTJZSA-N 1 2 357.454 3.775 20 5 FHBDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610434277 930532165 /nfs/dbraw/zinc/53/21/65/930532165.db2.gz SQMBMOFVQQGHEH-YQQAZPJKSA-N 1 2 368.437 3.869 20 5 FHBDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000157789297 931318099 /nfs/dbraw/zinc/31/80/99/931318099.db2.gz FCEZQPLHAGTRDR-LLVKDONJSA-N 1 2 357.414 3.847 20 5 FHBDLO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610481356 931589906 /nfs/dbraw/zinc/58/99/06/931589906.db2.gz NQDFTBSXLJDARE-UHFFFAOYSA-N 1 2 358.369 3.534 20 5 FHBDLO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000610737400 932478867 /nfs/dbraw/zinc/47/88/67/932478867.db2.gz WMZWEJDDNDBNID-RDTXWAMCSA-N 1 2 362.451 3.887 20 5 FHBDLO C[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000610737400 932478870 /nfs/dbraw/zinc/47/88/70/932478870.db2.gz WMZWEJDDNDBNID-RDTXWAMCSA-N 1 2 362.451 3.887 20 5 FHBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1c(F)cccc1F ZINC000051287075 932960175 /nfs/dbraw/zinc/96/01/75/932960175.db2.gz MFUVUHPGYNLPFY-OAHLLOKOSA-N 1 2 356.756 3.692 20 5 FHBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1c(F)cccc1F ZINC000051287075 932960180 /nfs/dbraw/zinc/96/01/80/932960180.db2.gz MFUVUHPGYNLPFY-OAHLLOKOSA-N 1 2 356.756 3.692 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)nc2c1 ZINC000610580899 933312066 /nfs/dbraw/zinc/31/20/66/933312066.db2.gz WRDSUBXVRQHQNT-AWEZNQCLSA-N 1 2 373.434 3.979 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)nc2c1 ZINC000610580899 933312077 /nfs/dbraw/zinc/31/20/77/933312077.db2.gz WRDSUBXVRQHQNT-AWEZNQCLSA-N 1 2 373.434 3.979 20 5 FHBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582294 933329135 /nfs/dbraw/zinc/32/91/35/933329135.db2.gz BWQLQIPDGYHDLL-QDXKXIGTSA-N 1 2 373.434 3.666 20 5 FHBDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582294 933329149 /nfs/dbraw/zinc/32/91/49/933329149.db2.gz BWQLQIPDGYHDLL-QDXKXIGTSA-N 1 2 373.434 3.666 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510660063 933376879 /nfs/dbraw/zinc/37/68/79/933376879.db2.gz CGTIDUFTPHVHRT-OAQYLSRUSA-N 1 2 368.433 3.667 20 5 FHBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510660063 933376887 /nfs/dbraw/zinc/37/68/87/933376887.db2.gz CGTIDUFTPHVHRT-OAQYLSRUSA-N 1 2 368.433 3.667 20 5 FHBDLO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000610737399 934028429 /nfs/dbraw/zinc/02/84/29/934028429.db2.gz WMZWEJDDNDBNID-KSSFIOAISA-N 1 2 362.451 3.887 20 5 FHBDLO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000610737399 934028432 /nfs/dbraw/zinc/02/84/32/934028432.db2.gz WMZWEJDDNDBNID-KSSFIOAISA-N 1 2 362.451 3.887 20 5 FHBDLO COc1cc(C[NH2+]Cc2cc(Cl)sc2Cl)c([N+](=O)[O-])cc1O ZINC000536413165 934972521 /nfs/dbraw/zinc/97/25/21/934972521.db2.gz QBECSPOUOQXMKM-UHFFFAOYSA-N 1 2 363.222 3.967 20 5 FHBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000065535694 934980052 /nfs/dbraw/zinc/98/00/52/934980052.db2.gz XQZAUTGXNOWLLB-GOSISDBHSA-N 1 2 362.813 3.701 20 5 FHBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000065535694 934980054 /nfs/dbraw/zinc/98/00/54/934980054.db2.gz XQZAUTGXNOWLLB-GOSISDBHSA-N 1 2 362.813 3.701 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CC(F)(F)F)CC3)n2)c1 ZINC000551708530 935331287 /nfs/dbraw/zinc/33/12/87/935331287.db2.gz FNORTVNEFOKNHO-UHFFFAOYSA-N 1 2 370.331 3.809 20 5 FHBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451876264 935555569 /nfs/dbraw/zinc/55/55/69/935555569.db2.gz AOTLDODSSSCQHW-NSHDSACASA-N 1 2 365.783 3.564 20 5 FHBDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451876264 935555573 /nfs/dbraw/zinc/55/55/73/935555573.db2.gz AOTLDODSSSCQHW-NSHDSACASA-N 1 2 365.783 3.564 20 5 FHBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2)s1 ZINC000511127283 935721511 /nfs/dbraw/zinc/72/15/11/935721511.db2.gz UPLVYIDWXKAOFU-UHFFFAOYSA-N 1 2 354.435 3.788 20 5 FHBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(-c2ccccc2)s1 ZINC000511127283 935721514 /nfs/dbraw/zinc/72/15/14/935721514.db2.gz UPLVYIDWXKAOFU-UHFFFAOYSA-N 1 2 354.435 3.788 20 5 FHBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cnn(CC2CCC2)c1 ZINC000934560352 935886497 /nfs/dbraw/zinc/88/64/97/935886497.db2.gz WYUXDIWQSGFAJX-LLVKDONJSA-N 1 2 350.369 3.720 20 5 FHBDLO CN(C)c1ccc([NH+]2CCC(Nc3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000078412846 936149697 /nfs/dbraw/zinc/14/96/97/936149697.db2.gz ZAHKBIRJCHGGHE-UHFFFAOYSA-N 1 2 358.417 3.881 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000582866002 936239449 /nfs/dbraw/zinc/23/94/49/936239449.db2.gz QOVXWVMYIODNOF-CYBMUJFWSA-N 1 2 372.322 3.786 20 5 FHBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(F)c1 ZINC000582866002 936239452 /nfs/dbraw/zinc/23/94/52/936239452.db2.gz QOVXWVMYIODNOF-CYBMUJFWSA-N 1 2 372.322 3.786 20 5 FHBDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611790910 938450838 /nfs/dbraw/zinc/45/08/38/938450838.db2.gz AQGAVQVSAZNQKA-UHFFFAOYSA-N 1 2 373.840 3.772 20 5 FHBDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611790910 938450842 /nfs/dbraw/zinc/45/08/42/938450842.db2.gz AQGAVQVSAZNQKA-UHFFFAOYSA-N 1 2 373.840 3.772 20 5 FHBDLO Cc1ccc(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000584439458 938883449 /nfs/dbraw/zinc/88/34/49/938883449.db2.gz WVVCLYWKPZOKIU-UHFFFAOYSA-N 1 2 370.796 3.672 20 5 FHBDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000198529536 938962229 /nfs/dbraw/zinc/96/22/29/938962229.db2.gz WEVJGDSDWYYXOX-QGZVFWFLSA-N 1 2 369.421 3.687 20 5 FHBDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000198529536 938962230 /nfs/dbraw/zinc/96/22/30/938962230.db2.gz WEVJGDSDWYYXOX-QGZVFWFLSA-N 1 2 369.421 3.687 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cs1 ZINC000177153375 939970686 /nfs/dbraw/zinc/97/06/86/939970686.db2.gz WKZXRPGIBJEZMY-INIZCTEOSA-N 1 2 358.419 3.985 20 5 FHBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cs1 ZINC000177153375 939970688 /nfs/dbraw/zinc/97/06/88/939970688.db2.gz WKZXRPGIBJEZMY-INIZCTEOSA-N 1 2 358.419 3.985 20 5 FHBDLO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])cc3OC(F)F)[nH+]c12 ZINC000612785706 940271244 /nfs/dbraw/zinc/27/12/44/940271244.db2.gz FKKNVXHBTMNYEX-UHFFFAOYSA-N 1 2 362.336 3.807 20 5 FHBDLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)c1ccccc1 ZINC000580481496 940476595 /nfs/dbraw/zinc/47/65/95/940476595.db2.gz AZKXZEVHIVATSX-LJQANCHMSA-N 1 2 366.421 3.918 20 5 FHBDLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)c1ccccc1 ZINC000580481496 940476596 /nfs/dbraw/zinc/47/65/96/940476596.db2.gz AZKXZEVHIVATSX-LJQANCHMSA-N 1 2 366.421 3.918 20 5 FHBDLO CC1(C)OCc2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)ccc2O1 ZINC000545298236 940500403 /nfs/dbraw/zinc/50/04/03/940500403.db2.gz ANIRJBIFUFIFBW-UHFFFAOYSA-N 1 2 354.406 3.798 20 5 FHBDLO CC1(C)OCc2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)ccc2O1 ZINC000545298236 940500404 /nfs/dbraw/zinc/50/04/04/940500404.db2.gz ANIRJBIFUFIFBW-UHFFFAOYSA-N 1 2 354.406 3.798 20 5 FHBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000431802119 940606127 /nfs/dbraw/zinc/60/61/27/940606127.db2.gz RDXXQBMDVLXBEC-UHFFFAOYSA-N 1 2 350.378 3.697 20 5 FHBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173366065 940618847 /nfs/dbraw/zinc/61/88/47/940618847.db2.gz MGEKQVWROJIZEH-LBPRGKRZSA-N 1 2 354.366 3.543 20 5 FHBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173366065 940618851 /nfs/dbraw/zinc/61/88/51/940618851.db2.gz MGEKQVWROJIZEH-LBPRGKRZSA-N 1 2 354.366 3.543 20 5 FHBDLO CC(C)([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(F)c(F)c1 ZINC000180873083 941087307 /nfs/dbraw/zinc/08/73/07/941087307.db2.gz WMZJMYLMMKBLAY-UHFFFAOYSA-N 1 2 374.347 3.948 20 5 FHBDLO Cc1cc(C)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000178791238 941304671 /nfs/dbraw/zinc/30/46/71/941304671.db2.gz SALYDDCYERNXBO-UHFFFAOYSA-N 1 2 364.199 3.930 20 5 FHBDLO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2OC)o1)c1cccc([N+](=O)[O-])c1 ZINC000181542780 941548414 /nfs/dbraw/zinc/54/84/14/941548414.db2.gz NFAVPKKTAHANSG-INIZCTEOSA-N 1 2 368.393 3.894 20 5 FHBDLO Cc1cc(NCCNc2cccc[nH+]2)c(Br)cc1[N+](=O)[O-] ZINC000473524829 941763948 /nfs/dbraw/zinc/76/39/48/941763948.db2.gz IPDJANPCNVALQS-UHFFFAOYSA-N 1 2 351.204 3.585 20 5 FHBDLO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182636641 941956553 /nfs/dbraw/zinc/95/65/53/941956553.db2.gz ANEQLPIVYNNFFQ-AWEZNQCLSA-N 1 2 366.421 3.723 20 5 FHBDLO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182636641 941956555 /nfs/dbraw/zinc/95/65/55/941956555.db2.gz ANEQLPIVYNNFFQ-AWEZNQCLSA-N 1 2 366.421 3.723 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000085620957 942027434 /nfs/dbraw/zinc/02/74/34/942027434.db2.gz UKBDONASWXORSB-UHFFFAOYSA-N 1 2 365.393 3.719 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110235738 942204072 /nfs/dbraw/zinc/20/40/72/942204072.db2.gz VUFJJZGBIGJNNQ-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO Cc1cc(CNC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc(C)[nH+]1 ZINC000420844940 942226670 /nfs/dbraw/zinc/22/66/70/942226670.db2.gz HNUIPQHNLNCEQI-GOSISDBHSA-N 1 2 368.437 3.696 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000421426342 942554386 /nfs/dbraw/zinc/55/43/86/942554386.db2.gz DTFDMLZJJHLVLG-UHFFFAOYSA-N 1 2 368.437 3.527 20 5 FHBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000473555010 943424465 /nfs/dbraw/zinc/42/44/65/943424465.db2.gz RLAZCJSYKZJZJP-LSDHHAIUSA-N 1 2 364.405 3.703 20 5 FHBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000473555005 943424623 /nfs/dbraw/zinc/42/46/23/943424623.db2.gz RLAZCJSYKZJZJP-CABCVRRESA-N 1 2 364.405 3.703 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000425458852 943998228 /nfs/dbraw/zinc/99/82/28/943998228.db2.gz NMPHXSNITRNSDH-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000425458852 943998235 /nfs/dbraw/zinc/99/82/35/943998235.db2.gz NMPHXSNITRNSDH-UHFFFAOYSA-N 1 2 362.227 3.917 20 5 FHBDLO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000425466009 944023581 /nfs/dbraw/zinc/02/35/81/944023581.db2.gz BJAKTAIIDGVXHN-UHFFFAOYSA-N 1 2 369.259 3.891 20 5 FHBDLO Cc1ccc([C@@H](C)NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000500085659 944072399 /nfs/dbraw/zinc/07/23/99/944072399.db2.gz HFJLKPQYOCFYKB-OAHLLOKOSA-N 1 2 364.405 3.639 20 5 FHBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(Cc3ccco3)CC2)o1 ZINC000506177543 944349602 /nfs/dbraw/zinc/34/96/02/944349602.db2.gz HRNHDNKYPDNUNY-UHFFFAOYSA-N 1 2 367.405 3.766 20 5 FHBDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])cc1F ZINC000184264075 944370449 /nfs/dbraw/zinc/37/04/49/944370449.db2.gz OWVFPOJSKGWKFI-UHFFFAOYSA-N 1 2 353.419 3.841 20 5 FHBDLO Cc1cn2cc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)ccc2[nH+]1 ZINC000437797862 944500902 /nfs/dbraw/zinc/50/09/02/944500902.db2.gz UAAVUKZGGZKWNZ-UHFFFAOYSA-N 1 2 365.393 3.747 20 5 FHBDLO CCOc1c(Cl)cccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000425993806 944565828 /nfs/dbraw/zinc/56/58/28/944565828.db2.gz DKKQOZNSDWVKNQ-UHFFFAOYSA-N 1 2 360.801 3.813 20 5 FHBDLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053717739 944746379 /nfs/dbraw/zinc/74/63/79/944746379.db2.gz QXWDFVRWMCFMBD-QGZVFWFLSA-N 1 2 373.384 3.518 20 5 FHBDLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000053717739 944746383 /nfs/dbraw/zinc/74/63/83/944746383.db2.gz QXWDFVRWMCFMBD-QGZVFWFLSA-N 1 2 373.384 3.518 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000506807911 945374419 /nfs/dbraw/zinc/37/44/19/945374419.db2.gz WKEDIJCDOMAUSS-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000506807911 945374429 /nfs/dbraw/zinc/37/44/29/945374429.db2.gz WKEDIJCDOMAUSS-UHFFFAOYSA-N 1 2 350.802 3.897 20 5 FHBDLO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000506823052 945404342 /nfs/dbraw/zinc/40/43/42/945404342.db2.gz LPMIQHSVLKOGRZ-UHFFFAOYSA-N 1 2 354.391 3.511 20 5 FHBDLO Cc1sc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1[N+](=O)[O-] ZINC000107181394 945515690 /nfs/dbraw/zinc/51/56/90/945515690.db2.gz DHUWDZVACYLNCR-UHFFFAOYSA-N 1 2 374.466 3.670 20 5 FHBDLO CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001126001864 945548255 /nfs/dbraw/zinc/54/82/55/945548255.db2.gz XCYBFMCXHNPEQN-ZBFHGGJFSA-N 1 2 356.426 3.725 20 5 FHBDLO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000111312265 945909132 /nfs/dbraw/zinc/90/91/32/945909132.db2.gz QDOXSDSFMRMUGC-OAHLLOKOSA-N 1 2 374.466 3.616 20 5 FHBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000111312265 945909136 /nfs/dbraw/zinc/90/91/36/945909136.db2.gz QDOXSDSFMRMUGC-OAHLLOKOSA-N 1 2 374.466 3.616 20 5 FHBDLO CSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000186205776 946619226 /nfs/dbraw/zinc/61/92/26/946619226.db2.gz ULZFMPWZGJRZHZ-UHFFFAOYSA-N 1 2 372.381 3.894 20 5 FHBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000475577116 946736500 /nfs/dbraw/zinc/73/65/00/946736500.db2.gz ZHLXPBPLEDDCEU-UHFFFAOYSA-N 1 2 357.414 3.620 20 5 FHBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000444699736 947124726 /nfs/dbraw/zinc/12/47/26/947124726.db2.gz FPTYGRIRLSTOLH-GFCCVEGCSA-N 1 2 363.364 3.640 20 5 FHBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000444699736 947124732 /nfs/dbraw/zinc/12/47/32/947124732.db2.gz FPTYGRIRLSTOLH-GFCCVEGCSA-N 1 2 363.364 3.640 20 5 FHBDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049974352 947179837 /nfs/dbraw/zinc/17/98/37/947179837.db2.gz JHCZQPZJDCFABY-IFXJQAMLSA-N 1 2 365.389 3.894 20 5 FHBDLO C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ncnn1C ZINC000473988385 947881885 /nfs/dbraw/zinc/88/18/85/947881885.db2.gz UBLJYEBTMJIEQU-LBPRGKRZSA-N 1 2 371.372 3.506 20 5 FHBDLO C[C@@]12CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]1C2(F)F ZINC000839604658 948647639 /nfs/dbraw/zinc/64/76/39/948647639.db2.gz OLIAAAYULRAMAW-WCQYABFASA-N 1 2 361.186 3.834 20 5 FHBDLO C[C@@]12CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]1C2(F)F ZINC000839604658 948647644 /nfs/dbraw/zinc/64/76/44/948647644.db2.gz OLIAAAYULRAMAW-WCQYABFASA-N 1 2 361.186 3.834 20 5 FHBDLO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c(Cl)c1 ZINC000015143243 220148240 /nfs/dbraw/zinc/14/82/40/220148240.db2.gz UIZVBIKSNCHBCU-SFHVURJKSA-N 1 2 361.829 3.734 20 5 FHBDLO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000007725389 568254262 /nfs/dbraw/zinc/25/42/62/568254262.db2.gz KTQQNQVVUZGHND-UHFFFAOYSA-N 1 2 350.378 3.923 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000569384239 568400022 /nfs/dbraw/zinc/40/00/22/568400022.db2.gz ABPRIEPJXKBSEY-UHFFFAOYSA-N 1 2 364.405 3.597 20 5 FHBDLO O=C(Nc1cnc2ccccc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033243217 568471367 /nfs/dbraw/zinc/47/13/67/568471367.db2.gz REFIRLSIZLCXPY-UHFFFAOYSA-N 1 2 359.345 3.581 20 5 FHBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000051855681 568477056 /nfs/dbraw/zinc/47/70/56/568477056.db2.gz JPMYZKOTXYAPDD-UHFFFAOYSA-N 1 2 364.405 3.572 20 5 FHBDLO COc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000274568088 927156358 /nfs/dbraw/zinc/15/63/58/927156358.db2.gz HCUNLQJXWWHFOZ-MRVPVSSYSA-N 1 2 361.345 3.930 20 5 FHBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120241221 927833286 /nfs/dbraw/zinc/83/32/86/927833286.db2.gz OGJJZIITGMMBGU-SFHVURJKSA-N 1 2 363.421 3.760 20 5 FHBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120241221 927833291 /nfs/dbraw/zinc/83/32/91/927833291.db2.gz OGJJZIITGMMBGU-SFHVURJKSA-N 1 2 363.421 3.760 20 5 FHBDLO O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000784933926 928019297 /nfs/dbraw/zinc/01/92/97/928019297.db2.gz FBFINFHVPYIFDB-UHFFFAOYSA-N 1 2 369.402 3.730 20 5 FHBDLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000430284054 929251385 /nfs/dbraw/zinc/25/13/85/929251385.db2.gz KHIAZKJNWJYEMG-LBPRGKRZSA-N 1 2 372.450 3.555 20 5 FHBDLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC000430284054 929251394 /nfs/dbraw/zinc/25/13/94/929251394.db2.gz KHIAZKJNWJYEMG-LBPRGKRZSA-N 1 2 372.450 3.555 20 5 FHBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CCCCC1 ZINC000055599022 930623949 /nfs/dbraw/zinc/62/39/49/930623949.db2.gz RDTWRMMJQOIJDS-KRWDZBQOSA-N 1 2 368.437 3.965 20 5 FHBDLO CC(=O)c1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000557631593 931237282 /nfs/dbraw/zinc/23/72/82/931237282.db2.gz IISDQKDEQMZIEU-ZDUSSCGKSA-N 1 2 359.451 3.742 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933246773 931972369 /nfs/dbraw/zinc/97/23/69/931972369.db2.gz QXOICQZVEHVMDP-CQSZACIVSA-N 1 2 358.291 3.576 20 5 FHBDLO CCCn1nccc1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510578903 933243670 /nfs/dbraw/zinc/24/36/70/933243670.db2.gz LUHIZNZLXWSQPV-UHFFFAOYSA-N 1 2 364.396 3.859 20 5 FHBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582295 933328957 /nfs/dbraw/zinc/32/89/57/933328957.db2.gz BWQLQIPDGYHDLL-RYZVSIALSA-N 1 2 373.434 3.666 20 5 FHBDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582295 933328963 /nfs/dbraw/zinc/32/89/63/933328963.db2.gz BWQLQIPDGYHDLL-RYZVSIALSA-N 1 2 373.434 3.666 20 5 FHBDLO COc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610604866 933513895 /nfs/dbraw/zinc/51/38/95/933513895.db2.gz QDJWXOUKJZUCMU-UWVGGRQHSA-N 1 2 372.265 3.776 20 5 FHBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000510915006 934037578 /nfs/dbraw/zinc/03/75/78/934037578.db2.gz QFMRGBSUVGTOBJ-UHFFFAOYSA-N 1 2 374.466 3.844 20 5 FHBDLO COc1c(O)ccc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000891991446 934812804 /nfs/dbraw/zinc/81/28/04/934812804.db2.gz BZENVHHJVXBLEZ-SNVBAGLBSA-N 1 2 351.428 3.575 20 5 FHBDLO COc1c(O)ccc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c1[N+](=O)[O-] ZINC000891991446 934812813 /nfs/dbraw/zinc/81/28/13/934812813.db2.gz BZENVHHJVXBLEZ-SNVBAGLBSA-N 1 2 351.428 3.575 20 5 FHBDLO COc1ccc(-c2nnc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000539276633 935127307 /nfs/dbraw/zinc/12/73/07/935127307.db2.gz OEZRNHOFKCMNNT-LBPRGKRZSA-N 1 2 354.366 3.504 20 5 FHBDLO COc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC(F)F ZINC000091989566 935211643 /nfs/dbraw/zinc/21/16/43/935211643.db2.gz LVEBFACJVSHJRF-NSHDSACASA-N 1 2 367.352 3.793 20 5 FHBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1OC(F)F ZINC000091989566 935211645 /nfs/dbraw/zinc/21/16/45/935211645.db2.gz LVEBFACJVSHJRF-NSHDSACASA-N 1 2 367.352 3.793 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000072077333 935286776 /nfs/dbraw/zinc/28/67/76/935286776.db2.gz ZKLILACDZOEOGG-UHFFFAOYSA-N 1 2 356.769 3.995 20 5 FHBDLO COC(=O)c1cccc(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511127760 935717786 /nfs/dbraw/zinc/71/77/86/935717786.db2.gz XAALFIRRTGYFAS-UHFFFAOYSA-N 1 2 362.813 3.709 20 5 FHBDLO COC(=O)c1cccc(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511127760 935717788 /nfs/dbraw/zinc/71/77/88/935717788.db2.gz XAALFIRRTGYFAS-UHFFFAOYSA-N 1 2 362.813 3.709 20 5 FHBDLO COc1cc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000611521148 935976602 /nfs/dbraw/zinc/97/66/02/935976602.db2.gz GUVDNHSYTAUVGU-UHFFFAOYSA-N 1 2 354.406 3.944 20 5 FHBDLO COc1cc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000611521148 935976605 /nfs/dbraw/zinc/97/66/05/935976605.db2.gz GUVDNHSYTAUVGU-UHFFFAOYSA-N 1 2 354.406 3.944 20 5 FHBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406708 945157723 /nfs/dbraw/zinc/15/77/23/945157723.db2.gz WJLVRTDDLNEKBR-LBPRGKRZSA-N 1 2 356.357 3.977 20 5 FHBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406708 945157726 /nfs/dbraw/zinc/15/77/26/945157726.db2.gz WJLVRTDDLNEKBR-LBPRGKRZSA-N 1 2 356.357 3.977 20 5 FHBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cccc2ncccc21 ZINC001267368462 938829003 /nfs/dbraw/zinc/82/90/03/938829003.db2.gz PAFKFQMUZLJKPE-UHFFFAOYSA-N 1 2 373.372 3.605 20 5 FHBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000092547443 938919637 /nfs/dbraw/zinc/91/96/37/938919637.db2.gz MQGJHVGHKXESTD-UHFFFAOYSA-N 1 2 350.334 3.691 20 5 FHBDLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611938875 938993452 /nfs/dbraw/zinc/99/34/52/938993452.db2.gz ASWMUDSAUAIFSL-QWHCGFSZSA-N 1 2 353.382 3.760 20 5 FHBDLO O=C(Nc1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001125760475 939000772 /nfs/dbraw/zinc/00/07/72/939000772.db2.gz VKENMKMOMMRDPR-UHFFFAOYSA-N 1 2 360.732 3.825 20 5 FHBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065729635 939017465 /nfs/dbraw/zinc/01/74/65/939017465.db2.gz PRDRMCFOFOVXKY-UHFFFAOYSA-N 1 2 365.324 3.653 20 5 FHBDLO Cc1ccc2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)c2n1 ZINC000066462881 940495064 /nfs/dbraw/zinc/49/50/64/940495064.db2.gz XOJJNNLNRBVFSA-UHFFFAOYSA-N 1 2 373.372 3.889 20 5 FHBDLO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180465748 941023975 /nfs/dbraw/zinc/02/39/75/941023975.db2.gz CUGDKMBJCVJKBL-UHFFFAOYSA-N 1 2 353.378 3.664 20 5 FHBDLO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC000180465748 941023978 /nfs/dbraw/zinc/02/39/78/941023978.db2.gz CUGDKMBJCVJKBL-UHFFFAOYSA-N 1 2 353.378 3.664 20 5 FHBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000176726060 941073952 /nfs/dbraw/zinc/07/39/52/941073952.db2.gz VZSIXRFNKOPNAO-UHFFFAOYSA-N 1 2 356.426 3.821 20 5 FHBDLO CCn1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000414478821 941322889 /nfs/dbraw/zinc/32/28/89/941322889.db2.gz HBJRTKNDYJWOPZ-UHFFFAOYSA-N 1 2 365.437 3.869 20 5 FHBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000729339893 941723258 /nfs/dbraw/zinc/72/32/58/941723258.db2.gz DTLYESKHENEXQP-INIZCTEOSA-N 1 2 372.450 3.851 20 5 FHBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000473527967 941941133 /nfs/dbraw/zinc/94/11/33/941941133.db2.gz TWVXIWAWSIPDTD-UHFFFAOYSA-N 1 2 363.352 3.502 20 5 FHBDLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636944 942339280 /nfs/dbraw/zinc/33/92/80/942339280.db2.gz AUCIJIADIOJFCM-WDEREUQCSA-N 1 2 370.247 3.559 20 5 FHBDLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330636944 942339282 /nfs/dbraw/zinc/33/92/82/942339282.db2.gz AUCIJIADIOJFCM-WDEREUQCSA-N 1 2 370.247 3.559 20 5 FHBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)no1 ZINC000366455665 942350160 /nfs/dbraw/zinc/35/01/60/942350160.db2.gz YZQHZFGCUKBDBD-LBPRGKRZSA-N 1 2 370.331 3.685 20 5 FHBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)no1 ZINC000366455665 942350161 /nfs/dbraw/zinc/35/01/61/942350161.db2.gz YZQHZFGCUKBDBD-LBPRGKRZSA-N 1 2 370.331 3.685 20 5 FHBDLO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413212434 942487356 /nfs/dbraw/zinc/48/73/56/942487356.db2.gz YSKZOARHPCJHPV-HUUCEWRRSA-N 1 2 368.771 3.779 20 5 FHBDLO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000413212434 942487360 /nfs/dbraw/zinc/48/73/60/942487360.db2.gz YSKZOARHPCJHPV-HUUCEWRRSA-N 1 2 368.771 3.779 20 5 FHBDLO Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421576392 942668126 /nfs/dbraw/zinc/66/81/26/942668126.db2.gz MEUWSKHMWGSDKX-UHFFFAOYSA-N 1 2 353.300 3.555 20 5 FHBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421886841 942865694 /nfs/dbraw/zinc/86/56/94/942865694.db2.gz HGWAWCGJGUIUCZ-UHFFFAOYSA-N 1 2 358.442 3.523 20 5 FHBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cccnc1OCC(F)F ZINC000893254923 942916241 /nfs/dbraw/zinc/91/62/41/942916241.db2.gz DTCPEURUBBLPFT-UHFFFAOYSA-N 1 2 357.744 3.577 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)CCCC2 ZINC000417324545 943515616 /nfs/dbraw/zinc/51/56/16/943515616.db2.gz AJKVMSLLHWHLAS-OAHLLOKOSA-N 1 2 366.343 3.961 20 5 FHBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425417385 943871745 /nfs/dbraw/zinc/87/17/45/943871745.db2.gz HQYYKPLCKHFOBK-NSHDSACASA-N 1 2 350.216 3.945 20 5 FHBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425417385 943871749 /nfs/dbraw/zinc/87/17/49/943871749.db2.gz HQYYKPLCKHFOBK-NSHDSACASA-N 1 2 350.216 3.945 20 5 FHBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)n1 ZINC000425971182 944455593 /nfs/dbraw/zinc/45/55/93/944455593.db2.gz NFHAXJYWONKMQO-UHFFFAOYSA-N 1 2 361.254 3.997 20 5 FHBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000162674139 944477968 /nfs/dbraw/zinc/47/79/68/944477968.db2.gz QFUJHVHKPANKRG-CYBMUJFWSA-N 1 2 373.438 3.572 20 5 FHBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000162674139 944477970 /nfs/dbraw/zinc/47/79/70/944477970.db2.gz QFUJHVHKPANKRG-CYBMUJFWSA-N 1 2 373.438 3.572 20 5 FHBDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000894771758 944568994 /nfs/dbraw/zinc/56/89/94/944568994.db2.gz UVOCTRZUPOARPN-ZDUSSCGKSA-N 1 2 366.425 3.640 20 5 FHBDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511876917 945503143 /nfs/dbraw/zinc/50/31/43/945503143.db2.gz XWTLMKUITDCPOA-HNNXBMFYSA-N 1 2 355.438 3.596 20 5 FHBDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511876917 945503147 /nfs/dbraw/zinc/50/31/47/945503147.db2.gz XWTLMKUITDCPOA-HNNXBMFYSA-N 1 2 355.438 3.596 20 5 FHBDLO COc1cc(C[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000519846134 945816573 /nfs/dbraw/zinc/81/65/73/945816573.db2.gz KAPNSCVYYZWNAN-UHFFFAOYSA-N 1 2 368.336 3.746 20 5 FHBDLO COc1cc(C[N@H+]2CCCc3occc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000519846134 945816583 /nfs/dbraw/zinc/81/65/83/945816583.db2.gz KAPNSCVYYZWNAN-UHFFFAOYSA-N 1 2 368.336 3.746 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)c1 ZINC000121239926 946102275 /nfs/dbraw/zinc/10/22/75/946102275.db2.gz PPTRQCPRLZYJEV-HNNXBMFYSA-N 1 2 352.394 3.958 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](c4ccn[nH]4)C3)o2)c1 ZINC000121239926 946102280 /nfs/dbraw/zinc/10/22/80/946102280.db2.gz PPTRQCPRLZYJEV-HNNXBMFYSA-N 1 2 352.394 3.958 20 5 FHBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(Br)cn1 ZINC000475509795 946520197 /nfs/dbraw/zinc/52/01/97/946520197.db2.gz MXGQUABLNBRTRT-VIFPVBQESA-N 1 2 354.179 3.742 20 5 FHBDLO Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000444445202 946804006 /nfs/dbraw/zinc/80/40/06/946804006.db2.gz BZNKJMUXKHGODX-UHFFFAOYSA-N 1 2 361.361 3.823 20 5 FHBDLO Cc1nc(CN2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)cs1 ZINC000182616329 946940427 /nfs/dbraw/zinc/94/04/27/946940427.db2.gz GFVOILKVDIXALB-CQSZACIVSA-N 1 2 360.483 3.547 20 5 FHBDLO CC(=O)N1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12CCCCC2 ZINC000783571975 946994325 /nfs/dbraw/zinc/99/43/25/946994325.db2.gz WOWIACATTOMBHJ-UHFFFAOYSA-N 1 2 365.861 3.615 20 5 FHBDLO CC(=O)N1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12CCCCC2 ZINC000783571975 946994333 /nfs/dbraw/zinc/99/43/33/946994333.db2.gz WOWIACATTOMBHJ-UHFFFAOYSA-N 1 2 365.861 3.615 20 5 FHBDLO COc1cccc(C2=CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444625836 947056756 /nfs/dbraw/zinc/05/67/56/947056756.db2.gz KPOSJPPGODQBQZ-UHFFFAOYSA-N 1 2 364.405 3.769 20 5 FHBDLO COc1cccc(C2=CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444625836 947056765 /nfs/dbraw/zinc/05/67/65/947056765.db2.gz KPOSJPPGODQBQZ-UHFFFAOYSA-N 1 2 364.405 3.769 20 5 FHBDLO CC(C)[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC12CCCC2 ZINC000457173824 947390379 /nfs/dbraw/zinc/39/03/79/947390379.db2.gz ROVWKXAQRUXKGP-SFHVURJKSA-N 1 2 368.437 3.821 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000093920784 947527060 /nfs/dbraw/zinc/52/70/60/947527060.db2.gz YYCOZRGLKOIFSO-UHFFFAOYSA-N 1 2 350.378 3.958 20 5 FHBDLO Cc1ccccc1[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000441454449 947536847 /nfs/dbraw/zinc/53/68/47/947536847.db2.gz SSARTGNJSQMQOW-UZLBHIALSA-N 1 2 356.422 3.744 20 5 FHBDLO Cc1ccccc1[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000441454449 947536857 /nfs/dbraw/zinc/53/68/57/947536857.db2.gz SSARTGNJSQMQOW-UZLBHIALSA-N 1 2 356.422 3.744 20 5 FHBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278868929 947881729 /nfs/dbraw/zinc/88/17/29/947881729.db2.gz NKUQPXUBIDLEMF-UHFFFAOYSA-N 1 2 369.425 3.539 20 5 FHBDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000441480284 947897819 /nfs/dbraw/zinc/89/78/19/947897819.db2.gz XWONVFIRKLYCSZ-LJQANCHMSA-N 1 2 364.405 3.579 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000520543315 948258214 /nfs/dbraw/zinc/25/82/14/948258214.db2.gz BUNJFKGOSGHMQW-OAHLLOKOSA-N 1 2 369.421 3.549 20 5 FHBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000585753967 948264138 /nfs/dbraw/zinc/26/41/38/948264138.db2.gz XBTMWWFTYPUMIA-AWEZNQCLSA-N 1 2 352.394 3.880 20 5 FHBDLO C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000585753967 948264145 /nfs/dbraw/zinc/26/41/45/948264145.db2.gz XBTMWWFTYPUMIA-AWEZNQCLSA-N 1 2 352.394 3.880 20 5 FHBDLO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000585808434 948329341 /nfs/dbraw/zinc/32/93/41/948329341.db2.gz HBNIGSNLPXSOFL-OAHLLOKOSA-N 1 2 371.441 3.958 20 5 FHBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccccc3OC3CCC3)nc2c1 ZINC000602548432 567990387 /nfs/dbraw/zinc/99/03/87/567990387.db2.gz ZFJLIDJIYXWYBJ-UHFFFAOYSA-N 1 2 353.378 3.957 20 5 FHBDLO CCCc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000481888355 568153479 /nfs/dbraw/zinc/15/34/79/568153479.db2.gz FLWYJDIMZHJPQC-UHFFFAOYSA-N 1 2 373.478 3.567 20 5 FHBDLO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc[nH+]1 ZINC000481898771 568164506 /nfs/dbraw/zinc/16/45/06/568164506.db2.gz HEJGKAUHXQNZAL-UHFFFAOYSA-N 1 2 374.466 3.580 20 5 FHBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000481995557 568221706 /nfs/dbraw/zinc/22/17/06/568221706.db2.gz YUDVEVJJVOSSNW-CQSZACIVSA-N 1 2 360.845 3.835 20 5 FHBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000032831953 568410200 /nfs/dbraw/zinc/41/02/00/568410200.db2.gz LMICTXUJPWAKPF-UHFFFAOYSA-N 1 2 365.355 3.936 20 5 FHBDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000570232811 568463874 /nfs/dbraw/zinc/46/38/74/568463874.db2.gz PJOSOPBNVBTTTI-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000430205809 928041592 /nfs/dbraw/zinc/04/15/92/928041592.db2.gz JWQUUKBQPQQHHB-UHFFFAOYSA-N 1 2 354.410 3.515 20 5 FHBDLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213192 928162638 /nfs/dbraw/zinc/16/26/38/928162638.db2.gz AWPFVSSAOHDXFF-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213192 928162643 /nfs/dbraw/zinc/16/26/43/928162643.db2.gz AWPFVSSAOHDXFF-UHFFFAOYSA-N 1 2 360.410 3.643 20 5 FHBDLO Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302004853 928209291 /nfs/dbraw/zinc/20/92/91/928209291.db2.gz KPQPTYCMYOONCE-UGSOOPFHSA-N 1 2 351.410 3.735 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000430244340 928461493 /nfs/dbraw/zinc/46/14/93/928461493.db2.gz PCZVCZCFKBJECQ-SHZVTRLKSA-N 1 2 362.451 3.534 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000430244340 928461498 /nfs/dbraw/zinc/46/14/98/928461498.db2.gz PCZVCZCFKBJECQ-SHZVTRLKSA-N 1 2 362.451 3.534 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000430244339 928461850 /nfs/dbraw/zinc/46/18/50/928461850.db2.gz PCZVCZCFKBJECQ-CANCMXDXSA-N 1 2 362.451 3.534 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000430244339 928461855 /nfs/dbraw/zinc/46/18/55/928461855.db2.gz PCZVCZCFKBJECQ-CANCMXDXSA-N 1 2 362.451 3.534 20 5 FHBDLO CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000610038415 929886592 /nfs/dbraw/zinc/88/65/92/929886592.db2.gz RVNRFXHPQLCJEM-UHFFFAOYSA-N 1 2 350.378 3.697 20 5 FHBDLO CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000177808899 931045994 /nfs/dbraw/zinc/04/59/94/931045994.db2.gz BOFBXVAHIDRHKZ-SFHVURJKSA-N 1 2 350.378 3.662 20 5 FHBDLO CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000177808912 931046308 /nfs/dbraw/zinc/04/63/08/931046308.db2.gz BOFBXVAHIDRHKZ-GOSISDBHSA-N 1 2 350.378 3.662 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510520772 933177160 /nfs/dbraw/zinc/17/71/60/933177160.db2.gz LKANPJWLENEDDT-LJQANCHMSA-N 1 2 367.449 3.781 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000510520772 933177162 /nfs/dbraw/zinc/17/71/62/933177162.db2.gz LKANPJWLENEDDT-LJQANCHMSA-N 1 2 367.449 3.781 20 5 FHBDLO C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000510542811 933206612 /nfs/dbraw/zinc/20/66/12/933206612.db2.gz CEOOARAZGYKEMU-LSDHHAIUSA-N 1 2 356.426 3.727 20 5 FHBDLO COc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000610604865 933514180 /nfs/dbraw/zinc/51/41/80/933514180.db2.gz QDJWXOUKJZUCMU-NXEZZACHSA-N 1 2 372.265 3.776 20 5 FHBDLO CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c2ccccc21 ZINC000610708976 933875960 /nfs/dbraw/zinc/87/59/60/933875960.db2.gz FWGXKFRUUGMMIW-UHFFFAOYSA-N 1 2 362.389 3.719 20 5 FHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610763308 934122217 /nfs/dbraw/zinc/12/22/17/934122217.db2.gz DOKYNAJNVWSSKE-ZDUSSCGKSA-N 1 2 352.406 3.678 20 5 FHBDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610763308 934122220 /nfs/dbraw/zinc/12/22/20/934122220.db2.gz DOKYNAJNVWSSKE-ZDUSSCGKSA-N 1 2 352.406 3.678 20 5 FHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610846801 934514979 /nfs/dbraw/zinc/51/49/79/934514979.db2.gz JCGSBCRWHRVZBU-UHFFFAOYSA-N 1 2 366.421 3.858 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000539354266 935184944 /nfs/dbraw/zinc/18/49/44/935184944.db2.gz NVUCRHTUWGNQAK-UHFFFAOYSA-N 1 2 362.455 3.502 20 5 FHBDLO CCC(=O)c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000479395419 935835059 /nfs/dbraw/zinc/83/50/59/935835059.db2.gz NQAYIKAQAOERTH-UHFFFAOYSA-N 1 2 354.410 3.663 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000519115172 945137370 /nfs/dbraw/zinc/13/73/70/945137370.db2.gz LVSMVOFPGQCLEC-CLCXKQKWSA-N 1 2 353.422 3.923 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000519115172 945137377 /nfs/dbraw/zinc/13/73/77/945137377.db2.gz LVSMVOFPGQCLEC-CLCXKQKWSA-N 1 2 353.422 3.923 20 5 FHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135603785 936023576 /nfs/dbraw/zinc/02/35/76/936023576.db2.gz JPLIFZAZAQVGAM-QGZVFWFLSA-N 1 2 358.442 3.625 20 5 FHBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135603785 936023579 /nfs/dbraw/zinc/02/35/79/936023579.db2.gz JPLIFZAZAQVGAM-QGZVFWFLSA-N 1 2 358.442 3.625 20 5 FHBDLO FC1(F)C[NH2+]CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001211582708 938265293 /nfs/dbraw/zinc/26/52/93/938265293.db2.gz KOIWYLNRVILQLM-CYBMUJFWSA-N 1 2 367.359 3.545 20 5 FHBDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599764 938481128 /nfs/dbraw/zinc/48/11/28/938481128.db2.gz CPYHZCGTOBVIBO-YOEHRIQHSA-N 1 2 373.478 3.840 20 5 FHBDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599764 938481129 /nfs/dbraw/zinc/48/11/29/938481129.db2.gz CPYHZCGTOBVIBO-YOEHRIQHSA-N 1 2 373.478 3.840 20 5 FHBDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599762 938481221 /nfs/dbraw/zinc/48/12/21/938481221.db2.gz CPYHZCGTOBVIBO-RHSMWYFYSA-N 1 2 373.478 3.840 20 5 FHBDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599762 938481222 /nfs/dbraw/zinc/48/12/22/938481222.db2.gz CPYHZCGTOBVIBO-RHSMWYFYSA-N 1 2 373.478 3.840 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536181078 938520488 /nfs/dbraw/zinc/52/04/88/938520488.db2.gz UCHGVIPPLSTKBE-CQSZACIVSA-N 1 2 353.422 3.715 20 5 FHBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000536181078 938520491 /nfs/dbraw/zinc/52/04/91/938520491.db2.gz UCHGVIPPLSTKBE-CQSZACIVSA-N 1 2 353.422 3.715 20 5 FHBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000472336820 938994705 /nfs/dbraw/zinc/99/47/05/938994705.db2.gz OCBJDELNGCUIPC-BFUOFWGJSA-N 1 2 357.385 3.756 20 5 FHBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1c1cccc(F)c1 ZINC000472336820 938994706 /nfs/dbraw/zinc/99/47/06/938994706.db2.gz OCBJDELNGCUIPC-BFUOFWGJSA-N 1 2 357.385 3.756 20 5 FHBDLO CSc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000179520155 939876501 /nfs/dbraw/zinc/87/65/01/939876501.db2.gz COUMQXKZGCPLIP-UHFFFAOYSA-N 1 2 371.462 3.920 20 5 FHBDLO CSc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000179520155 939876510 /nfs/dbraw/zinc/87/65/10/939876510.db2.gz COUMQXKZGCPLIP-UHFFFAOYSA-N 1 2 371.462 3.920 20 5 FHBDLO C[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788441 939934650 /nfs/dbraw/zinc/93/46/50/939934650.db2.gz CJNIBMVTPXHNOZ-UHFFFAOYSA-N 1 2 357.801 3.665 20 5 FHBDLO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788441 939934652 /nfs/dbraw/zinc/93/46/52/939934652.db2.gz CJNIBMVTPXHNOZ-UHFFFAOYSA-N 1 2 357.801 3.665 20 5 FHBDLO COc1ccc(OCC[NH+](Cc2ccco2)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000173441757 940623525 /nfs/dbraw/zinc/62/35/25/940623525.db2.gz HTIBNFDQYFCQHQ-UHFFFAOYSA-N 1 2 372.377 3.871 20 5 FHBDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000480670310 940701853 /nfs/dbraw/zinc/70/18/53/940701853.db2.gz DFVKNXPFGLKRSP-BFUOFWGJSA-N 1 2 354.385 3.908 20 5 FHBDLO CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC000582596351 940754053 /nfs/dbraw/zinc/75/40/53/940754053.db2.gz IJWUUYBOGORHCE-IINYFYTJSA-N 1 2 365.231 3.949 20 5 FHBDLO COc1ccc(F)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000189208103 941153248 /nfs/dbraw/zinc/15/32/48/941153248.db2.gz NLEOOKVKZHYVKV-UHFFFAOYSA-N 1 2 356.300 3.634 20 5 FHBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000101821310 942017643 /nfs/dbraw/zinc/01/76/43/942017643.db2.gz HVWFHCKTWWZXPQ-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO CC[C@H]([NH2+]Cc1nnc(-c2ccncc2F)s1)c1cccc([N+](=O)[O-])c1 ZINC000366825044 942424654 /nfs/dbraw/zinc/42/46/54/942424654.db2.gz JZNOWTPWDQYYBG-HNNXBMFYSA-N 1 2 373.413 3.888 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434496371 942722655 /nfs/dbraw/zinc/72/26/55/942722655.db2.gz HTYLCVBOCJMGJT-HNNXBMFYSA-N 1 2 371.412 3.883 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378463573 942801122 /nfs/dbraw/zinc/80/11/22/942801122.db2.gz RESUANFYVLFBKJ-UHFFFAOYSA-N 1 2 374.466 3.838 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378463573 942801124 /nfs/dbraw/zinc/80/11/24/942801124.db2.gz RESUANFYVLFBKJ-UHFFFAOYSA-N 1 2 374.466 3.838 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160213 942834310 /nfs/dbraw/zinc/83/43/10/942834310.db2.gz NZWIVKWZLAYMAS-FZMZJTMJSA-N 1 2 373.375 3.832 20 5 FHBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190160213 942834316 /nfs/dbraw/zinc/83/43/16/942834316.db2.gz NZWIVKWZLAYMAS-FZMZJTMJSA-N 1 2 373.375 3.832 20 5 FHBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC)cc1OC ZINC000434835364 942993737 /nfs/dbraw/zinc/99/37/37/942993737.db2.gz BEPDLYHVPXCECU-UHFFFAOYSA-N 1 2 371.393 3.775 20 5 FHBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC)cc1OC ZINC000434835364 942993741 /nfs/dbraw/zinc/99/37/41/942993741.db2.gz BEPDLYHVPXCECU-UHFFFAOYSA-N 1 2 371.393 3.775 20 5 FHBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000503190391 943050792 /nfs/dbraw/zinc/05/07/92/943050792.db2.gz QDDMATXSDRCYMW-HOTGVXAUSA-N 1 2 355.438 3.807 20 5 FHBDLO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000503190391 943050800 /nfs/dbraw/zinc/05/08/00/943050800.db2.gz QDDMATXSDRCYMW-HOTGVXAUSA-N 1 2 355.438 3.807 20 5 FHBDLO COc1cc2c(c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)c1)O[C@H](C)C2 ZINC000183809520 943221880 /nfs/dbraw/zinc/22/18/80/943221880.db2.gz UISBITDCAXWKHU-LLVKDONJSA-N 1 2 362.813 3.870 20 5 FHBDLO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000505633154 943256953 /nfs/dbraw/zinc/25/69/53/943256953.db2.gz GMYZUTGTLYJKHV-UHFFFAOYSA-N 1 2 363.820 3.705 20 5 FHBDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000425365834 943371466 /nfs/dbraw/zinc/37/14/66/943371466.db2.gz NFXHFFLGBNHYMF-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000425365834 943371475 /nfs/dbraw/zinc/37/14/75/943371475.db2.gz NFXHFFLGBNHYMF-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1ccc(N3CCOCC3)c[nH+]1)CCCC2 ZINC000417311024 943507934 /nfs/dbraw/zinc/50/79/34/943507934.db2.gz NFIJQQXQDGPKDZ-IBGZPJMESA-N 1 2 368.437 3.706 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CCCC2 ZINC000417358075 943538802 /nfs/dbraw/zinc/53/88/02/943538802.db2.gz HMTRAVNPGHTRAI-CQSZACIVSA-N 1 2 366.343 3.961 20 5 FHBDLO C[NH+](C)[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1cccc(Cl)c1 ZINC000504252765 943563757 /nfs/dbraw/zinc/56/37/57/943563757.db2.gz KEUVPSLYSRHHCN-OAHLLOKOSA-N 1 2 358.785 3.949 20 5 FHBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000424208445 943788775 /nfs/dbraw/zinc/78/87/75/943788775.db2.gz ZPQKRGALRYBUNO-LLVKDONJSA-N 1 2 363.439 3.812 20 5 FHBDLO Cc1ccc(F)c(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000436087051 944004908 /nfs/dbraw/zinc/00/49/08/944004908.db2.gz JTQHHFVNHMSVRB-UHFFFAOYSA-N 1 2 368.368 3.500 20 5 FHBDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc([N+](=O)[O-])o1 ZINC000436171276 944074305 /nfs/dbraw/zinc/07/43/05/944074305.db2.gz NPIIJQJOHGRWLE-UHFFFAOYSA-N 1 2 352.350 3.640 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1F ZINC000184222225 944262939 /nfs/dbraw/zinc/26/29/39/944262939.db2.gz RYSQZWKPLUYDQM-UHFFFAOYSA-N 1 2 373.428 3.975 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c([N+](=O)[O-])cc1F ZINC000184222225 944262949 /nfs/dbraw/zinc/26/29/49/944262949.db2.gz RYSQZWKPLUYDQM-UHFFFAOYSA-N 1 2 373.428 3.975 20 5 FHBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C4CC4)CC3)o2)c(Cl)c1 ZINC000506479456 944310738 /nfs/dbraw/zinc/31/07/38/944310738.db2.gz XLRZGSMPKSFHEJ-UHFFFAOYSA-N 1 2 361.829 3.788 20 5 FHBDLO O=C(C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825852 944336730 /nfs/dbraw/zinc/33/67/30/944336730.db2.gz OAOHPPOFEUBDTK-QOHRORDFSA-N 1 2 351.406 3.711 20 5 FHBDLO O=C(C[N@H+]1CCC[C@H]1/C=C\c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000505825852 944336735 /nfs/dbraw/zinc/33/67/35/944336735.db2.gz OAOHPPOFEUBDTK-QOHRORDFSA-N 1 2 351.406 3.711 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025054503 944475033 /nfs/dbraw/zinc/47/50/33/944475033.db2.gz ZCOPWSJVETWGQG-UHFFFAOYSA-N 1 2 354.406 3.698 20 5 FHBDLO COc1cc(C[N@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000506602006 944719635 /nfs/dbraw/zinc/71/96/35/944719635.db2.gz UELNJMWROBMPOT-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO COc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000506602006 944719644 /nfs/dbraw/zinc/71/96/44/944719644.db2.gz UELNJMWROBMPOT-UHFFFAOYSA-N 1 2 360.385 3.916 20 5 FHBDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000107325458 945550617 /nfs/dbraw/zinc/55/06/17/945550617.db2.gz LAJAOLRUKRNWRA-UHFFFAOYSA-N 1 2 369.425 3.692 20 5 FHBDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128486691 945565310 /nfs/dbraw/zinc/56/53/10/945565310.db2.gz BAGIKDOVUZGRBY-JTQLQIEISA-N 1 2 351.790 3.609 20 5 FHBDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000128486691 945565313 /nfs/dbraw/zinc/56/53/13/945565313.db2.gz BAGIKDOVUZGRBY-JTQLQIEISA-N 1 2 351.790 3.609 20 5 FHBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000549536738 945873557 /nfs/dbraw/zinc/87/35/57/945873557.db2.gz WZBIMMPPXZZONP-IBGZPJMESA-N 1 2 358.394 3.559 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000018939006 946299854 /nfs/dbraw/zinc/29/98/54/946299854.db2.gz SREDEFMOKVOOBB-JTQLQIEISA-N 1 2 353.831 3.769 20 5 FHBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000018939006 946299862 /nfs/dbraw/zinc/29/98/62/946299862.db2.gz SREDEFMOKVOOBB-JTQLQIEISA-N 1 2 353.831 3.769 20 5 FHBDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000186145095 946516618 /nfs/dbraw/zinc/51/66/18/946516618.db2.gz SMNXDAMEAFIQHJ-HNNXBMFYSA-N 1 2 364.373 3.819 20 5 FHBDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(F)cc2[N+](=O)[O-])o1 ZINC000186145095 946516630 /nfs/dbraw/zinc/51/66/30/946516630.db2.gz SMNXDAMEAFIQHJ-HNNXBMFYSA-N 1 2 364.373 3.819 20 5 FHBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H](CCO)c2ccco2)c2ccccc2)c1 ZINC000186555422 946550839 /nfs/dbraw/zinc/55/08/39/946550839.db2.gz WLBFKOJPMWUXPS-QUCCMNQESA-N 1 2 352.390 3.991 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000020954564 946775094 /nfs/dbraw/zinc/77/50/94/946775094.db2.gz IURCSCNJACSIKW-MRXNPFEDSA-N 1 2 362.451 3.846 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000020954564 946775088 /nfs/dbraw/zinc/77/50/88/946775088.db2.gz IURCSCNJACSIKW-MRXNPFEDSA-N 1 2 362.451 3.846 20 5 FHBDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000184471552 946821793 /nfs/dbraw/zinc/82/17/93/946821793.db2.gz CLBAFRBYJHFFDT-CYBMUJFWSA-N 1 2 354.834 3.802 20 5 FHBDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000184471552 946821798 /nfs/dbraw/zinc/82/17/98/946821798.db2.gz CLBAFRBYJHFFDT-CYBMUJFWSA-N 1 2 354.834 3.802 20 5 FHBDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049974355 947179692 /nfs/dbraw/zinc/17/96/92/947179692.db2.gz JHCZQPZJDCFABY-AUUYWEPGSA-N 1 2 365.389 3.894 20 5 FHBDLO CC(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1[N+](=O)[O-] ZINC000895070654 948019362 /nfs/dbraw/zinc/01/93/62/948019362.db2.gz HPLVJZCUNOSSDY-UHFFFAOYSA-N 1 2 370.453 3.505 20 5 FHBDLO CC(C)c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1[N+](=O)[O-] ZINC000895070654 948019371 /nfs/dbraw/zinc/01/93/71/948019371.db2.gz HPLVJZCUNOSSDY-UHFFFAOYSA-N 1 2 370.453 3.505 20 5 FHBDLO O=[N+]([O-])c1c(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc2ccccn21 ZINC000022318157 220383081 /nfs/dbraw/zinc/38/30/81/220383081.db2.gz GBZRVXRSWCXLPX-UHFFFAOYSA-N 1 2 362.393 3.503 20 5 FHBDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000072034418 221398099 /nfs/dbraw/zinc/39/80/99/221398099.db2.gz DABVXJPHROKVTP-SFHVURJKSA-N 1 2 371.462 3.632 20 5 FHBDLO Cc1cc(C)cc(OC[C@H](O)Cn2cc[nH+]c2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000051451926 567958622 /nfs/dbraw/zinc/95/86/22/567958622.db2.gz VGUOXCOUFBAROZ-GOSISDBHSA-N 1 2 367.405 3.515 20 5 FHBDLO C[C@](CO)([NH2+]Cc1csc(C2CCCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000602965776 568024415 /nfs/dbraw/zinc/02/44/15/568024415.db2.gz NUXKVOZDNXHTFO-GOSISDBHSA-N 1 2 361.467 3.706 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000541935314 568259095 /nfs/dbraw/zinc/25/90/95/568259095.db2.gz NWAHKAOKNAMYAI-UHFFFAOYSA-N 1 2 351.410 3.658 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(F)c1 ZINC000302006973 568301102 /nfs/dbraw/zinc/30/11/02/568301102.db2.gz AMLURSPBEOBPOF-UHFFFAOYSA-N 1 2 366.396 3.736 20 5 FHBDLO Cc1c(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000048935526 568345399 /nfs/dbraw/zinc/34/53/99/568345399.db2.gz UHMDGFUYSBNYQH-UHFFFAOYSA-N 1 2 368.437 3.609 20 5 FHBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000570236905 568465041 /nfs/dbraw/zinc/46/50/41/568465041.db2.gz BQJYHPJSXNOTHZ-UHFFFAOYSA-N 1 2 354.450 3.738 20 5 FHBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C12CC3CC(CC(C3)C1)C2 ZINC000570236905 568465042 /nfs/dbraw/zinc/46/50/42/568465042.db2.gz BQJYHPJSXNOTHZ-UHFFFAOYSA-N 1 2 354.450 3.738 20 5 FHBDLO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1F ZINC000182023139 568469374 /nfs/dbraw/zinc/46/93/74/568469374.db2.gz NEVFPYYCXVYQAY-NSHDSACASA-N 1 2 372.356 3.643 20 5 FHBDLO CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C ZINC001266245630 927047089 /nfs/dbraw/zinc/04/70/89/927047089.db2.gz SGYFAOONBPOSLL-UHFFFAOYSA-N 1 2 364.361 3.544 20 5 FHBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000430244716 928457937 /nfs/dbraw/zinc/45/79/37/928457937.db2.gz YSGKMRDJJWCNGN-SNVBAGLBSA-N 1 2 366.215 3.612 20 5 FHBDLO CC(C)c1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000187224159 929614229 /nfs/dbraw/zinc/61/42/29/929614229.db2.gz IJZJWGWPPSCSCT-UHFFFAOYSA-N 1 2 368.437 3.512 20 5 FHBDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)C1 ZINC000749479332 930422776 /nfs/dbraw/zinc/42/27/76/930422776.db2.gz BDRLPLDNFZQXAP-CQSZACIVSA-N 1 2 367.471 3.630 20 5 FHBDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)C1 ZINC000749479332 930422782 /nfs/dbraw/zinc/42/27/82/930422782.db2.gz BDRLPLDNFZQXAP-CQSZACIVSA-N 1 2 367.471 3.630 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(OCc4ccccc4)CC3)nc2c1 ZINC000548180455 932138129 /nfs/dbraw/zinc/13/81/29/932138129.db2.gz MUECDBLEFFWLDB-UHFFFAOYSA-N 1 2 366.421 3.652 20 5 FHBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000611271864 934949840 /nfs/dbraw/zinc/94/98/40/934949840.db2.gz ALZQBCHWBOUIDA-UHFFFAOYSA-N 1 2 356.357 3.881 20 5 FHBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000611271864 934949845 /nfs/dbraw/zinc/94/98/45/934949845.db2.gz ALZQBCHWBOUIDA-UHFFFAOYSA-N 1 2 356.357 3.881 20 5 FHBDLO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000892159096 935176196 /nfs/dbraw/zinc/17/61/96/935176196.db2.gz HBFRUQGATSSUPF-UHFFFAOYSA-N 1 2 357.801 3.834 20 5 FHBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000611576642 935282910 /nfs/dbraw/zinc/28/29/10/935282910.db2.gz PURIZQKSPSWTMR-MRXNPFEDSA-N 1 2 354.328 3.520 20 5 FHBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000611576642 935282912 /nfs/dbraw/zinc/28/29/12/935282912.db2.gz PURIZQKSPSWTMR-MRXNPFEDSA-N 1 2 354.328 3.520 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)cs2)c1 ZINC000611608107 935730656 /nfs/dbraw/zinc/73/06/56/935730656.db2.gz FKPSFDPGQNDTSB-CQSZACIVSA-N 1 2 369.393 3.922 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](OC(F)F)C3)cs2)c1 ZINC000611608107 935730661 /nfs/dbraw/zinc/73/06/61/935730661.db2.gz FKPSFDPGQNDTSB-CQSZACIVSA-N 1 2 369.393 3.922 20 5 FHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCCOC[C@@H]2C)cc1OC ZINC000611668201 935890574 /nfs/dbraw/zinc/89/05/74/935890574.db2.gz DOCKQGCYVKYVQF-GJZGRUSLSA-N 1 2 366.458 3.639 20 5 FHBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCOC[C@@H]2C)cc1OC ZINC000611668201 935890577 /nfs/dbraw/zinc/89/05/77/935890577.db2.gz DOCKQGCYVKYVQF-GJZGRUSLSA-N 1 2 366.458 3.639 20 5 FHBDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599766 938481143 /nfs/dbraw/zinc/48/11/43/938481143.db2.gz CPYHZCGTOBVIBO-PBHICJAKSA-N 1 2 373.478 3.840 20 5 FHBDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599766 938481144 /nfs/dbraw/zinc/48/11/44/938481144.db2.gz CPYHZCGTOBVIBO-PBHICJAKSA-N 1 2 373.478 3.840 20 5 FHBDLO CC(C)c1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001167680296 939020698 /nfs/dbraw/zinc/02/06/98/939020698.db2.gz CJWZXUVZEGXWEG-UHFFFAOYSA-N 1 2 367.449 3.676 20 5 FHBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)s1 ZINC000612091040 939048962 /nfs/dbraw/zinc/04/89/62/939048962.db2.gz OTTWELCCWQTSGA-UHFFFAOYSA-N 1 2 354.435 3.658 20 5 FHBDLO O=[N+]([O-])c1sccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000612091044 939049025 /nfs/dbraw/zinc/04/90/25/939049025.db2.gz TUZZPMJAYGXSFZ-UHFFFAOYSA-N 1 2 354.435 3.658 20 5 FHBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000507444181 945239381 /nfs/dbraw/zinc/23/93/81/945239381.db2.gz ZVANEGMATWKOJV-UHFFFAOYSA-N 1 2 352.394 3.654 20 5 FHBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000507444181 945239392 /nfs/dbraw/zinc/23/93/92/945239392.db2.gz ZVANEGMATWKOJV-UHFFFAOYSA-N 1 2 352.394 3.654 20 5 FHBDLO CSc1ccccc1NC(=O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179625672 939897503 /nfs/dbraw/zinc/89/75/03/939897503.db2.gz WKPJCWHRNGHQBR-VQHVLOKHSA-N 1 2 371.462 3.900 20 5 FHBDLO CSc1ccccc1NC(=O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179625672 939897510 /nfs/dbraw/zinc/89/75/10/939897510.db2.gz WKPJCWHRNGHQBR-VQHVLOKHSA-N 1 2 371.462 3.900 20 5 FHBDLO C[C@H](CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000066460376 940495069 /nfs/dbraw/zinc/49/50/69/940495069.db2.gz JVOAFANAZOYCHR-OAHLLOKOSA-N 1 2 364.405 3.656 20 5 FHBDLO COc1ccc(OCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1 ZINC000173329722 940609637 /nfs/dbraw/zinc/60/96/37/940609637.db2.gz LBGMZWGSSFSJNA-UHFFFAOYSA-N 1 2 367.405 3.522 20 5 FHBDLO COc1ccc(OCC[N@H+]2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c1 ZINC000173329722 940609639 /nfs/dbraw/zinc/60/96/39/940609639.db2.gz LBGMZWGSSFSJNA-UHFFFAOYSA-N 1 2 367.405 3.522 20 5 FHBDLO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(Cl)cc1 ZINC000180416887 941004530 /nfs/dbraw/zinc/00/45/30/941004530.db2.gz LGSOQLQVLJKHBQ-GFCCVEGCSA-N 1 2 371.828 3.988 20 5 FHBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000181009618 941102721 /nfs/dbraw/zinc/10/27/21/941102721.db2.gz JUCRWEVPBNJJFD-UHFFFAOYSA-N 1 2 374.466 3.769 20 5 FHBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000181337323 941124765 /nfs/dbraw/zinc/12/47/65/941124765.db2.gz IEWKOJZBFWVPDB-LSDHHAIUSA-N 1 2 351.410 3.896 20 5 FHBDLO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cscn3)CC2)c2ncccc12 ZINC000377539145 941795835 /nfs/dbraw/zinc/79/58/35/941795835.db2.gz CHNLCMUGOGECDI-UHFFFAOYSA-N 1 2 369.450 3.676 20 5 FHBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000119657119 941896426 /nfs/dbraw/zinc/89/64/26/941896426.db2.gz NCRDPRCUMPEYCH-QGZVFWFLSA-N 1 2 373.840 3.702 20 5 FHBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541171751 942005651 /nfs/dbraw/zinc/00/56/51/942005651.db2.gz CJABOGVWMDBSLC-UHFFFAOYSA-N 1 2 357.414 3.516 20 5 FHBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000513670215 942065974 /nfs/dbraw/zinc/06/59/74/942065974.db2.gz VALVAVVHXDRLKF-UHFFFAOYSA-N 1 2 374.303 3.634 20 5 FHBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(c4ncc[nH]4)CC3)cs2)c1 ZINC000271173374 942119620 /nfs/dbraw/zinc/11/96/20/942119620.db2.gz DVANNWPFQJOYBC-UHFFFAOYSA-N 1 2 369.450 3.821 20 5 FHBDLO Cn1ccnc1[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000549410199 942508044 /nfs/dbraw/zinc/50/80/44/942508044.db2.gz RWIWTGYPIQYURH-CYBMUJFWSA-N 1 2 356.348 3.596 20 5 FHBDLO CCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000513995691 942655914 /nfs/dbraw/zinc/65/59/14/942655914.db2.gz ZOJJEAQTOVDJGI-KRWDZBQOSA-N 1 2 373.840 3.597 20 5 FHBDLO COc1cc(C[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000514009312 942668016 /nfs/dbraw/zinc/66/80/16/942668016.db2.gz COTNXCYEKQFFMF-UHFFFAOYSA-N 1 2 358.263 3.589 20 5 FHBDLO COc1cc(C[N@@H+](C)CCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000514009312 942668018 /nfs/dbraw/zinc/66/80/18/942668018.db2.gz COTNXCYEKQFFMF-UHFFFAOYSA-N 1 2 358.263 3.589 20 5 FHBDLO CC(C)c1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000190172883 942849225 /nfs/dbraw/zinc/84/92/25/942849225.db2.gz QFORFBVGZLTILP-HNNXBMFYSA-N 1 2 370.453 3.547 20 5 FHBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435030294 943113031 /nfs/dbraw/zinc/11/30/31/943113031.db2.gz QGHDQODPNBVIFM-UKTHLTGXSA-N 1 2 368.368 3.977 20 5 FHBDLO COc1c(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c(C)nn1C ZINC000162381026 943491990 /nfs/dbraw/zinc/49/19/90/943491990.db2.gz NLHQVTPDQUBKLH-IBGZPJMESA-N 1 2 366.421 3.525 20 5 FHBDLO C[NH+](C)[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccc(Cl)c1 ZINC000504223901 943554380 /nfs/dbraw/zinc/55/43/80/943554380.db2.gz ZJLMWNRMYJLUBQ-OAHLLOKOSA-N 1 2 358.785 3.949 20 5 FHBDLO COc1cc(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c([N+](=O)[O-])cc1F ZINC000183976461 943646829 /nfs/dbraw/zinc/64/68/29/943646829.db2.gz YXZPTVFXYKEOTL-UHFFFAOYSA-N 1 2 370.262 3.554 20 5 FHBDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000424322181 943843704 /nfs/dbraw/zinc/84/37/04/943843704.db2.gz HZYLIXDPBXYIHA-QMTHXVAHSA-N 1 2 361.423 3.566 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425549555 944302031 /nfs/dbraw/zinc/30/20/31/944302031.db2.gz LIPBZNOVRCSDQL-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425549555 944302042 /nfs/dbraw/zinc/30/20/42/944302042.db2.gz LIPBZNOVRCSDQL-SJLPKXTDSA-N 1 2 362.813 3.565 20 5 FHBDLO COc1cc(OC)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)c1 ZINC000507167257 945017210 /nfs/dbraw/zinc/01/72/10/945017210.db2.gz KPZDGPMTNNOJKR-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO COc1cc(OC)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(OC)c1 ZINC000507167257 945017220 /nfs/dbraw/zinc/01/72/20/945017220.db2.gz KPZDGPMTNNOJKR-UHFFFAOYSA-N 1 2 372.421 3.785 20 5 FHBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877549 945422139 /nfs/dbraw/zinc/42/21/39/945422139.db2.gz QTLFVCUUXUZRBP-GFCCVEGCSA-N 1 2 362.455 3.608 20 5 FHBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000106877549 945422144 /nfs/dbraw/zinc/42/21/44/945422144.db2.gz QTLFVCUUXUZRBP-GFCCVEGCSA-N 1 2 362.455 3.608 20 5 FHBDLO COc1cc(C[N@H+](C)Cc2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778833 945541169 /nfs/dbraw/zinc/54/11/69/945541169.db2.gz WQWGHSXNBPZRGU-UHFFFAOYSA-N 1 2 358.366 3.898 20 5 FHBDLO COc1cc(C[N@@H+](C)Cc2cccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778833 945541176 /nfs/dbraw/zinc/54/11/76/945541176.db2.gz WQWGHSXNBPZRGU-UHFFFAOYSA-N 1 2 358.366 3.898 20 5 FHBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000045515105 946064649 /nfs/dbraw/zinc/06/46/49/946064649.db2.gz OFGUFUYZAFKFNK-UHFFFAOYSA-N 1 2 354.341 3.586 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000093338430 946317180 /nfs/dbraw/zinc/31/71/80/946317180.db2.gz MSPWPTDLUHAVDR-UHFFFAOYSA-N 1 2 352.419 3.672 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc(-c3ccccn3)s1)CC2 ZINC000093338430 946317194 /nfs/dbraw/zinc/31/71/94/946317194.db2.gz MSPWPTDLUHAVDR-UHFFFAOYSA-N 1 2 352.419 3.672 20 5 FHBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279851 946816267 /nfs/dbraw/zinc/81/62/67/946816267.db2.gz OQXSRJZHNBYDLE-KCJUWKMLSA-N 1 2 354.275 3.969 20 5 FHBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000475279851 946816275 /nfs/dbraw/zinc/81/62/75/946816275.db2.gz OQXSRJZHNBYDLE-KCJUWKMLSA-N 1 2 354.275 3.969 20 5 FHBDLO COc1cccc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1[N+](=O)[O-] ZINC000475385428 946995489 /nfs/dbraw/zinc/99/54/89/946995489.db2.gz AUIRVWKOGPIVDY-CQSZACIVSA-N 1 2 351.353 3.596 20 5 FHBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800704 947008006 /nfs/dbraw/zinc/00/80/06/947008006.db2.gz QLQCFMRNEJCEDA-RDTXWAMCSA-N 1 2 371.462 3.712 20 5 FHBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800704 947008018 /nfs/dbraw/zinc/00/80/18/947008018.db2.gz QLQCFMRNEJCEDA-RDTXWAMCSA-N 1 2 371.462 3.712 20 5 FHBDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444606805 947032536 /nfs/dbraw/zinc/03/25/36/947032536.db2.gz HFRWGTXGUOBIDG-KRWDZBQOSA-N 1 2 352.394 3.817 20 5 FHBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444606805 947032525 /nfs/dbraw/zinc/03/25/25/947032525.db2.gz HFRWGTXGUOBIDG-KRWDZBQOSA-N 1 2 352.394 3.817 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](c4c(F)cccc4F)C3)nc2c1 ZINC000444685924 947087125 /nfs/dbraw/zinc/08/71/25/947087125.db2.gz BKORLXNFZXFQPV-NSHDSACASA-N 1 2 358.348 3.739 20 5 FHBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](c4c(F)cccc4F)C3)nc2c1 ZINC000444685924 947087136 /nfs/dbraw/zinc/08/71/36/947087136.db2.gz BKORLXNFZXFQPV-NSHDSACASA-N 1 2 358.348 3.739 20 5 FHBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440554644 947222240 /nfs/dbraw/zinc/22/22/40/947222240.db2.gz VDIPSXIHSUECKH-CKNLXJGOSA-N 1 2 370.453 3.641 20 5 FHBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440554644 947222250 /nfs/dbraw/zinc/22/22/50/947222250.db2.gz VDIPSXIHSUECKH-CKNLXJGOSA-N 1 2 370.453 3.641 20 5 FHBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000523552139 947365274 /nfs/dbraw/zinc/36/52/74/947365274.db2.gz HDDHULHWQSRMNH-UHFFFAOYSA-N 1 2 372.768 3.695 20 5 FHBDLO CN(C)c1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000162944687 947982997 /nfs/dbraw/zinc/98/29/97/947982997.db2.gz UCUOWMKWEHENQK-UHFFFAOYSA-N 1 2 355.423 3.791 20 5 FHBDLO O=[N+]([O-])c1cccc2c(NCc3cccc(Cn4cc[nH+]c4)c3)ccnc21 ZINC000432336685 948147825 /nfs/dbraw/zinc/14/78/25/948147825.db2.gz OOYIHHTUKJLUAV-UHFFFAOYSA-N 1 2 359.389 4.000 20 5 FHBDLO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+]2CCOCC2)cc1 ZINC000071968899 221391432 /nfs/dbraw/zinc/39/14/32/221391432.db2.gz HKXQCEAPKAQWSO-LJQANCHMSA-N 1 2 359.401 3.528 20 5 FHBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000568146702 567942384 /nfs/dbraw/zinc/94/23/84/567942384.db2.gz XEYJKDKCJMFEIQ-WKILWMFISA-N 1 2 368.437 3.760 20 5 FHBDLO Cc1cccc(C)c1OC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000051451855 567958747 /nfs/dbraw/zinc/95/87/47/567958747.db2.gz NWWOCOIBAWUKMO-GOSISDBHSA-N 1 2 367.405 3.515 20 5 FHBDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000568497177 568037410 /nfs/dbraw/zinc/03/74/10/568037410.db2.gz IHDWLZQHRVQUMJ-ZDUSSCGKSA-N 1 2 369.425 3.520 20 5 FHBDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000568497177 568037411 /nfs/dbraw/zinc/03/74/11/568037411.db2.gz IHDWLZQHRVQUMJ-ZDUSSCGKSA-N 1 2 369.425 3.520 20 5 FHBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc([N+](=O)[O-])c1 ZINC000481912523 568178252 /nfs/dbraw/zinc/17/82/52/568178252.db2.gz XRNBLRARUJZGHQ-UHFFFAOYSA-N 1 2 373.840 3.515 20 5 FHBDLO O=C(CCC1CCCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603935566 568188116 /nfs/dbraw/zinc/18/81/16/568188116.db2.gz KZBKRELTYJEHBP-UHFFFAOYSA-N 1 2 359.470 3.600 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc(-c3ccncc3)s1)CCO2 ZINC000569162350 568300932 /nfs/dbraw/zinc/30/09/32/568300932.db2.gz KMGSZIQZKASTIG-UHFFFAOYSA-N 1 2 368.418 3.508 20 5 FHBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc(-c3ccncc3)s1)CCO2 ZINC000569162350 568300933 /nfs/dbraw/zinc/30/09/33/568300933.db2.gz KMGSZIQZKASTIG-UHFFFAOYSA-N 1 2 368.418 3.508 20 5 FHBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000570008760 568449523 /nfs/dbraw/zinc/44/95/23/568449523.db2.gz IHEUWURPICWRTC-QPJJXVBHSA-N 1 2 356.407 3.852 20 5 FHBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nc(-c2cccs2)no1 ZINC000570008760 568449524 /nfs/dbraw/zinc/44/95/24/568449524.db2.gz IHEUWURPICWRTC-QPJJXVBHSA-N 1 2 356.407 3.852 20 5 FHBDLO