smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2ccc(CN3CCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000538735724 1016163787 /nfs/dbraw/zinc/16/37/87/1016163787.db2.gz XNENFWSHACGWLN-UHFFFAOYSA-N 0 3 316.357 3.848 20 5 DHBDHN Cc1cnc([C@H](NCCc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185304440 1016839536 /nfs/dbraw/zinc/83/95/36/1016839536.db2.gz ODMBYQKUXYEDGM-OAHLLOKOSA-N 0 3 317.414 3.643 20 5 DHBDHN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000847018558 1032179202 /nfs/dbraw/zinc/17/92/02/1032179202.db2.gz FTEBZMJLMWXHLD-IAGOWNOFSA-N 0 3 318.348 3.508 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000514080841 1012263548 /nfs/dbraw/zinc/26/35/48/1012263548.db2.gz YCOTULSVUOYAMI-GFCCVEGCSA-N 0 3 310.344 3.778 20 5 DHBDHN CC(C)(C)C[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444611579 1017586841 /nfs/dbraw/zinc/58/68/41/1017586841.db2.gz QSBQUCHOQDZMJQ-ZDUSSCGKSA-N 0 3 316.405 3.872 20 5 DHBDHN CCc1ccccc1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001167646303 1017932255 /nfs/dbraw/zinc/93/22/55/1017932255.db2.gz AFAFPKKRUDIFAG-UHFFFAOYSA-N 0 3 310.397 3.758 20 5 DHBDHN CO[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457114 1018216530 /nfs/dbraw/zinc/21/65/30/1018216530.db2.gz JKLDAYVCOOLMTL-SJKOYZFVSA-N 0 3 318.348 3.772 20 5 DHBDHN CN(CCCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000527356063 1018559955 /nfs/dbraw/zinc/55/99/55/1018559955.db2.gz APVCGNSRRCCIPK-UHFFFAOYSA-N 0 3 314.385 3.886 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCC1SCCS1 ZINC000693826395 1018773144 /nfs/dbraw/zinc/77/31/44/1018773144.db2.gz BOCOMBNPSYDWKU-UHFFFAOYSA-N 0 3 318.851 3.534 20 5 DHBDHN CCCCN(CCCC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052870269 1019017598 /nfs/dbraw/zinc/01/75/98/1019017598.db2.gz HWHBRGMLQBJCHD-UHFFFAOYSA-N 0 3 322.405 3.864 20 5 DHBDHN CSCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611518114 1019510834 /nfs/dbraw/zinc/51/08/34/1019510834.db2.gz CMRSJRBJZZBUJP-INIZCTEOSA-N 0 3 302.399 3.637 20 5 DHBDHN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)C(C)C ZINC000067653801 1019769640 /nfs/dbraw/zinc/76/96/40/1019769640.db2.gz AUBWCLWOEXTDSF-LBPRGKRZSA-N 0 3 318.377 3.511 20 5 DHBDHN CN(CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765357 1020069428 /nfs/dbraw/zinc/06/94/28/1020069428.db2.gz INLOPDDTBCQJNY-ZIAGYGMSSA-N 0 3 316.323 3.550 20 5 DHBDHN CN(CC[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765354 1020072663 /nfs/dbraw/zinc/07/26/63/1020072663.db2.gz INLOPDDTBCQJNY-KGLIPLIRSA-N 0 3 316.323 3.550 20 5 DHBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000603854126 1020207326 /nfs/dbraw/zinc/20/73/26/1020207326.db2.gz QZMXGYFISWVGPW-NWDGAFQWSA-N 0 3 311.813 3.923 20 5 DHBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000264335504 1032907365 /nfs/dbraw/zinc/90/73/65/1032907365.db2.gz LYZKYRNZDIZNDA-HNNXBMFYSA-N 0 3 318.348 3.983 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000612578237 1020630743 /nfs/dbraw/zinc/63/07/43/1020630743.db2.gz XVZOVARZMCXLDW-SFHVURJKSA-N 0 3 312.369 3.946 20 5 DHBDHN CO[C@@](C)([C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969822 1020637323 /nfs/dbraw/zinc/63/73/23/1020637323.db2.gz MFNKIVJVDZLOIJ-BONVTDFDSA-N 0 3 312.797 3.541 20 5 DHBDHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177807054 1020807427 /nfs/dbraw/zinc/80/74/27/1020807427.db2.gz ZCRGFSNCZISZHN-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCCC(F)(F)C2)c1 ZINC000695087381 1021513196 /nfs/dbraw/zinc/51/31/96/1021513196.db2.gz INFTWHRBCZWLGR-SNVBAGLBSA-N 0 3 304.724 3.916 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000851108287 1021741184 /nfs/dbraw/zinc/74/11/84/1021741184.db2.gz LJYUGTFHQUCJPC-MKVGIYFCSA-N 0 3 321.348 3.511 20 5 DHBDHN CN(Cc1cccc(Cl)c1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035290 1022221325 /nfs/dbraw/zinc/22/13/25/1022221325.db2.gz KARLPOILWUESCC-PWSUYJOCSA-N 0 3 317.216 3.871 20 5 DHBDHN CC[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC000538392532 1033050182 /nfs/dbraw/zinc/05/01/82/1033050182.db2.gz VCSPVFKZUOAIFJ-CYBMUJFWSA-N 0 3 318.377 3.559 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCOC(C)(C)C ZINC000615835071 1022568628 /nfs/dbraw/zinc/56/86/28/1022568628.db2.gz GEPFPHPSOZJJJQ-KAMYIIQDSA-N 0 3 306.406 3.745 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCOC(C)(C)C ZINC000615835073 1022568782 /nfs/dbraw/zinc/56/87/82/1022568782.db2.gz GEPFPHPSOZJJJQ-SDNWHVSQSA-N 0 3 306.406 3.745 20 5 DHBDHN C[C@@H]1C[C@@H](C)[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000616123419 1022648202 /nfs/dbraw/zinc/64/82/02/1022648202.db2.gz GCXDAYOQMNJFAX-UTUOFQBUSA-N 0 3 303.362 3.602 20 5 DHBDHN Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417302492 1022668608 /nfs/dbraw/zinc/66/86/08/1022668608.db2.gz BMZXGHSRNQJQHN-SFHVURJKSA-N 0 3 311.385 3.856 20 5 DHBDHN CC[C@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000616487723 1022733939 /nfs/dbraw/zinc/73/39/39/1022733939.db2.gz RDBBSUUUCUEMGH-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN COC[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769459540 1023158797 /nfs/dbraw/zinc/15/87/97/1023158797.db2.gz GDNODLXLUGMVIY-SFHVURJKSA-N 0 3 321.420 3.840 20 5 DHBDHN C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000093503341 1023760842 /nfs/dbraw/zinc/76/08/42/1023760842.db2.gz BXYQVDCFUNIKSB-RYUDHWBXSA-N 0 3 317.414 3.806 20 5 DHBDHN CC(C)N(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000349287017 1024696935 /nfs/dbraw/zinc/69/69/35/1024696935.db2.gz UAXPXBUCIFDFOQ-RMKNXTFCSA-N 0 3 311.385 3.914 20 5 DHBDHN CCCCN(CC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898450 1024807581 /nfs/dbraw/zinc/80/75/81/1024807581.db2.gz WBJVZUDESBYTDF-UHFFFAOYSA-N 0 3 302.378 3.538 20 5 DHBDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792868906 1024812736 /nfs/dbraw/zinc/81/27/36/1024812736.db2.gz YLZAYXATRFLISS-TYNCELHUSA-N 0 3 319.361 3.656 20 5 DHBDHN CCCCO[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236851501 1025060505 /nfs/dbraw/zinc/06/05/05/1025060505.db2.gz ORBQDBPNWSNFIF-CHWSQXEVSA-N 0 3 312.435 3.730 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccsc1)N(C)C ZINC000353442416 1025069569 /nfs/dbraw/zinc/06/95/69/1025069569.db2.gz VOVVTGFQTOSWAM-OAHLLOKOSA-N 0 3 305.403 3.680 20 5 DHBDHN COc1cc(CN2C[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884232 1025278082 /nfs/dbraw/zinc/27/80/82/1025278082.db2.gz WIBUCUFZIHWPIH-CHWSQXEVSA-N 0 3 322.405 3.623 20 5 DHBDHN C[C@@H](CNCc1ccnc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463764 1025365966 /nfs/dbraw/zinc/36/59/66/1025365966.db2.gz INYJLJOQRKTYSF-JTQLQIEISA-N 0 3 323.755 3.676 20 5 DHBDHN CCc1cnc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463652 1025366419 /nfs/dbraw/zinc/36/64/19/1025366419.db2.gz AZPIHSZZJOZBER-NSHDSACASA-N 0 3 305.403 3.507 20 5 DHBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014086 1025438034 /nfs/dbraw/zinc/43/80/34/1025438034.db2.gz BWHGTUSGCIDNSU-GDBMZVCRSA-N 0 3 311.385 3.676 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819253 1025518360 /nfs/dbraw/zinc/51/83/60/1025518360.db2.gz AMMLVCYWIWLXGP-AEFFLSMTSA-N 0 3 318.417 3.862 20 5 DHBDHN CCCN(CCc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000886135943 1025523272 /nfs/dbraw/zinc/52/32/72/1025523272.db2.gz BJGNLDIVSNGZEF-UHFFFAOYSA-N 0 3 305.403 3.506 20 5 DHBDHN COCc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122065147 1026168756 /nfs/dbraw/zinc/16/87/56/1026168756.db2.gz LQNYDXBRCPZMGV-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN CC[C@@H](CSC)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809767832 1026605389 /nfs/dbraw/zinc/60/53/89/1026605389.db2.gz VNHFCTFIJOQRPQ-NSHDSACASA-N 0 3 302.827 3.822 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421391210 1026979068 /nfs/dbraw/zinc/97/90/68/1026979068.db2.gz ABIAIUFDYORVJN-HNNXBMFYSA-N 0 3 320.433 3.703 20 5 DHBDHN CS[C@H](C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484751 1027009626 /nfs/dbraw/zinc/00/96/26/1027009626.db2.gz IXKMFJDYGGZJAL-SSDOTTSWSA-N 0 3 309.218 3.743 20 5 DHBDHN CCOc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000575761443 1027498008 /nfs/dbraw/zinc/49/80/08/1027498008.db2.gz AUGTVBQETJEFGM-QGZVFWFLSA-N 0 3 312.369 3.771 20 5 DHBDHN Cc1ccc2c(Cl)c(C(=O)OCC(C)[N+](=O)[O-])sc2c1 ZINC000813115170 1027534762 /nfs/dbraw/zinc/53/47/62/1027534762.db2.gz LUNPBOJGGWKHFG-MRVPVSSYSA-N 0 3 313.762 3.685 20 5 DHBDHN CC(COC(=O)c1cc2sc3ccccc3c2s1)[N+](=O)[O-] ZINC000813108624 1027535663 /nfs/dbraw/zinc/53/56/63/1027535663.db2.gz INVYARRXJVXYLN-QMMMGPOBSA-N 0 3 321.379 3.938 20 5 DHBDHN COc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)cc1C ZINC000933490352 1027745752 /nfs/dbraw/zinc/74/57/52/1027745752.db2.gz VPWUDJKRLQGWNT-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1cc([C@@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000364017059 1027796797 /nfs/dbraw/zinc/79/67/97/1027796797.db2.gz ZFTSMRXURVFKBI-DZGCQCFKSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1ccc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CNC3)c(C)c1 ZINC001170726314 1027878227 /nfs/dbraw/zinc/87/82/27/1027878227.db2.gz MDPYSQQHBOBZCH-ZDUSSCGKSA-N 0 3 311.385 3.988 20 5 DHBDHN C[C@@H](NCc1cccc2c1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000601305105 1028071533 /nfs/dbraw/zinc/07/15/33/1028071533.db2.gz VEADZAFPDFZZOV-CYBMUJFWSA-N 0 3 312.369 3.518 20 5 DHBDHN Cc1cccc2[nH]c(CN[C@@H](C)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000449207983 1028446313 /nfs/dbraw/zinc/44/63/13/1028446313.db2.gz OSKUWDBWPMWWSF-ZDUSSCGKSA-N 0 3 324.384 3.500 20 5 DHBDHN Cc1ccnc([C@@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582361 1028479914 /nfs/dbraw/zinc/47/99/14/1028479914.db2.gz CCPPDSMJDDGQQH-HUUCEWRRSA-N 0 3 311.385 3.849 20 5 DHBDHN CC1(C)OCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449412198 1028628493 /nfs/dbraw/zinc/62/84/93/1028628493.db2.gz BRNCNJSEZAZGEI-INIZCTEOSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ncc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496007 1028708099 /nfs/dbraw/zinc/70/80/99/1028708099.db2.gz FTHIYXHXDUZBLP-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000449617838 1028871063 /nfs/dbraw/zinc/87/10/63/1028871063.db2.gz IYONWJXNNAGAHT-OAHLLOKOSA-N 0 3 320.433 3.701 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@]2(CCSC2)C1 ZINC000449731146 1028938558 /nfs/dbraw/zinc/93/85/58/1028938558.db2.gz HKQMCAXDZWBTIT-ZNNBYXKUSA-N 0 3 318.442 3.827 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@]2(CCSC2)C1 ZINC000449731145 1028939561 /nfs/dbraw/zinc/93/95/61/1028939561.db2.gz HKQMCAXDZWBTIT-SVEBXFOSSA-N 0 3 318.442 3.827 20 5 DHBDHN CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000568139612 1029015270 /nfs/dbraw/zinc/01/52/70/1029015270.db2.gz JQELOGGYSLWEHU-PTNGSMBKSA-N 0 3 311.385 3.915 20 5 DHBDHN CCC[C@@]1(CO)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000570368217 1029358817 /nfs/dbraw/zinc/35/88/17/1029358817.db2.gz YYCQSSNIRBDHBK-GOSISDBHSA-N 0 3 320.433 3.703 20 5 DHBDHN CCOc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000865786913 1030026110 /nfs/dbraw/zinc/02/61/10/1030026110.db2.gz UVOKDSUZSMGTOE-UHFFFAOYSA-N 0 3 300.358 3.592 20 5 DHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1(Br)CC1 ZINC000924799505 1030192490 /nfs/dbraw/zinc/19/24/90/1030192490.db2.gz SZNSHFFHYNCYBA-VHSXEESVSA-N 0 3 313.195 3.561 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113346 1030620574 /nfs/dbraw/zinc/62/05/74/1030620574.db2.gz NVSSTEOCKICKJW-SECBINFHSA-N 0 3 323.780 3.746 20 5 DHBDHN CC[C@@](C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824743958 1030635949 /nfs/dbraw/zinc/63/59/49/1030635949.db2.gz SRLRDMGMDCHUKE-ZDUSSCGKSA-N 0 3 321.204 3.806 20 5 DHBDHN C[C@@H](NC[C@@H](C)c1ccncc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041059 1031426312 /nfs/dbraw/zinc/42/63/12/1031426312.db2.gz PGSAFVYANADFJW-VXGBXAGGSA-N 0 3 303.337 3.583 20 5 DHBDHN C[C@@H](N[C@@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047990 1031436345 /nfs/dbraw/zinc/43/63/45/1031436345.db2.gz FVKLPIZELAIZOQ-CHWSQXEVSA-N 0 3 322.380 3.876 20 5 DHBDHN C[C@H](NCC1([C@@H](C)CCO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054573 1031442825 /nfs/dbraw/zinc/44/28/25/1031442825.db2.gz ZAHXLOZTUJFFPP-STQMWFEESA-N 0 3 324.396 3.573 20 5 DHBDHN C[C@@H](NCCC1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075432 1031471955 /nfs/dbraw/zinc/47/19/55/1031471955.db2.gz ATXXKSRTTUIAQY-SECBINFHSA-N 0 3 302.296 3.820 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000872090888 1031488508 /nfs/dbraw/zinc/48/85/08/1031488508.db2.gz FAZRXKILXCTWOB-KZWBYHQPSA-N 0 3 310.419 3.533 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCCF)cs2)c1 ZINC000361050617 1031696463 /nfs/dbraw/zinc/69/64/63/1031696463.db2.gz JDRRHKVTJITPQL-UHFFFAOYSA-N 0 3 309.366 3.558 20 5 DHBDHN COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000873078969 1031704066 /nfs/dbraw/zinc/70/40/66/1031704066.db2.gz AIRVIJBTWPNCAB-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)o1 ZINC000845872311 1031748753 /nfs/dbraw/zinc/74/87/53/1031748753.db2.gz GNAVPUUCHAUPRI-BONVTDFDSA-N 0 3 321.304 3.599 20 5 DHBDHN CC([C@@H](OC(=O)C=C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877414 1031750673 /nfs/dbraw/zinc/75/06/73/1031750673.db2.gz RPIUWXOGXBJKCQ-MEDUHNTESA-N 0 3 307.321 3.576 20 5 DHBDHN Cc1cscc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881198 1031751320 /nfs/dbraw/zinc/75/13/20/1031751320.db2.gz ZGKFVISVLNJQRA-HZMBPMFUSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)C=C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877412 1031752077 /nfs/dbraw/zinc/75/20/77/1031752077.db2.gz RPIUWXOGXBJKCQ-BZNIZROVSA-N 0 3 307.321 3.576 20 5 DHBDHN C[C@@H](N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898751 1033434781 /nfs/dbraw/zinc/43/47/81/1033434781.db2.gz IYSKYKSWQQPUHK-RISCZKNCSA-N 0 3 317.414 3.650 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCCC[C@@H]3C=CCC3)nc2c1 ZINC000877807917 1033458855 /nfs/dbraw/zinc/45/88/55/1033458855.db2.gz YSQCLSKKVFOSAG-GFCCVEGCSA-N 0 3 301.346 3.572 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2[C@H](C)CCC[C@@H]2C)c1F ZINC001173181065 1033581463 /nfs/dbraw/zinc/58/14/63/1033581463.db2.gz BGMKATIQIJKQHN-XQQFMLRXSA-N 0 3 324.396 3.936 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cccc2C1 ZINC001173235717 1033607989 /nfs/dbraw/zinc/60/79/89/1033607989.db2.gz YVKIBSCAQWPSKK-CYBMUJFWSA-N 0 3 314.360 3.723 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264958 1033639857 /nfs/dbraw/zinc/63/98/57/1033639857.db2.gz WABRSGAKGVXMAC-OCCSQVGLSA-N 0 3 303.362 3.729 20 5 DHBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000553805931 1033847844 /nfs/dbraw/zinc/84/78/44/1033847844.db2.gz LUFLWFNWOHIZFJ-UHFFFAOYSA-N 0 3 306.387 3.604 20 5 DHBDHN Cc1c([C@H](C)NCc2ccc([C@@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550119 1034246149 /nfs/dbraw/zinc/24/61/49/1034246149.db2.gz GDCQKYVVJQEOJL-UONOGXRCSA-N 0 3 314.385 3.807 20 5 DHBDHN Cc1ccc(CN(C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183253623 1034366716 /nfs/dbraw/zinc/36/67/16/1034366716.db2.gz QYAXOJMZDVLTSQ-GFCCVEGCSA-N 0 3 305.403 3.595 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H]1C1CCOCC1 ZINC000777440460 1034743920 /nfs/dbraw/zinc/74/39/20/1034743920.db2.gz WUPBOUGZOHJMGK-OAHLLOKOSA-N 0 3 324.808 3.639 20 5 DHBDHN CCC1(CC)CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001175898695 1035154034 /nfs/dbraw/zinc/15/40/34/1035154034.db2.gz VPCOINGQQHGUCP-UHFFFAOYSA-N 0 3 307.350 3.658 20 5 DHBDHN CC[C@H](NCc1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001178365380 1035425681 /nfs/dbraw/zinc/42/56/81/1035425681.db2.gz GXEUHOHWCFQYET-INIZCTEOSA-N 0 3 322.368 3.779 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](OCCC(C)C)C1 ZINC001183095281 1036522838 /nfs/dbraw/zinc/52/28/38/1036522838.db2.gz OBVCTUVSZFVIRJ-MRXNPFEDSA-N 0 3 320.433 3.849 20 5 DHBDHN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC001198407533 1037014732 /nfs/dbraw/zinc/01/47/32/1037014732.db2.gz WGJKCGNFQFQIPZ-LLVKDONJSA-N 0 3 301.346 3.528 20 5 DHBDHN COc1cc(CN[C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492914227 1037056729 /nfs/dbraw/zinc/05/67/29/1037056729.db2.gz WTNXJUDJQCXDQM-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCc2ccccc2F)c1 ZINC000035368102 1037078125 /nfs/dbraw/zinc/07/81/25/1037078125.db2.gz NRPFGZMGQWGSEC-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN Cc1ccc(OCCNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761523730 1037342506 /nfs/dbraw/zinc/34/25/06/1037342506.db2.gz WZIAOEBHEKJFIR-UHFFFAOYSA-N 0 3 320.776 3.725 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000491114909 1037907684 /nfs/dbraw/zinc/90/76/84/1037907684.db2.gz QRLMHOBOZAPYNS-HNNXBMFYSA-N 0 3 314.360 3.799 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001190528947 1038337803 /nfs/dbraw/zinc/33/78/03/1038337803.db2.gz OPQVZPHOLMXYSS-ROUUACIJSA-N 0 3 318.417 3.763 20 5 DHBDHN C[C@@H](CN(C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001190809489 1038378738 /nfs/dbraw/zinc/37/87/38/1038378738.db2.gz KFUMGFAGFXZAIV-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000589184924 1038445030 /nfs/dbraw/zinc/44/50/30/1038445030.db2.gz ASNLSLBNRWTEKM-UHFFFAOYSA-N 0 3 309.369 3.751 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000590067875 1038583200 /nfs/dbraw/zinc/58/32/00/1038583200.db2.gz WDXADWRRNJQFRQ-CTYIDZIISA-N 0 3 318.323 3.909 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCC=CO2)o1 ZINC000780570164 1038923852 /nfs/dbraw/zinc/92/38/52/1038923852.db2.gz KXIJLSJUNAGRRI-ZDUSSCGKSA-N 0 3 314.341 3.637 20 5 DHBDHN CCN(CC)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000603853981 1039188698 /nfs/dbraw/zinc/18/86/98/1039188698.db2.gz OGEYGGJBRFSKNK-CQSZACIVSA-N 0 3 320.418 3.546 20 5 DHBDHN COc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1C ZINC000594502013 1039803127 /nfs/dbraw/zinc/80/31/27/1039803127.db2.gz BCWPRHGJBIDRRV-INIZCTEOSA-N 0 3 312.369 3.689 20 5 DHBDHN CS[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698575 1039957663 /nfs/dbraw/zinc/95/76/63/1039957663.db2.gz DUJLLAJBSXTFMS-JQWIXIFHSA-N 0 3 300.811 3.622 20 5 DHBDHN CC[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594041520 1040008957 /nfs/dbraw/zinc/00/89/57/1040008957.db2.gz DYQZKULXDAXBBR-HIFRSBDPSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000595101034 1040065473 /nfs/dbraw/zinc/06/54/73/1040065473.db2.gz ALHWLOUWRKIFHF-MRXNPFEDSA-N 0 3 312.369 3.689 20 5 DHBDHN CC[C@H](C)N(CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595600871 1040201823 /nfs/dbraw/zinc/20/18/23/1040201823.db2.gz QGQMOKNWAUDFRC-LBPRGKRZSA-N 0 3 303.362 3.870 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650450 1040539594 /nfs/dbraw/zinc/53/95/94/1040539594.db2.gz JCTATWGIFSBRKM-SJKOYZFVSA-N 0 3 311.385 3.824 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@@H]3CC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000608836589 1040624967 /nfs/dbraw/zinc/62/49/67/1040624967.db2.gz WKCFQLIQPLRARY-MRXNPFEDSA-N 0 3 316.357 3.752 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCCSC1 ZINC000602564522 1041096121 /nfs/dbraw/zinc/09/61/21/1041096121.db2.gz ACIMEVJLKFRHKM-LLVKDONJSA-N 0 3 320.336 3.599 20 5 DHBDHN CC[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000072865138 191245379 /nfs/dbraw/zinc/24/53/79/191245379.db2.gz GOXFICAFBCAHNO-MRXNPFEDSA-N 0 3 319.430 3.817 20 5 DHBDHN C[C@@H]1C[C@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092062 130089611 /nfs/dbraw/zinc/08/96/11/130089611.db2.gz SSEKKEOUTOBUJF-VXGBXAGGSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@H]1C[C@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092059 130089690 /nfs/dbraw/zinc/08/96/90/130089690.db2.gz SSEKKEOUTOBUJF-NWDGAFQWSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228041 131149310 /nfs/dbraw/zinc/14/93/10/131149310.db2.gz PCUUHKFLHINMCH-MGPLVRAMSA-N 0 3 315.348 3.654 20 5 DHBDHN CCC(CC)N(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289372237 131379915 /nfs/dbraw/zinc/37/99/15/131379915.db2.gz IIZPESMMAKYEGT-UHFFFAOYSA-N 0 3 318.377 3.655 20 5 DHBDHN Cc1c([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000290249342 131469307 /nfs/dbraw/zinc/46/93/07/131469307.db2.gz JSUHKVGKYDCDCT-PMUMKWKESA-N 0 3 314.385 3.676 20 5 DHBDHN C[C@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000525875381 335089469 /nfs/dbraw/zinc/08/94/69/335089469.db2.gz SQFZUANEBWTQIU-CYBMUJFWSA-N 0 3 314.360 3.896 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN2CCC(CC(F)(F)F)CC2)cc1 ZINC000556507395 331709977 /nfs/dbraw/zinc/70/99/77/331709977.db2.gz AIIKOXSQVMAMJA-UHFFFAOYSA-N 0 3 316.323 3.802 20 5 DHBDHN Cc1ccc(CNCCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000518280440 332006152 /nfs/dbraw/zinc/00/61/52/332006152.db2.gz OHCQRIOOOLTKQV-UHFFFAOYSA-N 0 3 321.380 3.784 20 5 DHBDHN CCC[C@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842191 332284538 /nfs/dbraw/zinc/28/45/38/332284538.db2.gz RHJZSIRKVDSYNU-JSGCOSHPSA-N 0 3 316.405 3.920 20 5 DHBDHN CCC1CC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000560237029 332321493 /nfs/dbraw/zinc/32/14/93/332321493.db2.gz ZNCMRUASOPURNQ-UHFFFAOYSA-N 0 3 302.296 3.892 20 5 DHBDHN C[C@H](CCc1ccco1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963714 332331416 /nfs/dbraw/zinc/33/14/16/332331416.db2.gz HUIIXFKFMLOSCH-LLVKDONJSA-N 0 3 308.765 3.952 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000560556570 332359593 /nfs/dbraw/zinc/35/95/93/332359593.db2.gz OKGIVBPODPGGQS-KOMQPUFPSA-N 0 3 300.333 3.770 20 5 DHBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000531213772 333335387 /nfs/dbraw/zinc/33/53/87/333335387.db2.gz PUQLCGYUUGNVOZ-ZJNRKIDTSA-N 0 3 312.369 3.638 20 5 DHBDHN CCC[C@@H](N[C@H]1CCCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000442806286 335134566 /nfs/dbraw/zinc/13/45/66/335134566.db2.gz BPLUKZINUUTXMR-IKGGRYGDSA-N 0 3 306.406 3.983 20 5 DHBDHN CCCC(O)(CCC)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531713250 333549478 /nfs/dbraw/zinc/54/94/78/333549478.db2.gz WTHAPETWRQLTNI-AWEZNQCLSA-N 0 3 308.422 3.885 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(C(F)(F)F)CC1 ZINC000571224925 333685261 /nfs/dbraw/zinc/68/52/61/333685261.db2.gz OIDPPQXRFGVQJJ-NSHDSACASA-N 0 3 300.280 3.514 20 5 DHBDHN CCC[C@@H](NCc1ccc2cncn2c1)c1cccc([N+](=O)[O-])c1 ZINC000414193719 333911907 /nfs/dbraw/zinc/91/19/07/333911907.db2.gz UPPBKJDSWDWPFT-GOSISDBHSA-N 0 3 324.384 3.874 20 5 DHBDHN CO[C@@](C)([C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234313 333927761 /nfs/dbraw/zinc/92/77/61/333927761.db2.gz IYFKXLDAYTZKBL-IGCXYCKISA-N 0 3 306.406 3.757 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000268969288 333996641 /nfs/dbraw/zinc/99/66/41/333996641.db2.gz HYTCKYOOALAYHR-BLLLJJGKSA-N 0 3 320.414 3.523 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414497584 333998334 /nfs/dbraw/zinc/99/83/34/333998334.db2.gz UBCNFXOCZIADTO-CUXJHESGSA-N 0 3 324.380 3.510 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858256 334287616 /nfs/dbraw/zinc/28/76/16/334287616.db2.gz HOOMGJVBUYTCNC-OCCSQVGLSA-N 0 3 322.405 3.602 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC2(C1)CCCCC2 ZINC000303839562 334336011 /nfs/dbraw/zinc/33/60/11/334336011.db2.gz BKDRJSZLMJEOOS-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2cccc(F)c2)c(Cl)c1 ZINC000049963406 334359706 /nfs/dbraw/zinc/35/97/06/334359706.db2.gz FRXDVYYOLOOACE-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN C[C@@H](N[C@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374317 334765261 /nfs/dbraw/zinc/76/52/61/334765261.db2.gz XZFGPYRRTAZRPP-CJNGLKHVSA-N 0 3 306.406 3.577 20 5 DHBDHN CCC(CC)[C@H](CCNCc1csc([N+](=O)[O-])c1)OC ZINC000344832296 335278993 /nfs/dbraw/zinc/27/89/93/335278993.db2.gz VMURTJRLBIJCHB-ZDUSSCGKSA-N 0 3 300.424 3.587 20 5 DHBDHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000345696625 335342696 /nfs/dbraw/zinc/34/26/96/335342696.db2.gz VZTMCMWOECJBGY-YVEFUNNKSA-N 0 3 318.348 3.600 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667073 336122129 /nfs/dbraw/zinc/12/21/29/336122129.db2.gz QVDVADOSLSCJNQ-ZJUUUORDSA-N 0 3 320.311 3.843 20 5 DHBDHN C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645782 336143388 /nfs/dbraw/zinc/14/33/88/336143388.db2.gz UMZIWPNQKCRHAV-HFAKWTLXSA-N 0 3 306.431 3.801 20 5 DHBDHN CC[C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210068 336162776 /nfs/dbraw/zinc/16/27/76/336162776.db2.gz VMIOCNYWMFDBAP-DGCLKSJQSA-N 0 3 302.378 3.530 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc2ncccc2c1 ZINC000352570014 336225119 /nfs/dbraw/zinc/22/51/19/336225119.db2.gz AVGPWOLCUIUACH-UHFFFAOYSA-N 0 3 321.380 3.818 20 5 DHBDHN CO[C@]1(C)C[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531605 336253936 /nfs/dbraw/zinc/25/39/36/336253936.db2.gz UGSUWUBLQXXTCM-ISTRZQFTSA-N 0 3 306.406 3.757 20 5 DHBDHN Cc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000301137072 336291742 /nfs/dbraw/zinc/29/17/42/336291742.db2.gz BGWWFIDJUPQREO-INIZCTEOSA-N 0 3 315.373 3.745 20 5 DHBDHN Cc1cccc([N+](=O)[O-])c1NC[C@H](c1cccs1)N(C)C ZINC000301185485 336293797 /nfs/dbraw/zinc/29/37/97/336293797.db2.gz PAGDZRLDEJIACM-CYBMUJFWSA-N 0 3 305.403 3.680 20 5 DHBDHN CN(C)[C@H](CNc1sccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301919539 336338003 /nfs/dbraw/zinc/33/80/03/336338003.db2.gz CFOYUSAORKBISX-CYBMUJFWSA-N 0 3 309.366 3.510 20 5 DHBDHN Cc1ccc([C@H](CNc2sccc2[N+](=O)[O-])N(C)C)cc1 ZINC000301977238 336340887 /nfs/dbraw/zinc/34/08/87/336340887.db2.gz DHYSVCQPLCCJRZ-AWEZNQCLSA-N 0 3 305.403 3.680 20 5 DHBDHN CC(C)CCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000514651270 336391420 /nfs/dbraw/zinc/39/14/20/336391420.db2.gz KTRJIYBABPGAQV-LBPRGKRZSA-N 0 3 304.394 3.776 20 5 DHBDHN C[C@H](NCCSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000354271703 336465141 /nfs/dbraw/zinc/46/51/41/336465141.db2.gz MITDUKIWMYLVET-VIFPVBQESA-N 0 3 308.325 3.541 20 5 DHBDHN CC[C@H](NCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358004855 336605729 /nfs/dbraw/zinc/60/57/29/336605729.db2.gz LIJHSODLOMQTIQ-KRWDZBQOSA-N 0 3 318.348 3.854 20 5 DHBDHN CC1(C)[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000374161738 336982703 /nfs/dbraw/zinc/98/27/03/336982703.db2.gz RAJAVWGXNBPQOX-DFBGVHRSSA-N 0 3 324.808 3.541 20 5 DHBDHN CC[C@@H](c1ccccc1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395218 337010338 /nfs/dbraw/zinc/01/03/38/337010338.db2.gz XBRYYSORHFZSSK-RDJZCZTQSA-N 0 3 314.389 3.580 20 5 DHBDHN C[C@@H](NCC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000375635266 337015251 /nfs/dbraw/zinc/01/52/51/337015251.db2.gz BOLPBWKOAWJCMX-CQSZACIVSA-N 0 3 311.385 3.762 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2CCOC2)CC1 ZINC000376342289 337031753 /nfs/dbraw/zinc/03/17/53/337031753.db2.gz WYHBZVCZAFDJEV-GOEBONIOSA-N 0 3 318.417 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000377406057 337052087 /nfs/dbraw/zinc/05/20/87/337052087.db2.gz XVRUCQUXOLYKES-QZTJIDSGSA-N 0 3 312.369 3.605 20 5 DHBDHN CSC1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000193656456 337078875 /nfs/dbraw/zinc/07/88/75/337078875.db2.gz XHGYBGLIRJBDLA-UHFFFAOYSA-N 0 3 318.398 3.840 20 5 DHBDHN CN1CC=C(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000392890370 337079722 /nfs/dbraw/zinc/07/97/22/337079722.db2.gz NMTPHXPMOUTETI-UHFFFAOYSA-N 0 3 316.188 3.575 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303894 337255831 /nfs/dbraw/zinc/25/58/31/337255831.db2.gz NCPGXAHHPSYLRK-CZUORRHYSA-N 0 3 312.369 3.558 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895864 337581280 /nfs/dbraw/zinc/58/12/80/337581280.db2.gz XFYGHCYMZAFUKN-BHYGNILZSA-N 0 3 316.401 3.519 20 5 DHBDHN C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122131640 337908462 /nfs/dbraw/zinc/90/84/62/337908462.db2.gz DFOBAJVBYGWPIH-KSSFIOAISA-N 0 3 313.401 3.548 20 5 DHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C(F)F ZINC000516190660 338006433 /nfs/dbraw/zinc/00/64/33/338006433.db2.gz CYEHVOSVKOKPJV-DCAQKATOSA-N 0 3 316.373 3.709 20 5 DHBDHN CCOc1cc(CN2CCC[C@@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000429290432 338076540 /nfs/dbraw/zinc/07/65/40/338076540.db2.gz GAHRSZYXGAJRFN-CQSZACIVSA-N 0 3 324.446 3.569 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414437 338080137 /nfs/dbraw/zinc/08/01/37/338080137.db2.gz XZBVZMOKQJLFNR-WBMJQRKESA-N 0 3 304.390 3.977 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccncc2)CC1 ZINC000429585429 338085348 /nfs/dbraw/zinc/08/53/48/338085348.db2.gz RIWMMGHFCNNSSU-CQSZACIVSA-N 0 3 311.385 3.930 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN(CC1CC1)CC1CCC1 ZINC000430236473 338102616 /nfs/dbraw/zinc/10/26/16/338102616.db2.gz BDEBAVVLUWOTRL-UHFFFAOYSA-N 0 3 304.390 3.616 20 5 DHBDHN CO[C@@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291688 338189600 /nfs/dbraw/zinc/18/96/00/338189600.db2.gz VCWYTBJIDAVQFY-HOTGVXAUSA-N 0 3 306.406 3.578 20 5 DHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCOc1ccccc1 ZINC000434991445 338229119 /nfs/dbraw/zinc/22/91/19/338229119.db2.gz MPSNZVYHSNCVTR-VQHVLOKHSA-N 0 3 312.369 3.619 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000435783138 338248994 /nfs/dbraw/zinc/24/89/94/338248994.db2.gz TUSPICSNFQVMQX-HDJSIYSDSA-N 0 3 300.333 3.770 20 5 DHBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000439127826 338361832 /nfs/dbraw/zinc/36/18/32/338361832.db2.gz LFZZKPRNANRYLU-YVEFUNNKSA-N 0 3 317.364 3.837 20 5 DHBDHN CCO[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194461938 338532365 /nfs/dbraw/zinc/53/23/65/338532365.db2.gz NUCCYQVZVURBMN-GOSISDBHSA-N 0 3 314.385 3.771 20 5 DHBDHN CCC1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446853256 338538759 /nfs/dbraw/zinc/53/87/59/338538759.db2.gz OQIGAWLROXVHQY-UHFFFAOYSA-N 0 3 302.378 3.530 20 5 DHBDHN CC1(C)C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598657 338561216 /nfs/dbraw/zinc/56/12/16/338561216.db2.gz IMCUFWSIOWHGAY-HZPDHXFCSA-N 0 3 318.417 3.908 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2O[C@H]1C ZINC000449329465 338613522 /nfs/dbraw/zinc/61/35/22/338613522.db2.gz OJXNYNIHRMFRAN-VBHSOAQHSA-N 0 3 312.369 3.638 20 5 DHBDHN COc1cc(CN[C@@H]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000451452637 338735110 /nfs/dbraw/zinc/73/51/10/338735110.db2.gz DQIOCWPUYCYIFE-OAHLLOKOSA-N 0 3 308.353 3.555 20 5 DHBDHN CCO[C@@H]1CCC[C@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453393635 338837099 /nfs/dbraw/zinc/83/70/99/338837099.db2.gz FLTODYGKUULKQL-BRWVUGGUSA-N 0 3 304.390 3.519 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459649956 339040332 /nfs/dbraw/zinc/04/03/32/339040332.db2.gz SDJHQQXEOKFGJV-AKAXFMLLSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccc(CN[C@@H]2C[C@H]2c2ccccc2F)cc1[N+](=O)[O-] ZINC000459659949 339041222 /nfs/dbraw/zinc/04/12/22/339041222.db2.gz SFVRMODBZXQCSE-GOEBONIOSA-N 0 3 300.333 3.688 20 5 DHBDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408268 339116784 /nfs/dbraw/zinc/11/67/84/339116784.db2.gz YLYCZPOUOGMXEL-VBNZEHGJSA-N 0 3 306.406 3.838 20 5 DHBDHN COc1cc(CN2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464482908 339143071 /nfs/dbraw/zinc/14/30/71/339143071.db2.gz BIJGWMBBNSXDRA-LBPRGKRZSA-N 0 3 310.369 3.611 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000467858547 339247881 /nfs/dbraw/zinc/24/78/81/339247881.db2.gz JYXSLMGXFRKUSK-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN CCOC[C@@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174963 339312926 /nfs/dbraw/zinc/31/29/26/339312926.db2.gz OIAINSPEFDPKPC-XBNGYDHASA-N 0 3 318.417 3.747 20 5 DHBDHN CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000470178296 339312999 /nfs/dbraw/zinc/31/29/99/339312999.db2.gz XZANNQXBTLLOBP-RVDMUPIBSA-N 0 3 311.385 3.915 20 5 DHBDHN CSC[C@H]1CCCN1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179517 339313164 /nfs/dbraw/zinc/31/31/64/339313164.db2.gz YFZCAROPLDTYHX-RCBBPTIPSA-N 0 3 306.431 3.826 20 5 DHBDHN CC1(C)C[C@@H](NCC2(C(F)F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000479451614 339535676 /nfs/dbraw/zinc/53/56/76/339535676.db2.gz KCOGACFZMHVCHW-CYBMUJFWSA-N 0 3 310.344 3.952 20 5 DHBDHN COc1ccc(-c2ccc(CNCC=C(C)C)o2)c([N+](=O)[O-])c1 ZINC000480305510 339568205 /nfs/dbraw/zinc/56/82/05/339568205.db2.gz FCLAKTHCWCQRJH-UHFFFAOYSA-N 0 3 316.357 3.919 20 5 DHBDHN CCC[C@H](NC[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249976 339627615 /nfs/dbraw/zinc/62/76/15/339627615.db2.gz PXCQMAVYCSWZMF-ROUUACIJSA-N 0 3 320.433 3.967 20 5 DHBDHN COCC1(C)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000500746160 340066418 /nfs/dbraw/zinc/06/64/18/340066418.db2.gz FHRGQOPPGFZVPZ-UHFFFAOYSA-N 0 3 320.433 3.967 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCCSCC)cc1[N+](=O)[O-] ZINC000502574490 340108108 /nfs/dbraw/zinc/10/81/08/340108108.db2.gz JYQOFODLXKEORD-GFCCVEGCSA-N 0 3 312.435 3.787 20 5 DHBDHN COc1ccccc1CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000505533893 340170523 /nfs/dbraw/zinc/17/05/23/340170523.db2.gz PPVVUIUBZVEHCW-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN O=[N+]([O-])c1ccccc1CCN[C@@H]1CCc2c1c(F)ccc2F ZINC000507813635 340232928 /nfs/dbraw/zinc/23/29/28/340232928.db2.gz KKWQQJTVKHSTRL-OAHLLOKOSA-N 0 3 318.323 3.693 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1CCCF ZINC000510735908 340308771 /nfs/dbraw/zinc/30/87/71/340308771.db2.gz MIVUIFGYQGHXCC-IUODEOHRSA-N 0 3 310.369 3.611 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1CCCF ZINC000510735910 340308852 /nfs/dbraw/zinc/30/88/52/340308852.db2.gz MIVUIFGYQGHXCC-SWLSCSKDSA-N 0 3 310.369 3.611 20 5 DHBDHN CCOCCN(CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512291173 340355728 /nfs/dbraw/zinc/35/57/28/340355728.db2.gz FSMDBZTZXYAEAX-UHFFFAOYSA-N 0 3 318.373 3.713 20 5 DHBDHN Cc1nc(C)c(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173402960 340364263 /nfs/dbraw/zinc/36/42/63/340364263.db2.gz MTXYMWUSMYNUTC-JTQLQIEISA-N 0 3 305.403 3.561 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000512697619 340373529 /nfs/dbraw/zinc/37/35/29/340373529.db2.gz CYSJWHUVBJRSJZ-GOEBONIOSA-N 0 3 311.385 3.842 20 5 DHBDHN C[C@H]1CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045951 340390609 /nfs/dbraw/zinc/39/06/09/340390609.db2.gz IFVNCBKBDKHHJZ-IINYFYTJSA-N 0 3 303.387 3.606 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@H]3CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056689 340391362 /nfs/dbraw/zinc/39/13/62/340391362.db2.gz KHGXSHLCMIQQMA-ABAIWWIYSA-N 0 3 316.357 3.752 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000513208971 340397326 /nfs/dbraw/zinc/39/73/26/340397326.db2.gz CVDBZLHVGUIMMX-NEPJUHHUSA-N 0 3 310.357 3.883 20 5 DHBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513208974 340397384 /nfs/dbraw/zinc/39/73/84/340397384.db2.gz CVDBZLHVGUIMMX-VXGBXAGGSA-N 0 3 310.357 3.883 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCc2c(O)cccc21 ZINC000191661116 340557064 /nfs/dbraw/zinc/55/70/64/340557064.db2.gz ZHEDPFJNMFEJAR-QQOXCAACSA-N 0 3 324.380 3.981 20 5 DHBDHN C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000537982086 340795301 /nfs/dbraw/zinc/79/53/01/340795301.db2.gz JWVHQWXZVRPXNH-GFCCVEGCSA-N 0 3 305.403 3.725 20 5 DHBDHN CC1(C)CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539599921 340891878 /nfs/dbraw/zinc/89/18/78/340891878.db2.gz KJFIAWSINQQADX-NSHDSACASA-N 0 3 314.332 3.865 20 5 DHBDHN CCc1cnc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000130282863 341013084 /nfs/dbraw/zinc/01/30/84/341013084.db2.gz XKIDMNYLZWZLET-GFCCVEGCSA-N 0 3 319.430 3.815 20 5 DHBDHN CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000544468026 341083426 /nfs/dbraw/zinc/08/34/26/341083426.db2.gz AIWUTBZGPZTZDJ-UHFFFAOYSA-N 0 3 306.387 3.560 20 5 DHBDHN COc1ccc(C)cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548934652 341281541 /nfs/dbraw/zinc/28/15/41/341281541.db2.gz MWTUCAKXNHPVKV-UHFFFAOYSA-N 0 3 314.385 3.586 20 5 DHBDHN CN(CCCOc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934612 341281619 /nfs/dbraw/zinc/28/16/19/341281619.db2.gz LZODJTUCKSNOAI-UHFFFAOYSA-N 0 3 314.385 3.538 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)c(F)c1 ZINC000549407704 341293542 /nfs/dbraw/zinc/29/35/42/341293542.db2.gz IKZYSEABWOIOQD-UHFFFAOYSA-N 0 3 324.302 3.687 20 5 DHBDHN Cc1ccnc([C@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000552062438 341366406 /nfs/dbraw/zinc/36/64/06/341366406.db2.gz XNCKUYIWLOCQIC-HNNXBMFYSA-N 0 3 313.401 3.972 20 5 DHBDHN COc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1 ZINC000573020690 341713791 /nfs/dbraw/zinc/71/37/91/341713791.db2.gz TUMNFDBKRRCIQI-QGZVFWFLSA-N 0 3 312.369 3.689 20 5 DHBDHN Cc1c(CNCc2c[nH]nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000336878968 341809888 /nfs/dbraw/zinc/80/98/88/341809888.db2.gz KEVYMVMVOWDKHT-UHFFFAOYSA-N 0 3 322.368 3.583 20 5 DHBDHN CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000183026838 519662981 /nfs/dbraw/zinc/66/29/81/519662981.db2.gz PBTUEULTSZRZOA-UHFFFAOYSA-N 0 3 303.362 3.869 20 5 DHBDHN CC(C)OC[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000337269262 519770700 /nfs/dbraw/zinc/77/07/00/519770700.db2.gz YPPCCRNWYUUEOP-SNVBAGLBSA-N 0 3 320.311 3.517 20 5 DHBDHN CC[C@@H](NC[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157680313 522849663 /nfs/dbraw/zinc/84/96/63/522849663.db2.gz WODISNFGBDWEFN-IAGOWNOFSA-N 0 3 318.348 3.508 20 5 DHBDHN Cc1ccc(CN[C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000353101570 524594238 /nfs/dbraw/zinc/59/42/38/524594238.db2.gz NXBQZGILWAKUFM-LBPRGKRZSA-N 0 3 310.357 3.630 20 5 DHBDHN COc1ccccc1[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000158055933 524814773 /nfs/dbraw/zinc/81/47/73/524814773.db2.gz DODQDKMVKUETFV-HNNXBMFYSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813835 525476061 /nfs/dbraw/zinc/47/60/61/525476061.db2.gz GYHBSXKKIMTWED-BDJLRTHQSA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819510 525643429 /nfs/dbraw/zinc/64/34/29/525643429.db2.gz YQJIUDWZZKNLIY-GDBMZVCRSA-N 0 3 311.385 3.524 20 5 DHBDHN Cc1c(CN2CCC(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000191639945 525706454 /nfs/dbraw/zinc/70/64/54/525706454.db2.gz NWIHINSHCLFTBH-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2CCCO2)CC1 ZINC000189249459 526087720 /nfs/dbraw/zinc/08/77/20/526087720.db2.gz VWNSOCZWFPHKEW-KDOFPFPSSA-N 0 3 318.417 3.855 20 5 DHBDHN CCOC1CC2(C1)CCN([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000285638711 535400112 /nfs/dbraw/zinc/40/01/12/535400112.db2.gz ZELVNJXGBQDDBP-NVPAJSRCSA-N 0 3 304.390 3.547 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2ccccc2)cs1 ZINC000054173445 1013250962 /nfs/dbraw/zinc/25/09/62/1013250962.db2.gz LZVTUEWGPBQAND-OAHLLOKOSA-N 0 3 302.399 3.863 20 5 DHBDHN COCC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000341339810 1015208310 /nfs/dbraw/zinc/20/83/10/1015208310.db2.gz AXKZDXKMAZAMKB-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCCCS2)c1 ZINC000157916687 1015283808 /nfs/dbraw/zinc/28/38/08/1015283808.db2.gz UZUPAXJNVBXGIX-GFCCVEGCSA-N 0 3 300.811 3.624 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000610811065 1015853435 /nfs/dbraw/zinc/85/34/35/1015853435.db2.gz IBPHUIOSVXTSGY-HNNXBMFYSA-N 0 3 318.760 3.514 20 5 DHBDHN CC(C)(C)OCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000610864876 1015902365 /nfs/dbraw/zinc/90/23/65/1015902365.db2.gz SPBHFIPNBQVTAH-UHFFFAOYSA-N 0 3 306.406 3.764 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2c2ccsc2)cc1 ZINC000065534699 1016213032 /nfs/dbraw/zinc/21/30/32/1016213032.db2.gz QMGAZWGUDADLTN-MRXNPFEDSA-N 0 3 318.398 3.872 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCc2cccc(F)c2)c1 ZINC000036778527 1032601961 /nfs/dbraw/zinc/60/19/61/1032601961.db2.gz PTEMXURTQPCXHN-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN C[C@H]1CCC[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083211607 1017637684 /nfs/dbraw/zinc/63/76/84/1017637684.db2.gz DAQCJAZQPZROGH-RYUDHWBXSA-N 0 3 303.362 3.747 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000765305427 1018751622 /nfs/dbraw/zinc/75/16/22/1018751622.db2.gz PFVWJVUIQUNRJI-UONOGXRCSA-N 0 3 314.385 3.807 20 5 DHBDHN CC(C)(C)OCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000710112133 1018850210 /nfs/dbraw/zinc/85/02/10/1018850210.db2.gz GASTZIWXCXMUQL-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCCC2)O1 ZINC000584104263 1018956837 /nfs/dbraw/zinc/95/68/37/1018956837.db2.gz FVVPJEFIFLMPTK-INIZCTEOSA-N 0 3 318.417 3.561 20 5 DHBDHN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC000921553422 1019048989 /nfs/dbraw/zinc/04/89/89/1019048989.db2.gz UCVWACVVXIWUQM-OLZOCXBDSA-N 0 3 312.369 3.769 20 5 DHBDHN CCCO[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255356027 1019406752 /nfs/dbraw/zinc/40/67/52/1019406752.db2.gz VJOCPNJQWAXQGF-CTEOGUNLSA-N 0 3 318.417 3.889 20 5 DHBDHN CCCO[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255356023 1019407278 /nfs/dbraw/zinc/40/72/78/1019407278.db2.gz VJOCPNJQWAXQGF-AFCDSYGPSA-N 0 3 318.417 3.889 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CC2)CC1 ZINC000611177645 1019407655 /nfs/dbraw/zinc/40/76/55/1019407655.db2.gz PZLZINUXUHFKPJ-UHFFFAOYSA-N 0 3 304.390 3.758 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](c1ccccn1)C1CC1 ZINC000922585522 1020143180 /nfs/dbraw/zinc/14/31/80/1020143180.db2.gz GHTRGRKKVSTJRR-SUQGKYDKSA-N 0 3 309.369 3.744 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](c1ccccn1)C1CC1 ZINC000922585516 1020144123 /nfs/dbraw/zinc/14/41/23/1020144123.db2.gz GHTRGRKKVSTJRR-FZMUQLTDSA-N 0 3 309.369 3.744 20 5 DHBDHN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000922673704 1020208013 /nfs/dbraw/zinc/20/80/13/1020208013.db2.gz QHLNVZLBHLYFEO-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC2(F)F)c(Cl)c1 ZINC000390906308 1020235099 /nfs/dbraw/zinc/23/50/99/1020235099.db2.gz RWQQKNRBBKNJTE-SNVBAGLBSA-N 0 3 304.724 3.773 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000922731599 1020243430 /nfs/dbraw/zinc/24/34/30/1020243430.db2.gz DJIYULKTGHCTHD-OIBJUYFYSA-N 0 3 308.687 3.536 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000451963647 1020463208 /nfs/dbraw/zinc/46/32/08/1020463208.db2.gz HTBWHROUPGRXLH-CZUORRHYSA-N 0 3 306.431 3.875 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2CCOC3(CCCCC3)C2)cs1 ZINC000136734500 1020627211 /nfs/dbraw/zinc/62/72/11/1020627211.db2.gz JMBIOCCDEQHQTG-ZDUSSCGKSA-N 0 3 310.419 3.628 20 5 DHBDHN CSCC[C@H](C)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122664213 1021924364 /nfs/dbraw/zinc/92/43/64/1021924364.db2.gz GARCYVSVLRVCKD-JTQLQIEISA-N 0 3 302.827 3.822 20 5 DHBDHN CN(Cc1cccc(Cl)c1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035288 1022222768 /nfs/dbraw/zinc/22/27/68/1022222768.db2.gz KARLPOILWUESCC-CMPLNLGQSA-N 0 3 317.216 3.871 20 5 DHBDHN C[C@H](N)c1ccn(-c2nc3c(ccc4ccccc43)nc2Cl)n1 ZINC001169231988 1022317251 /nfs/dbraw/zinc/31/72/51/1022317251.db2.gz YFYCWOJVZZCNTI-JTQLQIEISA-N 0 3 323.787 3.642 20 5 DHBDHN C[C@@H]1C[C@H](C)[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000616123416 1022646905 /nfs/dbraw/zinc/64/69/05/1022646905.db2.gz GCXDAYOQMNJFAX-GRYCIOLGSA-N 0 3 303.362 3.602 20 5 DHBDHN C[C@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304035 1022688498 /nfs/dbraw/zinc/68/84/98/1022688498.db2.gz JEEDWCOFJKXKCS-MEDUHNTESA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637931 1023917748 /nfs/dbraw/zinc/91/77/48/1023917748.db2.gz CGBKBQIBNDLUFE-QFYYESIMSA-N 0 3 315.348 3.654 20 5 DHBDHN COc1ccc(CN(C)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000051650299 1024324743 /nfs/dbraw/zinc/32/47/43/1024324743.db2.gz ZXOYHSCEOQLEEM-INIZCTEOSA-N 0 3 312.369 3.723 20 5 DHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccoc1 ZINC000349250022 1024692636 /nfs/dbraw/zinc/69/26/36/1024692636.db2.gz XQCZOHRZLYZVMV-CYBMUJFWSA-N 0 3 306.387 3.848 20 5 DHBDHN CCC(C)(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113331769 1024796602 /nfs/dbraw/zinc/79/66/02/1024796602.db2.gz MDKJZGLLCLOIJS-UHFFFAOYSA-N 0 3 305.403 3.997 20 5 DHBDHN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000792862128 1024808039 /nfs/dbraw/zinc/80/80/39/1024808039.db2.gz JPSSHJUFZBFSTL-UHFFFAOYSA-N 0 3 307.350 3.658 20 5 DHBDHN CCCCO[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236853573 1025059479 /nfs/dbraw/zinc/05/94/79/1025059479.db2.gz ORBQDBPNWSNFIF-QWHCGFSZSA-N 0 3 312.435 3.730 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000886247573 1025570714 /nfs/dbraw/zinc/57/07/14/1025570714.db2.gz VFERHJQNJJICRG-KRWDZBQOSA-N 0 3 323.396 3.760 20 5 DHBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000886242932 1025571414 /nfs/dbraw/zinc/57/14/14/1025571414.db2.gz JFHBCQPONVHVNI-SJORKVTESA-N 0 3 311.385 3.758 20 5 DHBDHN CO[C@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000076347837 1025865921 /nfs/dbraw/zinc/86/59/21/1025865921.db2.gz KRUDQKLCGHVLPN-INIZCTEOSA-N 0 3 323.392 3.557 20 5 DHBDHN Cc1ccc(CN2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000289727901 1026149088 /nfs/dbraw/zinc/14/90/88/1026149088.db2.gz HQCBSGMSQGOXNP-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000513483093 1026518549 /nfs/dbraw/zinc/51/85/49/1026518549.db2.gz AVHOERNMVHULDB-HNNXBMFYSA-N 0 3 300.333 3.723 20 5 DHBDHN C[C@]1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000811483560 1027009078 /nfs/dbraw/zinc/00/90/78/1027009078.db2.gz HNQMJAQZTQWKEO-CYBMUJFWSA-N 0 3 319.188 3.560 20 5 DHBDHN CCCCOC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000362449646 1027211340 /nfs/dbraw/zinc/21/13/40/1027211340.db2.gz HWQZAICJEFLGAA-UHFFFAOYSA-N 0 3 306.406 3.684 20 5 DHBDHN Cc1ccc([C@H](C)NCc2ccc3cnn(C)c3c2)cc1[N+](=O)[O-] ZINC000562280727 1027342520 /nfs/dbraw/zinc/34/25/20/1027342520.db2.gz PAURQLQANCGDBM-ZDUSSCGKSA-N 0 3 324.384 3.641 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2ccccn2)CC1 ZINC000363875657 1027766954 /nfs/dbraw/zinc/76/69/54/1027766954.db2.gz MMHZOYPEUAUOBN-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1cc([C@@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000364017064 1027796504 /nfs/dbraw/zinc/79/65/04/1027796504.db2.gz ZFTSMRXURVFKBI-UKRRQHHQSA-N 0 3 314.389 3.567 20 5 DHBDHN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000601285030 1028059103 /nfs/dbraw/zinc/05/91/03/1028059103.db2.gz LRXOIMMVXLHGCA-QBIMZIAESA-N 0 3 312.369 3.776 20 5 DHBDHN C[C@H](NCc1cccc2c1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000601305106 1028071969 /nfs/dbraw/zinc/07/19/69/1028071969.db2.gz VEADZAFPDFZZOV-ZDUSSCGKSA-N 0 3 312.369 3.518 20 5 DHBDHN COc1cccc(CCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000579300683 1028376421 /nfs/dbraw/zinc/37/64/21/1028376421.db2.gz UNISPPWRZVOMAV-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN Cc1cnc([C@@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174042 1028415975 /nfs/dbraw/zinc/41/59/75/1028415975.db2.gz GZKMDQQQBVERNH-ZYHUDNBSSA-N 0 3 305.403 3.642 20 5 DHBDHN Cc1ccnc([C@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582345 1028478508 /nfs/dbraw/zinc/47/85/08/1028478508.db2.gz CCPPDSMJDDGQQH-CABCVRRESA-N 0 3 311.385 3.849 20 5 DHBDHN C[C@H]1CCCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187961809 1028487921 /nfs/dbraw/zinc/48/79/21/1028487921.db2.gz VUNDXRQOUZSHHU-ZDUSSCGKSA-N 0 3 315.373 3.872 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000565216568 1028556659 /nfs/dbraw/zinc/55/66/59/1028556659.db2.gz KGGKUUWFSYJHCU-SJORKVTESA-N 0 3 312.344 3.998 20 5 DHBDHN Cc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571298 1028564909 /nfs/dbraw/zinc/56/49/09/1028564909.db2.gz ZXGGBQZIGFIYQQ-YVEFUNNKSA-N 0 3 311.385 3.824 20 5 DHBDHN COc1ccc(-c2ccc(CN3C[C@H](C)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646675 1028973570 /nfs/dbraw/zinc/97/35/70/1028973570.db2.gz HMJTWMZIHJDPJW-NWDGAFQWSA-N 0 3 316.357 3.704 20 5 DHBDHN C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496972 1029140368 /nfs/dbraw/zinc/14/03/68/1029140368.db2.gz YOAYCJKEDSDQFX-KNXALSJPSA-N 0 3 300.333 3.941 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ccncc2)C1 ZINC000451000646 1029763101 /nfs/dbraw/zinc/76/31/01/1029763101.db2.gz GGZPZANJVSZHBU-GDBMZVCRSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCC(F)(F)F)C2)cc1 ZINC000451547284 1029913894 /nfs/dbraw/zinc/91/38/94/1029913894.db2.gz LBFHNNHLLHCBIV-GFCCVEGCSA-N 0 3 302.296 3.727 20 5 DHBDHN C[C@]1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCOC1 ZINC000357345208 1030008277 /nfs/dbraw/zinc/00/82/77/1030008277.db2.gz NRSTWMLBAMECOL-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(Cl)cn1 ZINC000866313782 1030223453 /nfs/dbraw/zinc/22/34/53/1030223453.db2.gz HPDATHGKIMRPAA-JTQLQIEISA-N 0 3 323.755 3.503 20 5 DHBDHN Cc1scc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000866430040 1030294862 /nfs/dbraw/zinc/29/48/62/1030294862.db2.gz QQAQOYDKRYVDTF-SNVBAGLBSA-N 0 3 305.403 3.706 20 5 DHBDHN CC1(C)SC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000558792061 1030809851 /nfs/dbraw/zinc/80/98/51/1030809851.db2.gz YKDGXEXADLAJBQ-HNNXBMFYSA-N 0 3 318.398 3.838 20 5 DHBDHN CCC(CC)(CCO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039221 1031423660 /nfs/dbraw/zinc/42/36/60/1031423660.db2.gz DQFZBONLAWGAHR-LBPRGKRZSA-N 0 3 312.385 3.573 20 5 DHBDHN C[C@H](NCCC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063576 1031458097 /nfs/dbraw/zinc/45/80/97/1031458097.db2.gz XSFGVJWRCRKKPR-STQMWFEESA-N 0 3 310.369 3.734 20 5 DHBDHN Cc1cnc([C@H](C)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063222 1031458713 /nfs/dbraw/zinc/45/87/13/1031458713.db2.gz VHJHZNBJWYAEBX-MWLCHTKSSA-N 0 3 323.393 3.953 20 5 DHBDHN C[C@@H](NCCC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063573 1031459259 /nfs/dbraw/zinc/45/92/59/1031459259.db2.gz XSFGVJWRCRKKPR-CHWSQXEVSA-N 0 3 310.369 3.734 20 5 DHBDHN C[C@H](N[C@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068960 1031465213 /nfs/dbraw/zinc/46/52/13/1031465213.db2.gz KDRIQJDWXIBPTA-WFASDCNBSA-N 0 3 322.380 3.734 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)CC1CCC1 ZINC000872070254 1031465310 /nfs/dbraw/zinc/46/53/10/1031465310.db2.gz YHDQOXRVCLZGLE-AAEUAGOBSA-N 0 3 324.446 3.518 20 5 DHBDHN C[C@H](NCCC1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069897 1031465574 /nfs/dbraw/zinc/46/55/74/1031465574.db2.gz RJLCCYRMTVBVRD-UPJWGTAASA-N 0 3 324.396 3.978 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1COC2(CCC2)C1 ZINC000872083814 1031479240 /nfs/dbraw/zinc/47/92/40/1031479240.db2.gz ALCNRQDXXCHZQV-VXGBXAGGSA-N 0 3 322.430 3.679 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1COC(C)(C)C1 ZINC000872084067 1031481619 /nfs/dbraw/zinc/48/16/19/1031481619.db2.gz GHIACKLZGBIKNS-GHMZBOCLSA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943274 1031712130 /nfs/dbraw/zinc/71/21/30/1031712130.db2.gz YTNCNTCLVMQOSO-HWPZZCPQSA-N 0 3 315.348 3.654 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875314 1031747750 /nfs/dbraw/zinc/74/77/50/1031747750.db2.gz BBUGCOVQCUQGLO-YZOIGVHSSA-N 0 3 321.348 3.511 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875308 1031749388 /nfs/dbraw/zinc/74/93/88/1031749388.db2.gz BBUGCOVQCUQGLO-BWPSIRRCSA-N 0 3 321.348 3.511 20 5 DHBDHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845879405 1031751432 /nfs/dbraw/zinc/75/14/32/1031751432.db2.gz USIXOPWFFCRJPF-NHYWBVRUSA-N 0 3 321.304 3.599 20 5 DHBDHN Cc1sccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882687 1031754483 /nfs/dbraw/zinc/75/44/83/1031754483.db2.gz PTFJQNQFGSYBIR-XPTSAGLGSA-N 0 3 323.345 3.759 20 5 DHBDHN CCc1occc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882403 1031754570 /nfs/dbraw/zinc/75/45/70/1031754570.db2.gz OSEPGCMCMADOBF-ZUZCIYMTSA-N 0 3 321.304 3.544 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](c1ccncc1)C1CC1 ZINC000898321593 1032019689 /nfs/dbraw/zinc/01/96/89/1032019689.db2.gz SWTNKFXFNVAEIT-WMZOPIPTSA-N 0 3 309.369 3.718 20 5 DHBDHN CCCCN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777955694 1032038208 /nfs/dbraw/zinc/03/82/08/1032038208.db2.gz XQOGYGJKHUYIKI-UHFFFAOYSA-N 0 3 314.389 3.680 20 5 DHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@]12C[C@@H]1CCCC2 ZINC000877686817 1033412703 /nfs/dbraw/zinc/41/27/03/1033412703.db2.gz YXVRFAXSCOADBR-NVGCLXPQSA-N 0 3 315.373 3.794 20 5 DHBDHN CCc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000478353519 1033460462 /nfs/dbraw/zinc/46/04/62/1033460462.db2.gz CXFKUNZWIGPIRS-UHFFFAOYSA-N 0 3 308.765 3.736 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC3(CCC3)C2)c1F ZINC001173195163 1033587565 /nfs/dbraw/zinc/58/75/65/1033587565.db2.gz CNVGUAIOLNCWTJ-GFCCVEGCSA-N 0 3 322.380 3.550 20 5 DHBDHN CC[C@H](C)CN(CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878164310 1033602768 /nfs/dbraw/zinc/60/27/68/1033602768.db2.gz IWOXXPRGTPZVFK-LBPRGKRZSA-N 0 3 318.377 3.513 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)cc2C1 ZINC001173234638 1033608440 /nfs/dbraw/zinc/60/84/40/1033608440.db2.gz SXLZGHFYZGUMEN-CYBMUJFWSA-N 0 3 314.360 3.723 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(F)cc1F ZINC001173233834 1033608555 /nfs/dbraw/zinc/60/85/55/1033608555.db2.gz ZNGVXTROUYHAJD-GFCCVEGCSA-N 0 3 320.339 3.936 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(F)cc1F ZINC001173233835 1033609309 /nfs/dbraw/zinc/60/93/09/1033609309.db2.gz ZNGVXTROUYHAJD-LBPRGKRZSA-N 0 3 320.339 3.936 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2nc1[C@H](C)N ZINC001173211413 1033614743 /nfs/dbraw/zinc/61/47/43/1033614743.db2.gz RUPNHXLHBLATFY-OLZOCXBDSA-N 0 3 324.384 3.768 20 5 DHBDHN C[C@@H]1Oc2ccccc2[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000554721570 1034288288 /nfs/dbraw/zinc/28/82/88/1034288288.db2.gz CYNVRMYUKODVMH-UMWAGIMTSA-N 0 3 310.353 3.720 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nccs2)C1 ZINC000880313429 1034292383 /nfs/dbraw/zinc/29/23/83/1034292383.db2.gz AOTWRBKIPQUURG-AAEUAGOBSA-N 0 3 303.387 3.602 20 5 DHBDHN Cc1c(CN[C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000179749928 1034333970 /nfs/dbraw/zinc/33/39/70/1034333970.db2.gz HFWXJLUWOQQLBH-KRWDZBQOSA-N 0 3 314.385 3.507 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OCC(C)C)CC1 ZINC000183293204 1034372973 /nfs/dbraw/zinc/37/29/73/1034372973.db2.gz NVYTYMLSILALTN-UHFFFAOYSA-N 0 3 306.406 3.540 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000539530066 1035772466 /nfs/dbraw/zinc/77/24/66/1035772466.db2.gz AHROKPBRKHRIAT-GFCCVEGCSA-N 0 3 310.357 3.630 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000539530066 1035772478 /nfs/dbraw/zinc/77/24/78/1035772478.db2.gz AHROKPBRKHRIAT-GFCCVEGCSA-N 0 3 310.357 3.630 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1C1CCOCC1 ZINC000494819097 1036049929 /nfs/dbraw/zinc/04/99/29/1036049929.db2.gz AEBVQPZYTGZZNS-OAHLLOKOSA-N 0 3 324.808 3.639 20 5 DHBDHN CC1(C)C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540599977 1036110656 /nfs/dbraw/zinc/11/06/56/1036110656.db2.gz XBCCZFYVDUZIFG-LBPRGKRZSA-N 0 3 317.414 3.854 20 5 DHBDHN CCc1cnccc1[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000540651411 1036125567 /nfs/dbraw/zinc/12/55/67/1036125567.db2.gz AHYOKRVTGOYLFZ-IQCBXXCUSA-N 0 3 311.385 3.916 20 5 DHBDHN CCOC[C@H]1CCCCN1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001182283602 1036179263 /nfs/dbraw/zinc/17/92/63/1036179263.db2.gz BOADMHLMOQRSGI-OAHLLOKOSA-N 0 3 306.406 3.603 20 5 DHBDHN COc1cc(CN[C@H](c2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000541582368 1036366071 /nfs/dbraw/zinc/36/60/71/1036366071.db2.gz VHOPDIZFTAJHMX-INIZCTEOSA-N 0 3 318.398 3.906 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3C[C@@H]3C3CCCC3)nc2c1 ZINC001184388399 1036831871 /nfs/dbraw/zinc/83/18/71/1036831871.db2.gz QDCAGYVGQAHVDM-GXTWGEPZSA-N 0 3 315.373 3.652 20 5 DHBDHN C[C@]12CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252347 1036987196 /nfs/dbraw/zinc/98/71/96/1036987196.db2.gz RFCDBCMXTXJDLL-MAQMMGONSA-N 0 3 304.365 3.602 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(CC[C@@H]2CCCCO2)C2CC2)c1 ZINC000347433047 1037194120 /nfs/dbraw/zinc/19/41/20/1037194120.db2.gz GJMVEDMJIVBBGT-KRWDZBQOSA-N 0 3 304.390 3.518 20 5 DHBDHN Cc1cccc(OCCNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761516995 1037342069 /nfs/dbraw/zinc/34/20/69/1037342069.db2.gz PHEHLRKUGPWTLF-UHFFFAOYSA-N 0 3 320.776 3.725 20 5 DHBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000917041072 1038122983 /nfs/dbraw/zinc/12/29/83/1038122983.db2.gz YBOXJZKEXUXTGD-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@H](CN(C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001190809487 1038379152 /nfs/dbraw/zinc/37/91/52/1038379152.db2.gz KFUMGFAGFXZAIV-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN CC[C@@H]1CCCCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502097 1038487943 /nfs/dbraw/zinc/48/79/43/1038487943.db2.gz LWVYGEQTMWDFPE-OAHLLOKOSA-N 0 3 320.389 3.536 20 5 DHBDHN CC(C)(NC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000775535895 1038674560 /nfs/dbraw/zinc/67/45/60/1038674560.db2.gz FLIXUWRODDVHIX-JTQLQIEISA-N 0 3 303.189 3.613 20 5 DHBDHN CC(C)c1ccc(CN2CCC([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593675641 1039037307 /nfs/dbraw/zinc/03/73/07/1039037307.db2.gz ADLGATBDGQAJJZ-CQSZACIVSA-N 0 3 320.433 3.559 20 5 DHBDHN CC(C)c1ccc(CN[C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593681730 1039050648 /nfs/dbraw/zinc/05/06/48/1039050648.db2.gz IFLWRGNVYYRHRO-ZDUSSCGKSA-N 0 3 306.406 3.623 20 5 DHBDHN Cc1c(CN(C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836721 1039175182 /nfs/dbraw/zinc/17/51/82/1039175182.db2.gz MSCFJDDIPVKXNM-UHFFFAOYSA-N 0 3 318.348 3.553 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](OC2CCC2)C1 ZINC000594027745 1039956694 /nfs/dbraw/zinc/95/66/94/1039956694.db2.gz ZFXLKPYNJPRCOU-YOEHRIQHSA-N 0 3 318.417 3.998 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)c1nccs1 ZINC000595031488 1040039008 /nfs/dbraw/zinc/03/90/08/1040039008.db2.gz HNDHXQGQIWHGST-GHMZBOCLSA-N 0 3 321.402 3.514 20 5 DHBDHN COCc1csc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000595077056 1040068862 /nfs/dbraw/zinc/06/88/62/1040068862.db2.gz LDEHIRFANXGIHM-LBPRGKRZSA-N 0 3 320.414 3.962 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349744 1040104395 /nfs/dbraw/zinc/10/43/95/1040104395.db2.gz DVCWICRVJZNGHQ-GFCCVEGCSA-N 0 3 318.348 3.503 20 5 DHBDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349745 1040105656 /nfs/dbraw/zinc/10/56/56/1040105656.db2.gz DVCWICRVJZNGHQ-LBPRGKRZSA-N 0 3 318.348 3.503 20 5 DHBDHN Cc1noc(CN[C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451391 1040144812 /nfs/dbraw/zinc/14/48/12/1040144812.db2.gz XKXFNWDCYUWDCV-LSDHHAIUSA-N 0 3 315.373 3.707 20 5 DHBDHN CC[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000595765765 1040234588 /nfs/dbraw/zinc/23/45/88/1040234588.db2.gz NWBQFBZZCQJJBA-HNNXBMFYSA-N 0 3 301.346 3.528 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCO2)CC1 ZINC000595784472 1040254886 /nfs/dbraw/zinc/25/48/86/1040254886.db2.gz ABQGKRVGNJACAH-KDOFPFPSSA-N 0 3 318.417 3.937 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650651 1040539103 /nfs/dbraw/zinc/53/91/03/1040539103.db2.gz JCTATWGIFSBRKM-YVEFUNNKSA-N 0 3 311.385 3.824 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCCC3=CCCCC3)nc2c1 ZINC000602504300 1041072801 /nfs/dbraw/zinc/07/28/01/1041072801.db2.gz UDWFOPOVGGHPPL-UHFFFAOYSA-N 0 3 301.346 3.716 20 5 DHBDHN Cc1c(CN2CCC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000602851619 1041262533 /nfs/dbraw/zinc/26/25/33/1041262533.db2.gz BAPSMPQYJZDLAD-KRWDZBQOSA-N 0 3 311.385 3.678 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](c4ccccc4)C3)nc2c1 ZINC000083169746 185215538 /nfs/dbraw/zinc/21/55/38/185215538.db2.gz NEOQLJFXSOUUMG-CQSZACIVSA-N 0 3 323.352 3.726 20 5 DHBDHN CC[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072684878 191213797 /nfs/dbraw/zinc/21/37/97/191213797.db2.gz HCYKVGVQRBOXNQ-OAHLLOKOSA-N 0 3 305.403 3.509 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000272670466 130051837 /nfs/dbraw/zinc/05/18/37/130051837.db2.gz SXBVOQXIPSTQLC-JTQLQIEISA-N 0 3 323.755 3.676 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000274814222 130263646 /nfs/dbraw/zinc/26/36/46/130263646.db2.gz YNDZPLWDUWFJGX-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228050 131149425 /nfs/dbraw/zinc/14/94/25/131149425.db2.gz PCUUHKFLHINMCH-QLJPJBMISA-N 0 3 315.348 3.654 20 5 DHBDHN COCc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119573661 132134518 /nfs/dbraw/zinc/13/45/18/132134518.db2.gz MJCVPZPUWDKVSZ-ZDUSSCGKSA-N 0 3 300.358 3.592 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCc2cc(F)ccc21 ZINC000584302233 332230400 /nfs/dbraw/zinc/23/04/00/332230400.db2.gz XDKTZIBBLGFRHX-IAGOWNOFSA-N 0 3 312.344 3.998 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC12CCCC2 ZINC000559753198 332279182 /nfs/dbraw/zinc/27/91/82/332279182.db2.gz XQNKWOAFBHSSDV-INIZCTEOSA-N 0 3 304.390 3.806 20 5 DHBDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000151030353 332484071 /nfs/dbraw/zinc/48/40/71/332484071.db2.gz QZSCZBLISMPRMM-DIFFPNOSSA-N 0 3 300.333 3.757 20 5 DHBDHN C[C@H](NCCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180941072 333028896 /nfs/dbraw/zinc/02/88/96/333028896.db2.gz LHKVUCAIZBDKNT-AWEZNQCLSA-N 0 3 300.358 3.715 20 5 DHBDHN COCCCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181496553 333030402 /nfs/dbraw/zinc/03/04/02/333030402.db2.gz NLLAGUBUIKPRSJ-UHFFFAOYSA-N 0 3 303.362 3.680 20 5 DHBDHN CC(C)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000497814752 333296007 /nfs/dbraw/zinc/29/60/07/333296007.db2.gz ZGOSBVRNIGAXPJ-QGZVFWFLSA-N 0 3 317.364 3.658 20 5 DHBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CCCN1Cc1ccccc1 ZINC000390705829 333316312 /nfs/dbraw/zinc/31/63/12/333316312.db2.gz QBZDVPBCBACICG-MRXNPFEDSA-N 0 3 311.385 3.671 20 5 DHBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000365015579 333334461 /nfs/dbraw/zinc/33/44/61/333334461.db2.gz COBYBFWUWSFTJT-QGZVFWFLSA-N 0 3 311.385 3.542 20 5 DHBDHN COc1ccc(-c2ccc(CNC3CC(C)C3)o2)c([N+](=O)[O-])c1 ZINC000531445205 333354188 /nfs/dbraw/zinc/35/41/88/333354188.db2.gz ALQOWZYBQHDHPH-UHFFFAOYSA-N 0 3 316.357 3.752 20 5 DHBDHN CCOC1(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000319880846 333414678 /nfs/dbraw/zinc/41/46/78/333414678.db2.gz XHSBTCUUCOMUNA-CQSZACIVSA-N 0 3 306.406 3.903 20 5 DHBDHN CC(C)O[C@H]1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414152275 333903881 /nfs/dbraw/zinc/90/38/81/333903881.db2.gz XHQXRAAUJXOGJO-LXZKKBNFSA-N 0 3 304.390 3.518 20 5 DHBDHN COC1([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293669 333934859 /nfs/dbraw/zinc/93/48/59/333934859.db2.gz BRMJFLNRQDSVOP-BLLLJJGKSA-N 0 3 304.390 3.519 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNc1ccc(CN(C)C)cc1F ZINC000414496251 333997434 /nfs/dbraw/zinc/99/74/34/333997434.db2.gz IGZSPMDFGLHKRO-UHFFFAOYSA-N 0 3 317.364 3.716 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1C[C@H]1c1ccccc1F ZINC000571655633 334073504 /nfs/dbraw/zinc/07/35/04/334073504.db2.gz NSFYPWSOAFIJJA-USXIJHARSA-N 0 3 312.344 3.867 20 5 DHBDHN C[C@H](NCCOC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000531969469 334327860 /nfs/dbraw/zinc/32/78/60/334327860.db2.gz KHBFWMJIBYIPCM-AWEZNQCLSA-N 0 3 306.406 3.985 20 5 DHBDHN CN(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000341339851 334431693 /nfs/dbraw/zinc/43/16/93/334431693.db2.gz IDZZYKUEAYUCKN-LBPRGKRZSA-N 0 3 309.366 3.510 20 5 DHBDHN CS[C@H]1CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343274 334803729 /nfs/dbraw/zinc/80/37/29/334803729.db2.gz RMWGKUYQTQMVBV-NEPJUHHUSA-N 0 3 320.336 3.597 20 5 DHBDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000345696614 335342636 /nfs/dbraw/zinc/34/26/36/335342636.db2.gz VZTMCMWOECJBGY-PXAZEXFGSA-N 0 3 318.348 3.600 20 5 DHBDHN C[C@H](CN(C)C/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000346244788 335393978 /nfs/dbraw/zinc/39/39/78/335393978.db2.gz CLGXYRZNAVMVEP-SCXUMTSISA-N 0 3 317.414 3.800 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244535 335629077 /nfs/dbraw/zinc/62/90/77/335629077.db2.gz NITMPUDKPHPKAQ-VBNZEHGJSA-N 0 3 304.390 3.593 20 5 DHBDHN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000331822697 336149970 /nfs/dbraw/zinc/14/99/70/336149970.db2.gz ZMWBQWWZSJRHNT-UHFFFAOYSA-N 0 3 302.378 3.624 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(F)cc1)CCC2 ZINC000192589233 336165236 /nfs/dbraw/zinc/16/52/36/336165236.db2.gz JNXJMGKYQAERBP-KRWDZBQOSA-N 0 3 300.333 3.901 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000332317054 336167681 /nfs/dbraw/zinc/16/76/81/336167681.db2.gz MWTWDSWNRDVVPW-CHWSQXEVSA-N 0 3 317.414 3.992 20 5 DHBDHN CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000352652413 336228924 /nfs/dbraw/zinc/22/89/24/336228924.db2.gz NPZCYSZSCZHWMN-OAHLLOKOSA-N 0 3 306.406 3.719 20 5 DHBDHN CO[C@]1(C)C[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531606 336253983 /nfs/dbraw/zinc/25/39/83/336253983.db2.gz UGSUWUBLQXXTCM-SRCQZFHVSA-N 0 3 306.406 3.757 20 5 DHBDHN CN(C)[C@@H](CNc1sccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301919540 336338009 /nfs/dbraw/zinc/33/80/09/336338009.db2.gz CFOYUSAORKBISX-ZDUSSCGKSA-N 0 3 309.366 3.510 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(C2CC2)CC1 ZINC000302837873 336371557 /nfs/dbraw/zinc/37/15/57/336371557.db2.gz XXYUKDWZCQRJBB-UHFFFAOYSA-N 0 3 309.797 3.595 20 5 DHBDHN CC(C)CCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000514651269 336391489 /nfs/dbraw/zinc/39/14/89/336391489.db2.gz KTRJIYBABPGAQV-GFCCVEGCSA-N 0 3 304.394 3.776 20 5 DHBDHN COC1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000181085701 337179759 /nfs/dbraw/zinc/17/97/59/337179759.db2.gz ZGWBYYGEOFZERN-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN Cc1cc(N)cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000423488889 337722452 /nfs/dbraw/zinc/72/24/52/337722452.db2.gz ZLFNJWYWSRJMSU-SFHVURJKSA-N 0 3 311.385 3.653 20 5 DHBDHN COCc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313198 338009621 /nfs/dbraw/zinc/00/96/21/338009621.db2.gz NLDOAVSRMBNCBK-KRWDZBQOSA-N 0 3 312.369 3.518 20 5 DHBDHN C[C@H](c1ccco1)N(CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235956 338014790 /nfs/dbraw/zinc/01/47/90/338014790.db2.gz MFLKQMYGTQDPJL-CYBMUJFWSA-N 0 3 300.358 3.956 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@H](C)c1ccccc1 ZINC000430208228 338101391 /nfs/dbraw/zinc/10/13/91/338101391.db2.gz AVRMUXDVXGMILJ-AWEZNQCLSA-N 0 3 314.385 3.839 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435730958 338246662 /nfs/dbraw/zinc/24/66/62/338246662.db2.gz HNTRBXCURCSCTG-KOMQPUFPSA-N 0 3 300.333 3.770 20 5 DHBDHN COc1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435780002 338248810 /nfs/dbraw/zinc/24/88/10/338248810.db2.gz TUSJISCSODZPSI-WKILWMFISA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)ccc1F ZINC000449128627 338595818 /nfs/dbraw/zinc/59/58/18/338595818.db2.gz SVKSUXKFISQFDT-LLVKDONJSA-N 0 3 306.312 3.594 20 5 DHBDHN CO[C@](C)(CNCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000449487017 338629938 /nfs/dbraw/zinc/62/99/38/338629938.db2.gz WGOVJGXNNJURKI-GOSISDBHSA-N 0 3 314.385 3.555 20 5 DHBDHN CO[C@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686217 338699131 /nfs/dbraw/zinc/69/91/31/338699131.db2.gz MSHBWYSZYGXNLV-ZBFHGGJFSA-N 0 3 314.385 3.503 20 5 DHBDHN CO[C@@H]([C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453338976 338827437 /nfs/dbraw/zinc/82/74/37/338827437.db2.gz BGVBAJVRTZCKQJ-LQAWEQHXSA-N 0 3 318.417 3.720 20 5 DHBDHN CCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](C)OC ZINC000462828718 339092946 /nfs/dbraw/zinc/09/29/46/339092946.db2.gz ZHAAEJRHQPRHIV-ZDUSSCGKSA-N 0 3 318.373 3.712 20 5 DHBDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027217 339101280 /nfs/dbraw/zinc/10/12/80/339101280.db2.gz CVHBEXPHEJRIPD-APHBMKBZSA-N 0 3 306.406 3.838 20 5 DHBDHN COc1cc(CNC2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464493031 339143437 /nfs/dbraw/zinc/14/34/37/339143437.db2.gz FMXSIACXOWJMGC-GHMZBOCLSA-N 0 3 310.369 3.657 20 5 DHBDHN C[C@H](COc1cccc(F)c1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467837137 339247277 /nfs/dbraw/zinc/24/72/77/339247277.db2.gz XSEMVSWXYJNGDD-OLZOCXBDSA-N 0 3 318.348 3.852 20 5 DHBDHN C[C@@H](NC[C@@H](C)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467835779 339247292 /nfs/dbraw/zinc/24/72/92/339247292.db2.gz YTVNYBRINDYHRD-HUUCEWRRSA-N 0 3 313.401 3.770 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000468002347 339250886 /nfs/dbraw/zinc/25/08/86/339250886.db2.gz DTAKVAGBZOYQLH-SNVBAGLBSA-N 0 3 324.302 3.905 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000468004872 339251014 /nfs/dbraw/zinc/25/10/14/339251014.db2.gz MGZLMUJLRUGBTG-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN COCC[C@H]1CCCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000468692167 339268702 /nfs/dbraw/zinc/26/87/02/339268702.db2.gz ZZEZSZSFDZWVFN-CXOKCQFOSA-N 0 3 318.417 3.747 20 5 DHBDHN CC[C@@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183904 339313247 /nfs/dbraw/zinc/31/32/47/339313247.db2.gz SVOCJPFCNZDDLI-RCBBPTIPSA-N 0 3 306.431 3.826 20 5 DHBDHN Cc1c(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545060 339787140 /nfs/dbraw/zinc/78/71/40/339787140.db2.gz OIFFQDOTOSNDBV-DZGCQCFKSA-N 0 3 308.447 3.913 20 5 DHBDHN CC(C)c1ccc(CNC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000495176964 339977934 /nfs/dbraw/zinc/97/79/34/339977934.db2.gz VFIRICBYZGYQMX-AWEZNQCLSA-N 0 3 306.406 3.765 20 5 DHBDHN CC(C)c1ccc(CN(C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000497112394 340020552 /nfs/dbraw/zinc/02/05/52/340020552.db2.gz DZUBLUOGVOSYEI-QAPCUYQASA-N 0 3 320.433 3.701 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000500461545 340059663 /nfs/dbraw/zinc/05/96/63/340059663.db2.gz NNODCXBEVDNSBW-ZIAGYGMSSA-N 0 3 314.332 3.543 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000504896211 340154977 /nfs/dbraw/zinc/15/49/77/340154977.db2.gz XHHIPQQAJONJQQ-DUVNUKRYSA-N 0 3 322.405 3.602 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000972 340205208 /nfs/dbraw/zinc/20/52/08/340205208.db2.gz GTVOXVNNVQAJCC-RHSMWYFYSA-N 0 3 311.385 3.842 20 5 DHBDHN COc1ccc(-c2ccc(CN(C)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000510409114 340298460 /nfs/dbraw/zinc/29/84/60/340298460.db2.gz DMZVZFLPWFYSTR-UHFFFAOYSA-N 0 3 316.357 3.705 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)C(C1CC1)C1CC1 ZINC000512677409 340372564 /nfs/dbraw/zinc/37/25/64/340372564.db2.gz IUQPVHKHWXTMGK-UHFFFAOYSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513208972 340397421 /nfs/dbraw/zinc/39/74/21/340397421.db2.gz CVDBZLHVGUIMMX-NWDGAFQWSA-N 0 3 310.357 3.883 20 5 DHBDHN Cc1c([C@@H](C)NCc2ccc3cnn(C)c3c2)cccc1[N+](=O)[O-] ZINC000517640167 340474398 /nfs/dbraw/zinc/47/43/98/340474398.db2.gz QVTFPYQHEOUNEQ-CYBMUJFWSA-N 0 3 324.384 3.641 20 5 DHBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000524459217 340654673 /nfs/dbraw/zinc/65/46/73/340654673.db2.gz GGMWQQCYAYEPKH-UHFFFAOYSA-N 0 3 300.358 3.542 20 5 DHBDHN CO[C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000524773089 340679928 /nfs/dbraw/zinc/67/99/28/340679928.db2.gz UPHYJEBXJWYDTF-KRWDZBQOSA-N 0 3 318.373 3.615 20 5 DHBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000537991870 340806049 /nfs/dbraw/zinc/80/60/49/340806049.db2.gz QWOZREDYBKPBOY-NSHDSACASA-N 0 3 302.399 3.996 20 5 DHBDHN CC(C)(C)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000542320735 341004856 /nfs/dbraw/zinc/00/48/56/341004856.db2.gz UIWAFTMNRDYUET-LLVKDONJSA-N 0 3 303.362 3.604 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)c1nccs1 ZINC000543627733 341051906 /nfs/dbraw/zinc/05/19/06/341051906.db2.gz XKGGVHVSUWWNBP-NEPJUHHUSA-N 0 3 305.403 3.814 20 5 DHBDHN C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628872 341052101 /nfs/dbraw/zinc/05/21/01/341052101.db2.gz YBBFWSQHMGUBLI-XEZPLFJOSA-N 0 3 315.373 3.645 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704461 341054358 /nfs/dbraw/zinc/05/43/58/341054358.db2.gz HRULFTJPEUCBSI-WFASDCNBSA-N 0 3 306.406 3.900 20 5 DHBDHN CC(C)c1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180292 341073220 /nfs/dbraw/zinc/07/32/20/341073220.db2.gz FGCDVKUSJCAKQG-ZWKOTPCHSA-N 0 3 318.417 3.765 20 5 DHBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000544526846 341084902 /nfs/dbraw/zinc/08/49/02/341084902.db2.gz GZZYOHSDJGZNKE-HEHGZKQESA-N 0 3 312.369 3.810 20 5 DHBDHN COCCC(C)(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544709838 341091561 /nfs/dbraw/zinc/09/15/61/341091561.db2.gz KATPVUBCJQGYDI-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](CO)CC1CCCC1 ZINC000546687651 341178852 /nfs/dbraw/zinc/17/88/52/341178852.db2.gz NHYZYZSYKZMUDU-GOEBONIOSA-N 0 3 320.433 3.743 20 5 DHBDHN CCCCOCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000133823621 341191277 /nfs/dbraw/zinc/19/12/77/341191277.db2.gz SWRRWURKHVDELB-UHFFFAOYSA-N 0 3 300.786 3.545 20 5 DHBDHN Cc1cc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)oc1C ZINC000548858996 341278386 /nfs/dbraw/zinc/27/83/86/341278386.db2.gz HKURTAZNXVNXKG-LBPRGKRZSA-N 0 3 304.346 3.534 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000246517745 341352170 /nfs/dbraw/zinc/35/21/70/341352170.db2.gz KRJQNNSXEDEOHA-OGHNNQOOSA-N 0 3 312.369 3.810 20 5 DHBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000551827980 341353101 /nfs/dbraw/zinc/35/31/01/341353101.db2.gz YPDYPHBQJKXUSG-UHFFFAOYSA-N 0 3 314.332 3.961 20 5 DHBDHN CN(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000552909605 341408434 /nfs/dbraw/zinc/40/84/34/341408434.db2.gz JCTKPCUPXBNOKE-HNNXBMFYSA-N 0 3 321.327 3.588 20 5 DHBDHN CC[C@@H](NCc1ccc2cnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000568941384 341686069 /nfs/dbraw/zinc/68/60/69/341686069.db2.gz KMLKQXNMYWWMRR-QGZVFWFLSA-N 0 3 324.384 3.722 20 5 DHBDHN CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000131133631 520768107 /nfs/dbraw/zinc/76/81/07/520768107.db2.gz XNDMEXSLCXJGTM-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN CCc1nc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000157098176 522282838 /nfs/dbraw/zinc/28/28/38/522282838.db2.gz LELOYVLHIHGDBL-LBPRGKRZSA-N 0 3 319.430 3.815 20 5 DHBDHN COc1cc(CNCCC(C)(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000339569601 522448437 /nfs/dbraw/zinc/44/84/37/522448437.db2.gz SAOMIFINPBUOEP-UHFFFAOYSA-N 0 3 322.405 3.528 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131500278 523952316 /nfs/dbraw/zinc/95/23/16/523952316.db2.gz XJJYJNOMAQZDBY-SUMWQHHRSA-N 0 3 300.358 3.633 20 5 DHBDHN COc1cc(C)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000155010320 1013152471 /nfs/dbraw/zinc/15/24/71/1013152471.db2.gz GDNGWQADFGKTKC-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CC1(C)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083212026 1014000179 /nfs/dbraw/zinc/00/01/79/1014000179.db2.gz FKNAUOVNZACVEP-UHFFFAOYSA-N 0 3 303.362 3.748 20 5 DHBDHN Cc1cnc(CCNCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000895209187 1014942253 /nfs/dbraw/zinc/94/22/53/1014942253.db2.gz QWECZCFPEPXHII-UHFFFAOYSA-N 0 3 319.792 3.592 20 5 DHBDHN C=C/C=C\CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000895540326 1015197364 /nfs/dbraw/zinc/19/73/64/1015197364.db2.gz CMNAGXOGOXIIKB-ARJAWSKDSA-N 0 3 317.208 3.641 20 5 DHBDHN Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000051235518 1015367559 /nfs/dbraw/zinc/36/75/59/1015367559.db2.gz QGKPVSXGMHBSNU-INIZCTEOSA-N 0 3 315.373 3.745 20 5 DHBDHN O=[N+]([O-])c1cc(CNCC2(Cc3ccc(F)cc3)CC2)cs1 ZINC000538452786 1016118723 /nfs/dbraw/zinc/11/87/23/1016118723.db2.gz XZSVZPRAYXXKSF-UHFFFAOYSA-N 0 3 320.389 3.908 20 5 DHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCC(F)(F)F)C2)cc1 ZINC000451547286 1016521593 /nfs/dbraw/zinc/52/15/93/1016521593.db2.gz LBFHNNHLLHCBIV-LBPRGKRZSA-N 0 3 302.296 3.727 20 5 DHBDHN CC[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000847019726 1032179441 /nfs/dbraw/zinc/17/94/41/1032179441.db2.gz JMQBXVXBDFBGDM-SJORKVTESA-N 0 3 318.348 3.508 20 5 DHBDHN CC1(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000475219658 1017092260 /nfs/dbraw/zinc/09/22/60/1017092260.db2.gz MSCNLOZUWATGKR-UHFFFAOYSA-N 0 3 317.414 3.998 20 5 DHBDHN CCC(CC)CN(CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592271 1017579479 /nfs/dbraw/zinc/57/94/79/1017579479.db2.gz GIFLNOZORLMYAT-UHFFFAOYSA-N 0 3 304.394 3.729 20 5 DHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000613184935 1017970712 /nfs/dbraw/zinc/97/07/12/1017970712.db2.gz ZBACJVYBLUDEEV-JSGCOSHPSA-N 0 3 317.414 3.589 20 5 DHBDHN CC(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172115600 1018011892 /nfs/dbraw/zinc/01/18/92/1018011892.db2.gz ZCNSIKNFMNFRJO-UHFFFAOYSA-N 0 3 305.403 3.854 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCC2SCCS2)c1 ZINC000693780295 1018317433 /nfs/dbraw/zinc/31/74/33/1018317433.db2.gz AXANKFONZTYTFF-UHFFFAOYSA-N 0 3 318.851 3.534 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278375531 1018630782 /nfs/dbraw/zinc/63/07/82/1018630782.db2.gz LDGDFWLQDGPNFT-NSHDSACASA-N 0 3 302.296 3.678 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000765305426 1018753058 /nfs/dbraw/zinc/75/30/58/1018753058.db2.gz PFVWJVUIQUNRJI-KGLIPLIRSA-N 0 3 314.385 3.807 20 5 DHBDHN CC[C@@H](C)CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171950332 1018853618 /nfs/dbraw/zinc/85/36/18/1018853618.db2.gz XCSHBYUYNSVHJO-NEPJUHHUSA-N 0 3 318.377 3.684 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@@H]1CCC2(CCC2)O1 ZINC000922969025 1018954885 /nfs/dbraw/zinc/95/48/85/1018954885.db2.gz YCYAGJMGXOBSPS-AWEZNQCLSA-N 0 3 324.808 3.830 20 5 DHBDHN C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC000921553399 1019049489 /nfs/dbraw/zinc/04/94/89/1019049489.db2.gz UCVWACVVXIWUQM-CHWSQXEVSA-N 0 3 312.369 3.769 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370281 1019457478 /nfs/dbraw/zinc/45/74/78/1019457478.db2.gz FOWLEMNOTJNMAG-GXTWGEPZSA-N 0 3 317.414 3.904 20 5 DHBDHN C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000611413470 1019477228 /nfs/dbraw/zinc/47/72/28/1019477228.db2.gz WHVYFBGQGJMMNY-JSGCOSHPSA-N 0 3 317.414 3.731 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(O)c1 ZINC000530342081 1019906129 /nfs/dbraw/zinc/90/61/29/1019906129.db2.gz VVYSVSNWXRWSCI-NTEUORMPSA-N 0 3 312.369 3.836 20 5 DHBDHN C[C@@H](NCc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC001168604343 1020105802 /nfs/dbraw/zinc/10/58/02/1020105802.db2.gz NSQQIANUKHOQDL-CYBMUJFWSA-N 0 3 307.353 3.994 20 5 DHBDHN CC(C)[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738242751 1020867523 /nfs/dbraw/zinc/86/75/23/1020867523.db2.gz ZGCULJOSBMYYKB-AWEZNQCLSA-N 0 3 316.405 3.660 20 5 DHBDHN Cc1cccc(F)c1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000742381169 1021108301 /nfs/dbraw/zinc/10/83/01/1021108301.db2.gz QMGUOEDGTZRWQM-YVMONPNESA-N 0 3 300.333 3.845 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CCCCO2)C1 ZINC000365705311 1021882543 /nfs/dbraw/zinc/88/25/43/1021882543.db2.gz PMIGIWMMBSICOL-WMLDXEAASA-N 0 3 304.390 3.691 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NC2c3ccccc3Oc3ccccc32)C1 ZINC001168989308 1022220300 /nfs/dbraw/zinc/22/03/00/1022220300.db2.gz VVKOQKOYYWTPSS-KGLIPLIRSA-N 0 3 324.380 3.917 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001169048429 1022228292 /nfs/dbraw/zinc/22/82/92/1022228292.db2.gz UZJIYWJFTTUSLJ-KFNAQCHYSA-N 0 3 310.344 3.547 20 5 DHBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385677 1022287823 /nfs/dbraw/zinc/28/78/23/1022287823.db2.gz GZUVEFGKSKGMEP-SJKOYZFVSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc2ccccc2n1 ZINC000538388351 1033049256 /nfs/dbraw/zinc/04/92/56/1033049256.db2.gz ZWEKYJKWGIYQPX-YVMONPNESA-N 0 3 319.364 3.946 20 5 DHBDHN CC[C@@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000616487724 1022734040 /nfs/dbraw/zinc/73/40/40/1022734040.db2.gz RDBBSUUUCUEMGH-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCc3ccc(F)cc32)c1 ZINC000093115884 1023449138 /nfs/dbraw/zinc/44/91/38/1023449138.db2.gz MULFZGUFKRAQEB-QGZVFWFLSA-N 0 3 300.333 3.901 20 5 DHBDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640599 1023918189 /nfs/dbraw/zinc/91/81/89/1023918189.db2.gz SULRRRGTSJQFRG-YVEFUNNKSA-N 0 3 311.385 3.824 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000268902709 1024192321 /nfs/dbraw/zinc/19/23/21/1024192321.db2.gz CZRROKSBZSWNKZ-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN CCC[C@@H](NC[C@@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007821 1024218972 /nfs/dbraw/zinc/21/89/72/1024218972.db2.gz QZFLEYSJHKADGT-HZPDHXFCSA-N 0 3 318.373 3.661 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCc2c1cccc2O ZINC000105486801 1024387233 /nfs/dbraw/zinc/38/72/33/1024387233.db2.gz DPUHZWBWGPHMQI-MQDFFIGUSA-N 0 3 310.353 3.591 20 5 DHBDHN CCC[C@H](NCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000323511303 1033217998 /nfs/dbraw/zinc/21/79/98/1033217998.db2.gz HYGOQHUWBNIZQK-SFHVURJKSA-N 0 3 314.385 3.718 20 5 DHBDHN C[C@@H]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634395 1024557297 /nfs/dbraw/zinc/55/72/97/1024557297.db2.gz SHKMNHIKKQLVPI-DOMZBBRYSA-N 0 3 316.357 3.512 20 5 DHBDHN CC(F)(F)CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000296025860 1024617680 /nfs/dbraw/zinc/61/76/80/1024617680.db2.gz MTSBDNZYLYMCOW-UHFFFAOYSA-N 0 3 310.300 3.990 20 5 DHBDHN COC1(C[C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000759999404 1026011438 /nfs/dbraw/zinc/01/14/38/1026011438.db2.gz KZEQTARXYMLQAF-LLVKDONJSA-N 0 3 312.797 3.686 20 5 DHBDHN COC[C@@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000809975349 1026652642 /nfs/dbraw/zinc/65/26/42/1026652642.db2.gz GNESGDCJECCKAN-GFCCVEGCSA-N 0 3 321.204 3.662 20 5 DHBDHN CS[C@@H](C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484752 1027009242 /nfs/dbraw/zinc/00/92/42/1027009242.db2.gz IXKMFJDYGGZJAL-ZETCQYMHSA-N 0 3 309.218 3.743 20 5 DHBDHN CCC[C@](C)(O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479327 1027016886 /nfs/dbraw/zinc/01/68/86/1027016886.db2.gz CJTRNMFZGFVXDL-ZDUSSCGKSA-N 0 3 321.204 3.542 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000355754145 1027106118 /nfs/dbraw/zinc/10/61/18/1027106118.db2.gz ZODQNVVMCJWPQQ-YOEHRIQHSA-N 0 3 304.390 3.548 20 5 DHBDHN CCN(CCOc1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000571425683 1027125391 /nfs/dbraw/zinc/12/53/91/1027125391.db2.gz CQGULXJUEQBRIT-UHFFFAOYSA-N 0 3 314.385 3.804 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000571997569 1027164869 /nfs/dbraw/zinc/16/48/69/1027164869.db2.gz UCEPVIXBMAEPDA-SWLSCSKDSA-N 0 3 324.808 3.639 20 5 DHBDHN CC(F)(F)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000296016645 1027518038 /nfs/dbraw/zinc/51/80/38/1027518038.db2.gz LZEHWKVXOABUSA-UHFFFAOYSA-N 0 3 310.300 3.990 20 5 DHBDHN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104006 1027521954 /nfs/dbraw/zinc/52/19/54/1027521954.db2.gz VZHCRPFHVIZZID-JTQLQIEISA-N 0 3 313.309 3.716 20 5 DHBDHN Cc1noc(CN2C[C@H](c3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000932899408 1027644414 /nfs/dbraw/zinc/64/44/14/1027644414.db2.gz UHYQDWBUXRMXTI-CQSZACIVSA-N 0 3 315.373 3.659 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000934333888 1027966164 /nfs/dbraw/zinc/96/61/64/1027966164.db2.gz RIAQWTCLRDNOGV-OLZOCXBDSA-N 0 3 317.414 3.677 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@H]1C(F)(F)F ZINC000601160309 1028010257 /nfs/dbraw/zinc/01/02/57/1028010257.db2.gz UASYDQUGAXPYHI-CKIUVGDASA-N 0 3 300.280 3.539 20 5 DHBDHN C[C@@H]1CC=CC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934621135 1028054677 /nfs/dbraw/zinc/05/46/77/1028054677.db2.gz SAEQIWKKLMCAGZ-MLGOLLRUSA-N 0 3 313.357 3.694 20 5 DHBDHN COc1ccc2c(c1)CC[C@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000601277404 1028056875 /nfs/dbraw/zinc/05/68/75/1028056875.db2.gz DDVJQGJLWWXGDJ-QGZVFWFLSA-N 0 3 312.369 3.689 20 5 DHBDHN C[C@@H](NCc1cccc2c1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000601305426 1028071708 /nfs/dbraw/zinc/07/17/08/1028071708.db2.gz XRFYXPKZWHKNMY-CYBMUJFWSA-N 0 3 312.369 3.518 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505735 1028727812 /nfs/dbraw/zinc/72/78/12/1028727812.db2.gz XMOWYJXYVGKVNA-KRWDZBQOSA-N 0 3 311.385 3.678 20 5 DHBDHN CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449507822 1028729845 /nfs/dbraw/zinc/72/98/45/1028729845.db2.gz UIEFCTHZTCGGST-SUMWQHHRSA-N 0 3 306.406 3.575 20 5 DHBDHN CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449507821 1028730636 /nfs/dbraw/zinc/73/06/36/1028730636.db2.gz UIEFCTHZTCGGST-GUYCJALGSA-N 0 3 306.406 3.575 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889309 1028786129 /nfs/dbraw/zinc/78/61/29/1028786129.db2.gz WSCRLKAFMBNBLU-KBPBESRZSA-N 0 3 312.797 3.541 20 5 DHBDHN C[C@H](C1CC1)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000567893181 1028969244 /nfs/dbraw/zinc/96/92/44/1028969244.db2.gz IVWVWAUAJFLOQB-SECBINFHSA-N 0 3 313.195 3.588 20 5 DHBDHN Cc1cnc([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374231794 1029249979 /nfs/dbraw/zinc/24/99/79/1029249979.db2.gz XSFKMORIHSGIPF-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN COC1CCC(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872041289 1031425059 /nfs/dbraw/zinc/42/50/59/1031425059.db2.gz HCQYGFYPCXLWRI-PNESKVBLSA-N 0 3 310.369 3.590 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC=CO1 ZINC000872065220 1031460746 /nfs/dbraw/zinc/46/07/46/1031460746.db2.gz VVSXOYXAZSRWQS-WCQYABFASA-N 0 3 308.403 3.660 20 5 DHBDHN CO[C@@H]([C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078840 1031473942 /nfs/dbraw/zinc/47/39/42/1031473942.db2.gz SPSNCRPZFCUGKA-USBNGQNGSA-N 0 3 324.446 3.781 20 5 DHBDHN C[C@H](NC[C@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077891 1031474725 /nfs/dbraw/zinc/47/47/25/1031474725.db2.gz NGFLHZJBGAJIOK-RYUDHWBXSA-N 0 3 310.369 3.590 20 5 DHBDHN C[C@@H](NC[C@@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080536 1031477523 /nfs/dbraw/zinc/47/75/23/1031477523.db2.gz RIUYJKBPQYYFJN-NEPJUHHUSA-N 0 3 324.421 3.918 20 5 DHBDHN Cc1c(CN[C@@H](c2cccnc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000360882343 1031600843 /nfs/dbraw/zinc/60/08/43/1031600843.db2.gz DGHWIKWEDWQHDA-GOSISDBHSA-N 0 3 311.385 3.929 20 5 DHBDHN COc1cccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873008236 1031689871 /nfs/dbraw/zinc/68/98/71/1031689871.db2.gz PULAKUGFIXZALE-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c(c1)COC2 ZINC000873081990 1031706126 /nfs/dbraw/zinc/70/61/26/1031706126.db2.gz YFKQZJXXVFOFAG-UHFFFAOYSA-N 0 3 312.369 3.532 20 5 DHBDHN CC1=C(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845875920 1031748538 /nfs/dbraw/zinc/74/85/38/1031748538.db2.gz LVPMFHUFAMSYPO-NHYWBVRUSA-N 0 3 307.321 3.576 20 5 DHBDHN CC([C@@H](OC(=O)CC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872365 1031749283 /nfs/dbraw/zinc/74/92/83/1031749283.db2.gz HNROVUWPWFLXNW-MEDUHNTESA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@@H](OC(=O)CCC1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876645 1031749406 /nfs/dbraw/zinc/74/94/06/1031749406.db2.gz NHPGCPFUZGPWPS-BDJLRTHQSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@@H](OC(=O)C[C@@H](C)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880152 1031752105 /nfs/dbraw/zinc/75/21/05/1031752105.db2.gz YVDCLSMRMLZAMC-GLKRBJQHSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000877544417 1033347530 /nfs/dbraw/zinc/34/75/30/1033347530.db2.gz WWOHYJLEZJXGGX-CABCVRRESA-N 0 3 310.344 3.689 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)C[C@H](C)C2)c1F ZINC001173195644 1033587918 /nfs/dbraw/zinc/58/79/18/1033587918.db2.gz HUTIWTZNPMHBJJ-AVGNSLFASA-N 0 3 324.396 3.651 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cnc1Cl ZINC001173220494 1033601016 /nfs/dbraw/zinc/60/10/16/1033601016.db2.gz FKTNVHXPZHTDAY-SNVBAGLBSA-N 0 3 323.755 3.503 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000553262348 1033646262 /nfs/dbraw/zinc/64/62/62/1033646262.db2.gz QZYZVAVMVRWVJA-FZMZJTMJSA-N 0 3 321.352 3.868 20 5 DHBDHN Cc1c([C@@H](C)NCc2ccc([C@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550127 1034244636 /nfs/dbraw/zinc/24/46/36/1034244636.db2.gz GDCQKYVVJQEOJL-KGLIPLIRSA-N 0 3 314.385 3.807 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nccs2)C1 ZINC000880313430 1034292603 /nfs/dbraw/zinc/29/26/03/1034292603.db2.gz AOTWRBKIPQUURG-DGCLKSJQSA-N 0 3 303.387 3.602 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCC[C@@H]2C2CCOCC2)ccc1Cl ZINC000777442454 1034745187 /nfs/dbraw/zinc/74/51/87/1034745187.db2.gz KHOPQZMIWXSDHC-OAHLLOKOSA-N 0 3 324.808 3.639 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000555794057 1034904758 /nfs/dbraw/zinc/90/47/58/1034904758.db2.gz QVVJIILTNXTOCL-YOEHRIQHSA-N 0 3 306.406 3.711 20 5 DHBDHN C[C@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001175982323 1035173632 /nfs/dbraw/zinc/17/36/32/1035173632.db2.gz FOHFHENIAMQZDN-LLVKDONJSA-N 0 3 304.394 3.585 20 5 DHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCOCC3CCC3)C2)cc1 ZINC001194476962 1035943301 /nfs/dbraw/zinc/94/33/01/1035943301.db2.gz GNBRZCXBYVVVBB-QGZVFWFLSA-N 0 3 318.417 3.591 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC(C)(C2CC2)CC1 ZINC001194773183 1036035250 /nfs/dbraw/zinc/03/52/50/1036035250.db2.gz WVGOIBVKULRIOT-UHFFFAOYSA-N 0 3 304.390 3.616 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CC(C)(C)C)C1 ZINC001195214422 1036183019 /nfs/dbraw/zinc/18/30/19/1036183019.db2.gz VCRRKXDHEMPJQP-CYBMUJFWSA-N 0 3 306.406 3.862 20 5 DHBDHN CCN(Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000541772473 1036429740 /nfs/dbraw/zinc/42/97/40/1036429740.db2.gz BEHLAQQQNDBMQU-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN C[C@H]1c2sccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001197431449 1036775301 /nfs/dbraw/zinc/77/53/01/1036775301.db2.gz FJSSGHRBXHIZGA-LBPRGKRZSA-N 0 3 318.398 3.654 20 5 DHBDHN Cc1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000597226999 1037246173 /nfs/dbraw/zinc/24/61/73/1037246173.db2.gz ZDNIFMXDCZRNFH-GOSISDBHSA-N 0 3 318.417 3.684 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186405360 1037389203 /nfs/dbraw/zinc/38/92/03/1037389203.db2.gz KACVZGOSHUGNAP-JQWIXIFHSA-N 0 3 309.391 3.791 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186404995 1037389583 /nfs/dbraw/zinc/38/95/83/1037389583.db2.gz KACVZGOSHUGNAP-CMPLNLGQSA-N 0 3 309.391 3.791 20 5 DHBDHN O=[N+]([O-])c1cc([O-])cc(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001201221485 1037579598 /nfs/dbraw/zinc/57/95/98/1037579598.db2.gz CICALVPLRREHJD-UHFFFAOYSA-N 0 3 313.357 3.640 20 5 DHBDHN CCN(CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000029622860 1037831608 /nfs/dbraw/zinc/83/16/08/1037831608.db2.gz FLMRKSLIFHNCBZ-AWEZNQCLSA-N 0 3 320.418 3.546 20 5 DHBDHN CC[C@@H](OCCNCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593664608 1038998048 /nfs/dbraw/zinc/99/80/48/1038998048.db2.gz PUMDXYKWMJVKLW-GOSISDBHSA-N 0 3 314.385 3.852 20 5 DHBDHN Cc1c(NC(=O)[C@H](C)N(C)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000592144792 1039138393 /nfs/dbraw/zinc/13/83/93/1039138393.db2.gz IVVRZKUHLBLNBC-ZDUSSCGKSA-N 0 3 321.421 3.598 20 5 DHBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000603843742 1039177857 /nfs/dbraw/zinc/17/78/57/1039177857.db2.gz YQVMSGNZHPZZAO-UHFFFAOYSA-N 0 3 320.776 3.759 20 5 DHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000058575227 1039280387 /nfs/dbraw/zinc/28/03/87/1039280387.db2.gz ZUDDNRWBLPIZOY-UHFFFAOYSA-N 0 3 320.776 3.759 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594509025 1039806141 /nfs/dbraw/zinc/80/61/41/1039806141.db2.gz GSWVWUUKXIAEEA-HZPDHXFCSA-N 0 3 324.808 3.686 20 5 DHBDHN COc1cccc(CNCc2ccc([N+](=O)[O-])cc2C)c1C ZINC000594999874 1040013979 /nfs/dbraw/zinc/01/39/79/1040013979.db2.gz XNLXDLOFWOKPRS-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000595034027 1040043366 /nfs/dbraw/zinc/04/33/66/1040043366.db2.gz ORKTWIGTNOKCSR-IAQYHMDHSA-N 0 3 322.405 3.600 20 5 DHBDHN COCc1csc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000595075388 1040069940 /nfs/dbraw/zinc/06/99/40/1040069940.db2.gz ANTAFGZHYOWYNB-HNNXBMFYSA-N 0 3 318.398 3.580 20 5 DHBDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329902 1040099626 /nfs/dbraw/zinc/09/96/26/1040099626.db2.gz DOVPNIQCTLYIRM-KBPBESRZSA-N 0 3 312.410 3.840 20 5 DHBDHN Cc1c([C@H](C)N[C@@H]2CCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000596652908 1040524270 /nfs/dbraw/zinc/52/42/70/1040524270.db2.gz QVPQPEOGALXTSX-YVEFUNNKSA-N 0 3 311.385 3.824 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)c1ccccc1 ZINC000608976694 1040656510 /nfs/dbraw/zinc/65/65/10/1040656510.db2.gz IKHZGWPKXVKARN-CQSZACIVSA-N 0 3 314.385 3.839 20 5 DHBDHN CC(F)(F)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602672823 1041142893 /nfs/dbraw/zinc/14/28/93/1041142893.db2.gz PPSMIGXMJVHWCQ-UHFFFAOYSA-N 0 3 312.238 3.749 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC=CCC3)cs2)c1 ZINC000076771152 185039532 /nfs/dbraw/zinc/03/95/32/185039532.db2.gz AJOLAKSDWIMOFM-CYBMUJFWSA-N 0 3 315.398 3.917 20 5 DHBDHN O=[N+]([O-])c1ccc(CCNC2(c3nccs3)CCCC2)cc1 ZINC000081595014 192299120 /nfs/dbraw/zinc/29/91/20/192299120.db2.gz CITFPABOHGHOCK-UHFFFAOYSA-N 0 3 317.414 3.653 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000272409653 130027531 /nfs/dbraw/zinc/02/75/31/130027531.db2.gz FOQPBSMSGHVPKD-ZIAGYGMSSA-N 0 3 314.389 3.567 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncs1 ZINC000272644896 130049822 /nfs/dbraw/zinc/04/98/22/130049822.db2.gz OWJATICWWRYUJN-VIFPVBQESA-N 0 3 311.794 3.598 20 5 DHBDHN C[C@H]1C[C@@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092060 130088963 /nfs/dbraw/zinc/08/89/63/130088963.db2.gz SSEKKEOUTOBUJF-RYUDHWBXSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000274880207 130270632 /nfs/dbraw/zinc/27/06/32/130270632.db2.gz HHCMSINZPZZTEP-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276240131 130460414 /nfs/dbraw/zinc/46/04/14/130460414.db2.gz UMPTYEFOZJGVDI-IJLUTSLNSA-N 0 3 316.361 3.579 20 5 DHBDHN CCc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000283981724 131038511 /nfs/dbraw/zinc/03/85/11/131038511.db2.gz GXGKVPLNZJLELL-SNVBAGLBSA-N 0 3 305.403 3.652 20 5 DHBDHN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228036 131149838 /nfs/dbraw/zinc/14/98/38/131149838.db2.gz PCUUHKFLHINMCH-HWPZZCPQSA-N 0 3 315.348 3.654 20 5 DHBDHN CC[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290269280 131471065 /nfs/dbraw/zinc/47/10/65/131471065.db2.gz LHOKGZCAGGFGAK-DOPJRALCSA-N 0 3 314.385 3.758 20 5 DHBDHN COCc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000121424435 132155588 /nfs/dbraw/zinc/15/55/88/132155588.db2.gz WNVLAAPKABGZFV-ZDUSSCGKSA-N 0 3 300.358 3.592 20 5 DHBDHN CCCOC1(CNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000570729352 332808097 /nfs/dbraw/zinc/80/80/97/332808097.db2.gz IEBITCAIDXHTPF-UHFFFAOYSA-N 0 3 306.406 3.814 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690768 331808704 /nfs/dbraw/zinc/80/87/04/331808704.db2.gz ASSJAXQEYXSSFC-NHYWBVRUSA-N 0 3 321.352 3.868 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCc2c1cccc2O ZINC000557781658 331815867 /nfs/dbraw/zinc/81/58/67/331815867.db2.gz DPUHZWBWGPHMQI-LEXSJLIMSA-N 0 3 310.353 3.591 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCCSC3)o2)cc1 ZINC000557833958 331819786 /nfs/dbraw/zinc/81/97/86/331819786.db2.gz WHONVRDJVVWJRU-ZDUSSCGKSA-N 0 3 318.398 3.840 20 5 DHBDHN COc1ccc(-c2ccc(CNC[C@H]3C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520948038 332114946 /nfs/dbraw/zinc/11/49/46/332114946.db2.gz OCNZSDBYJUMUAG-VXGBXAGGSA-N 0 3 316.357 3.609 20 5 DHBDHN CCC[C@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842190 332284556 /nfs/dbraw/zinc/28/45/56/332284556.db2.gz RHJZSIRKVDSYNU-GXTWGEPZSA-N 0 3 316.405 3.920 20 5 DHBDHN Cc1cc(NCC(C)(C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302212707 332984058 /nfs/dbraw/zinc/98/40/58/332984058.db2.gz YZXXMRXXDOPVRO-LBPRGKRZSA-N 0 3 317.389 3.660 20 5 DHBDHN Cc1ncsc1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178000795 333134033 /nfs/dbraw/zinc/13/40/33/333134033.db2.gz NRCQIJRPXXPFSH-UHFFFAOYSA-N 0 3 317.414 3.567 20 5 DHBDHN COc1cc(C[NH2+]C[C@@H](C)C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000518785165 333228127 /nfs/dbraw/zinc/22/81/27/333228127.db2.gz PKPCNRFSALLPQV-GFCCVEGCSA-N 0 3 322.405 3.615 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000319723585 333400430 /nfs/dbraw/zinc/40/04/30/333400430.db2.gz PBYZFZWVVMVAOK-MRXNPFEDSA-N 0 3 304.390 3.566 20 5 DHBDHN C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448709 333671468 /nfs/dbraw/zinc/67/14/68/333671468.db2.gz FJJQYJWZOKZOBE-GOPGUHFVSA-N 0 3 300.333 3.941 20 5 DHBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000414554956 334016387 /nfs/dbraw/zinc/01/63/87/334016387.db2.gz HRFITOCJPCZLLU-UHFFFAOYSA-N 0 3 319.792 3.711 20 5 DHBDHN CC(C)c1ccc([C@@H](N)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000414853828 334127606 /nfs/dbraw/zinc/12/76/06/334127606.db2.gz YGLFYXLNCNMQIU-KRWDZBQOSA-N 0 3 313.401 3.508 20 5 DHBDHN CCC(O)(CC)CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000471828751 334271221 /nfs/dbraw/zinc/27/12/21/334271221.db2.gz XKVKNUJQGRATNN-UHFFFAOYSA-N 0 3 308.422 3.749 20 5 DHBDHN CC[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340874728 334392303 /nfs/dbraw/zinc/39/23/03/334392303.db2.gz JBMMLUXPDQXECC-CQSZACIVSA-N 0 3 301.346 3.624 20 5 DHBDHN CC/C=C\CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000342240233 334519818 /nfs/dbraw/zinc/51/98/18/334519818.db2.gz XHDSWMYMBFKFEG-ARJAWSKDSA-N 0 3 304.390 3.794 20 5 DHBDHN CCc1nc(C)c([C@H](C)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000344069125 335214754 /nfs/dbraw/zinc/21/47/54/335214754.db2.gz UBZHAXHJOYJJJY-NSHDSACASA-N 0 3 319.430 3.815 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339228 335242352 /nfs/dbraw/zinc/24/23/52/335242352.db2.gz WGTZJKLPPSBTQU-DAXOMENPSA-N 0 3 304.390 3.593 20 5 DHBDHN C[C@@H]1CC(C)(C)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688880 338482986 /nfs/dbraw/zinc/48/29/86/338482986.db2.gz LGGLHFLHMDYNOO-YPMHNXCESA-N 0 3 316.405 3.776 20 5 DHBDHN C[C@@H]1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645787 336143368 /nfs/dbraw/zinc/14/33/68/336143368.db2.gz UMZIWPNQKCRHAV-UEKVPHQBSA-N 0 3 306.431 3.801 20 5 DHBDHN CC[C@@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210072 336162808 /nfs/dbraw/zinc/16/28/08/336162808.db2.gz VMIOCNYWMFDBAP-YPMHNXCESA-N 0 3 302.378 3.530 20 5 DHBDHN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000352544572 336223720 /nfs/dbraw/zinc/22/37/20/336223720.db2.gz SCYZTFPCKRVNJG-UHFFFAOYSA-N 0 3 304.415 3.948 20 5 DHBDHN CN1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301823996 336332553 /nfs/dbraw/zinc/33/25/53/336332553.db2.gz CWJXOKGXMVIJPK-DOTOQJQBSA-N 0 3 315.348 3.591 20 5 DHBDHN Cc1cccc(NC[C@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000302513504 336360472 /nfs/dbraw/zinc/36/04/72/336360472.db2.gz UHYHMQGWNQGQCA-OAHLLOKOSA-N 0 3 315.373 3.745 20 5 DHBDHN C[C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000354715573 336479641 /nfs/dbraw/zinc/47/96/41/336479641.db2.gz WZSYIRMPSIAPOT-QWHCGFSZSA-N 0 3 316.357 3.512 20 5 DHBDHN CCC[C@@H](N[C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359083188 336656909 /nfs/dbraw/zinc/65/69/09/336656909.db2.gz OZMPHKOKPZSLOL-NVXWUHKLSA-N 0 3 306.406 3.577 20 5 DHBDHN CC1(C)[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000374161747 336982705 /nfs/dbraw/zinc/98/27/05/336982705.db2.gz RAJAVWGXNBPQOX-NILFDRSVSA-N 0 3 324.808 3.541 20 5 DHBDHN Cc1cccc2c1OC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000514665705 337143864 /nfs/dbraw/zinc/14/38/64/337143864.db2.gz KXZGPXIYKLUSIK-OOYWPUHTSA-N 0 3 324.380 3.510 20 5 DHBDHN COc1cc(CN([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184245583 337197521 /nfs/dbraw/zinc/19/75/21/337197521.db2.gz VWGWTGLRDYINOI-JTQLQIEISA-N 0 3 308.353 3.505 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000583003683 337227690 /nfs/dbraw/zinc/22/76/90/337227690.db2.gz XBSDKHPOTGPZHR-CQSZACIVSA-N 0 3 318.417 3.794 20 5 DHBDHN C[C@H](CN(C)C)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584621210 337374815 /nfs/dbraw/zinc/37/48/15/337374815.db2.gz QYWHKEXYAGTIGF-CYBMUJFWSA-N 0 3 300.358 3.591 20 5 DHBDHN Cc1ccc([C@@H](C)NCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000536808279 337394798 /nfs/dbraw/zinc/39/47/98/337394798.db2.gz WKHNZVKBAMGGAW-CYBMUJFWSA-N 0 3 318.348 3.772 20 5 DHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000246421062 337547143 /nfs/dbraw/zinc/54/71/43/337547143.db2.gz NGEPIQKEUUBBSP-OGHNNQOOSA-N 0 3 312.369 3.810 20 5 DHBDHN Cc1ccc([C@@H](C)NCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000120145375 337870871 /nfs/dbraw/zinc/87/08/71/337870871.db2.gz CXEJKZHASPCXPZ-CQSZACIVSA-N 0 3 300.358 3.633 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1N1CCCN(C2CCCC2)CC1 ZINC000432314469 338152752 /nfs/dbraw/zinc/15/27/52/338152752.db2.gz QQKGBKPEBBWSIK-UHFFFAOYSA-N 0 3 323.824 3.703 20 5 DHBDHN CC[C@H](NCC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433058108 338179166 /nfs/dbraw/zinc/17/91/66/338179166.db2.gz OTOJVCCUHDRSEN-INIZCTEOSA-N 0 3 318.417 3.578 20 5 DHBDHN CO[C@@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291686 338189495 /nfs/dbraw/zinc/18/94/95/338189495.db2.gz VCWYTBJIDAVQFY-CVEARBPZSA-N 0 3 306.406 3.578 20 5 DHBDHN CC1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000435053719 338231168 /nfs/dbraw/zinc/23/11/68/338231168.db2.gz VFSGFESRTOTFLT-FNORWQNLSA-N 0 3 306.431 3.826 20 5 DHBDHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442808680 338432927 /nfs/dbraw/zinc/43/29/27/338432927.db2.gz HSDOMRKJHWFVQR-YESZJQIVSA-N 0 3 304.390 3.519 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOC1CCCCC1)CCC2 ZINC000447530750 338554493 /nfs/dbraw/zinc/55/44/93/338554493.db2.gz PIKKHIOTSCFZJJ-SFHVURJKSA-N 0 3 318.417 3.911 20 5 DHBDHN C[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447597790 338561009 /nfs/dbraw/zinc/56/10/09/338561009.db2.gz GWLUDHUJLCWMJY-TVQRCGJNSA-N 0 3 302.296 3.760 20 5 DHBDHN CO[C@](C)(CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000449485401 338629629 /nfs/dbraw/zinc/62/96/29/338629629.db2.gz QEGITIWCQSZBMO-GOSISDBHSA-N 0 3 314.385 3.555 20 5 DHBDHN COc1cccc([C@H]2C[C@H](NCc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000449616892 338641565 /nfs/dbraw/zinc/64/15/65/338641565.db2.gz SEEFIRAGHOGGFT-WKILWMFISA-N 0 3 312.369 3.639 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686216 338699146 /nfs/dbraw/zinc/69/91/46/338699146.db2.gz MSHBWYSZYGXNLV-HOCLYGCPSA-N 0 3 314.385 3.503 20 5 DHBDHN C[C@@H]1CC[C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624388 338851166 /nfs/dbraw/zinc/85/11/66/338851166.db2.gz CKHHNMZIXGIHQY-IUODEOHRSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1cccc(OCCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000195670127 338913816 /nfs/dbraw/zinc/91/38/16/338913816.db2.gz ZLZDMZLMWULRDY-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN C[C@@H](CCCc1cccnc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000459648782 339040429 /nfs/dbraw/zinc/04/04/29/339040429.db2.gz VEXQFNOIMPMXDC-ZDUSSCGKSA-N 0 3 317.364 3.630 20 5 DHBDHN CC[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000459749759 339045975 /nfs/dbraw/zinc/04/59/75/339045975.db2.gz YQSGPFQOAMBUNH-ZBFHGGJFSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000464096392 339134384 /nfs/dbraw/zinc/13/43/84/339134384.db2.gz YWPMWDCRBHHLPI-CVEARBPZSA-N 0 3 306.406 3.585 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000467460532 339239879 /nfs/dbraw/zinc/23/98/79/339239879.db2.gz TTXKWLXBHIIVIW-GDBMZVCRSA-N 0 3 320.433 3.743 20 5 DHBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000467835777 339247215 /nfs/dbraw/zinc/24/72/15/339247215.db2.gz YTVNYBRINDYHRD-CABCVRRESA-N 0 3 313.401 3.770 20 5 DHBDHN C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000467850344 339247607 /nfs/dbraw/zinc/24/76/07/339247607.db2.gz KFIXYRVKYDCDPQ-CHWSQXEVSA-N 0 3 318.348 3.852 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000467994948 339250629 /nfs/dbraw/zinc/25/06/29/339250629.db2.gz QKOMCOWNVCRLRF-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000468651321 339268082 /nfs/dbraw/zinc/26/80/82/339268082.db2.gz YEDMZOITDXTRKM-GHXNOFRVSA-N 0 3 316.332 3.633 20 5 DHBDHN CCS[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775198 339298867 /nfs/dbraw/zinc/29/88/67/339298867.db2.gz KKJRYQCTLMJCSB-CJNGLKHVSA-N 0 3 324.446 3.757 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C(F)F)CC1 ZINC000470179257 339313125 /nfs/dbraw/zinc/31/31/25/339313125.db2.gz VDXRGLIYNBCEQG-XFXZXTDPSA-N 0 3 310.344 3.975 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCc1ccncc1 ZINC000470204147 339314132 /nfs/dbraw/zinc/31/41/32/339314132.db2.gz UDYRKUAPPSVMNP-NTCAYCPXSA-N 0 3 311.385 3.568 20 5 DHBDHN Cn1cccc1[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000472315451 339369671 /nfs/dbraw/zinc/36/96/71/339369671.db2.gz NQKIDCJJOQRWMJ-GOSISDBHSA-N 0 3 313.401 3.703 20 5 DHBDHN CCOC[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000474013812 339397148 /nfs/dbraw/zinc/39/71/48/339397148.db2.gz BBCMYNGCOGGLML-MRXNPFEDSA-N 0 3 308.422 3.869 20 5 DHBDHN CCc1cccc(F)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000474727179 339424274 /nfs/dbraw/zinc/42/42/74/339424274.db2.gz ABDSHOUTXXMVES-UHFFFAOYSA-N 0 3 302.349 3.629 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc2ncccc2c1 ZINC000475328160 339446568 /nfs/dbraw/zinc/44/65/68/339446568.db2.gz BDTMLZQIAYYJET-UTCJRWHESA-N 0 3 319.364 3.946 20 5 DHBDHN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCSC2)c2ccccc2)c1 ZINC000494036208 339939510 /nfs/dbraw/zinc/93/95/10/339939510.db2.gz BPQMZMVPAKYBCO-RDJZCZTQSA-N 0 3 314.410 3.779 20 5 DHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000504927648 340156460 /nfs/dbraw/zinc/15/64/60/340156460.db2.gz RZVGCAYCUDTAKX-LBPRGKRZSA-N 0 3 306.387 3.848 20 5 DHBDHN CCCN(CCC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505331057 340166348 /nfs/dbraw/zinc/16/63/48/340166348.db2.gz OBQWYFHJQXQELQ-UHFFFAOYSA-N 0 3 302.321 3.818 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000507208010 340213473 /nfs/dbraw/zinc/21/34/73/340213473.db2.gz FNNYEGCACLXFNG-NWDGAFQWSA-N 0 3 310.357 3.883 20 5 DHBDHN C[C@@H](NCCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507831447 340233590 /nfs/dbraw/zinc/23/35/90/340233590.db2.gz RDOPDLDIIFAMLX-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN C[C@@H](CCc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509913326 340282688 /nfs/dbraw/zinc/28/26/88/340282688.db2.gz PBGBMHHYBZQGOU-ZDUSSCGKSA-N 0 3 324.384 3.582 20 5 DHBDHN COCC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000509946327 340283522 /nfs/dbraw/zinc/28/35/22/340283522.db2.gz WPUZCOTWYKRVNR-CQSZACIVSA-N 0 3 314.813 3.789 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H]1CCCF ZINC000510735911 340308784 /nfs/dbraw/zinc/30/87/84/340308784.db2.gz MIVUIFGYQGHXCC-WFASDCNBSA-N 0 3 310.369 3.611 20 5 DHBDHN CCC[C@H](N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039100 340319008 /nfs/dbraw/zinc/31/90/08/340319008.db2.gz ZBLVYBJYJSVPAT-WMZOPIPTSA-N 0 3 320.433 3.967 20 5 DHBDHN Cc1ccc(F)cc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511141425 340322202 /nfs/dbraw/zinc/32/22/02/340322202.db2.gz LXWAEBPJUPPOLW-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000511646393 340333846 /nfs/dbraw/zinc/33/38/46/340333846.db2.gz GRIYSBZKWASEAV-UXBLZVDNSA-N 0 3 308.381 3.707 20 5 DHBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724285 340336251 /nfs/dbraw/zinc/33/62/51/340336251.db2.gz VDOYGVMHOUQJNL-FRRDWIJNSA-N 0 3 309.385 3.512 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512113364 340348938 /nfs/dbraw/zinc/34/89/38/340348938.db2.gz IKZXZESGXOMLFV-OWOJBTEDSA-N 0 3 304.296 3.676 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(C(F)(F)F)CC1 ZINC000512914307 340383785 /nfs/dbraw/zinc/38/37/85/340383785.db2.gz YVBDQHXXINXNOS-YRNVUSSQSA-N 0 3 314.307 3.930 20 5 DHBDHN Cc1c([C@@H](C)NCCSCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000539061479 340869390 /nfs/dbraw/zinc/86/93/90/340869390.db2.gz VSBRKGOVOXRZTD-SNVBAGLBSA-N 0 3 322.352 3.849 20 5 DHBDHN CC1(C)SC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233414 341289234 /nfs/dbraw/zinc/28/92/34/341289234.db2.gz WVRQHIQRXUFXEZ-UONOGXRCSA-N 0 3 306.431 3.801 20 5 DHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H]1F ZINC000550931209 341327101 /nfs/dbraw/zinc/32/71/01/341327101.db2.gz BEJWFFNRCDTDPN-XQQFMLRXSA-N 0 3 312.410 3.946 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H](CC)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000090857969 341419686 /nfs/dbraw/zinc/41/96/86/341419686.db2.gz RFZGHDNCEVCVRH-NOLJZWGESA-N 0 3 322.405 3.602 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCc1ccc(F)cc1Cl ZINC000553771906 341435762 /nfs/dbraw/zinc/43/57/62/341435762.db2.gz RESCVYPCSZSORU-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977820 341712038 /nfs/dbraw/zinc/71/20/38/341712038.db2.gz LHGYJRHJIRQCKG-ZIAGYGMSSA-N 0 3 304.390 3.737 20 5 DHBDHN Cc1c([C@H](C)N[C@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178110410 341945745 /nfs/dbraw/zinc/94/57/45/341945745.db2.gz AQPYZQFYUHJVEX-DZGCQCFKSA-N 0 3 312.369 3.558 20 5 DHBDHN COc1cc(CNC2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000339463329 522442454 /nfs/dbraw/zinc/44/24/54/522442454.db2.gz BZMRNEYIEBEIEC-UHFFFAOYSA-N 0 3 322.405 3.526 20 5 DHBDHN COc1ccc(-c2ccc(CNC3CCC3)o2)c([N+](=O)[O-])c1 ZINC000337352223 523131344 /nfs/dbraw/zinc/13/13/44/523131344.db2.gz YBONFIRFOJNFQU-UHFFFAOYSA-N 0 3 302.330 3.506 20 5 DHBDHN CO[C@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000191144959 523885368 /nfs/dbraw/zinc/88/53/68/523885368.db2.gz OLZCJUSKINWYIT-SNVBAGLBSA-N 0 3 324.764 3.633 20 5 DHBDHN C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266887511 524900111 /nfs/dbraw/zinc/90/01/11/524900111.db2.gz QLRIKOZYOIOEFT-STQMWFEESA-N 0 3 300.358 3.582 20 5 DHBDHN C[C@H](NC[C@@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776852 525384834 /nfs/dbraw/zinc/38/48/34/525384834.db2.gz BVOHDLAQGYOKNP-LRDDRELGSA-N 0 3 319.430 3.610 20 5 DHBDHN Cc1cc([C@@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765570 525466335 /nfs/dbraw/zinc/46/63/35/525466335.db2.gz HRXCAJOXGWQECB-BDJLRTHQSA-N 0 3 320.414 3.657 20 5 DHBDHN Cc1cc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765550 525521052 /nfs/dbraw/zinc/52/10/52/525521052.db2.gz HRXCAJOXGWQECB-ZBEGNZNMSA-N 0 3 320.414 3.657 20 5 DHBDHN Cc1cc(NCCCOCC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322927437 1013546244 /nfs/dbraw/zinc/54/62/44/1013546244.db2.gz MGVIDNPLQAKDQB-UHFFFAOYSA-N 0 3 315.373 3.680 20 5 DHBDHN COc1ccc(CN[C@H](C)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000049183681 1014221608 /nfs/dbraw/zinc/22/16/08/1014221608.db2.gz VISRVYFIVBZYEY-LLVKDONJSA-N 0 3 306.387 3.824 20 5 DHBDHN O=[N+]([O-])c1ccccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000068836727 1014314462 /nfs/dbraw/zinc/31/44/62/1014314462.db2.gz OQEYFPGQLKYKMP-OAHLLOKOSA-N 0 3 317.414 3.905 20 5 DHBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831593 1014744500 /nfs/dbraw/zinc/74/45/00/1014744500.db2.gz AZPMCKGOUBQUAG-HUUCEWRRSA-N 0 3 324.808 3.686 20 5 DHBDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000051234150 1015344541 /nfs/dbraw/zinc/34/45/41/1015344541.db2.gz OGZCLCNTHQREJO-CQSZACIVSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1[nH]c2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000065013602 1015417713 /nfs/dbraw/zinc/41/77/13/1015417713.db2.gz OMMWOCFYEMKFDO-UHFFFAOYSA-N 0 3 309.369 3.983 20 5 DHBDHN CCN(CCC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000760538018 1032687020 /nfs/dbraw/zinc/68/70/20/1032687020.db2.gz IHSDWKRULXUZFV-UHFFFAOYSA-N 0 3 314.389 3.538 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819256 1017456035 /nfs/dbraw/zinc/45/60/35/1017456035.db2.gz AMMLVCYWIWLXGP-WMZOPIPTSA-N 0 3 318.417 3.862 20 5 DHBDHN C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959325 1017560121 /nfs/dbraw/zinc/56/01/21/1017560121.db2.gz SDZIHUNHBWPZPE-OIBJUYFYSA-N 0 3 321.229 3.885 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000444659751 1017610531 /nfs/dbraw/zinc/61/05/31/1017610531.db2.gz DZJNWBHZEZGSAZ-BXUZGUMPSA-N 0 3 310.369 3.753 20 5 DHBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000444703449 1017641098 /nfs/dbraw/zinc/64/10/98/1017641098.db2.gz KTVHATDDQSTQLV-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN COCc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122064697 1018070489 /nfs/dbraw/zinc/07/04/89/1018070489.db2.gz VNJRMSSBSAWEAB-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977819 1018557358 /nfs/dbraw/zinc/55/73/58/1018557358.db2.gz LHGYJRHJIRQCKG-UONOGXRCSA-N 0 3 304.390 3.737 20 5 DHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3cccs3)CC2)cc1 ZINC000130727317 1019066596 /nfs/dbraw/zinc/06/65/96/1019066596.db2.gz NPFVBTLRYBKNAQ-UHFFFAOYSA-N 0 3 318.398 3.700 20 5 DHBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCOc2ccccc21 ZINC000611254772 1019421414 /nfs/dbraw/zinc/42/14/14/1019421414.db2.gz SBVWNGKVXOKNFK-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000613184894 1020845578 /nfs/dbraw/zinc/84/55/78/1020845578.db2.gz SKIGMMJKWRUZNB-JSGCOSHPSA-N 0 3 317.414 3.589 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850376322 1021497731 /nfs/dbraw/zinc/49/77/31/1021497731.db2.gz XLQHTVYCHMRRCG-SHDPZIPESA-N 0 3 324.380 3.766 20 5 DHBDHN CC1(C)[C@@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000850393428 1021506090 /nfs/dbraw/zinc/50/60/90/1021506090.db2.gz CKSAYKOCBNXRSS-LLVKDONJSA-N 0 3 304.724 3.629 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1CCCC(F)(F)C1 ZINC000695083595 1021507608 /nfs/dbraw/zinc/50/76/08/1021507608.db2.gz XFLUXEVBYOCKFR-LLVKDONJSA-N 0 3 304.724 3.916 20 5 DHBDHN CC(C)(C)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000746090120 1021850324 /nfs/dbraw/zinc/85/03/24/1021850324.db2.gz MUIWMNDBBSUFRQ-UHFFFAOYSA-N 0 3 311.813 3.559 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cs1 ZINC000619846224 1021921632 /nfs/dbraw/zinc/92/16/32/1021921632.db2.gz KLFYAROPEGZEMF-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN COCC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000341228953 1022057728 /nfs/dbraw/zinc/05/77/28/1022057728.db2.gz VZKCRXIPMHLVPJ-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN CN(Cc1cccc(Cl)c1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035289 1022221207 /nfs/dbraw/zinc/22/12/07/1022221207.db2.gz KARLPOILWUESCC-JQWIXIFHSA-N 0 3 317.216 3.871 20 5 DHBDHN CCC(CC)N(CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705100 1022334939 /nfs/dbraw/zinc/33/49/39/1022334939.db2.gz PUKSMRASZVLYMV-UHFFFAOYSA-N 0 3 314.813 3.885 20 5 DHBDHN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000616123417 1022647778 /nfs/dbraw/zinc/64/77/78/1022647778.db2.gz GCXDAYOQMNJFAX-IJLUTSLNSA-N 0 3 303.362 3.602 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCC(F)(F)F)CCCC2 ZINC000417316256 1022673162 /nfs/dbraw/zinc/67/31/62/1022673162.db2.gz UDOYIRYSVKZMCO-ZDUSSCGKSA-N 0 3 302.296 3.904 20 5 DHBDHN CN(C)[C@H](CNc1ccsc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068659183 1022715647 /nfs/dbraw/zinc/71/56/47/1022715647.db2.gz VLDZNKWJGRWIRO-CYBMUJFWSA-N 0 3 309.366 3.510 20 5 DHBDHN COc1cc(C)cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566475176 1022723366 /nfs/dbraw/zinc/72/33/66/1022723366.db2.gz KTORUIKQGPJAHJ-KRWDZBQOSA-N 0 3 312.369 3.689 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCOC3CCC3)o2)c1 ZINC000742385667 1022829404 /nfs/dbraw/zinc/82/94/04/1022829404.db2.gz NWNYVRZSYUQCDD-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN COC1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000053897403 1024080765 /nfs/dbraw/zinc/08/07/65/1024080765.db2.gz VXKPYEXAGQGDGG-UHFFFAOYSA-N 0 3 323.392 3.557 20 5 DHBDHN C[C@@H](C1CCCCC1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792880197 1024819493 /nfs/dbraw/zinc/81/94/93/1024819493.db2.gz BEUYCAUUZKOQKH-LBPRGKRZSA-N 0 3 321.377 3.904 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000804812676 1025485352 /nfs/dbraw/zinc/48/53/52/1025485352.db2.gz KQHXSIIHWGOHMQ-JSGCOSHPSA-N 0 3 323.824 3.620 20 5 DHBDHN C[C@@H](NC[C@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114506 1025514176 /nfs/dbraw/zinc/51/41/76/1025514176.db2.gz QOPHNTYNKTYORG-ZIAGYGMSSA-N 0 3 304.390 3.595 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)no1 ZINC000886683087 1025784042 /nfs/dbraw/zinc/78/40/42/1025784042.db2.gz WYHVIAXJTBFTEF-GFCCVEGCSA-N 0 3 315.373 3.571 20 5 DHBDHN CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000513446855 1026511136 /nfs/dbraw/zinc/51/11/36/1026511136.db2.gz JGWNPKJNLYGZIY-MRXNPFEDSA-N 0 3 306.406 3.684 20 5 DHBDHN CCS[C@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385009 1027175419 /nfs/dbraw/zinc/17/54/19/1027175419.db2.gz QBJWFJJNCJYKLM-ZFWWWQNUSA-N 0 3 324.446 3.709 20 5 DHBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385008 1027176071 /nfs/dbraw/zinc/17/60/71/1027176071.db2.gz QBJWFJJNCJYKLM-UKRRQHHQSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2ccc3cnn(C)c3c2)cc1[N+](=O)[O-] ZINC000562280726 1027340785 /nfs/dbraw/zinc/34/07/85/1027340785.db2.gz PAURQLQANCGDBM-CYBMUJFWSA-N 0 3 324.384 3.641 20 5 DHBDHN CC(COC(=O)c1sc2cc(F)ccc2c1Cl)[N+](=O)[O-] ZINC000813115618 1027534375 /nfs/dbraw/zinc/53/43/75/1027534375.db2.gz WKXLHDNLXYHIDI-LURJTMIESA-N 0 3 317.725 3.516 20 5 DHBDHN Cc1cccc2sc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c21 ZINC000813112149 1027535839 /nfs/dbraw/zinc/53/58/39/1027535839.db2.gz CLJRWNMWSMUUQI-QMMMGPOBSA-N 0 3 313.762 3.685 20 5 DHBDHN C[C@@H](NCc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423448956 1027548224 /nfs/dbraw/zinc/54/82/24/1027548224.db2.gz QZJZPUOQLIWBHH-CYBMUJFWSA-N 0 3 311.385 3.804 20 5 DHBDHN CC(C)c1ccc(CN2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000448361123 1027755678 /nfs/dbraw/zinc/75/56/78/1027755678.db2.gz VWWGJIGLTGOWPT-GDBMZVCRSA-N 0 3 320.433 3.844 20 5 DHBDHN Cc1cc([C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000364017062 1027797484 /nfs/dbraw/zinc/79/74/84/1027797484.db2.gz ZFTSMRXURVFKBI-HIFRSBDPSA-N 0 3 314.389 3.567 20 5 DHBDHN COc1cc(CN2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000564916335 1028517996 /nfs/dbraw/zinc/51/79/96/1028517996.db2.gz LRKYBUUPGYLJSY-FZMZJTMJSA-N 0 3 308.353 3.507 20 5 DHBDHN CC[C@@](C)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000449480205 1028679790 /nfs/dbraw/zinc/67/97/90/1028679790.db2.gz XVDOWENQCMHYBN-KRWDZBQOSA-N 0 3 318.373 3.760 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000449568432 1028809850 /nfs/dbraw/zinc/80/98/50/1028809850.db2.gz ZFTOIWZAAKFXHE-UHFFFAOYSA-N 0 3 318.323 3.738 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449687606 1028924988 /nfs/dbraw/zinc/92/49/88/1028924988.db2.gz QFHNHABNWFNPIM-SFHVURJKSA-N 0 3 318.417 3.721 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411894966 1029237706 /nfs/dbraw/zinc/23/77/06/1029237706.db2.gz UCVNPNQWTFPLAG-NJAPINKUSA-N 0 3 312.369 3.558 20 5 DHBDHN CCC(CC)N(CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570546314 1029383850 /nfs/dbraw/zinc/38/38/50/1029383850.db2.gz KIXHINBMBSXKEO-UHFFFAOYSA-N 0 3 318.377 3.655 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CCSC3(CCCCC3)C2)c1 ZINC000530710821 1029971095 /nfs/dbraw/zinc/97/10/95/1029971095.db2.gz NWRPPYPCLSNWGX-UHFFFAOYSA-N 0 3 306.431 3.847 20 5 DHBDHN Cc1csc([C@@H](C)N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256777 1030182771 /nfs/dbraw/zinc/18/27/71/1030182771.db2.gz POQRJFFLLOIHRP-GXSJLCMTSA-N 0 3 323.393 3.781 20 5 DHBDHN Cc1scc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000866430039 1030294813 /nfs/dbraw/zinc/29/48/13/1030294813.db2.gz QQAQOYDKRYVDTF-JTQLQIEISA-N 0 3 305.403 3.706 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000926494049 1030764339 /nfs/dbraw/zinc/76/43/39/1030764339.db2.gz YINLQSCZNGOTFR-VHSXEESVSA-N 0 3 313.195 3.561 20 5 DHBDHN CC1(C)SC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558790753 1030808144 /nfs/dbraw/zinc/80/81/44/1030808144.db2.gz OHAGLSWCGCTTTC-OAHLLOKOSA-N 0 3 318.398 3.838 20 5 DHBDHN Cc1c([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066085 1031060709 /nfs/dbraw/zinc/06/07/09/1031060709.db2.gz KRWVNEDXBQQPOE-DYVFJYSZSA-N 0 3 316.405 3.685 20 5 DHBDHN C[C@H](NCC[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126740 1031107715 /nfs/dbraw/zinc/10/77/15/1031107715.db2.gz ZJYOWZJLWAGZDZ-STQMWFEESA-N 0 3 322.380 3.876 20 5 DHBDHN C[C@@H](NCC[C@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126737 1031107728 /nfs/dbraw/zinc/10/77/28/1031107728.db2.gz ZJYOWZJLWAGZDZ-CHWSQXEVSA-N 0 3 322.380 3.876 20 5 DHBDHN C[C@@H](N[C@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047991 1031435261 /nfs/dbraw/zinc/43/52/61/1031435261.db2.gz FVKLPIZELAIZOQ-OLZOCXBDSA-N 0 3 322.380 3.876 20 5 DHBDHN CCOCCC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872050707 1031437522 /nfs/dbraw/zinc/43/75/22/1031437522.db2.gz CGBJVCZKPLDYHX-LBPRGKRZSA-N 0 3 310.369 3.591 20 5 DHBDHN C[C@@H](NC[C@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074830 1031471057 /nfs/dbraw/zinc/47/10/57/1031471057.db2.gz IVUSLBIQZFJCJY-OLZOCXBDSA-N 0 3 322.380 3.734 20 5 DHBDHN CO[C@@H]([C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078841 1031474436 /nfs/dbraw/zinc/47/44/36/1031474436.db2.gz SPSNCRPZFCUGKA-UVWXRNBGSA-N 0 3 324.446 3.781 20 5 DHBDHN C[C@@H](NCC[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083889 1031479335 /nfs/dbraw/zinc/47/93/35/1031479335.db2.gz BXCOQWATXMORPP-RNCFNFMXSA-N 0 3 302.296 3.820 20 5 DHBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000925309314 1031528687 /nfs/dbraw/zinc/52/86/87/1031528687.db2.gz XWINIJXVPVKIOQ-ZDUSSCGKSA-N 0 3 314.385 3.673 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H]1CC12CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876039 1031749039 /nfs/dbraw/zinc/74/90/39/1031749039.db2.gz MQHPNNOKOHNXLJ-OSAQELSMSA-N 0 3 321.348 3.656 20 5 DHBDHN CC([C@H](OC(=O)CCCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877626 1031750789 /nfs/dbraw/zinc/75/07/89/1031750789.db2.gz FTMDVXVIZNGKIS-BZNIZROVSA-N 0 3 309.337 3.656 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000846106145 1031879816 /nfs/dbraw/zinc/87/98/16/1031879816.db2.gz YBOHLIDOIOWJBR-JTQLQIEISA-N 0 3 321.179 3.798 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](c1ccncc1)C1CC1 ZINC000898321591 1032019902 /nfs/dbraw/zinc/01/99/02/1032019902.db2.gz SWTNKFXFNVAEIT-FUHWJXTLSA-N 0 3 309.369 3.718 20 5 DHBDHN C[C@]1(F)CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172905818 1033438217 /nfs/dbraw/zinc/43/82/17/1033438217.db2.gz UUHYVNNSNZLTPG-XIRDDKMYSA-N 0 3 324.371 3.614 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069563 1033515374 /nfs/dbraw/zinc/51/53/74/1033515374.db2.gz WWWIVPANBVEALJ-GUYCJALGSA-N 0 3 316.405 3.685 20 5 DHBDHN CC(C)CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000877966934 1033535321 /nfs/dbraw/zinc/53/53/21/1033535321.db2.gz ZOAMQWVQRUGSBO-UHFFFAOYSA-N 0 3 318.377 3.511 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(C)(C)CC2)c1F ZINC001173187620 1033583546 /nfs/dbraw/zinc/58/35/46/1033583546.db2.gz BCANQHPJBHOCQN-LBPRGKRZSA-N 0 3 324.396 3.796 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)c(F)c1F ZINC001173212603 1033614698 /nfs/dbraw/zinc/61/46/98/1033614698.db2.gz BIFWELAWBIKSEV-SNVBAGLBSA-N 0 3 324.302 3.733 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000878755602 1033817366 /nfs/dbraw/zinc/81/73/66/1033817366.db2.gz VWBGVCDDHIDXNC-QGZVFWFLSA-N 0 3 311.385 3.678 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667824 1034081334 /nfs/dbraw/zinc/08/13/34/1034081334.db2.gz UCYNDKDTZZKFMW-VXGBXAGGSA-N 0 3 300.280 3.582 20 5 DHBDHN COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000178649145 1034256117 /nfs/dbraw/zinc/25/61/17/1034256117.db2.gz WVPNZKQWIJNVES-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H]2C2CCOCC2)c1 ZINC000777438762 1034741790 /nfs/dbraw/zinc/74/17/90/1034741790.db2.gz DHAAOVAMASMMPF-INIZCTEOSA-N 0 3 324.808 3.639 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000555720957 1034875150 /nfs/dbraw/zinc/87/51/50/1034875150.db2.gz BLMYKAZIUQMOAA-GJZGRUSLSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@]1(c2ccc(F)cc2)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000482574743 1035138088 /nfs/dbraw/zinc/13/80/88/1035138088.db2.gz GHLZZICUEXSDCX-SFHVURJKSA-N 0 3 314.360 3.898 20 5 DHBDHN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)C ZINC000089885683 1035763864 /nfs/dbraw/zinc/76/38/64/1035763864.db2.gz OLSBLLQDBSELIE-UHFFFAOYSA-N 0 3 303.362 3.728 20 5 DHBDHN CCCCO[C@@H]1C[C@H](NCc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194191566 1035867938 /nfs/dbraw/zinc/86/79/38/1035867938.db2.gz MXWIPGOONZEGEQ-JKSUJKDBSA-N 0 3 324.396 3.807 20 5 DHBDHN CC1(C)CC[C@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181574656 1035942121 /nfs/dbraw/zinc/94/21/21/1035942121.db2.gz BFJRHMGOYJDHOM-GFCCVEGCSA-N 0 3 302.296 3.892 20 5 DHBDHN Cc1c([C@@H](C)NCCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000540171811 1035992760 /nfs/dbraw/zinc/99/27/60/1035992760.db2.gz AZRVPJSKLSNQOQ-CQSZACIVSA-N 0 3 306.406 3.903 20 5 DHBDHN Cc1ccc(CN(C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001195256909 1036193390 /nfs/dbraw/zinc/19/33/90/1036193390.db2.gz DNBXAONBRDQTAW-UHFFFAOYSA-N 0 3 306.406 3.681 20 5 DHBDHN CCC[C@H](CCO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001183335169 1036575589 /nfs/dbraw/zinc/57/55/89/1036575589.db2.gz HNCZYTRUOCQOEN-LLVKDONJSA-N 0 3 321.204 3.542 20 5 DHBDHN CC[C@@H](C)CN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628354 1036594872 /nfs/dbraw/zinc/59/48/72/1036594872.db2.gz UIKWATOKDMYMNT-SNVBAGLBSA-N 0 3 310.785 3.533 20 5 DHBDHN C[C@@H](CNCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001203864274 1036658808 /nfs/dbraw/zinc/65/88/08/1036658808.db2.gz LCYKBCZEZHLJQE-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN CC(C)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774831942 1037046847 /nfs/dbraw/zinc/04/68/47/1037046847.db2.gz FZVDHJKLLCUIEB-ZDUSSCGKSA-N 0 3 307.350 3.514 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000774854542 1037104305 /nfs/dbraw/zinc/10/43/05/1037104305.db2.gz WQKZNRWRWWJOFW-OAHLLOKOSA-N 0 3 319.361 3.658 20 5 DHBDHN CN(C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000057139519 1038573928 /nfs/dbraw/zinc/57/39/28/1038573928.db2.gz MOXKIJORUCKQFT-HNNXBMFYSA-N 0 3 321.327 3.588 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCC=CO2)o1 ZINC000780570163 1038924213 /nfs/dbraw/zinc/92/42/13/1038924213.db2.gz KXIJLSJUNAGRRI-CYBMUJFWSA-N 0 3 314.341 3.637 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCCC(F)(F)C1 ZINC000595022532 1039987766 /nfs/dbraw/zinc/98/77/66/1039987766.db2.gz MKMOGVFYUWJWLU-GHMZBOCLSA-N 0 3 314.332 3.832 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC(C(F)(F)F)C1 ZINC000595046910 1040051134 /nfs/dbraw/zinc/05/11/34/1040051134.db2.gz DDYHUMYHGOTLIV-IDKOKCKLSA-N 0 3 318.295 3.595 20 5 DHBDHN O=[N+]([O-])c1cc(F)ccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000595327811 1040100727 /nfs/dbraw/zinc/10/07/27/1040100727.db2.gz SGESCYQOHABNGJ-INIZCTEOSA-N 0 3 322.380 3.658 20 5 DHBDHN CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000595491300 1040152056 /nfs/dbraw/zinc/15/20/56/1040152056.db2.gz VFCYZBJMPSCCMI-AWEZNQCLSA-N 0 3 310.369 3.513 20 5 DHBDHN Cc1noc(CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595507088 1040156118 /nfs/dbraw/zinc/15/61/18/1040156118.db2.gz JVWOEXZJMKVCGG-ZLDLUXBVSA-N 0 3 315.373 3.658 20 5 DHBDHN Cc1noc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595507086 1040156178 /nfs/dbraw/zinc/15/61/78/1040156178.db2.gz JVWOEXZJMKVCGG-OSAQELSMSA-N 0 3 315.373 3.658 20 5 DHBDHN O=[N+]([O-])c1sccc1NC1CCN(Cc2ccccc2)CC1 ZINC000063256038 1040166790 /nfs/dbraw/zinc/16/67/90/1040166790.db2.gz SUFHYIKHTVFRKH-UHFFFAOYSA-N 0 3 317.414 3.733 20 5 DHBDHN CC1(C)C[C@@H](NCc2cccc(N)c2)c2cc([N+](=O)[O-])ccc21 ZINC000596653056 1040523142 /nfs/dbraw/zinc/52/31/42/1040523142.db2.gz ZDKAXIGNRCPEJO-QGZVFWFLSA-N 0 3 311.385 3.689 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000064114306 1040669354 /nfs/dbraw/zinc/66/93/54/1040669354.db2.gz PWIRZQOWPBZLKN-HNNXBMFYSA-N 0 3 321.352 3.822 20 5 DHBDHN CC(C)(CCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602677649 1041158830 /nfs/dbraw/zinc/15/88/30/1041158830.db2.gz XSNUYZBLYTZEOH-UHFFFAOYSA-N 0 3 303.362 3.652 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[C@@H]3c3ccccc3)nc2c1 ZINC000602716880 1041176334 /nfs/dbraw/zinc/17/63/34/1041176334.db2.gz KUWFHWMEFMNTBD-HUUCEWRRSA-N 0 3 323.352 3.772 20 5 DHBDHN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728398 185311683 /nfs/dbraw/zinc/31/16/83/185311683.db2.gz KJGHTGSQDPRQCX-PWSUYJOCSA-N 0 3 317.389 3.962 20 5 DHBDHN COCC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000323775679 335036969 /nfs/dbraw/zinc/03/69/69/335036969.db2.gz YUKNZUFEYJBCEG-UHFFFAOYSA-N 0 3 315.373 3.680 20 5 DHBDHN Cc1nc2ccccc2n1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122145209 132161900 /nfs/dbraw/zinc/16/19/00/132161900.db2.gz JNMUDWDYOPJSEH-ZDUSSCGKSA-N 0 3 324.384 3.604 20 5 DHBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)N(C)C)cc1 ZINC000520065460 332063496 /nfs/dbraw/zinc/06/34/96/332063496.db2.gz CMPFNVDKOIZCCZ-GOSISDBHSA-N 0 3 313.401 3.926 20 5 DHBDHN Cc1cccc(OCCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000537971961 332252911 /nfs/dbraw/zinc/25/29/11/332252911.db2.gz OKIFBGVBGNNFPB-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN Cc1cc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000562779032 332625779 /nfs/dbraw/zinc/62/57/79/332625779.db2.gz CLTOGOJHGZDYPE-GFCCVEGCSA-N 0 3 306.387 3.694 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110036 333001824 /nfs/dbraw/zinc/00/18/24/333001824.db2.gz UIWSLHYKBLEYKR-BBRMVZONSA-N 0 3 312.369 3.558 20 5 DHBDHN COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000518778719 333165477 /nfs/dbraw/zinc/16/54/77/333165477.db2.gz XKSYDAZWMVXZBS-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN COc1ccc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000525787621 333313579 /nfs/dbraw/zinc/31/35/79/333313579.db2.gz FUWIRZNOSSYMKD-BPLDGKMQSA-N 0 3 304.390 3.756 20 5 DHBDHN C[C@@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448732 333672091 /nfs/dbraw/zinc/67/20/91/333672091.db2.gz FJJQYJWZOKZOBE-ZTFRIQLXSA-N 0 3 300.333 3.941 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411892663 333710473 /nfs/dbraw/zinc/71/04/73/333710473.db2.gz MVAHOFKEAJWLLN-PJSAGSTRSA-N 0 3 312.369 3.558 20 5 DHBDHN COC1([C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000414529284 334008900 /nfs/dbraw/zinc/00/89/00/334008900.db2.gz VIAWMCKOUSTKJS-ZDUSSCGKSA-N 0 3 306.406 3.765 20 5 DHBDHN CCOCC(C)(C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292755251 334191935 /nfs/dbraw/zinc/19/19/35/334191935.db2.gz BKYSGQZWKYIUCU-UHFFFAOYSA-N 0 3 320.311 3.518 20 5 DHBDHN C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000388773367 334269994 /nfs/dbraw/zinc/26/99/94/334269994.db2.gz GFWUWAVVRHWXPO-KOLCDFICSA-N 0 3 317.311 3.508 20 5 DHBDHN CC[C@H]1C[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841851 334339449 /nfs/dbraw/zinc/33/94/49/334339449.db2.gz GAINNTTUHMWVAK-DOMZBBRYSA-N 0 3 315.373 3.870 20 5 DHBDHN C[C@H](N[C@@H](CO)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417372406 334764911 /nfs/dbraw/zinc/76/49/11/334764911.db2.gz VZHKXDSNGNVSKJ-XJKSGUPXSA-N 0 3 306.406 3.577 20 5 DHBDHN CCC[C@@H](NCC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313738 335240029 /nfs/dbraw/zinc/24/00/29/335240029.db2.gz ZODFBXCWWFYPQN-SJORKVTESA-N 0 3 320.433 3.823 20 5 DHBDHN CC(C)c1ccc(CNCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000344544274 335260388 /nfs/dbraw/zinc/26/03/88/335260388.db2.gz DYZXWXSEZLBTNE-UHFFFAOYSA-N 0 3 322.405 3.540 20 5 DHBDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000345700139 335343073 /nfs/dbraw/zinc/34/30/73/335343073.db2.gz JRAMHNOTRRHKIX-SJCJKPOMSA-N 0 3 318.348 3.600 20 5 DHBDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000345700144 335343254 /nfs/dbraw/zinc/34/32/54/335343254.db2.gz JRAMHNOTRRHKIX-SJKOYZFVSA-N 0 3 318.348 3.600 20 5 DHBDHN COCC[C@H]1CCCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338741 336169053 /nfs/dbraw/zinc/16/90/53/336169053.db2.gz QMVVWIOVHSQNFN-LSDHHAIUSA-N 0 3 306.406 3.794 20 5 DHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000301112677 336290601 /nfs/dbraw/zinc/29/06/01/336290601.db2.gz ZKIBQJPAJOSBRI-MRXNPFEDSA-N 0 3 321.327 3.588 20 5 DHBDHN CCO[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861176 336374795 /nfs/dbraw/zinc/37/47/95/336374795.db2.gz GJMAKMAEZFLMKU-IAGOWNOFSA-N 0 3 318.417 3.812 20 5 DHBDHN CC[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966404 336379914 /nfs/dbraw/zinc/37/99/14/336379914.db2.gz KNQZSFBQTLPTKM-HUUCEWRRSA-N 0 3 306.406 3.982 20 5 DHBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000358023796 336607023 /nfs/dbraw/zinc/60/70/23/336607023.db2.gz XSGITPXCMXSDJJ-KRWDZBQOSA-N 0 3 300.358 3.844 20 5 DHBDHN CC[C@H](NC[C@](C)(O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361886900 336776783 /nfs/dbraw/zinc/77/67/83/336776783.db2.gz NNCLIGYSSIEERJ-DLBZAZTESA-N 0 3 308.422 3.823 20 5 DHBDHN Cc1nc2c(s1)CCC[C@@H]2CNCc1ccc([N+](=O)[O-])cc1 ZINC000373576181 336965778 /nfs/dbraw/zinc/96/57/78/336965778.db2.gz XGIFAKISXCCJJZ-CYBMUJFWSA-N 0 3 317.414 3.569 20 5 DHBDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305183214 337017961 /nfs/dbraw/zinc/01/79/61/337017961.db2.gz WPXCBPSTMXARNP-RDTXWAMCSA-N 0 3 314.385 3.759 20 5 DHBDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305183212 337017998 /nfs/dbraw/zinc/01/79/98/337017998.db2.gz WPXCBPSTMXARNP-KDOFPFPSSA-N 0 3 314.385 3.759 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583704106 337092446 /nfs/dbraw/zinc/09/24/46/337092446.db2.gz VEIMFVNKCNNICQ-ZMSDIMECSA-N 0 3 304.390 3.519 20 5 DHBDHN CCOc1ccc([C@@H](C)NCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259656 337175558 /nfs/dbraw/zinc/17/55/58/337175558.db2.gz PMBFRDIAGUKFAJ-UKRRQHHQSA-N 0 3 322.405 3.603 20 5 DHBDHN Cc1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000321109227 337198782 /nfs/dbraw/zinc/19/87/82/337198782.db2.gz BAWNKVDWQMLWCJ-ZDUSSCGKSA-N 0 3 318.348 3.772 20 5 DHBDHN Cc1ccc(CNCC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000583781912 337332570 /nfs/dbraw/zinc/33/25/70/337332570.db2.gz JFINDLOFWPXNEP-UHFFFAOYSA-N 0 3 313.401 3.674 20 5 DHBDHN CCC[C@H](NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315060993 337980355 /nfs/dbraw/zinc/98/03/55/337980355.db2.gz ZORFFPQJMWZQGK-KRWDZBQOSA-N 0 3 305.422 3.512 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000426473122 338033179 /nfs/dbraw/zinc/03/31/79/338033179.db2.gz QNAQDRQHPIIIJQ-LRDDRELGSA-N 0 3 313.357 3.624 20 5 DHBDHN CCS[C@H]1CCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429683095 338087276 /nfs/dbraw/zinc/08/72/76/338087276.db2.gz INMHHSYETVMPBI-HIFRSBDPSA-N 0 3 312.410 3.888 20 5 DHBDHN CC[C@@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768935 338089374 /nfs/dbraw/zinc/08/93/74/338089374.db2.gz QYPRZHITLPAOPM-WBMJQRKESA-N 0 3 315.373 3.918 20 5 DHBDHN CC(C)(C)C[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272314 338188904 /nfs/dbraw/zinc/18/89/04/338188904.db2.gz HPAOMMLXDXHEOQ-BBRMVZONSA-N 0 3 320.433 3.704 20 5 DHBDHN CC(C)(C)C[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298407 338190177 /nfs/dbraw/zinc/19/01/77/338190177.db2.gz OOQKXUVVWMICHO-WBMJQRKESA-N 0 3 320.433 3.704 20 5 DHBDHN CC(C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435066932 338231588 /nfs/dbraw/zinc/23/15/88/338231588.db2.gz XDWMOAKVIZGHPO-ZDUSSCGKSA-N 0 3 317.389 3.994 20 5 DHBDHN C[C@@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000438121196 338333487 /nfs/dbraw/zinc/33/34/87/338333487.db2.gz YAJCAHXARNPGKI-ZDUSSCGKSA-N 0 3 314.360 3.896 20 5 DHBDHN CCC1(C)CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446830994 338537317 /nfs/dbraw/zinc/53/73/17/338537317.db2.gz ZGKIBSVTFHFOQR-UHFFFAOYSA-N 0 3 316.405 3.920 20 5 DHBDHN CCCC[C@H](COC)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546021 338555989 /nfs/dbraw/zinc/55/59/89/338555989.db2.gz ZRFWWQABPGOTNX-PBHICJAKSA-N 0 3 306.406 3.767 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)COC3)CCC2 ZINC000447589341 338559840 /nfs/dbraw/zinc/55/98/40/338559840.db2.gz XNLSKLVZHYTMLJ-IBGZPJMESA-N 0 3 324.380 3.792 20 5 DHBDHN C[C@@H]1CCCC[C@@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637455 338851684 /nfs/dbraw/zinc/85/16/84/338851684.db2.gz UXILCOAIBIVYLN-SJKOYZFVSA-N 0 3 320.389 3.520 20 5 DHBDHN C[C@@H]1CCCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618788 339038727 /nfs/dbraw/zinc/03/87/27/339038727.db2.gz SZLPAJGPWQTQKP-BZNIZROVSA-N 0 3 302.378 3.530 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459642986 339039919 /nfs/dbraw/zinc/03/99/19/339039919.db2.gz HPKMZYXTHNSOBS-XBXGTLAGSA-N 0 3 316.357 3.512 20 5 DHBDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027218 339101254 /nfs/dbraw/zinc/10/12/54/339101254.db2.gz CVHBEXPHEJRIPD-DAXOMENPSA-N 0 3 306.406 3.838 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493449 339119571 /nfs/dbraw/zinc/11/95/71/339119571.db2.gz LJJWIVSKZOWCLO-AAEUAGOBSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493453 339119587 /nfs/dbraw/zinc/11/95/87/339119587.db2.gz LJJWIVSKZOWCLO-WCQYABFASA-N 0 3 310.369 3.753 20 5 DHBDHN Cc1oc2ccccc2c1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000463724663 339124668 /nfs/dbraw/zinc/12/46/68/339124668.db2.gz BYXKCRDCKKYXLQ-UHFFFAOYSA-N 0 3 310.353 3.982 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000467460534 339239848 /nfs/dbraw/zinc/23/98/48/339239848.db2.gz TTXKWLXBHIIVIW-HOCLYGCPSA-N 0 3 320.433 3.743 20 5 DHBDHN C[C@@H](NC[C@H](C)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467835780 339247290 /nfs/dbraw/zinc/24/72/90/339247290.db2.gz YTVNYBRINDYHRD-LSDHHAIUSA-N 0 3 313.401 3.770 20 5 DHBDHN CC(C)C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000467979593 339250319 /nfs/dbraw/zinc/25/03/19/339250319.db2.gz BPPZJYNRUGLQNE-KRWDZBQOSA-N 0 3 313.401 3.909 20 5 DHBDHN COCC[C@H]1CCCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000468692170 339268829 /nfs/dbraw/zinc/26/88/29/339268829.db2.gz ZZEZSZSFDZWVFN-YXMGTMDOSA-N 0 3 318.417 3.747 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc2c(c1)COC2 ZINC000468737295 339269619 /nfs/dbraw/zinc/26/96/19/339269619.db2.gz FFGPNVPHNFFWHN-VGOFMYFVSA-N 0 3 324.380 3.818 20 5 DHBDHN CCS[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775199 339298894 /nfs/dbraw/zinc/29/88/94/339298894.db2.gz KKJRYQCTLMJCSB-CZUORRHYSA-N 0 3 324.446 3.757 20 5 DHBDHN CCOC[C@H]1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174962 339312786 /nfs/dbraw/zinc/31/27/86/339312786.db2.gz OIAINSPEFDPKPC-OBHPCNEJSA-N 0 3 318.417 3.747 20 5 DHBDHN Cc1ccc2[nH]c(CNCc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000472061574 339361703 /nfs/dbraw/zinc/36/17/03/339361703.db2.gz FKKMCQNORPAXIW-UHFFFAOYSA-N 0 3 309.369 3.983 20 5 DHBDHN COC1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000479484921 339537673 /nfs/dbraw/zinc/53/76/73/339537673.db2.gz AAYRUJYZSPLBMO-XOYHFGRZSA-N 0 3 306.406 3.841 20 5 DHBDHN Cc1c(CN[C@@H]2CCCO[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000481722487 339611278 /nfs/dbraw/zinc/61/12/78/339611278.db2.gz ZVEJPTGKRPNVEG-NVXWUHKLSA-N 0 3 306.406 3.587 20 5 DHBDHN CC(C)[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000498933992 340026502 /nfs/dbraw/zinc/02/65/02/340026502.db2.gz PESPWADCWHKZBG-KRWDZBQOSA-N 0 3 317.364 3.658 20 5 DHBDHN CCN(Cc1ccc(OC)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506994103 340204922 /nfs/dbraw/zinc/20/49/22/340204922.db2.gz CGSPSXKDQYKJNC-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN CC[C@H](CNCc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000402563213 340243082 /nfs/dbraw/zinc/24/30/82/340243082.db2.gz KZDAFPSRHPEDME-VIFPVBQESA-N 0 3 308.275 3.802 20 5 DHBDHN COC[C@H](C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000510434725 340299221 /nfs/dbraw/zinc/29/92/21/340299221.db2.gz GBCQNVBJIXBXJF-LBPRGKRZSA-N 0 3 320.414 3.790 20 5 DHBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933174 340315385 /nfs/dbraw/zinc/31/53/85/340315385.db2.gz MVJWFMAITDETOC-CJNGLKHVSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](c1ccc(F)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511081492 340320276 /nfs/dbraw/zinc/32/02/76/340320276.db2.gz NPPJFICVILRWRU-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCC1(C(F)(F)F)CCC1 ZINC000512977346 340386570 /nfs/dbraw/zinc/38/65/70/340386570.db2.gz KHCITLPPZSPROP-UHFFFAOYSA-N 0 3 302.296 3.725 20 5 DHBDHN CO[C@@](C)([C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631719 340425400 /nfs/dbraw/zinc/42/54/00/340425400.db2.gz XLKYPWDIZWMCRI-AHIWAGSCSA-N 0 3 306.406 3.757 20 5 DHBDHN CO[C@]1(C)C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000544352912 341077740 /nfs/dbraw/zinc/07/77/40/341077740.db2.gz DTEKIVJMSLZXPG-UKRRQHHQSA-N 0 3 312.797 3.541 20 5 DHBDHN CCC(CC)(CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000546165463 341155521 /nfs/dbraw/zinc/15/55/21/341155521.db2.gz GVXNHBDALPBWLF-ZDUSSCGKSA-N 0 3 322.405 3.533 20 5 DHBDHN COc1ccc(-c2ccc(CNC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287036 341210603 /nfs/dbraw/zinc/21/06/03/341210603.db2.gz VVNJMVLWWKGPAK-UHFFFAOYSA-N 0 3 304.346 3.752 20 5 DHBDHN COc1ccc([C@H](C)[C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512005 341405252 /nfs/dbraw/zinc/40/52/52/341405252.db2.gz JZBITHHYGFDSCI-ZIAGYGMSSA-N 0 3 314.385 3.885 20 5 DHBDHN COCc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158533758 341658753 /nfs/dbraw/zinc/65/87/53/341658753.db2.gz VNYUFVDZDQBNQM-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2CC(c3cc(F)cc(F)c3)C2)cc1 ZINC000568328215 341665441 /nfs/dbraw/zinc/66/54/41/341665441.db2.gz LBZOQHCNKTZPCO-UHFFFAOYSA-N 0 3 318.323 3.909 20 5 DHBDHN Cc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254339 341722513 /nfs/dbraw/zinc/72/25/13/341722513.db2.gz ALEAAOGKAAQCTL-BBRMVZONSA-N 0 3 312.369 3.558 20 5 DHBDHN Cc1ccc(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000576341123 341841289 /nfs/dbraw/zinc/84/12/89/341841289.db2.gz VUSBUUCLDRJRRH-KRWDZBQOSA-N 0 3 300.358 3.706 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CCCCC1(F)F ZINC000577077561 341883992 /nfs/dbraw/zinc/88/39/92/341883992.db2.gz QMDGUIXTWAVRLU-SMDDNHRTSA-N 0 3 310.344 3.997 20 5 DHBDHN CC(C)c1ccc(CN[C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339457047 519836290 /nfs/dbraw/zinc/83/62/90/519836290.db2.gz BQFLWDVEDCQUEN-GFCCVEGCSA-N 0 3 315.373 3.670 20 5 DHBDHN CC[C@@H](NC[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156989320 522858088 /nfs/dbraw/zinc/85/80/88/522858088.db2.gz ZQLXYNOWUGXNNL-GDBMZVCRSA-N 0 3 320.414 3.605 20 5 DHBDHN Cc1cc([C@H](C)NC[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765588 525518804 /nfs/dbraw/zinc/51/88/04/525518804.db2.gz HRXCAJOXGWQECB-MEDUHNTESA-N 0 3 320.414 3.657 20 5 DHBDHN C[C@@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000124509942 525601871 /nfs/dbraw/zinc/60/18/71/525601871.db2.gz NIWVUKZRDNCMDE-PEBVRCNWSA-N 0 3 318.348 3.507 20 5 DHBDHN Cc1ccc([C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130690237 525782609 /nfs/dbraw/zinc/78/26/09/525782609.db2.gz ALXBZHWSNQNHHM-KDOFPFPSSA-N 0 3 314.385 3.596 20 5 DHBDHN CCOc1ccc([C@@H](C)NCc2cccs2)cc1[N+](=O)[O-] ZINC000152598900 1033531311 /nfs/dbraw/zinc/53/13/11/1033531311.db2.gz BRAJCNPJLVFVJK-LLVKDONJSA-N 0 3 306.387 3.906 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C1CC1 ZINC000609195607 1013850039 /nfs/dbraw/zinc/85/00/39/1013850039.db2.gz RZFHFKTWGCHWFM-INIZCTEOSA-N 0 3 304.390 3.756 20 5 DHBDHN COc1ccc([C@@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025942600 1014465223 /nfs/dbraw/zinc/46/52/23/1014465223.db2.gz NOOFFUZQHJEROU-CYBMUJFWSA-N 0 3 300.358 3.796 20 5 DHBDHN C=C/C=C/CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000895540327 1015196263 /nfs/dbraw/zinc/19/62/63/1015196263.db2.gz CMNAGXOGOXIIKB-ONEGZZNKSA-N 0 3 317.208 3.641 20 5 DHBDHN CC(C)C[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581547 1015627345 /nfs/dbraw/zinc/62/73/45/1015627345.db2.gz SAZDPSXXUYQCOX-GFCCVEGCSA-N 0 3 303.362 3.747 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3C3CCC3)nc2c1 ZINC000610581334 1015629757 /nfs/dbraw/zinc/62/97/57/1015629757.db2.gz AOAOEWZVJDKQPT-CQSZACIVSA-N 0 3 301.346 3.501 20 5 DHBDHN CCc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000223448818 1015650729 /nfs/dbraw/zinc/65/07/29/1015650729.db2.gz VLYOIVWVMYPGEC-UHFFFAOYSA-N 0 3 306.387 3.517 20 5 DHBDHN Cc1c(CN(C)CCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000071950589 1016269270 /nfs/dbraw/zinc/26/92/70/1016269270.db2.gz XRAXVOWZKXDKOY-UHFFFAOYSA-N 0 3 314.385 3.804 20 5 DHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000071954211 1016278301 /nfs/dbraw/zinc/27/83/01/1016278301.db2.gz WASVFEWCECDWBE-NEPJUHHUSA-N 0 3 311.813 3.781 20 5 DHBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000294766801 1032146820 /nfs/dbraw/zinc/14/68/20/1032146820.db2.gz JVAJJOJDLUQKKH-UHFFFAOYSA-N 0 3 319.792 3.711 20 5 DHBDHN CC(C)c1ccc(CN(C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000093843939 1032561080 /nfs/dbraw/zinc/56/10/80/1032561080.db2.gz SPGZRXRXYLXVMV-UHFFFAOYSA-N 0 3 319.430 3.849 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000515379582 1012615040 /nfs/dbraw/zinc/61/50/40/1012615040.db2.gz HJQOIASGPZGEKD-HIFRSBDPSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000153566729 1017822962 /nfs/dbraw/zinc/82/29/62/1017822962.db2.gz OOQDECNRBCGXDF-AWEZNQCLSA-N 0 3 318.417 3.794 20 5 DHBDHN CCN(Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000052039476 1017933069 /nfs/dbraw/zinc/93/30/69/1017933069.db2.gz WAPLKTPNTKFTTK-UHFFFAOYSA-N 0 3 300.358 3.626 20 5 DHBDHN CCC[C@@]1(COC)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000447068312 1018322031 /nfs/dbraw/zinc/32/20/31/1018322031.db2.gz OIRNWJRHMBVTTN-INIZCTEOSA-N 0 3 310.369 3.515 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000526007966 1018429779 /nfs/dbraw/zinc/42/97/79/1018429779.db2.gz MYCOZEKCRKHVNC-OAHLLOKOSA-N 0 3 300.333 3.723 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000572987746 1018610663 /nfs/dbraw/zinc/61/06/63/1018610663.db2.gz FBJOKJMRACNRBO-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCc2c1cccc2F ZINC000584182482 1019002416 /nfs/dbraw/zinc/00/24/16/1019002416.db2.gz BTDSJQDBTBXOIB-DLBZAZTESA-N 0 3 312.344 3.998 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611258917 1019424828 /nfs/dbraw/zinc/42/48/28/1019424828.db2.gz GDIMFESEVNEMLO-CQSZACIVSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@@H]1CC[C@@H](C(F)(F)F)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555043 1019518398 /nfs/dbraw/zinc/51/83/98/1019518398.db2.gz KJEPFHNUOFOWTF-DGCLKSJQSA-N 0 3 316.323 3.800 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCc2cccnc21 ZINC000922880314 1020327660 /nfs/dbraw/zinc/32/76/60/1020327660.db2.gz CRZAQDCCWXXZIG-LWAXHKBTSA-N 0 3 309.369 3.670 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000555720956 1020368151 /nfs/dbraw/zinc/36/81/51/1020368151.db2.gz BLMYKAZIUQMOAA-CABCVRRESA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496975 1020549416 /nfs/dbraw/zinc/54/94/16/1020549416.db2.gz YOAYCJKEDSDQFX-RLCCDNCMSA-N 0 3 300.333 3.941 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411889692 1020628954 /nfs/dbraw/zinc/62/89/54/1020628954.db2.gz GKLYZEKOTBWTJK-RZAIGCCYSA-N 0 3 312.369 3.558 20 5 DHBDHN CC[C@H](C)[C@H]1CCCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052958 1020859119 /nfs/dbraw/zinc/85/91/19/1020859119.db2.gz FZALQAWPUPFYBG-XJKSGUPXSA-N 0 3 316.405 3.803 20 5 DHBDHN CN(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000580779068 1020860336 /nfs/dbraw/zinc/86/03/36/1020860336.db2.gz WBIDKTIMWKJPAV-HNNXBMFYSA-N 0 3 321.327 3.588 20 5 DHBDHN COc1ccc(CN2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000120127899 1021044066 /nfs/dbraw/zinc/04/40/66/1021044066.db2.gz KQYJASOECKAQJK-MRXNPFEDSA-N 0 3 312.369 3.593 20 5 DHBDHN CCO[C@@H]1C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198584 1021326000 /nfs/dbraw/zinc/32/60/00/1021326000.db2.gz FHKZQCQKJVJUIC-LSDHHAIUSA-N 0 3 318.398 3.590 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCSC(F)(F)F ZINC000850425554 1021524731 /nfs/dbraw/zinc/52/47/31/1021524731.db2.gz NSERMUCSKLVYQL-QMMMGPOBSA-N 0 3 324.324 3.507 20 5 DHBDHN COc1cc(C)cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566475179 1022722781 /nfs/dbraw/zinc/72/27/81/1022722781.db2.gz KTORUIKQGPJAHJ-QGZVFWFLSA-N 0 3 312.369 3.689 20 5 DHBDHN CCN(CC(=O)N(C)C)Cc1c2ccccc2cc2ccccc21 ZINC000768307110 1022944571 /nfs/dbraw/zinc/94/45/71/1022944571.db2.gz GSNOIOYUXJMCRS-UHFFFAOYSA-N 0 3 320.436 3.903 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OC(C)(C)C)CC1 ZINC000876636555 1033112044 /nfs/dbraw/zinc/11/20/44/1033112044.db2.gz YUMXVYRNGLESKP-UHFFFAOYSA-N 0 3 320.433 3.991 20 5 DHBDHN CN(CCc1cccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000093268074 1023591414 /nfs/dbraw/zinc/59/14/14/1023591414.db2.gz FAZGWZMTPHJMQL-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN CSc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788759500 1023930277 /nfs/dbraw/zinc/93/02/77/1023930277.db2.gz ULCZLXOJOMZKGM-LLVKDONJSA-N 0 3 317.414 3.750 20 5 DHBDHN CCC[C@H](NC[C@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007820 1024217491 /nfs/dbraw/zinc/21/74/91/1024217491.db2.gz QZFLEYSJHKADGT-HOTGVXAUSA-N 0 3 318.373 3.661 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3C=CCC3)cs2)c1 ZINC000883238934 1024311311 /nfs/dbraw/zinc/31/13/11/1024311311.db2.gz QZWVSQWVMGZCHJ-LBPRGKRZSA-N 0 3 315.398 3.774 20 5 DHBDHN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000539060876 1033260400 /nfs/dbraw/zinc/26/04/00/1033260400.db2.gz JYIMVEMOEKFBHW-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCCS1 ZINC000126475398 1033283823 /nfs/dbraw/zinc/28/38/23/1033283823.db2.gz FQIXIKQKVLLAIS-CYBMUJFWSA-N 0 3 300.811 3.624 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000072599967 1026781215 /nfs/dbraw/zinc/78/12/15/1026781215.db2.gz GNEIPZHGBJTYTN-HOCLYGCPSA-N 0 3 311.385 3.842 20 5 DHBDHN COC1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811488617 1027010639 /nfs/dbraw/zinc/01/06/39/1027010639.db2.gz FNWMLGQVTHICBP-UHFFFAOYSA-N 0 3 319.188 3.560 20 5 DHBDHN CCS[C@@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385006 1027175991 /nfs/dbraw/zinc/17/59/91/1027175991.db2.gz QBJWFJJNCJYKLM-DZGCQCFKSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])sc1-c1ccc(F)cc1 ZINC000813114592 1027535073 /nfs/dbraw/zinc/53/50/73/1027535073.db2.gz DIWBZDNLPPIAGT-JTQLQIEISA-N 0 3 323.345 3.685 20 5 DHBDHN C[C@H](N[C@@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875633 1027852085 /nfs/dbraw/zinc/85/20/85/1027852085.db2.gz UCUQGRVVBUAQBU-XJKSGUPXSA-N 0 3 304.390 3.737 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC2([C@@H]3CCCCO3)CCC2)c(F)c1 ZINC000601156405 1028004977 /nfs/dbraw/zinc/00/49/77/1028004977.db2.gz WHGMMGJUQKFGHB-INIZCTEOSA-N 0 3 322.380 3.563 20 5 DHBDHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591484 1028558645 /nfs/dbraw/zinc/55/86/45/1028558645.db2.gz ITCJTXOAGWVLKV-SJCJKPOMSA-N 0 3 311.385 3.824 20 5 DHBDHN CC1(C)OCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449416217 1028614968 /nfs/dbraw/zinc/61/49/68/1028614968.db2.gz SCZIMVSFCFCLPU-INIZCTEOSA-N 0 3 316.357 3.512 20 5 DHBDHN COC1([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000817579719 1029209984 /nfs/dbraw/zinc/20/99/84/1029209984.db2.gz DQFAPRZDJMIBHU-LLVKDONJSA-N 0 3 312.797 3.686 20 5 DHBDHN CC(C)(CNCc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000569314534 1029219806 /nfs/dbraw/zinc/21/98/06/1029219806.db2.gz BRFKLKUTHNHZLA-UHFFFAOYSA-N 0 3 300.358 3.542 20 5 DHBDHN Cc1cccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548795 1029911773 /nfs/dbraw/zinc/91/17/73/1029911773.db2.gz OLHXVDVICNBMIW-INIZCTEOSA-N 0 3 311.385 3.678 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CCSC2)C1 ZINC000451966816 1030074173 /nfs/dbraw/zinc/07/41/73/1030074173.db2.gz POUKIVDFJDMIJO-XJKSGUPXSA-N 0 3 306.431 3.875 20 5 DHBDHN COc1ccc(CN[C@H]2CCc3cccc(C)c32)cc1[N+](=O)[O-] ZINC000924842622 1030204267 /nfs/dbraw/zinc/20/42/67/1030204267.db2.gz SJTNYLDVDRXVRT-HNNXBMFYSA-N 0 3 312.369 3.689 20 5 DHBDHN Cc1ccc(CN[C@H](c2cccnc2)C2CCC2)cc1[N+](=O)[O-] ZINC000866540331 1030360466 /nfs/dbraw/zinc/36/04/66/1030360466.db2.gz LIWGTKDLHSHIGI-SFHVURJKSA-N 0 3 311.385 3.929 20 5 DHBDHN CCOc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000558735330 1030758307 /nfs/dbraw/zinc/75/83/07/1030758307.db2.gz LVUCVHQEDVVQFQ-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN C[C@@H](NC[C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926946345 1031009917 /nfs/dbraw/zinc/00/99/17/1031009917.db2.gz TUTOJNDWMBWNRY-HRDYMLBCSA-N 0 3 306.259 3.583 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000536677282 1031385634 /nfs/dbraw/zinc/38/56/34/1031385634.db2.gz IKIBCHOMUBJWHX-PKOBYXMFSA-N 0 3 308.381 3.757 20 5 DHBDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037721 1031421856 /nfs/dbraw/zinc/42/18/56/1031421856.db2.gz FNZGXYRMUHSJMK-TZCMFKBTSA-N 0 3 322.380 3.588 20 5 DHBDHN C[C@H](N[C@@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047992 1031435609 /nfs/dbraw/zinc/43/56/09/1031435609.db2.gz FVKLPIZELAIZOQ-QWHCGFSZSA-N 0 3 322.380 3.876 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOC1CCC1 ZINC000872055230 1031444678 /nfs/dbraw/zinc/44/46/78/1031444678.db2.gz GOKMQJCGABFTLX-LLVKDONJSA-N 0 3 310.419 3.536 20 5 DHBDHN CSCCCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062289 1031456322 /nfs/dbraw/zinc/45/63/22/1031456322.db2.gz FVLOTGUAOQWDQW-NSHDSACASA-N 0 3 300.399 3.918 20 5 DHBDHN C[C@H](NC[C@]1(C)CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063702 1031458056 /nfs/dbraw/zinc/45/80/56/1031458056.db2.gz SENPGLLNJMRRHC-GOPGUHFVSA-N 0 3 322.380 3.590 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CO)CC1CCC1 ZINC000872070255 1031464769 /nfs/dbraw/zinc/46/47/69/1031464769.db2.gz YHDQOXRVCLZGLE-DGCLKSJQSA-N 0 3 324.446 3.518 20 5 DHBDHN C[C@H](NC[C@@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077890 1031473593 /nfs/dbraw/zinc/47/35/93/1031473593.db2.gz NGFLHZJBGAJIOK-NWDGAFQWSA-N 0 3 310.369 3.590 20 5 DHBDHN C[C@H](NCC[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083891 1031478832 /nfs/dbraw/zinc/47/88/32/1031478832.db2.gz BXCOQWATXMORPP-ZANVPECISA-N 0 3 302.296 3.820 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000872260148 1031565671 /nfs/dbraw/zinc/56/56/71/1031565671.db2.gz JJTMQFUQFCBHEN-QGZVFWFLSA-N 0 3 318.417 3.827 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccc(N(C)C)c1 ZINC000873041324 1031699589 /nfs/dbraw/zinc/69/95/89/1031699589.db2.gz GHOFYPPNJWIONA-UHFFFAOYSA-N 0 3 313.401 3.567 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943287 1031712529 /nfs/dbraw/zinc/71/25/29/1031712529.db2.gz YTNCNTCLVMQOSO-QLJPJBMISA-N 0 3 315.348 3.654 20 5 DHBDHN CC([C@H](OC(=O)C1=CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877403 1031751083 /nfs/dbraw/zinc/75/10/83/1031751083.db2.gz PMSWQVWOGXHTKO-NHYWBVRUSA-N 0 3 307.321 3.576 20 5 DHBDHN CC([C@H](OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000845878558 1031752603 /nfs/dbraw/zinc/75/26/03/1031752603.db2.gz HILCQFGDNJSDDC-GFZQMZQVSA-N 0 3 321.348 3.511 20 5 DHBDHN Cc1c([C@@H](C)N[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000361678233 1032049804 /nfs/dbraw/zinc/04/98/04/1032049804.db2.gz PHYUKAGANUGIEZ-PBHICJAKSA-N 0 3 314.385 3.678 20 5 DHBDHN C[C@]1(F)CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001172905816 1033438020 /nfs/dbraw/zinc/43/80/20/1033438020.db2.gz UUHYVNNSNZLTPG-UAGQMJEPSA-N 0 3 324.371 3.614 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CCCC12CC2)c1ccccc1F)[N+](=O)[O-] ZINC000860854596 1033513931 /nfs/dbraw/zinc/51/39/31/1033513931.db2.gz DLHIBGPIEIINDD-ZLDLUXBVSA-N 0 3 321.348 3.656 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2[C@@H](C)CCC[C@@H]2C)c1F ZINC001173181059 1033581988 /nfs/dbraw/zinc/58/19/88/1033581988.db2.gz BGMKATIQIJKQHN-AVGNSLFASA-N 0 3 324.396 3.936 20 5 DHBDHN CC[C@H]1CCCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197364 1033590551 /nfs/dbraw/zinc/59/05/51/1033590551.db2.gz UNLUWAYDNLZKMY-OLZOCXBDSA-N 0 3 324.396 3.796 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](CF)c1ccccc1 ZINC001173231581 1033609379 /nfs/dbraw/zinc/60/93/79/1033609379.db2.gz AYJSSMCSABWYGE-CXAGYDPISA-N 0 3 302.349 3.826 20 5 DHBDHN Cc1csc([C@@H](C)N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212584 1033615191 /nfs/dbraw/zinc/61/51/91/1033615191.db2.gz BEOQZDUAHJDZAU-CMPLNLGQSA-N 0 3 305.403 3.642 20 5 DHBDHN CCC(CC)N(CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878623409 1033774256 /nfs/dbraw/zinc/77/42/56/1033774256.db2.gz MVRGYCBDWVKSGX-UHFFFAOYSA-N 0 3 318.377 3.655 20 5 DHBDHN CC(C)(NC[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878644414 1033780252 /nfs/dbraw/zinc/78/02/52/1033780252.db2.gz YXMCJEJBMIMMAT-CYBMUJFWSA-N 0 3 304.390 3.521 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nccs2)C1 ZINC000880313431 1034291171 /nfs/dbraw/zinc/29/11/71/1034291171.db2.gz AOTWRBKIPQUURG-WCQYABFASA-N 0 3 303.387 3.602 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCCCO2)CC1 ZINC000880453768 1034334564 /nfs/dbraw/zinc/33/45/64/1034334564.db2.gz RAOQQXFGIOCCPQ-CQSZACIVSA-N 0 3 304.390 3.691 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000600189670 1034797335 /nfs/dbraw/zinc/79/73/35/1034797335.db2.gz LWLWAPRZANXMAK-SUXDSQMHSA-N 0 3 304.415 3.578 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOC1CCCCC1 ZINC000568413685 1035323615 /nfs/dbraw/zinc/32/36/15/1035323615.db2.gz NDMYGUCSXWVIPB-INIZCTEOSA-N 0 3 304.390 3.521 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](OCC2CC2)C1 ZINC000494704450 1035772111 /nfs/dbraw/zinc/77/21/11/1035772111.db2.gz SEGYXWUZEQTRMZ-RHSMWYFYSA-N 0 3 318.417 3.855 20 5 DHBDHN CC(C)SCCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001181419241 1035904757 /nfs/dbraw/zinc/90/47/57/1035904757.db2.gz WVVOFFTVTOOYET-UHFFFAOYSA-N 0 3 322.352 3.845 20 5 DHBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000540434284 1036071236 /nfs/dbraw/zinc/07/12/36/1036071236.db2.gz IKMXMBNUDJUTGV-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN CC1(C)C[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540599975 1036112396 /nfs/dbraw/zinc/11/23/96/1036112396.db2.gz XBCCZFYVDUZIFG-GFCCVEGCSA-N 0 3 317.414 3.854 20 5 DHBDHN Cc1c(CN2CCC(OCCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000193106373 1036152789 /nfs/dbraw/zinc/15/27/89/1036152789.db2.gz XZBSUEZTMIRTLK-UHFFFAOYSA-N 0 3 320.433 3.930 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCOc1ccc(F)cc1 ZINC000541773867 1036428468 /nfs/dbraw/zinc/42/84/68/1036428468.db2.gz DHODOVRYEFDBCQ-UHFFFAOYSA-N 0 3 318.348 3.553 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000153329105 1037252511 /nfs/dbraw/zinc/25/25/11/1037252511.db2.gz VKKKSYYGJHGRPH-CYBMUJFWSA-N 0 3 322.405 3.603 20 5 DHBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000917040883 1038124749 /nfs/dbraw/zinc/12/47/49/1038124749.db2.gz WJTHIFYHYLLKPJ-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@@H]1[C@H](Nc2sccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000588854693 1038386693 /nfs/dbraw/zinc/38/66/93/1038386693.db2.gz AMPDOGPEJFXCEI-TZMCWYRMSA-N 0 3 317.414 3.731 20 5 DHBDHN CCC1(CC)[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001191743971 1038540615 /nfs/dbraw/zinc/54/06/15/1038540615.db2.gz XSWAZFNWUIJSAQ-CVEARBPZSA-N 0 3 306.406 3.620 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000590601794 1038675671 /nfs/dbraw/zinc/67/56/71/1038675671.db2.gz QMHUTOLJWFFCFN-GJZGRUSLSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC2(C(F)(F)F)CCCC2)c(F)c1 ZINC000599012789 1038998644 /nfs/dbraw/zinc/99/86/44/1038998644.db2.gz CQFYRIOHKYAVJV-UHFFFAOYSA-N 0 3 320.286 3.946 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(CC2(F)F)C1 ZINC000593696020 1039085175 /nfs/dbraw/zinc/08/51/75/1039085175.db2.gz ATZGKNJDOWPEGX-XCHKQJEOSA-N 0 3 308.328 3.729 20 5 DHBDHN Cc1ccc(OCCN(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000603842317 1039178967 /nfs/dbraw/zinc/17/89/67/1039178967.db2.gz RXPIUNOYRMJOHU-UHFFFAOYSA-N 0 3 314.385 3.722 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)N2CCCC2)s1 ZINC000604408764 1039456118 /nfs/dbraw/zinc/45/61/18/1039456118.db2.gz JWWZNDGJYDZUED-CQSZACIVSA-N 0 3 317.414 3.905 20 5 DHBDHN CCOc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594502096 1039805027 /nfs/dbraw/zinc/80/50/27/1039805027.db2.gz DOBBRUOSKXVYNJ-QGZVFWFLSA-N 0 3 312.369 3.771 20 5 DHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000059394332 1039951566 /nfs/dbraw/zinc/95/15/66/1039951566.db2.gz TZTOMMFMKOSGJE-INIZCTEOSA-N 0 3 321.327 3.588 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@]34C[C@H]3CCC4)cs2)c1 ZINC000594948813 1039961260 /nfs/dbraw/zinc/96/12/60/1039961260.db2.gz AGWUBPMAYMBUSZ-MLGOLLRUSA-N 0 3 315.398 3.751 20 5 DHBDHN COc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000595101033 1040065906 /nfs/dbraw/zinc/06/59/06/1040065906.db2.gz ALHWLOUWRKIFHF-INIZCTEOSA-N 0 3 312.369 3.689 20 5 DHBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)c(C(F)(F)F)c1 ZINC000060044071 1040348406 /nfs/dbraw/zinc/34/84/06/1040348406.db2.gz RNUXFAKREOXKNW-UHFFFAOYSA-N 0 3 317.311 3.511 20 5 DHBDHN CC(C)(C)OCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836868 1040625611 /nfs/dbraw/zinc/62/56/11/1040625611.db2.gz MCERDCXHEIDFMI-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CCCS1 ZINC000602570893 1041102340 /nfs/dbraw/zinc/10/23/40/1041102340.db2.gz XWSGDQHIEQIYSW-LLVKDONJSA-N 0 3 320.336 3.599 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000602857967 1041263333 /nfs/dbraw/zinc/26/33/33/1041263333.db2.gz ZNAXGOMQBLNQQG-YOEHRIQHSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](OCC(C)C)C1 ZINC000182845566 335003935 /nfs/dbraw/zinc/00/39/35/335003935.db2.gz VVNHUCHFPWARAM-ZBFHGGJFSA-N 0 3 306.406 3.711 20 5 DHBDHN CCCO[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093317016 193229631 /nfs/dbraw/zinc/22/96/31/193229631.db2.gz PZWYHAGZBCAPGU-MRXNPFEDSA-N 0 3 306.406 3.684 20 5 DHBDHN CC[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Br ZINC000042555438 183283707 /nfs/dbraw/zinc/28/37/07/183283707.db2.gz CXVLWZYYBFCGDL-UWVGGRQHSA-N 0 3 315.211 3.882 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000272670467 130051732 /nfs/dbraw/zinc/05/17/32/130051732.db2.gz SXBVOQXIPSTQLC-SNVBAGLBSA-N 0 3 323.755 3.676 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281047491 130834412 /nfs/dbraw/zinc/83/44/12/130834412.db2.gz QPMUBEDPWJTLDT-CGTJXYLNSA-N 0 3 318.417 3.500 20 5 DHBDHN Cc1ccc(-c2csc(C3(N)CCCC3)n2)cc1[N+](=O)[O-] ZINC000041164143 132146620 /nfs/dbraw/zinc/14/66/20/132146620.db2.gz AOQFWCOESYCJMX-UHFFFAOYSA-N 0 3 303.387 3.755 20 5 DHBDHN Cc1ncsc1CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000556444101 331704964 /nfs/dbraw/zinc/70/49/64/331704964.db2.gz WBXOMQVRRGJVQP-LLVKDONJSA-N 0 3 305.403 3.561 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358271 332441635 /nfs/dbraw/zinc/44/16/35/332441635.db2.gz YFKMBJYKACGQRK-DOMZBBRYSA-N 0 3 303.362 3.729 20 5 DHBDHN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000151002791 332676669 /nfs/dbraw/zinc/67/66/69/332676669.db2.gz JNYLRXDOHSVPIQ-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341651 333072490 /nfs/dbraw/zinc/07/24/90/333072490.db2.gz KCPMIQYLIJIGDE-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022529 333141084 /nfs/dbraw/zinc/14/10/84/333141084.db2.gz JRCHGEONUWCGNE-VBNZEHGJSA-N 0 3 306.406 3.838 20 5 DHBDHN CCCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000188792501 333159600 /nfs/dbraw/zinc/15/96/00/333159600.db2.gz UTCZYMBHQVPOHN-UHFFFAOYSA-N 0 3 314.385 3.982 20 5 DHBDHN CCOC1(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000319293039 333281171 /nfs/dbraw/zinc/28/11/71/333281171.db2.gz VFMIHKJMXBXTOC-INIZCTEOSA-N 0 3 306.406 3.985 20 5 DHBDHN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000414191588 333911602 /nfs/dbraw/zinc/91/16/02/333911602.db2.gz UJVGLWUVPMJRNI-XQAQDONZSA-N 0 3 300.333 3.941 20 5 DHBDHN Cc1cc(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271654493 334025212 /nfs/dbraw/zinc/02/52/12/334025212.db2.gz VWQDZANKGMURHX-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cc(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271654493 334025213 /nfs/dbraw/zinc/02/52/13/334025213.db2.gz VWQDZANKGMURHX-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1C[C@H]1c1ccccc1F ZINC000571655632 334073452 /nfs/dbraw/zinc/07/34/52/334073452.db2.gz NSFYPWSOAFIJJA-BHYGNILZSA-N 0 3 312.344 3.867 20 5 DHBDHN CC(C)c1ccc([C@H](N)CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000414850443 334123379 /nfs/dbraw/zinc/12/33/79/334123379.db2.gz SGJQRZINQHYHSE-OAHLLOKOSA-N 0 3 319.430 3.569 20 5 DHBDHN Cc1ccncc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349921 334706278 /nfs/dbraw/zinc/70/62/78/334706278.db2.gz NJDWDIYHGNRTJV-GOSISDBHSA-N 0 3 311.385 3.856 20 5 DHBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000189680541 334906016 /nfs/dbraw/zinc/90/60/16/334906016.db2.gz SJEUJPCDSVQTMH-CYBMUJFWSA-N 0 3 320.418 3.546 20 5 DHBDHN O=[N+]([O-])c1ccccc1CCN[C@H]1CCCOc2ccccc21 ZINC000344065280 335214537 /nfs/dbraw/zinc/21/45/37/335214537.db2.gz ODTVQZTXDWWHJS-INIZCTEOSA-N 0 3 312.369 3.641 20 5 DHBDHN CCCC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000444684505 338482363 /nfs/dbraw/zinc/48/23/63/338482363.db2.gz KICMRTQXYXWXML-AWEZNQCLSA-N 0 3 316.405 3.920 20 5 DHBDHN C[C@H]1CCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113338091 335706230 /nfs/dbraw/zinc/70/62/30/335706230.db2.gz JWDWBFDMYIRLQF-NHYWBVRUSA-N 0 3 317.414 3.997 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN(C)c1ccccc1 ZINC000532199995 335914941 /nfs/dbraw/zinc/91/49/41/335914941.db2.gz LJMIKMTXIFJQTB-HNNXBMFYSA-N 0 3 313.401 3.690 20 5 DHBDHN COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194356291 338516067 /nfs/dbraw/zinc/51/60/67/338516067.db2.gz NRQUAHGHQGJNTJ-UHFFFAOYSA-N 0 3 314.385 3.937 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(F)cc1)CCC2 ZINC000192589217 336165294 /nfs/dbraw/zinc/16/52/94/336165294.db2.gz JNXJMGKYQAERBP-QGZVFWFLSA-N 0 3 300.333 3.901 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000332317057 336167973 /nfs/dbraw/zinc/16/79/73/336167973.db2.gz MWTWDSWNRDVVPW-OLZOCXBDSA-N 0 3 317.414 3.992 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(F)c1)CCC2 ZINC000192636043 336204867 /nfs/dbraw/zinc/20/48/67/336204867.db2.gz XEFVBFDPAIIKAX-QGZVFWFLSA-N 0 3 300.333 3.901 20 5 DHBDHN CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000352771486 336236645 /nfs/dbraw/zinc/23/66/45/336236645.db2.gz YQWMDXKYMKBZSR-HNNXBMFYSA-N 0 3 300.358 3.844 20 5 DHBDHN COc1ccccc1C(C)(C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000103483927 336242055 /nfs/dbraw/zinc/24/20/55/336242055.db2.gz OAGOZDOOUAJCBN-UHFFFAOYSA-N 0 3 314.385 3.671 20 5 DHBDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000356274849 336543768 /nfs/dbraw/zinc/54/37/68/336543768.db2.gz RYMUGHXQOVMPLQ-SJKOYZFVSA-N 0 3 318.348 3.600 20 5 DHBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000358023797 336607005 /nfs/dbraw/zinc/60/70/05/336607005.db2.gz XSGITPXCMXSDJJ-QGZVFWFLSA-N 0 3 300.358 3.844 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239256 337049144 /nfs/dbraw/zinc/04/91/44/337049144.db2.gz MGISCYHPZNYCJZ-JKSUJKDBSA-N 0 3 318.417 3.577 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000182341526 337187993 /nfs/dbraw/zinc/18/79/93/337187993.db2.gz CEHKNBJKXZWPGD-UHFFFAOYSA-N 0 3 312.797 3.638 20 5 DHBDHN CCN(CCc1nccs1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182931507 337190777 /nfs/dbraw/zinc/19/07/77/337190777.db2.gz NHDWDIRKVJTFCU-ZDUSSCGKSA-N 0 3 319.430 3.985 20 5 DHBDHN CC[C@H](NC[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288136 337255245 /nfs/dbraw/zinc/25/52/45/337255245.db2.gz JSGJNQJLYYHOBW-IRXDYDNUSA-N 0 3 312.369 3.639 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](c1cccnc1)C1CC1 ZINC000514679916 337389522 /nfs/dbraw/zinc/38/95/22/337389522.db2.gz RCYRJBPBKRQNRD-AEFFLSMTSA-N 0 3 309.369 3.718 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OC2CCC2)CC1 ZINC000419301672 337478791 /nfs/dbraw/zinc/47/87/91/337478791.db2.gz LQBNFAVTSRXKSG-CQSZACIVSA-N 0 3 318.417 3.998 20 5 DHBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000248447883 337565205 /nfs/dbraw/zinc/56/52/05/337565205.db2.gz HPETYKFEYGWBOZ-NWANDNLSSA-N 0 3 324.808 3.541 20 5 DHBDHN C[C@@H](NCc1ccc2c(c1)CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423454755 337720300 /nfs/dbraw/zinc/72/03/00/337720300.db2.gz ZNJDMTBHWLAMLM-CYBMUJFWSA-N 0 3 311.385 3.804 20 5 DHBDHN Cc1cc(N)cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000423488888 337722535 /nfs/dbraw/zinc/72/25/35/337722535.db2.gz ZLFNJWYWSRJMSU-GOSISDBHSA-N 0 3 311.385 3.653 20 5 DHBDHN Cc1ccc(OCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536859945 337746534 /nfs/dbraw/zinc/74/65/34/337746534.db2.gz VEWQOGLXCGABQE-CQSZACIVSA-N 0 3 300.358 3.633 20 5 DHBDHN CCC[C@@H](NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315061001 337980312 /nfs/dbraw/zinc/98/03/12/337980312.db2.gz ZORFFPQJMWZQGK-QGZVFWFLSA-N 0 3 305.422 3.512 20 5 DHBDHN C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933869 338195874 /nfs/dbraw/zinc/19/58/74/338195874.db2.gz YRIWHSGMPLBZDU-RDTXWAMCSA-N 0 3 313.401 3.548 20 5 DHBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000435235372 338234988 /nfs/dbraw/zinc/23/49/88/338234988.db2.gz DKSPVGGAMFIHGT-UHFFFAOYSA-N 0 3 314.332 3.818 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cs1 ZINC000435750205 338248004 /nfs/dbraw/zinc/24/80/04/338248004.db2.gz XDCOYJRZXRUQRM-YEORSEQZSA-N 0 3 324.352 3.970 20 5 DHBDHN CO[C@H]1CCCC[C@@H]1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442819119 338433514 /nfs/dbraw/zinc/43/35/14/338433514.db2.gz HSDOMRKJHWFVQR-IKGGRYGDSA-N 0 3 304.390 3.519 20 5 DHBDHN CC1(C)CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446830401 338537307 /nfs/dbraw/zinc/53/73/07/338537307.db2.gz RXEZGXMPLZCDNH-NSHDSACASA-N 0 3 302.378 3.530 20 5 DHBDHN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000447592498 338560319 /nfs/dbraw/zinc/56/03/19/338560319.db2.gz LWLNJYBTIWDXJY-VUCTXSBTSA-N 0 3 304.390 3.519 20 5 DHBDHN CO[C@@](C)(CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000449485404 338629643 /nfs/dbraw/zinc/62/96/43/338629643.db2.gz QEGITIWCQSZBMO-SFHVURJKSA-N 0 3 314.385 3.555 20 5 DHBDHN CN1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000449647223 338644140 /nfs/dbraw/zinc/64/41/40/338644140.db2.gz DCJAEZGSASVZMF-KRWDZBQOSA-N 0 3 311.385 3.656 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452033521 338751648 /nfs/dbraw/zinc/75/16/48/338751648.db2.gz GXNTXRISPRKSLK-UKRRQHHQSA-N 0 3 312.797 3.686 20 5 DHBDHN CO[C@@H]([C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453338962 338827401 /nfs/dbraw/zinc/82/74/01/338827401.db2.gz BGVBAJVRTZCKQJ-GOPGUHFVSA-N 0 3 318.417 3.720 20 5 DHBDHN CC(C)OC1CC(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459524962 339034137 /nfs/dbraw/zinc/03/41/37/339034137.db2.gz XANUNLYLRGTSFI-ZLPCBKJTSA-N 0 3 318.417 3.730 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@H]1c1ccccc1F ZINC000459658363 339041128 /nfs/dbraw/zinc/04/11/28/339041128.db2.gz PMMRGASWYSGWGA-DOTOQJQBSA-N 0 3 300.333 3.688 20 5 DHBDHN CCC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000459753296 339046241 /nfs/dbraw/zinc/04/62/41/339046241.db2.gz LXSTWJRIWZWAKH-INIZCTEOSA-N 0 3 320.389 3.520 20 5 DHBDHN COc1cc(C[NH2+]CCC2=CCCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000463696920 339124050 /nfs/dbraw/zinc/12/40/50/339124050.db2.gz GJNZNEGWFBISBS-UHFFFAOYSA-N 0 3 320.389 3.679 20 5 DHBDHN Cc1ccc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067271 339132763 /nfs/dbraw/zinc/13/27/63/339132763.db2.gz BROJWLGTBCLVGV-JKSUJKDBSA-N 0 3 306.406 3.585 20 5 DHBDHN COc1cc(CN(C(C)C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000464689296 339148904 /nfs/dbraw/zinc/14/89/04/339148904.db2.gz JPYYVVFZVAQWAX-UHFFFAOYSA-N 0 3 310.369 3.896 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000467982200 339250468 /nfs/dbraw/zinc/25/04/68/339250468.db2.gz HDTOEACAARETAZ-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN CC[C@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183905 339313304 /nfs/dbraw/zinc/31/33/04/339313304.db2.gz SVOCJPFCNZDDLI-WQMJKPAKSA-N 0 3 306.431 3.826 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CCCCC1 ZINC000473736237 339391019 /nfs/dbraw/zinc/39/10/19/339391019.db2.gz PBSQPVWEXQZQBX-GOSISDBHSA-N 0 3 320.433 3.746 20 5 DHBDHN CC(C)[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000475226870 339442423 /nfs/dbraw/zinc/44/24/23/339442423.db2.gz ADEWBGBJBFHDIN-CHWSQXEVSA-N 0 3 316.405 3.776 20 5 DHBDHN CC1(c2ccccc2)CC(NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000478236650 339511078 /nfs/dbraw/zinc/51/10/78/339511078.db2.gz ULUOYSUWRSDKCH-UHFFFAOYSA-N 0 3 314.360 3.944 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714621 339672432 /nfs/dbraw/zinc/67/24/32/339672432.db2.gz PINVVOZZNKECJY-KBRIMQKVSA-N 0 3 318.417 3.902 20 5 DHBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000487945585 339766567 /nfs/dbraw/zinc/76/65/67/339766567.db2.gz VIHJORDYFWZRIP-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488431068 339781762 /nfs/dbraw/zinc/78/17/62/339781762.db2.gz KIDMOPAISYBWTD-IUODEOHRSA-N 0 3 324.446 3.613 20 5 DHBDHN CC(C)c1ccc(CN[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000509446199 340269798 /nfs/dbraw/zinc/26/97/98/340269798.db2.gz GUIUPVSSVGDTTK-MRXNPFEDSA-N 0 3 320.433 3.749 20 5 DHBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933171 340315512 /nfs/dbraw/zinc/31/55/12/340315512.db2.gz MVJWFMAITDETOC-BBRMVZONSA-N 0 3 312.369 3.639 20 5 DHBDHN CC[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000510950731 340316097 /nfs/dbraw/zinc/31/60/97/340316097.db2.gz JXSCWUYDVJRQKW-ZDUSSCGKSA-N 0 3 324.384 3.755 20 5 DHBDHN CCc1cnc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173452418 340365266 /nfs/dbraw/zinc/36/52/66/340365266.db2.gz ODGZMMCYYJMNKV-NSHDSACASA-N 0 3 305.403 3.507 20 5 DHBDHN CN(CCc1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000512683564 340372971 /nfs/dbraw/zinc/37/29/71/340372971.db2.gz UPLARFXGRKBUKI-UHFFFAOYSA-N 0 3 304.777 3.923 20 5 DHBDHN C[C@H](NCC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027905 340389230 /nfs/dbraw/zinc/38/92/30/340389230.db2.gz QTECEUJXHHYLMR-BPJJOFIESA-N 0 3 322.368 3.835 20 5 DHBDHN COc1ccc(CN2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000513713700 340421231 /nfs/dbraw/zinc/42/12/31/340421231.db2.gz RWWKLWLRJJNVPG-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000230693861 340620683 /nfs/dbraw/zinc/62/06/83/340620683.db2.gz IMFZHOOCFWTKQA-SECBINFHSA-N 0 3 311.794 3.598 20 5 DHBDHN Cc1cc(NCCc2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326337892 340714115 /nfs/dbraw/zinc/71/41/15/340714115.db2.gz JVUZFNIQRQOQLY-UHFFFAOYSA-N 0 3 323.352 3.812 20 5 DHBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000538187033 340812339 /nfs/dbraw/zinc/81/23/39/340812339.db2.gz FOCDHDBVANYKBP-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOC1CCCCC1 ZINC000539074154 340870674 /nfs/dbraw/zinc/87/06/74/340870674.db2.gz VFPQFXMRWMGQFF-AWEZNQCLSA-N 0 3 306.406 3.903 20 5 DHBDHN CCc1cnc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000130283942 341013028 /nfs/dbraw/zinc/01/30/28/341013028.db2.gz HCTIUTSNZITURB-LBPRGKRZSA-N 0 3 319.430 3.815 20 5 DHBDHN CC(C)c1ccc(CN[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180289 341073244 /nfs/dbraw/zinc/07/32/44/341073244.db2.gz FGCDVKUSJCAKQG-MSOLQXFVSA-N 0 3 318.417 3.765 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131443920 341089040 /nfs/dbraw/zinc/08/90/40/341089040.db2.gz IGIYCVZQKICEEK-KDOFPFPSSA-N 0 3 314.385 3.942 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCNCc2cc(F)cc(Cl)c2)cc1 ZINC000547931770 341239531 /nfs/dbraw/zinc/23/95/31/341239531.db2.gz SQMVVUWOZVXAKH-UHFFFAOYSA-N 0 3 324.739 3.556 20 5 DHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000078613106 341244928 /nfs/dbraw/zinc/24/49/28/341244928.db2.gz PIVRHMURQZVFSM-MRXNPFEDSA-N 0 3 317.389 3.991 20 5 DHBDHN CC1(C)CC(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000548699998 341269786 /nfs/dbraw/zinc/26/97/86/341269786.db2.gz VMOVQPMGUMORTH-UHFFFAOYSA-N 0 3 314.332 3.722 20 5 DHBDHN COCc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080346888 341272985 /nfs/dbraw/zinc/27/29/85/341272985.db2.gz GEPXWLVNKGCHSZ-UHFFFAOYSA-N 0 3 314.385 3.766 20 5 DHBDHN C[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000248576392 341380325 /nfs/dbraw/zinc/38/03/25/341380325.db2.gz TXXASSPJDMPGFY-NTZNESFSSA-N 0 3 303.362 3.650 20 5 DHBDHN COc1ccc([C@@H](C)[C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512009 341405227 /nfs/dbraw/zinc/40/52/27/341405227.db2.gz JZBITHHYGFDSCI-KBPBESRZSA-N 0 3 314.385 3.885 20 5 DHBDHN Cc1cccnc1C(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000554993528 341472117 /nfs/dbraw/zinc/47/21/17/341472117.db2.gz CGFMVANNTHHVCX-CQSZACIVSA-N 0 3 313.401 3.927 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[C@H](F)C2)c1 ZINC000577869643 341945232 /nfs/dbraw/zinc/94/52/32/341945232.db2.gz VHSNSTBYRKANMP-WDEREUQCSA-N 0 3 318.295 3.567 20 5 DHBDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178823419 341966527 /nfs/dbraw/zinc/96/65/27/341966527.db2.gz KRJQNNSXEDEOHA-DCGLDWPTSA-N 0 3 312.369 3.810 20 5 DHBDHN CCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000267398069 521009491 /nfs/dbraw/zinc/00/94/91/521009491.db2.gz FINHXNLJGSOLSV-CYBMUJFWSA-N 0 3 300.358 3.844 20 5 DHBDHN CCCN(CCC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267901680 521650075 /nfs/dbraw/zinc/65/00/75/521650075.db2.gz LNJIQXQXYXRIDW-GFCCVEGCSA-N 0 3 318.377 3.828 20 5 DHBDHN CCc1nc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000157141505 522285758 /nfs/dbraw/zinc/28/57/58/522285758.db2.gz BELMCVQSRVSQLB-LLVKDONJSA-N 0 3 305.403 3.507 20 5 DHBDHN COC(C)(C)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000237133945 522506572 /nfs/dbraw/zinc/50/65/72/522506572.db2.gz HEKBOKXHEJHSNY-SNVBAGLBSA-N 0 3 300.786 3.541 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131500126 523539739 /nfs/dbraw/zinc/53/97/39/523539739.db2.gz XJJYJNOMAQZDBY-DYVFJYSZSA-N 0 3 300.358 3.633 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H]2CCCO2)CC1 ZINC000189249503 526087176 /nfs/dbraw/zinc/08/71/76/526087176.db2.gz VWNSOCZWFPHKEW-RDTXWAMCSA-N 0 3 318.417 3.855 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](OCC(C)C)C1 ZINC000245534023 526090684 /nfs/dbraw/zinc/09/06/84/526090684.db2.gz VVNHUCHFPWARAM-GOEBONIOSA-N 0 3 306.406 3.711 20 5 DHBDHN Cc1nc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000127728633 526829169 /nfs/dbraw/zinc/82/91/69/526829169.db2.gz YBDVHJDMUKGKJJ-GFCCVEGCSA-N 0 3 319.430 3.870 20 5 DHBDHN CC1(C)OCC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295125670 535000073 /nfs/dbraw/zinc/00/00/73/535000073.db2.gz AIIMKKURWFGDQG-LLVKDONJSA-N 0 3 319.188 3.559 20 5 DHBDHN CCOC1CC2(C1)CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000285638708 535397832 /nfs/dbraw/zinc/39/78/32/535397832.db2.gz ZELVNJXGBQDDBP-IGEOTXOUSA-N 0 3 304.390 3.547 20 5 DHBDHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341920 1013949743 /nfs/dbraw/zinc/94/97/43/1013949743.db2.gz JDFYZFSGJPDSIF-LSDHHAIUSA-N 0 3 311.385 3.524 20 5 DHBDHN C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1[C@H](C)CC[C@H]1C ZINC000276269680 1014911225 /nfs/dbraw/zinc/91/12/25/1014911225.db2.gz ZJRVJEKPWRQYTL-IJLUTSLNSA-N 0 3 316.361 3.579 20 5 DHBDHN C[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000895306095 1015038599 /nfs/dbraw/zinc/03/85/99/1015038599.db2.gz FVLXTQPJQUEKDE-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H]1C[C@H](C)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000127262898 1015256919 /nfs/dbraw/zinc/25/69/19/1015256919.db2.gz YJRIKRLDZAWVPY-VXGBXAGGSA-N 0 3 303.362 3.604 20 5 DHBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000479430974 1016953481 /nfs/dbraw/zinc/95/34/81/1016953481.db2.gz YMLUYKZPMDSBRF-UHFFFAOYSA-N 0 3 312.797 3.687 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000515379584 1012613588 /nfs/dbraw/zinc/61/35/88/1012613588.db2.gz HJQOIASGPZGEKD-ZFWWWQNUSA-N 0 3 324.808 3.639 20 5 DHBDHN CC[C@@H](C)[C@H](C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609441 1017588617 /nfs/dbraw/zinc/58/86/17/1017588617.db2.gz NCQPGHHXESBWSV-NEPJUHHUSA-N 0 3 316.405 3.870 20 5 DHBDHN CC[C@@H]1CCCC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686862 1017615365 /nfs/dbraw/zinc/61/53/65/1017615365.db2.gz UHSZBRBWSILBPI-WBMJQRKESA-N 0 3 316.405 3.872 20 5 DHBDHN CCSCC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168132485 1018698998 /nfs/dbraw/zinc/69/89/98/1018698998.db2.gz VSDLMDYPLVIAGT-JTQLQIEISA-N 0 3 302.827 3.870 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000765305424 1018750907 /nfs/dbraw/zinc/75/09/07/1018750907.db2.gz PFVWJVUIQUNRJI-KBPBESRZSA-N 0 3 314.385 3.807 20 5 DHBDHN CCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312403 1019265097 /nfs/dbraw/zinc/26/50/97/1019265097.db2.gz SDSJJWAZAXAATC-UHFFFAOYSA-N 0 3 305.403 3.998 20 5 DHBDHN CC(C)C[C@@H]1C[C@H]1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001202761118 1032819741 /nfs/dbraw/zinc/81/97/41/1032819741.db2.gz ZZELEQBQBDARFM-ZWNOBZJWSA-N 0 3 314.332 3.720 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCCC2(CCOCC2)C1 ZINC000611272270 1019429041 /nfs/dbraw/zinc/42/90/41/1019429041.db2.gz UVMGFBMAHYHZIF-UTCJRWHESA-N 0 3 316.401 3.501 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCC2SCCS2)c(Cl)c1 ZINC000693829676 1019492940 /nfs/dbraw/zinc/49/29/40/1019492940.db2.gz LNGHHLLXFRLDKW-UHFFFAOYSA-N 0 3 318.851 3.534 20 5 DHBDHN C[C@@H](CN(C)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000727427989 1019713257 /nfs/dbraw/zinc/71/32/57/1019713257.db2.gz LCBBYBJGAFNRID-AWEZNQCLSA-N 0 3 324.384 3.638 20 5 DHBDHN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CCc2ccccc21 ZINC001171740772 1032877485 /nfs/dbraw/zinc/87/74/85/1032877485.db2.gz GXCJQCVCXWIRDU-LBPRGKRZSA-N 0 3 302.399 3.818 20 5 DHBDHN CCC[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612539153 1020611273 /nfs/dbraw/zinc/61/12/73/1020611273.db2.gz VXNVXUQJPYWWLO-LBPRGKRZSA-N 0 3 303.362 3.891 20 5 DHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000613184937 1020844502 /nfs/dbraw/zinc/84/45/02/1020844502.db2.gz ZBACJVYBLUDEEV-TZMCWYRMSA-N 0 3 317.414 3.589 20 5 DHBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380361 1020884231 /nfs/dbraw/zinc/88/42/31/1020884231.db2.gz RJOXTDGARLKCOB-GTNSWQLSSA-N 0 3 322.368 3.809 20 5 DHBDHN COc1cc(CN[C@@H](C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000452083491 1021183408 /nfs/dbraw/zinc/18/34/08/1021183408.db2.gz JWWXEXRAUJCCFU-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN CCN(CC)[C@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000066808747 1022272000 /nfs/dbraw/zinc/27/20/00/1022272000.db2.gz CMKWNYWIQXUVBY-CQSZACIVSA-N 0 3 320.418 3.546 20 5 DHBDHN CC[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000616487716 1022548159 /nfs/dbraw/zinc/54/81/59/1022548159.db2.gz NJLFJZNYECLHHV-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342658 1022818527 /nfs/dbraw/zinc/81/85/27/1022818527.db2.gz JAFTWLISGHTOBN-GUYCJALGSA-N 0 3 300.358 3.633 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637932 1023917459 /nfs/dbraw/zinc/91/74/59/1023917459.db2.gz CGBKBQIBNDLUFE-QLJPJBMISA-N 0 3 315.348 3.654 20 5 DHBDHN CC[C@H](NC[C@@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806045 1024166031 /nfs/dbraw/zinc/16/60/31/1024166031.db2.gz RWLPYPQHDHOSCW-DLBZAZTESA-N 0 3 318.348 3.508 20 5 DHBDHN C[C@@H](Cc1ccc(O)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000105447172 1024379208 /nfs/dbraw/zinc/37/92/08/1024379208.db2.gz VYTQOAFXQASOAY-NSHDSACASA-N 0 3 320.776 3.675 20 5 DHBDHN C[C@@H]1CC[C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624385 1024548636 /nfs/dbraw/zinc/54/86/36/1024548636.db2.gz CKHHNMZIXGIHQY-DOMZBBRYSA-N 0 3 316.357 3.512 20 5 DHBDHN COc1cc(CN(C)C2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000349524807 1024724076 /nfs/dbraw/zinc/72/40/76/1024724076.db2.gz SMJDBMUENUPDJX-UHFFFAOYSA-N 0 3 322.405 3.623 20 5 DHBDHN C[C@H](N(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(C)(C)C ZINC000728897214 1024790753 /nfs/dbraw/zinc/79/07/53/1024790753.db2.gz LSNPBPAPCCUQJT-ZDUSSCGKSA-N 0 3 316.405 3.782 20 5 DHBDHN COc1cc(CN2C[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884233 1025280055 /nfs/dbraw/zinc/28/00/55/1025280055.db2.gz WIBUCUFZIHWPIH-OLZOCXBDSA-N 0 3 322.405 3.623 20 5 DHBDHN Cc1nc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])sc1C ZINC000897459398 1025359369 /nfs/dbraw/zinc/35/93/69/1025359369.db2.gz LRLQENIESASIDO-JTQLQIEISA-N 0 3 305.403 3.561 20 5 DHBDHN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886014616 1025439276 /nfs/dbraw/zinc/43/92/76/1025439276.db2.gz LPEMKDSBRRWEEY-WFASDCNBSA-N 0 3 315.348 3.507 20 5 DHBDHN CCO[C@H]1C[C@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156787 1025617654 /nfs/dbraw/zinc/61/76/54/1025617654.db2.gz DPLFDNMEIDNVHM-IRXDYDNUSA-N 0 3 318.417 3.683 20 5 DHBDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156786 1025619573 /nfs/dbraw/zinc/61/95/73/1025619573.db2.gz DPLFDNMEIDNVHM-IAGOWNOFSA-N 0 3 318.417 3.683 20 5 DHBDHN CCC(CC)CN(CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051824664 1025907270 /nfs/dbraw/zinc/90/72/70/1025907270.db2.gz LRQNACPEWDZTSA-UHFFFAOYSA-N 0 3 322.405 3.719 20 5 DHBDHN C[C@@]1(c2ccc(F)cc2)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000482574742 1026092933 /nfs/dbraw/zinc/09/29/33/1026092933.db2.gz GHLZZICUEXSDCX-GOSISDBHSA-N 0 3 314.360 3.898 20 5 DHBDHN CCCCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000047628010 1026485789 /nfs/dbraw/zinc/48/57/89/1026485789.db2.gz STWJYHRDGNNCRW-UHFFFAOYSA-N 0 3 322.405 3.862 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](C4CCCC4)C3)nc2c1 ZINC000420959937 1026893086 /nfs/dbraw/zinc/89/30/86/1026893086.db2.gz FZQNHKZPBSXMGI-ZDUSSCGKSA-N 0 3 315.373 3.748 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421391211 1026978200 /nfs/dbraw/zinc/97/82/00/1026978200.db2.gz ABIAIUFDYORVJN-OAHLLOKOSA-N 0 3 320.433 3.703 20 5 DHBDHN CC[C@@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421392591 1026978859 /nfs/dbraw/zinc/97/88/59/1026978859.db2.gz XNZUYFXAUDLZHH-LLVKDONJSA-N 0 3 305.403 3.854 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCc1ccccc1 ZINC000156947147 1027201254 /nfs/dbraw/zinc/20/12/54/1027201254.db2.gz LUZZVAXMPUVCCC-OAHLLOKOSA-N 0 3 314.385 3.771 20 5 DHBDHN CC(COC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)[N+](=O)[O-] ZINC000813105965 1027522280 /nfs/dbraw/zinc/52/22/80/1027522280.db2.gz WNELSYMAZCMING-NICGVCSZSA-N 0 3 309.406 3.582 20 5 DHBDHN Cc1ccc(-c2ccsc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108628 1027534719 /nfs/dbraw/zinc/53/47/19/1027534719.db2.gz ISIWUJGDSICDGY-NSHDSACASA-N 0 3 305.355 3.546 20 5 DHBDHN CC(C)=CCSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115033 1027535552 /nfs/dbraw/zinc/53/55/52/1027535552.db2.gz JILOQDBBRMTLGG-LBPRGKRZSA-N 0 3 309.387 3.567 20 5 DHBDHN Cc1ccc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c2)cc1 ZINC000813110525 1027536114 /nfs/dbraw/zinc/53/61/14/1027536114.db2.gz CNACEWIOMGKKGA-LBPRGKRZSA-N 0 3 317.316 3.623 20 5 DHBDHN COc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478862 1027620649 /nfs/dbraw/zinc/62/06/49/1027620649.db2.gz FORAIHWOHJQSOL-PXAZEXFGSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1ccc2c(c1)CC[C@@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000601277403 1028056486 /nfs/dbraw/zinc/05/64/86/1028056486.db2.gz DDVJQGJLWWXGDJ-KRWDZBQOSA-N 0 3 312.369 3.689 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000367918648 1028259535 /nfs/dbraw/zinc/25/95/35/1028259535.db2.gz RRWSLCYEGSZVPE-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571295 1028565245 /nfs/dbraw/zinc/56/52/45/1028565245.db2.gz ZXGGBQZIGFIYQQ-PXAZEXFGSA-N 0 3 311.385 3.824 20 5 DHBDHN Cc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC000815616065 1028571203 /nfs/dbraw/zinc/57/12/03/1028571203.db2.gz FDTDGOFOXDZJCJ-LLVKDONJSA-N 0 3 319.792 3.990 20 5 DHBDHN CC1(C)OCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449412200 1028629756 /nfs/dbraw/zinc/62/97/56/1028629756.db2.gz BRNCNJSEZAZGEI-MRXNPFEDSA-N 0 3 316.357 3.512 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCC1(F)F ZINC000449493607 1028688565 /nfs/dbraw/zinc/68/85/65/1028688565.db2.gz LUDWVSPLRZZTSV-GFCCVEGCSA-N 0 3 314.332 3.519 20 5 DHBDHN Cc1c(CN2CCC([C@@H]3CCCOC3)CC2)cccc1[N+](=O)[O-] ZINC000371626361 1028736622 /nfs/dbraw/zinc/73/66/22/1028736622.db2.gz GJOLKKSIKQRSEL-QGZVFWFLSA-N 0 3 318.417 3.542 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@H](c3cccs3)C2)cs1 ZINC000449620694 1028858333 /nfs/dbraw/zinc/85/83/33/1028858333.db2.gz FSESCMODPPFECS-NEPJUHHUSA-N 0 3 324.427 3.728 20 5 DHBDHN Cc1csc([C@H](C)N[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256785 1030183134 /nfs/dbraw/zinc/18/31/34/1030183134.db2.gz POQRJFFLLOIHRP-ONGXEEELSA-N 0 3 323.393 3.781 20 5 DHBDHN C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900338 1030244930 /nfs/dbraw/zinc/24/49/30/1030244930.db2.gz NXEIUFRLNNCLTF-GZMMTYOYSA-N 0 3 319.188 3.559 20 5 DHBDHN CC1(C)CC2(CC(NCc3cc([N+](=O)[O-])ccc3Cl)C2)CO1 ZINC000925512594 1030380837 /nfs/dbraw/zinc/38/08/37/1030380837.db2.gz DIVQQUPWNUIVAC-UHFFFAOYSA-N 0 3 324.808 3.686 20 5 DHBDHN Cc1noc(C)c1[C@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113347 1030621286 /nfs/dbraw/zinc/62/12/86/1030621286.db2.gz NVSSTEOCKICKJW-VIFPVBQESA-N 0 3 323.780 3.746 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCCCCCCC2)c2c(c1)COCO2 ZINC000824983616 1030693753 /nfs/dbraw/zinc/69/37/53/1030693753.db2.gz ZSGSTZJSZYOKAG-UHFFFAOYSA-N 0 3 320.389 3.618 20 5 DHBDHN Cc1c([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066084 1031062509 /nfs/dbraw/zinc/06/25/09/1031062509.db2.gz KRWVNEDXBQQPOE-CXAGYDPISA-N 0 3 316.405 3.685 20 5 DHBDHN CCOCCC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872049013 1031435343 /nfs/dbraw/zinc/43/53/43/1031435343.db2.gz OBKYKCXBDYQVKL-ZDUSSCGKSA-N 0 3 324.396 3.981 20 5 DHBDHN C[C@H](NCC[C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060601 1031453305 /nfs/dbraw/zinc/45/33/05/1031453305.db2.gz RWOGTIVXIKRODU-AGIUHOORSA-N 0 3 310.369 3.590 20 5 DHBDHN COC1CCC(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872062154 1031456788 /nfs/dbraw/zinc/45/67/88/1031456788.db2.gz JYIQWDUJTAUDKM-HSBZDZAISA-N 0 3 324.396 3.980 20 5 DHBDHN CO[C@@H]1CCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872076635 1031471186 /nfs/dbraw/zinc/47/11/86/1031471186.db2.gz OSHNBXALYYRWCD-ZLKJLUDKSA-N 0 3 310.419 3.535 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCOC1(C)C ZINC000872076126 1031472403 /nfs/dbraw/zinc/47/24/03/1031472403.db2.gz XZNSHYNXLZKEDW-QMTHXVAHSA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@@H](NCC[C@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088321 1031486463 /nfs/dbraw/zinc/48/64/63/1031486463.db2.gz PUWFMZGXIKERFF-BDAKNGLRSA-N 0 3 321.179 3.968 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000872090886 1031488321 /nfs/dbraw/zinc/48/83/21/1031488321.db2.gz FAZRXKILXCTWOB-AYGWYOGXSA-N 0 3 310.419 3.533 20 5 DHBDHN CC(C)c1ccc(CN(C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000361080792 1031716441 /nfs/dbraw/zinc/71/64/41/1031716441.db2.gz MCJNBPSTCIVIFD-HNNXBMFYSA-N 0 3 306.406 3.718 20 5 DHBDHN Cc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872834 1031749250 /nfs/dbraw/zinc/74/92/50/1031749250.db2.gz PMCIPZCJYMDJQP-YGRLFVJLSA-N 0 3 323.345 3.759 20 5 DHBDHN CCc1occc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882396 1031754648 /nfs/dbraw/zinc/75/46/48/1031754648.db2.gz OSEPGCMCMADOBF-BMIGLBTASA-N 0 3 321.304 3.544 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2cnn(CN3CCCCCCC3)c2)c1 ZINC000777949855 1032016230 /nfs/dbraw/zinc/01/62/30/1032016230.db2.gz CYSCMGZVHHBUER-UHFFFAOYSA-N 0 3 314.389 3.682 20 5 DHBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813785 1033313822 /nfs/dbraw/zinc/31/38/22/1033313822.db2.gz GYHBSXKKIMTWED-MEDUHNTESA-N 0 3 320.776 3.632 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H]1CCCC12CC2)c1ccccc1F)[N+](=O)[O-] ZINC000860854594 1033512180 /nfs/dbraw/zinc/51/21/80/1033512180.db2.gz DLHIBGPIEIINDD-OSAQELSMSA-N 0 3 321.348 3.656 20 5 DHBDHN CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)C(C)C ZINC000878000021 1033547988 /nfs/dbraw/zinc/54/79/88/1033547988.db2.gz BVXGCYNXTOYLKC-GFCCVEGCSA-N 0 3 318.377 3.511 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)C[C@@H](C)C2)c1F ZINC001173195645 1033586399 /nfs/dbraw/zinc/58/63/99/1033586399.db2.gz HUTIWTZNPMHBJJ-UPJWGTAASA-N 0 3 324.396 3.651 20 5 DHBDHN Cc1csc([C@@H](C)N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212587 1033614965 /nfs/dbraw/zinc/61/49/65/1033614965.db2.gz BEOQZDUAHJDZAU-ZYHUDNBSSA-N 0 3 305.403 3.642 20 5 DHBDHN CC[C@H](C)CN(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177860970 1034188812 /nfs/dbraw/zinc/18/88/12/1034188812.db2.gz FEOVSKLSEAFZDW-LBPRGKRZSA-N 0 3 318.377 3.513 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCCCO2)CC1 ZINC000880455075 1034335719 /nfs/dbraw/zinc/33/57/19/1034335719.db2.gz NTUAPOHOVONHQM-AWEZNQCLSA-N 0 3 304.390 3.691 20 5 DHBDHN CCN(CC1CCC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000794687429 1034339663 /nfs/dbraw/zinc/33/96/63/1034339663.db2.gz INVKLNKYGOURNE-UHFFFAOYSA-N 0 3 314.389 3.538 20 5 DHBDHN CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCC1 ZINC000555364674 1034654936 /nfs/dbraw/zinc/65/49/36/1034654936.db2.gz NJHVQJAESUXUFN-UHFFFAOYSA-N 0 3 302.296 3.988 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000483109287 1035228185 /nfs/dbraw/zinc/22/81/85/1035228185.db2.gz LOSSHSZYSOJUIR-LBPRGKRZSA-N 0 3 310.369 3.753 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]1CC(C)(C)C ZINC001179094965 1035464961 /nfs/dbraw/zinc/46/49/61/1035464961.db2.gz FASHBLOQPSCVRS-SWLSCSKDSA-N 0 3 306.406 3.908 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CC=CCC1 ZINC000541320537 1036293946 /nfs/dbraw/zinc/29/39/46/1036293946.db2.gz SXWMFZHHXAUCID-LBPRGKRZSA-N 0 3 301.346 3.524 20 5 DHBDHN C[C@@H]1c2ccccc2OCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000609145423 1036507505 /nfs/dbraw/zinc/50/75/05/1036507505.db2.gz BRNZMCFMEQKGGS-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN CC(C)c1ccc(CN2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000488367670 1036986641 /nfs/dbraw/zinc/98/66/41/1036986641.db2.gz PRVRMAGXNDEDMJ-ZDUSSCGKSA-N 0 3 308.447 3.903 20 5 DHBDHN CCCCCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000774834075 1037036408 /nfs/dbraw/zinc/03/64/08/1037036408.db2.gz UDDWZJVOXMFDKA-UHFFFAOYSA-N 0 3 309.366 3.904 20 5 DHBDHN CCC(CC)CN(CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774839224 1037060554 /nfs/dbraw/zinc/06/05/54/1037060554.db2.gz HPHYNZHKEWVJGH-UHFFFAOYSA-N 0 3 309.366 3.761 20 5 DHBDHN CCOC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000387106506 1037113934 /nfs/dbraw/zinc/11/39/34/1037113934.db2.gz YERMSCPPLURCRA-UHFFFAOYSA-N 0 3 312.797 3.687 20 5 DHBDHN C[C@@H]1CCC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774906712 1037196081 /nfs/dbraw/zinc/19/60/81/1037196081.db2.gz YEAXUJGGECHDKG-NEPJUHHUSA-N 0 3 307.350 3.514 20 5 DHBDHN Cc1cc(F)ccc1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000488031967 1037297640 /nfs/dbraw/zinc/29/76/40/1037297640.db2.gz FMERXRMQRNXEPL-UHFFFAOYSA-N 0 3 318.348 3.553 20 5 DHBDHN CN(CCc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515242 1037341262 /nfs/dbraw/zinc/34/12/62/1037341262.db2.gz SCIZXNXNPKMRIJ-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC(C)(C)CO1 ZINC001190529405 1038336399 /nfs/dbraw/zinc/33/63/99/1038336399.db2.gz SIMBGNOFZYJTCM-MRXNPFEDSA-N 0 3 306.406 3.620 20 5 DHBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C2CCCCCC2)c1 ZINC000589495092 1038486161 /nfs/dbraw/zinc/48/61/61/1038486161.db2.gz YLRATCSETVUFOE-UHFFFAOYSA-N 0 3 320.389 3.536 20 5 DHBDHN CCC(CC)N(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CC1 ZINC000589494948 1038486613 /nfs/dbraw/zinc/48/66/13/1038486613.db2.gz BFOHTZIELFTTHT-UHFFFAOYSA-N 0 3 320.389 3.534 20 5 DHBDHN COCCC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000599059161 1039016518 /nfs/dbraw/zinc/01/65/18/1039016518.db2.gz NTGKISUBVZOJRC-AWEZNQCLSA-N 0 3 306.406 3.713 20 5 DHBDHN Cc1ccccc1OCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000603836974 1039178591 /nfs/dbraw/zinc/17/85/91/1039178591.db2.gz NGJMWXUHKRMYQI-UHFFFAOYSA-N 0 3 314.385 3.722 20 5 DHBDHN Cc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000059394345 1039961091 /nfs/dbraw/zinc/96/10/91/1039961091.db2.gz IFDBYFXPUYRKAB-QGZVFWFLSA-N 0 3 317.364 3.757 20 5 DHBDHN C[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(F)F ZINC000594986006 1040002325 /nfs/dbraw/zinc/00/23/25/1040002325.db2.gz RMZCCBXARWMXPQ-OAHLLOKOSA-N 0 3 322.311 3.990 20 5 DHBDHN CC[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041519 1040011532 /nfs/dbraw/zinc/01/15/32/1040011532.db2.gz DYQZKULXDAXBBR-DZGCQCFKSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000595106679 1040066182 /nfs/dbraw/zinc/06/61/82/1040066182.db2.gz TUWKXOKOFYEEFE-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CCSC1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595092587 1040077971 /nfs/dbraw/zinc/07/79/71/1040077971.db2.gz LNKMYTBIEWQFCQ-LLVKDONJSA-N 0 3 310.419 3.540 20 5 DHBDHN CC(C)(NCCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000595508509 1040158101 /nfs/dbraw/zinc/15/81/01/1040158101.db2.gz AYVJEOWZPTUTIA-UHFFFAOYSA-N 0 3 314.385 3.636 20 5 DHBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000323925794 1040649967 /nfs/dbraw/zinc/64/99/67/1040649967.db2.gz WLXISKWMUONEJH-NSHDSACASA-N 0 3 313.195 3.636 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C[C@H](C)c1ccccc1 ZINC000608976692 1040657085 /nfs/dbraw/zinc/65/70/85/1040657085.db2.gz IKHZGWPKXVKARN-AWEZNQCLSA-N 0 3 314.385 3.839 20 5 DHBDHN C[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691832 1041154098 /nfs/dbraw/zinc/15/40/98/1041154098.db2.gz UCTMPLDWPFLNRE-KCJUWKMLSA-N 0 3 320.336 3.597 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000602852126 1041259574 /nfs/dbraw/zinc/25/95/74/1041259574.db2.gz CPMDOLVEWLGXOS-GDBMZVCRSA-N 0 3 311.385 3.930 20 5 DHBDHN CCCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000299363894 132101263 /nfs/dbraw/zinc/10/12/63/132101263.db2.gz FBFKZSNDMYNDQA-UHFFFAOYSA-N 0 3 318.377 3.513 20 5 DHBDHN COc1ccc(-c2ccc(CNCCC(C)C)o2)c([N+](=O)[O-])c1 ZINC000410069335 332085879 /nfs/dbraw/zinc/08/58/79/332085879.db2.gz PUCMYZKIHJBABT-UHFFFAOYSA-N 0 3 318.373 3.999 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000151002728 332476144 /nfs/dbraw/zinc/47/61/44/332476144.db2.gz MPLCGIXAAKQCOE-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN CC(C)(NC[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000562925374 332644148 /nfs/dbraw/zinc/64/41/48/332644148.db2.gz DLHQVABFWUGAQZ-CQSZACIVSA-N 0 3 318.417 3.911 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353900 333019830 /nfs/dbraw/zinc/01/98/30/333019830.db2.gz JKIRIOIMSGKBJL-IRXDYDNUSA-N 0 3 318.417 3.731 20 5 DHBDHN CCO[C@H]1C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330212 333034417 /nfs/dbraw/zinc/03/44/17/333034417.db2.gz ZDQYTAUIYMTQTC-HIFRSBDPSA-N 0 3 318.398 3.590 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182850845 333048261 /nfs/dbraw/zinc/04/82/61/333048261.db2.gz FZQDLUUTFKHVGV-HDMKZQKVSA-N 0 3 318.417 3.591 20 5 DHBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000531213770 333335284 /nfs/dbraw/zinc/33/52/84/333335284.db2.gz PUQLCGYUUGNVOZ-LXIYXOSZSA-N 0 3 312.369 3.638 20 5 DHBDHN CCOCC(C)(C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000323494505 333357289 /nfs/dbraw/zinc/35/72/89/333357289.db2.gz TVBXZCNHVVBBEF-UHFFFAOYSA-N 0 3 317.389 3.926 20 5 DHBDHN C[C@H](NC[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666627 333384840 /nfs/dbraw/zinc/38/48/40/333384840.db2.gz DBGXIYRLRMWVCI-SUMWQHHRSA-N 0 3 306.406 3.577 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980193 333413062 /nfs/dbraw/zinc/41/30/62/333413062.db2.gz CMOWKODWRZHUTA-KBRIMQKVSA-N 0 3 318.417 3.983 20 5 DHBDHN C[C@@H](NCCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000320176940 333440929 /nfs/dbraw/zinc/44/09/29/333440929.db2.gz NRHJYFBPDJBNBO-OAHLLOKOSA-N 0 3 313.401 3.772 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414292941 333934724 /nfs/dbraw/zinc/93/47/24/333934724.db2.gz BFXNLLDEUMPLGH-OLZOCXBDSA-N 0 3 322.405 3.602 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCc2cc(N)ccc21 ZINC000414937490 334199818 /nfs/dbraw/zinc/19/98/18/334199818.db2.gz VSSJYECABIXAHH-SFHVURJKSA-N 0 3 311.385 3.653 20 5 DHBDHN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938548 334299427 /nfs/dbraw/zinc/29/94/27/334299427.db2.gz OBFWXWWUIXZRGA-KEYYUXOJSA-N 0 3 306.406 3.841 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[C@@H](F)C3)cs2)c1 ZINC000342310279 334527440 /nfs/dbraw/zinc/52/74/40/334527440.db2.gz UHHVRUNROAOWLJ-VXGBXAGGSA-N 0 3 321.377 3.699 20 5 DHBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344382709 335248545 /nfs/dbraw/zinc/24/85/45/335248545.db2.gz AZXZYAIJZVYTHN-SJCJKPOMSA-N 0 3 316.357 3.512 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1sc(C)nc1C ZINC000344882707 335282534 /nfs/dbraw/zinc/28/25/34/335282534.db2.gz XRYUOIIKYVXTGF-XFFZJAGNSA-N 0 3 317.414 3.861 20 5 DHBDHN Cc1ccc(C)n1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332455327 336172067 /nfs/dbraw/zinc/17/20/67/336172067.db2.gz NJMFRPABFDVARA-UHFFFAOYSA-N 0 3 313.401 3.850 20 5 DHBDHN Cc1ccc(C)n1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000332444191 336172082 /nfs/dbraw/zinc/17/20/82/336172082.db2.gz JFOCDNZPYPWWMQ-UHFFFAOYSA-N 0 3 313.401 3.850 20 5 DHBDHN CCN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000352652412 336228839 /nfs/dbraw/zinc/22/88/39/336228839.db2.gz NPZCYSZSCZHWMN-HNNXBMFYSA-N 0 3 306.406 3.719 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522601 336252602 /nfs/dbraw/zinc/25/26/02/336252602.db2.gz KTTWYGOMISWTJH-XOKHGSTOSA-N 0 3 318.417 3.902 20 5 DHBDHN O=[N+]([O-])c1ccsc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000301982330 336341233 /nfs/dbraw/zinc/34/12/33/336341233.db2.gz HPSISMVGUAILMP-HNNXBMFYSA-N 0 3 317.414 3.905 20 5 DHBDHN Cc1ccc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824079 336370736 /nfs/dbraw/zinc/37/07/36/336370736.db2.gz LMHXOIKUNXEMFB-AEFFLSMTSA-N 0 3 311.385 3.761 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861178 336374852 /nfs/dbraw/zinc/37/48/52/336374852.db2.gz GJMAKMAEZFLMKU-SJORKVTESA-N 0 3 318.417 3.812 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H]2CCOC2)CC1 ZINC000376342292 337031745 /nfs/dbraw/zinc/03/17/45/337031745.db2.gz WYHBZVCZAFDJEV-ZBFHGGJFSA-N 0 3 318.417 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc(OC2CCN([C@@H]3C=CCCC3)CC2)cc1 ZINC000174242658 337139989 /nfs/dbraw/zinc/13/99/89/337139989.db2.gz JPFIWYACGNUMAA-CQSZACIVSA-N 0 3 302.374 3.547 20 5 DHBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353506 337141046 /nfs/dbraw/zinc/14/10/46/337141046.db2.gz RWMRJIVZRWSEPX-ZIAGYGMSSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1c(CN[C@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602455 337249591 /nfs/dbraw/zinc/24/95/91/337249591.db2.gz XDBXXHGKPMTHLL-CZUORRHYSA-N 0 3 312.369 3.558 20 5 DHBDHN C[C@](O)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313842 338009574 /nfs/dbraw/zinc/00/95/74/338009574.db2.gz XQVLQALWYRJSMG-AEFFLSMTSA-N 0 3 318.417 3.503 20 5 DHBDHN Cc1ccoc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000426290697 338024862 /nfs/dbraw/zinc/02/48/62/338024862.db2.gz KFACOTLAMWAENU-OAHLLOKOSA-N 0 3 300.358 3.607 20 5 DHBDHN C[C@@H]1CC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583816 338085296 /nfs/dbraw/zinc/08/52/96/338085296.db2.gz BWBKOAWUTVGRNN-WBMJQRKESA-N 0 3 315.373 3.870 20 5 DHBDHN COCC(C)(C)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430112214 338097584 /nfs/dbraw/zinc/09/75/84/338097584.db2.gz BZTAANFSYCTCJK-UHFFFAOYSA-N 0 3 318.373 3.712 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2ccccc2)C1 ZINC000430226574 338102205 /nfs/dbraw/zinc/10/22/05/338102205.db2.gz OXUIXRRVRNAKDL-OAHLLOKOSA-N 0 3 312.369 3.593 20 5 DHBDHN Cc1cnc(SCCN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000432923278 338173321 /nfs/dbraw/zinc/17/33/21/338173321.db2.gz RRSWXPGKMZLWKI-UHFFFAOYSA-N 0 3 317.414 3.522 20 5 DHBDHN CC1(C)C[C@H](NCCc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000433174910 338183984 /nfs/dbraw/zinc/18/39/84/338183984.db2.gz OGDBCMUUVQSROW-INIZCTEOSA-N 0 3 300.358 3.743 20 5 DHBDHN CSc1ccc(CCNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000435735588 338246986 /nfs/dbraw/zinc/24/69/86/338246986.db2.gz OKNOUAAGJPLLNW-UHFFFAOYSA-N 0 3 320.389 3.788 20 5 DHBDHN C[C@@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403099 338270944 /nfs/dbraw/zinc/27/09/44/338270944.db2.gz FZIZHVZGRBONQR-DGCLKSJQSA-N 0 3 317.414 3.997 20 5 DHBDHN C[C@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403098 338270971 /nfs/dbraw/zinc/27/09/71/338270971.db2.gz FZIZHVZGRBONQR-AAEUAGOBSA-N 0 3 317.414 3.997 20 5 DHBDHN Cc1c(CN2CCS[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000437531576 338312787 /nfs/dbraw/zinc/31/27/87/338312787.db2.gz AORXFTOLMLNDDK-HZPDHXFCSA-N 0 3 306.431 3.763 20 5 DHBDHN COc1ccc(CN[C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438467652 338344817 /nfs/dbraw/zinc/34/48/17/338344817.db2.gz BQQPIHAINMEWCL-LLVKDONJSA-N 0 3 320.311 3.670 20 5 DHBDHN CCC[C@H](N[C@H]1CCCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000442806289 338432743 /nfs/dbraw/zinc/43/27/43/338432743.db2.gz BPLUKZINUUTXMR-ULQDDVLXSA-N 0 3 306.406 3.983 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831592 338433689 /nfs/dbraw/zinc/43/36/89/338433689.db2.gz AZPMCKGOUBQUAG-GJZGRUSLSA-N 0 3 324.808 3.686 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3c(F)cccc32)cc1 ZINC000449351025 338616599 /nfs/dbraw/zinc/61/65/99/338616599.db2.gz NPQAQNQHSFQGGY-QGZVFWFLSA-N 0 3 300.333 3.901 20 5 DHBDHN CC[C@H](N[C@H]1C[C@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131943 338797763 /nfs/dbraw/zinc/79/77/63/338797763.db2.gz MDNXNOPNLMMLBX-JYJNAYRXSA-N 0 3 304.390 3.593 20 5 DHBDHN CC1(C)C[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000453580727 338849065 /nfs/dbraw/zinc/84/90/65/338849065.db2.gz LBIOAPTWSJBQEE-LLVKDONJSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@@H]1CCCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618787 339038775 /nfs/dbraw/zinc/03/87/75/339038775.db2.gz SZLPAJGPWQTQKP-BDJLRTHQSA-N 0 3 302.378 3.530 20 5 DHBDHN CC[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459749777 339046024 /nfs/dbraw/zinc/04/60/24/339046024.db2.gz YTAHMPUHDVBBJX-CVEARBPZSA-N 0 3 316.357 3.512 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813085 339049473 /nfs/dbraw/zinc/04/94/73/339049473.db2.gz WFVPJASTTIPGTG-RPVQJOFSSA-N 0 3 318.417 3.529 20 5 DHBDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408265 339116788 /nfs/dbraw/zinc/11/67/88/339116788.db2.gz YLYCZPOUOGMXEL-APHBMKBZSA-N 0 3 306.406 3.838 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000467858548 339247920 /nfs/dbraw/zinc/24/79/20/339247920.db2.gz JYXSLMGXFRKUSK-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](OCC(C)C)C1 ZINC000470184662 339313434 /nfs/dbraw/zinc/31/34/34/339313434.db2.gz SUFOFGUUVUGPAH-DWCFMXGVSA-N 0 3 318.417 3.745 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)OCc1ccccc12 ZINC000473162740 339383321 /nfs/dbraw/zinc/38/33/21/339383321.db2.gz QAALWRSBNJFNHL-IFXJQAMLSA-N 0 3 324.380 3.787 20 5 DHBDHN CCc1cccc(F)c1CNCCc1cccc([N+](=O)[O-])c1 ZINC000474894800 339430257 /nfs/dbraw/zinc/43/02/57/339430257.db2.gz SYXNPJMNUSWQRV-UHFFFAOYSA-N 0 3 302.349 3.629 20 5 DHBDHN CC(C)[C@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000475226872 339442401 /nfs/dbraw/zinc/44/24/01/339442401.db2.gz ADEWBGBJBFHDIN-QWHCGFSZSA-N 0 3 316.405 3.776 20 5 DHBDHN CC(C)(C)CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000475682263 339459505 /nfs/dbraw/zinc/45/95/05/339459505.db2.gz PJOYQSDBQGWNCO-GFCCVEGCSA-N 0 3 314.813 3.525 20 5 DHBDHN O=[N+]([O-])c1cccc(F)c1CN[C@H](Cc1ccccc1)C1CC1 ZINC000495440638 339984722 /nfs/dbraw/zinc/98/47/22/339984722.db2.gz VIMCEQYWUQGJBT-QGZVFWFLSA-N 0 3 314.360 3.845 20 5 DHBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000505608361 340172794 /nfs/dbraw/zinc/17/27/94/340172794.db2.gz LAKQYZSDNGLSIT-NWDGAFQWSA-N 0 3 311.813 3.781 20 5 DHBDHN COc1ccc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000505770868 340177370 /nfs/dbraw/zinc/17/73/70/340177370.db2.gz ISKWAFGUHGCLHB-ALCCZGGFSA-N 0 3 312.369 3.749 20 5 DHBDHN O=[N+]([O-])c1ccccc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000302862708 340284606 /nfs/dbraw/zinc/28/46/06/340284606.db2.gz SGWIYRSFEUFQPU-MRXNPFEDSA-N 0 3 311.385 3.671 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccncc1F ZINC000510994215 340317419 /nfs/dbraw/zinc/31/74/19/340317419.db2.gz ALVMUYCVCIOKFF-OLZOCXBDSA-N 0 3 317.364 3.801 20 5 DHBDHN C[C@@H]1CSC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863802 340381327 /nfs/dbraw/zinc/38/13/27/340381327.db2.gz GTHNELYQBJYMJQ-IAQYHMDHSA-N 0 3 318.398 3.696 20 5 DHBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000540429076 340930913 /nfs/dbraw/zinc/93/09/13/340930913.db2.gz WALJYUVQRNHVIE-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN COc1cc(CNC(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000542573665 341014224 /nfs/dbraw/zinc/01/42/24/341014224.db2.gz HCFOHGQLVIWLBV-UHFFFAOYSA-N 0 3 306.387 3.690 20 5 DHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCSC1 ZINC000130530803 341026722 /nfs/dbraw/zinc/02/67/22/341026722.db2.gz PMIFKISZZHYTCW-CQSZACIVSA-N 0 3 318.398 3.792 20 5 DHBDHN CN(CCCOCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000545985878 341149773 /nfs/dbraw/zinc/14/97/73/341149773.db2.gz WVSDRUWITQGCST-UHFFFAOYSA-N 0 3 314.385 3.634 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](CO)CC1CCCC1 ZINC000546687655 341178836 /nfs/dbraw/zinc/17/88/36/341178836.db2.gz NHYZYZSYKZMUDU-ZBFHGGJFSA-N 0 3 320.433 3.743 20 5 DHBDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248564632 341380042 /nfs/dbraw/zinc/38/00/42/341380042.db2.gz OKWGBXASYPIDSM-COXVUDFISA-N 0 3 306.406 3.839 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCO[C@@H](C(C)C)C1 ZINC000552443816 341394089 /nfs/dbraw/zinc/39/40/89/341394089.db2.gz AWMQZGFNFKSRTE-QWSHFYNQSA-N 0 3 318.417 3.745 20 5 DHBDHN CCOC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000556234258 341498488 /nfs/dbraw/zinc/49/84/88/341498488.db2.gz VOGQYZRHQQMGAA-AWEZNQCLSA-N 0 3 306.406 3.903 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000566807086 341568719 /nfs/dbraw/zinc/56/87/19/341568719.db2.gz CFPLVIOEEYSUDS-RNIPGJKVSA-N 0 3 306.365 3.510 20 5 DHBDHN COC[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000575116195 341778774 /nfs/dbraw/zinc/77/87/74/341778774.db2.gz XSAATRKIFJSNRV-JKSUJKDBSA-N 0 3 306.406 3.578 20 5 DHBDHN C[C@H](NCCOc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173398949 341816040 /nfs/dbraw/zinc/81/60/40/341816040.db2.gz NDDJLRSJVFXYHJ-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN Cc1c([C@@H](C)N[C@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178110398 341945799 /nfs/dbraw/zinc/94/57/99/341945799.db2.gz AQPYZQFYUHJVEX-UKRRQHHQSA-N 0 3 312.369 3.558 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000178656153 341961108 /nfs/dbraw/zinc/96/11/08/341961108.db2.gz GXPVBDPEAOHRJY-KBPBESRZSA-N 0 3 300.358 3.713 20 5 DHBDHN CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265853742 521692984 /nfs/dbraw/zinc/69/29/84/521692984.db2.gz ITWIHJJQQVSGNB-CFVMTHIKSA-N 0 3 324.446 3.682 20 5 DHBDHN CC[C@@H](N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016385 522919632 /nfs/dbraw/zinc/91/96/32/522919632.db2.gz KVQKGRGTQBWLLX-NVXWUHKLSA-N 0 3 306.406 3.577 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847913 523541517 /nfs/dbraw/zinc/54/15/17/523541517.db2.gz IEOPLARJPNGEDF-DYVFJYSZSA-N 0 3 300.358 3.633 20 5 DHBDHN CO[C@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847911 523953534 /nfs/dbraw/zinc/95/35/34/523953534.db2.gz IEOPLARJPNGEDF-CXAGYDPISA-N 0 3 300.358 3.633 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCO2)CC1 ZINC000189152130 526079363 /nfs/dbraw/zinc/07/93/63/526079363.db2.gz RVQVIWIBXISFGC-SUMWQHHRSA-N 0 3 304.390 3.547 20 5 DHBDHN Cc1nc2c(s1)CCC[C@H]2CNCc1ccccc1[N+](=O)[O-] ZINC000366402800 527104600 /nfs/dbraw/zinc/10/46/00/527104600.db2.gz KHYPQYSXBGNWLA-ZDUSSCGKSA-N 0 3 317.414 3.569 20 5 DHBDHN CCCCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000610447520 1014233970 /nfs/dbraw/zinc/23/39/70/1014233970.db2.gz GKICPCWYUJWPDB-AWEZNQCLSA-N 0 3 320.393 3.556 20 5 DHBDHN COc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000126115078 1014481448 /nfs/dbraw/zinc/48/14/48/1014481448.db2.gz SBYCQFXGDICODS-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@@H](c1cccs1)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000520845275 1014598158 /nfs/dbraw/zinc/59/81/58/1014598158.db2.gz YISZBGWNSOYSDH-LBPRGKRZSA-N 0 3 306.387 3.728 20 5 DHBDHN CCN(CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000521194297 1014660276 /nfs/dbraw/zinc/66/02/76/1014660276.db2.gz GONSHTOCXDJXIS-UHFFFAOYSA-N 0 3 320.414 3.730 20 5 DHBDHN CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443069030 1014800383 /nfs/dbraw/zinc/80/03/83/1014800383.db2.gz ODUUIMRBRLJJDU-ZFWWWQNUSA-N 0 3 306.406 3.718 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCCC3)cs2)c1 ZINC000522196392 1014960127 /nfs/dbraw/zinc/96/01/27/1014960127.db2.gz OGQHSKYNHDCKEG-UHFFFAOYSA-N 0 3 317.414 3.998 20 5 DHBDHN CC[C@@H]1[C@@H](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644513 1015606817 /nfs/dbraw/zinc/60/68/17/1015606817.db2.gz VJKYQOQMLLSHCO-BLLLJJGKSA-N 0 3 315.373 3.870 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(CCCC1CCOCC1)C1CC1 ZINC000346870498 1016618592 /nfs/dbraw/zinc/61/85/92/1016618592.db2.gz MIAAFTAPNJKGRO-UHFFFAOYSA-N 0 3 318.417 3.766 20 5 DHBDHN CCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@@H](C)C1 ZINC000339646869 1012721340 /nfs/dbraw/zinc/72/13/40/1012721340.db2.gz LCOIFOWSGSQSEA-KGLIPLIRSA-N 0 3 308.426 3.509 20 5 DHBDHN C[C@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001167622867 1017673602 /nfs/dbraw/zinc/67/36/02/1017673602.db2.gz ZVVKVNRYUCNTAF-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000152258350 1018303146 /nfs/dbraw/zinc/30/31/46/1018303146.db2.gz VTFDBYRLRAYTSH-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000340511847 1018895522 /nfs/dbraw/zinc/89/55/22/1018895522.db2.gz IZYTUWPJGHNCNM-JTQLQIEISA-N 0 3 323.755 3.676 20 5 DHBDHN Cc1c(CN2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000054328558 1032832874 /nfs/dbraw/zinc/83/28/74/1032832874.db2.gz ICPXIJRJUGYRSH-UHFFFAOYSA-N 0 3 306.406 3.540 20 5 DHBDHN C[C@H](c1ccco1)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069065266 1019948978 /nfs/dbraw/zinc/94/89/78/1019948978.db2.gz JQLODCHDDGFDDC-CYBMUJFWSA-N 0 3 304.346 3.650 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCc1cccc(F)c1 ZINC000084439787 1020001081 /nfs/dbraw/zinc/00/10/81/1020001081.db2.gz MYUQKQIJQKQJBK-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN COc1cccc2c1CC[C@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000477724992 1032887179 /nfs/dbraw/zinc/88/71/79/1032887179.db2.gz NEBNAVYUUZCSFH-MRXNPFEDSA-N 0 3 312.369 3.689 20 5 DHBDHN CCS[C@H]1CCCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000303446684 1020489389 /nfs/dbraw/zinc/48/93/89/1020489389.db2.gz JCRBKKMGVUEUJA-AWEZNQCLSA-N 0 3 324.446 3.711 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411889690 1020627267 /nfs/dbraw/zinc/62/72/67/1020627267.db2.gz GKLYZEKOTBWTJK-PJSAGSTRSA-N 0 3 312.369 3.558 20 5 DHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066410817 1020852339 /nfs/dbraw/zinc/85/23/39/1020852339.db2.gz KLEQEUYWELICAB-LBPRGKRZSA-N 0 3 309.366 3.510 20 5 DHBDHN CC(C)(C)c1ccc(-n2nc(CN)c3ccccc32)c([N+](=O)[O-])c1 ZINC001167698404 1021120974 /nfs/dbraw/zinc/12/09/74/1021120974.db2.gz VKYCGAOPRAPCRP-UHFFFAOYSA-N 0 3 324.384 3.690 20 5 DHBDHN CCO[C@@H]1C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198583 1021326524 /nfs/dbraw/zinc/32/65/24/1021326524.db2.gz FHKZQCQKJVJUIC-HUUCEWRRSA-N 0 3 318.398 3.590 20 5 DHBDHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000618679581 1021484715 /nfs/dbraw/zinc/48/47/15/1021484715.db2.gz VOFOSCJTMOMLFG-DOMZBBRYSA-N 0 3 303.387 3.514 20 5 DHBDHN CC(C)c1ccc(CN[C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850368524 1021490359 /nfs/dbraw/zinc/49/03/59/1021490359.db2.gz YZEYISSTDABJRY-AWEZNQCLSA-N 0 3 304.390 3.519 20 5 DHBDHN CC1(C)[C@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1(F)F ZINC000850394639 1021507461 /nfs/dbraw/zinc/50/74/61/1021507461.db2.gz XQXFQRDYCAELOT-NSHDSACASA-N 0 3 304.724 3.629 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCC3CC3)cs2)c1 ZINC000130627472 1021685587 /nfs/dbraw/zinc/68/55/87/1021685587.db2.gz PXZRBMINLYLMDB-UHFFFAOYSA-N 0 3 317.414 3.998 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000851108285 1021739325 /nfs/dbraw/zinc/73/93/25/1021739325.db2.gz LJYUGTFHQUCJPC-AIXOIULYSA-N 0 3 321.348 3.511 20 5 DHBDHN CSCC[C@@H](C)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122664551 1021926698 /nfs/dbraw/zinc/92/66/98/1021926698.db2.gz GARCYVSVLRVCKD-SNVBAGLBSA-N 0 3 302.827 3.822 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCC(c2ccc(O)cc2)CC1 ZINC000198768859 1022211809 /nfs/dbraw/zinc/21/18/09/1022211809.db2.gz MLKZRBBSAGISPK-UHFFFAOYSA-N 0 3 312.369 3.680 20 5 DHBDHN C[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986641 1022217888 /nfs/dbraw/zinc/21/78/88/1022217888.db2.gz XZVSFMLIANPQKY-DCAQKATOSA-N 0 3 300.761 3.575 20 5 DHBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NC2c3ccccc3Oc3ccccc32)C1 ZINC001168989309 1022219296 /nfs/dbraw/zinc/21/92/96/1022219296.db2.gz VVKOQKOYYWTPSS-UONOGXRCSA-N 0 3 324.380 3.917 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001169046329 1022228402 /nfs/dbraw/zinc/22/84/02/1022228402.db2.gz KNNAMVYTQGFPSI-XUJVJEKNSA-N 0 3 310.344 3.547 20 5 DHBDHN CCC[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598781 1022311984 /nfs/dbraw/zinc/31/19/84/1022311984.db2.gz DVTKVSNQMWQTPL-NSHDSACASA-N 0 3 305.403 3.997 20 5 DHBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000609598792 1022312127 /nfs/dbraw/zinc/31/21/27/1022312127.db2.gz PHISIYFQOROLQG-NSHDSACASA-N 0 3 317.414 3.854 20 5 DHBDHN CCC[C@@]1(COC)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169780239 1022541407 /nfs/dbraw/zinc/54/14/07/1022541407.db2.gz JYBBOONRGXHKBR-INIZCTEOSA-N 0 3 310.369 3.515 20 5 DHBDHN C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341676 1022810902 /nfs/dbraw/zinc/81/09/02/1022810902.db2.gz KCPMIQYLIJIGDE-BDJLRTHQSA-N 0 3 320.776 3.632 20 5 DHBDHN CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184366341 1022848177 /nfs/dbraw/zinc/84/81/77/1022848177.db2.gz WQCUFKRPVCOMSU-CQSZACIVSA-N 0 3 305.403 3.643 20 5 DHBDHN CN(C)C(=O)CN(C)Cc1c2ccccc2cc2ccccc21 ZINC000162494109 1022871179 /nfs/dbraw/zinc/87/11/79/1022871179.db2.gz JVGYJXSBRZAVKH-UHFFFAOYSA-N 0 3 306.409 3.513 20 5 DHBDHN COc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000173358544 1022945414 /nfs/dbraw/zinc/94/54/14/1022945414.db2.gz BLTUKWAGXYBIEM-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CCOc3ccccc31)C2 ZINC000769425126 1023147425 /nfs/dbraw/zinc/14/74/25/1023147425.db2.gz DMDJJHUFWQQSKA-HNNXBMFYSA-N 0 3 324.380 3.519 20 5 DHBDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481844 1023891845 /nfs/dbraw/zinc/89/18/45/1023891845.db2.gz JNMRUESFQDZGHO-OLZOCXBDSA-N 0 3 312.410 3.840 20 5 DHBDHN C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748748 1023934702 /nfs/dbraw/zinc/93/47/02/1023934702.db2.gz AFUBVUXQOFFCGE-YGRLFVJLSA-N 0 3 317.414 3.967 20 5 DHBDHN COc1ccc(CN(C)[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000051428232 1024047897 /nfs/dbraw/zinc/04/78/97/1024047897.db2.gz IZGQGWFVGWSXIQ-CYBMUJFWSA-N 0 3 300.358 3.796 20 5 DHBDHN CC[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728895903 1024780134 /nfs/dbraw/zinc/78/01/34/1024780134.db2.gz DEBDONZSPJQAFX-CQSZACIVSA-N 0 3 314.389 3.538 20 5 DHBDHN CCC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000279733718 1025204117 /nfs/dbraw/zinc/20/41/17/1025204117.db2.gz WIWXFCVBVKTCGQ-GDBMZVCRSA-N 0 3 320.414 3.648 20 5 DHBDHN CSc1ccc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897463738 1025365805 /nfs/dbraw/zinc/36/58/05/1025365805.db2.gz HWNVENXPXQRAQY-LLVKDONJSA-N 0 3 306.387 3.803 20 5 DHBDHN Cc1cc(N2C[C@H](N3CCCC3)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000804811804 1025484106 /nfs/dbraw/zinc/48/41/06/1025484106.db2.gz ABGRKOQAOAVVEG-CHWSQXEVSA-N 0 3 323.824 3.620 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)CC2CCCC2)C2CC2)cc1 ZINC000354727006 1025492824 /nfs/dbraw/zinc/49/28/24/1025492824.db2.gz GLLNYLCPJPLVOL-SFHVURJKSA-N 0 3 318.417 3.500 20 5 DHBDHN Cc1ccc([C@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)c(C)c1 ZINC000886181722 1025551564 /nfs/dbraw/zinc/55/15/64/1025551564.db2.gz RYPGEPFXSCRLAU-HNNXBMFYSA-N 0 3 311.385 3.596 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OC2CCC2)CC1 ZINC000419301663 1026115752 /nfs/dbraw/zinc/11/57/52/1026115752.db2.gz LQBNFAVTSRXKSG-AWEZNQCLSA-N 0 3 318.417 3.998 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000513472607 1026519321 /nfs/dbraw/zinc/51/93/21/1026519321.db2.gz IBNFULHKRKNJBK-HNNXBMFYSA-N 0 3 300.333 3.723 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](c3ccccc3F)C2)cs1 ZINC000280535583 1026665684 /nfs/dbraw/zinc/66/56/84/1026665684.db2.gz CITXBOKTZZQMEL-HAQNSBGRSA-N 0 3 306.362 3.831 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000421832690 1027062630 /nfs/dbraw/zinc/06/26/30/1027062630.db2.gz HNXSNWHSFZDMOY-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN CO[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976622 1027507124 /nfs/dbraw/zinc/50/71/24/1027507124.db2.gz KTZUACCISLNTRM-BBRMVZONSA-N 0 3 306.406 3.711 20 5 DHBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)cc1Cl ZINC000813102042 1027519662 /nfs/dbraw/zinc/51/96/62/1027519662.db2.gz AFURPVBNABTYKH-LURJTMIESA-N 0 3 324.185 3.537 20 5 DHBDHN Cc1noc(CN2C[C@@H](c3ccccc3)CC2(C)C)c1[N+](=O)[O-] ZINC000932899406 1027645276 /nfs/dbraw/zinc/64/52/76/1027645276.db2.gz UHYQDWBUXRMXTI-AWEZNQCLSA-N 0 3 315.373 3.659 20 5 DHBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN(C2CCC2)C1 ZINC000813630199 1027680117 /nfs/dbraw/zinc/68/01/17/1027680117.db2.gz JDGSDYRJDXVYAN-LBPRGKRZSA-N 0 3 323.824 3.559 20 5 DHBDHN COCC(C)(C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000814172731 1027908970 /nfs/dbraw/zinc/90/89/70/1027908970.db2.gz AUHZBGXUVYHMNX-UHFFFAOYSA-N 0 3 321.204 3.664 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC2([C@H]3CCCCO3)CCC2)c(F)c1 ZINC000601156407 1028007686 /nfs/dbraw/zinc/00/76/86/1028007686.db2.gz WHGMMGJUQKFGHB-MRXNPFEDSA-N 0 3 322.380 3.563 20 5 DHBDHN Cc1ccncc1CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000567312560 1028874091 /nfs/dbraw/zinc/87/40/91/1028874091.db2.gz ZHYIJIAPUSGBTD-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN Cc1ccc(CN2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449733554 1028950851 /nfs/dbraw/zinc/95/08/51/1028950851.db2.gz PAZCCYOXVCWOOU-MRXNPFEDSA-N 0 3 306.431 3.622 20 5 DHBDHN C[C@@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCOC1 ZINC000357347614 1030009686 /nfs/dbraw/zinc/00/96/86/1030009686.db2.gz VONYKOIUQSWQJC-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN CN(CC[C@H]1CC1(Cl)Cl)Cc1ccccc1[N+](=O)[O-] ZINC000822570944 1030063854 /nfs/dbraw/zinc/06/38/54/1030063854.db2.gz SPZWHJBXPSKGJZ-NSHDSACASA-N 0 3 303.189 3.611 20 5 DHBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccc(Cl)cn1 ZINC000866313783 1030221888 /nfs/dbraw/zinc/22/18/88/1030221888.db2.gz HPDATHGKIMRPAA-SNVBAGLBSA-N 0 3 323.755 3.503 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695950 1030249551 /nfs/dbraw/zinc/24/95/51/1030249551.db2.gz WZLDYXAPDXJPCO-AAEUAGOBSA-N 0 3 321.352 3.868 20 5 DHBDHN COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000866365377 1030260219 /nfs/dbraw/zinc/26/02/19/1030260219.db2.gz VWRFXVCQSPAIBB-KPZWWZAWSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1ccc(CN[C@@H](c2cccnc2)C2CCC2)cc1[N+](=O)[O-] ZINC000866540330 1030358531 /nfs/dbraw/zinc/35/85/31/1030358531.db2.gz LIWGTKDLHSHIGI-GOSISDBHSA-N 0 3 311.385 3.929 20 5 DHBDHN Cc1ccc(CN[C@H]2CCCNc3ccccc32)cc1[N+](=O)[O-] ZINC000866539553 1030359226 /nfs/dbraw/zinc/35/92/26/1030359226.db2.gz CUOHUOCPMQBGHL-KRWDZBQOSA-N 0 3 311.385 3.940 20 5 DHBDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000866540078 1030359721 /nfs/dbraw/zinc/35/97/21/1030359721.db2.gz VDSLIPVZEONZLV-CYBMUJFWSA-N 0 3 312.369 3.784 20 5 DHBDHN C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000358176266 1030360253 /nfs/dbraw/zinc/36/02/53/1030360253.db2.gz NHQDMCYGKXSNSF-GFCCVEGCSA-N 0 3 305.403 3.725 20 5 DHBDHN C[C@@H](N[C@H](C)C1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926894361 1030972248 /nfs/dbraw/zinc/97/22/48/1030972248.db2.gz YINLQSCZNGOTFR-NXEZZACHSA-N 0 3 313.195 3.561 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1([C@H]2CCCCO2)CC1 ZINC000927161084 1031124406 /nfs/dbraw/zinc/12/44/06/1031124406.db2.gz OOHHMNITAFIBDA-CZUORRHYSA-N 0 3 304.390 3.656 20 5 DHBDHN Cc1c([C@H](C)NC2([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165189 1031126342 /nfs/dbraw/zinc/12/63/42/1031126342.db2.gz ZYSIXFYOAONXOA-XJKSGUPXSA-N 0 3 304.390 3.656 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCCCO1 ZINC000872027820 1031413005 /nfs/dbraw/zinc/41/30/05/1031413005.db2.gz MHCRYLNPBKGVKA-AAEUAGOBSA-N 0 3 310.419 3.536 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034979 1031419570 /nfs/dbraw/zinc/41/95/70/1031419570.db2.gz SUXKGMRBDMMZBI-VXGBXAGGSA-N 0 3 318.348 3.721 20 5 DHBDHN C[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000872041055 1031425724 /nfs/dbraw/zinc/42/57/24/1031425724.db2.gz PGSAFVYANADFJW-NWDGAFQWSA-N 0 3 303.337 3.583 20 5 DHBDHN CSC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040510 1031426106 /nfs/dbraw/zinc/42/61/06/1031426106.db2.gz ZPOFDUNBUZRQBQ-NXEZZACHSA-N 0 3 300.449 3.719 20 5 DHBDHN C[C@H](NC[C@@]1(C)CCO[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063705 1031458131 /nfs/dbraw/zinc/45/81/31/1031458131.db2.gz SENPGLLNJMRRHC-YMRXKLBXSA-N 0 3 322.380 3.590 20 5 DHBDHN C[C@@H](NCCC1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069895 1031464236 /nfs/dbraw/zinc/46/42/36/1031464236.db2.gz RJLCCYRMTVBVRD-JHJVBQTASA-N 0 3 324.396 3.978 20 5 DHBDHN Cc1cccc(CCCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872069129 1031464541 /nfs/dbraw/zinc/46/45/41/1031464541.db2.gz LKLMSNRVEDNIHA-CYBMUJFWSA-N 0 3 317.364 3.721 20 5 DHBDHN CC(C)[C@H]1C[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076880 1031474036 /nfs/dbraw/zinc/47/40/36/1031474036.db2.gz UTWYALJNLWPLGC-HEHGZKQESA-N 0 3 324.396 3.836 20 5 DHBDHN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872086374 1031481432 /nfs/dbraw/zinc/48/14/32/1031481432.db2.gz WEKUHOGWEPXYHU-NEPJUHHUSA-N 0 3 303.337 3.583 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000872090261 1031485985 /nfs/dbraw/zinc/48/59/85/1031485985.db2.gz OVOPVHVZQFWTAW-ITDIGPHOSA-N 0 3 322.430 3.535 20 5 DHBDHN CC([C@H](OC(=O)C1CC2(CCC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883007 1031753249 /nfs/dbraw/zinc/75/32/49/1031753249.db2.gz XKGSGPPISHHOPU-NHYWBVRUSA-N 0 3 321.348 3.656 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882377 1031754343 /nfs/dbraw/zinc/75/43/43/1031754343.db2.gz UBQBEYFBCGXUEZ-CRQFQMBKSA-N 0 3 321.348 3.511 20 5 DHBDHN CC[C@@H](C[C@H](C)O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779142 1033446339 /nfs/dbraw/zinc/44/63/39/1033446339.db2.gz ZKOONCWRTISTJK-KWQFWETISA-N 0 3 321.204 3.541 20 5 DHBDHN CCOc1ccc([C@@H](C)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000152560553 1033528131 /nfs/dbraw/zinc/52/81/31/1033528131.db2.gz ZUXYKGSAKDYJRT-CYBMUJFWSA-N 0 3 300.358 3.844 20 5 DHBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000553007613 1033578205 /nfs/dbraw/zinc/57/82/05/1033578205.db2.gz FPWYPRPYOVORFB-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN Cc1ccc(F)c(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173215351 1033597360 /nfs/dbraw/zinc/59/73/60/1033597360.db2.gz VHRVFTYBFTVHND-GFCCVEGCSA-N 0 3 320.339 3.902 20 5 DHBDHN Cc1csc([C@H](C)N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212585 1033614039 /nfs/dbraw/zinc/61/40/39/1033614039.db2.gz BEOQZDUAHJDZAU-JQWIXIFHSA-N 0 3 305.403 3.642 20 5 DHBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000179156090 1034287285 /nfs/dbraw/zinc/28/72/85/1034287285.db2.gz JAZHDTFSLRNQTF-UHFFFAOYSA-N 0 3 301.346 3.624 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nccs2)C1 ZINC000880313433 1034293467 /nfs/dbraw/zinc/29/34/67/1034293467.db2.gz AOTWRBKIPQUURG-YPMHNXCESA-N 0 3 303.387 3.602 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CCCCO2)CC1 ZINC000880456765 1034335300 /nfs/dbraw/zinc/33/53/00/1034335300.db2.gz VEFLHXSQHZKSTC-HNNXBMFYSA-N 0 3 318.417 3.999 20 5 DHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880538483 1034354444 /nfs/dbraw/zinc/35/44/44/1034354444.db2.gz LLNHHYJEIZNYIR-JVPBZIDWSA-N 0 3 324.380 3.563 20 5 DHBDHN C[C@@H](CN(C)C/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183256090 1034368447 /nfs/dbraw/zinc/36/84/47/1034368447.db2.gz CLGXYRZNAVMVEP-IYNGYCSASA-N 0 3 317.414 3.800 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](c2ccc(O)cc2)C1 ZINC000600213444 1034810164 /nfs/dbraw/zinc/81/01/64/1034810164.db2.gz FSTCMECIOWSGJD-IVZVJUQRSA-N 0 3 324.380 3.803 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000555794056 1034903742 /nfs/dbraw/zinc/90/37/42/1034903742.db2.gz QVVJIILTNXTOCL-WMLDXEAASA-N 0 3 306.406 3.711 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000483109281 1035228803 /nfs/dbraw/zinc/22/88/03/1035228803.db2.gz LOSSHSZYSOJUIR-GFCCVEGCSA-N 0 3 310.369 3.753 20 5 DHBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC001180688584 1035745018 /nfs/dbraw/zinc/74/50/18/1035745018.db2.gz YVZMUYCUQVTGBA-SECBINFHSA-N 0 3 311.794 3.598 20 5 DHBDHN CCOC[C@@H]1CCCCN1Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001182283601 1036180295 /nfs/dbraw/zinc/18/02/95/1036180295.db2.gz BOADMHLMOQRSGI-HNNXBMFYSA-N 0 3 306.406 3.603 20 5 DHBDHN CC(C)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774831941 1037046098 /nfs/dbraw/zinc/04/60/98/1037046098.db2.gz FZVDHJKLLCUIEB-CYBMUJFWSA-N 0 3 307.350 3.514 20 5 DHBDHN C[C@@H]1CCC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774906720 1037199594 /nfs/dbraw/zinc/19/95/94/1037199594.db2.gz YEAXUJGGECHDKG-VXGBXAGGSA-N 0 3 307.350 3.514 20 5 DHBDHN Cc1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224010 1037244548 /nfs/dbraw/zinc/24/45/48/1037244548.db2.gz ARRNSUAXFAXBFG-FUHWJXTLSA-N 0 3 318.417 3.684 20 5 DHBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000193902093 1037307790 /nfs/dbraw/zinc/30/77/90/1037307790.db2.gz IWQHTUBIJORAFM-CHWSQXEVSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1cc(CN2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000490091284 1037613258 /nfs/dbraw/zinc/61/32/58/1037613258.db2.gz WOWHZDRVLUSZFT-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCSC2)c2ccccc2)c1 ZINC000494036207 1037624342 /nfs/dbraw/zinc/62/43/42/1037624342.db2.gz BPQMZMVPAKYBCO-NVXWUHKLSA-N 0 3 314.410 3.779 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cs1 ZINC000598989912 1038968129 /nfs/dbraw/zinc/96/81/29/1038968129.db2.gz VNSOJJCJOXAHKB-NWANDNLSSA-N 0 3 320.801 3.738 20 5 DHBDHN Cc1c(NC(=O)[C@@H](C)N(C)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000592144791 1039139013 /nfs/dbraw/zinc/13/90/13/1039139013.db2.gz IVVRZKUHLBLNBC-CYBMUJFWSA-N 0 3 321.421 3.598 20 5 DHBDHN CS[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143981 1039722472 /nfs/dbraw/zinc/72/24/72/1039722472.db2.gz CXRCDNRNXTYDKA-CMPLNLGQSA-N 0 3 300.811 3.622 20 5 DHBDHN Cc1cnc(CCNCc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000594523040 1039827844 /nfs/dbraw/zinc/82/78/44/1039827844.db2.gz VURADSDUTUTEDP-UHFFFAOYSA-N 0 3 319.792 3.592 20 5 DHBDHN C[C@H](c1ccc(F)cc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000059371394 1039956177 /nfs/dbraw/zinc/95/61/77/1039956177.db2.gz WACIPWGESQXCRD-CYBMUJFWSA-N 0 3 318.348 3.806 20 5 DHBDHN Cc1cc(F)ccc1C[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000594957854 1039963115 /nfs/dbraw/zinc/96/31/15/1039963115.db2.gz VNGVTXUSHRKAPA-NSHDSACASA-N 0 3 308.378 3.825 20 5 DHBDHN CC1(C)C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000594967712 1039971730 /nfs/dbraw/zinc/97/17/30/1039971730.db2.gz UWZGDFMCQUDWHF-CYBMUJFWSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](c2ccccc2)C1 ZINC000595296824 1040091592 /nfs/dbraw/zinc/09/15/92/1040091592.db2.gz LJJZLKMCIOVZNR-CQSZACIVSA-N 0 3 300.333 3.723 20 5 DHBDHN Cc1noc(CNC2(Cc3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000595431996 1040136168 /nfs/dbraw/zinc/13/61/68/1040136168.db2.gz IICQLFXORGQMRW-UHFFFAOYSA-N 0 3 315.373 3.536 20 5 DHBDHN C[C@H]1c2ccccc2C[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000595709720 1040225226 /nfs/dbraw/zinc/22/52/26/1040225226.db2.gz YUGBIVBQITVFHZ-MEDUHNTESA-N 0 3 300.333 3.552 20 5 DHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(F)CC1 ZINC000595818310 1040248248 /nfs/dbraw/zinc/24/82/48/1040248248.db2.gz GZQPHCAFODJTPZ-UNXYVOJBSA-N 0 3 321.352 3.742 20 5 DHBDHN C[C@H]1C[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000596154969 1040330159 /nfs/dbraw/zinc/33/01/59/1040330159.db2.gz GLJORNOEWNIEHU-GXSJLCMTSA-N 0 3 311.332 3.570 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650448 1040538539 /nfs/dbraw/zinc/53/85/39/1040538539.db2.gz JCTATWGIFSBRKM-PXAZEXFGSA-N 0 3 311.385 3.824 20 5 DHBDHN CC1(NCc2cc(Br)c([N+](=O)[O-])s2)CC=CC1 ZINC000602707124 1041169407 /nfs/dbraw/zinc/16/94/07/1041169407.db2.gz SUZHMXFIMADYFM-UHFFFAOYSA-N 0 3 317.208 3.617 20 5 DHBDHN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728396 185311680 /nfs/dbraw/zinc/31/16/80/185311680.db2.gz KJGHTGSQDPRQCX-ZYHUDNBSSA-N 0 3 317.389 3.962 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000272677297 130052787 /nfs/dbraw/zinc/05/27/87/130052787.db2.gz UULHYZDGNVDFEU-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H]1C[C@@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069102 130086879 /nfs/dbraw/zinc/08/68/79/130086879.db2.gz OAHLFCOPQHKUOH-NEPJUHHUSA-N 0 3 312.797 3.543 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1COc2ccccc21 ZINC000288637326 131333872 /nfs/dbraw/zinc/33/38/72/131333872.db2.gz UAQXAFZULOHAMR-GFCCVEGCSA-N 0 3 318.760 3.514 20 5 DHBDHN C[C@@H](NC1CCC2(CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000570563877 332773780 /nfs/dbraw/zinc/77/37/80/332773780.db2.gz AXHJDUNKMVONHW-TUBUQKNSSA-N 0 3 304.390 3.737 20 5 DHBDHN Cc1cc(NCCc2ccccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302183810 332984401 /nfs/dbraw/zinc/98/44/01/332984401.db2.gz OPVQYBNREOLGFR-UHFFFAOYSA-N 0 3 308.341 3.501 20 5 DHBDHN CC[C@@H]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445799 333021194 /nfs/dbraw/zinc/02/11/94/333021194.db2.gz JYHLMSUUMPDCPT-SMDDNHRTSA-N 0 3 312.797 3.543 20 5 DHBDHN CCOCCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181460177 333030451 /nfs/dbraw/zinc/03/04/51/333030451.db2.gz WRKLORGFDHOSDA-UHFFFAOYSA-N 0 3 303.362 3.680 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000378894453 333061020 /nfs/dbraw/zinc/06/10/20/333061020.db2.gz AXSLQFBKRIMRSJ-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN CC(C)[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535556157 335125317 /nfs/dbraw/zinc/12/53/17/335125317.db2.gz MXMCQHSEPFETEE-AWEZNQCLSA-N 0 3 315.373 3.728 20 5 DHBDHN CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000318570982 333161721 /nfs/dbraw/zinc/16/17/21/333161721.db2.gz LXIKMECKJFUALW-UHFFFAOYSA-N 0 3 300.358 3.592 20 5 DHBDHN COc1cc(C[NH2+]C[C@H](C)C2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000518785167 333228132 /nfs/dbraw/zinc/22/81/32/333228132.db2.gz PKPCNRFSALLPQV-LBPRGKRZSA-N 0 3 322.405 3.615 20 5 DHBDHN C[C@H](CCc1ccc(O)cc1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000390353160 333271066 /nfs/dbraw/zinc/27/10/66/333271066.db2.gz PFHHEUSKCNYJMM-ZIAGYGMSSA-N 0 3 314.385 3.972 20 5 DHBDHN COc1ccc(C)cc1[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000320379300 333802733 /nfs/dbraw/zinc/80/27/33/333802733.db2.gz QRKGFQUVBNQTCJ-CQSZACIVSA-N 0 3 314.385 3.805 20 5 DHBDHN C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503964 334000339 /nfs/dbraw/zinc/00/03/39/334000339.db2.gz RPTYLJOAQSZBND-NEPJUHHUSA-N 0 3 318.398 3.838 20 5 DHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cccnc1 ZINC000271197797 334019740 /nfs/dbraw/zinc/01/97/40/334019740.db2.gz YRHAGYWLZCVFRF-CQSZACIVSA-N 0 3 317.414 3.650 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC(F)(F)C1 ZINC000281369776 334125370 /nfs/dbraw/zinc/12/53/70/334125370.db2.gz GBQIQJDEBKVKOZ-VIFPVBQESA-N 0 3 304.724 3.773 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc2c(c1)CCCN2 ZINC000414968354 334215236 /nfs/dbraw/zinc/21/52/36/334215236.db2.gz CIHURNOILKZULV-UTCJRWHESA-N 0 3 323.396 3.756 20 5 DHBDHN Cc1ccc(CNCc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000414982946 334226672 /nfs/dbraw/zinc/22/66/72/334226672.db2.gz ZOCCEAKXDPFQJN-UHFFFAOYSA-N 0 3 311.385 3.551 20 5 DHBDHN Cc1cc(NCCC2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000323716418 334227773 /nfs/dbraw/zinc/22/77/73/334227773.db2.gz JPVQXMCSWVCBBC-UHFFFAOYSA-N 0 3 315.373 3.680 20 5 DHBDHN CC[C@@H](NCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000342299057 334526342 /nfs/dbraw/zinc/52/63/42/334526342.db2.gz ZLNHJXAFLRPSGX-GOSISDBHSA-N 0 3 313.401 3.772 20 5 DHBDHN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)CC1CCCCCC1 ZINC000444803775 338489802 /nfs/dbraw/zinc/48/98/02/338489802.db2.gz QIBNAEPZYQKLNJ-UHFFFAOYSA-N 0 3 308.426 3.557 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@](C)(O)CCC(C)C ZINC000532232501 335922560 /nfs/dbraw/zinc/92/25/60/335922560.db2.gz HFEYASVNWGLAQG-RHSMWYFYSA-N 0 3 308.422 3.741 20 5 DHBDHN CC1(C)C[C@H](N[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025703 336156145 /nfs/dbraw/zinc/15/61/45/336156145.db2.gz RTLNFPZILYPAKO-NHYWBVRUSA-N 0 3 306.431 3.802 20 5 DHBDHN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000332107747 336159176 /nfs/dbraw/zinc/15/91/76/336159176.db2.gz FOVDPPXKGKMWES-LBPRGKRZSA-N 0 3 315.373 3.870 20 5 DHBDHN COCC[C@H]1CCCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341295 336169209 /nfs/dbraw/zinc/16/92/09/336169209.db2.gz QWOFVUCYDRVDDJ-LSDHHAIUSA-N 0 3 306.406 3.794 20 5 DHBDHN COCC[C@@H]1CCCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338739 336169256 /nfs/dbraw/zinc/16/92/56/336169256.db2.gz QMVVWIOVHSQNFN-GJZGRUSLSA-N 0 3 306.406 3.794 20 5 DHBDHN COc1cc(CN2CC[C@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000352767981 336233965 /nfs/dbraw/zinc/23/39/65/336233965.db2.gz FHKXVPYXTBQXHE-ZDUSSCGKSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970288 336340491 /nfs/dbraw/zinc/34/04/91/336340491.db2.gz DHPNWWIUAIUYNL-SJLPKXTDSA-N 0 3 311.385 3.761 20 5 DHBDHN C[C@H](CNc1sccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301984230 336341382 /nfs/dbraw/zinc/34/13/82/336341382.db2.gz CBYLXDIDPVCQIK-GFCCVEGCSA-N 0 3 305.403 3.589 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861177 336374869 /nfs/dbraw/zinc/37/48/69/336374869.db2.gz GJMAKMAEZFLMKU-IRXDYDNUSA-N 0 3 318.417 3.812 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1COCc2ccccc21 ZINC000418109053 336578182 /nfs/dbraw/zinc/57/81/82/336578182.db2.gz SLROWLSTMCVPBC-CECLQJIQSA-N 0 3 324.380 3.859 20 5 DHBDHN CC[C@H](NCCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358007998 336605892 /nfs/dbraw/zinc/60/58/92/336605892.db2.gz ADHNZNALWAFKKI-KRWDZBQOSA-N 0 3 318.348 3.854 20 5 DHBDHN CC[C@@H](N[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000361877625 336776318 /nfs/dbraw/zinc/77/63/18/336776318.db2.gz QMVHVOUMYABMLL-MSOLQXFVSA-N 0 3 314.385 3.759 20 5 DHBDHN Cc1ccc(CN2CCC([C@H]3CCCOC3)CC2)cc1[N+](=O)[O-] ZINC000367876395 336831438 /nfs/dbraw/zinc/83/14/38/336831438.db2.gz DIAHDUDNPMZNLU-KRWDZBQOSA-N 0 3 318.417 3.542 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCOC2)CC1 ZINC000371636698 336909538 /nfs/dbraw/zinc/90/95/38/336909538.db2.gz DOALVGSIKNJYNP-RHSMWYFYSA-N 0 3 318.417 3.794 20 5 DHBDHN CCOc1ccc([C@@H](C)NCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259624 337175604 /nfs/dbraw/zinc/17/56/04/337175604.db2.gz PMBFRDIAGUKFAJ-HIFRSBDPSA-N 0 3 322.405 3.603 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000183312792 337192943 /nfs/dbraw/zinc/19/29/43/337192943.db2.gz OZSBHXBXRUKKBF-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN Cc1c(CN2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186710061 337258868 /nfs/dbraw/zinc/25/88/68/337258868.db2.gz POGINXRTURDBEJ-LJQANCHMSA-N 0 3 324.380 3.535 20 5 DHBDHN CN(C)[C@H]1CCOc2c(Nc3ccccc3[N+](=O)[O-])cccc21 ZINC000432936052 338174187 /nfs/dbraw/zinc/17/41/87/338174187.db2.gz CDDQKBBHIUYWPM-HNNXBMFYSA-N 0 3 313.357 3.724 20 5 DHBDHN CC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000433304637 338190656 /nfs/dbraw/zinc/19/06/56/338190656.db2.gz NYFJCVLNZGNCNU-GVDBMIGSSA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000446835778 338537639 /nfs/dbraw/zinc/53/76/39/338537639.db2.gz QHNWJJZHWYFZQV-QWHCGFSZSA-N 0 3 314.389 3.530 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@@H](OC)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000453268944 338816555 /nfs/dbraw/zinc/81/65/55/338816555.db2.gz OXTXMGQLFRLNEP-GDZNZVCISA-N 0 3 324.421 3.705 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459786114 339048472 /nfs/dbraw/zinc/04/84/72/339048472.db2.gz BBSVJXBEKNQNPX-QWHCGFSZSA-N 0 3 322.405 3.565 20 5 DHBDHN Cc1cc(CCNCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000462903164 339097067 /nfs/dbraw/zinc/09/70/67/339097067.db2.gz RAEXOFNPFMNCMR-UHFFFAOYSA-N 0 3 304.777 3.889 20 5 DHBDHN Cc1cc(CCNCc2csc([N+](=O)[O-])c2)ccc1Cl ZINC000462909363 339097421 /nfs/dbraw/zinc/09/74/21/339097421.db2.gz DOLSLZBCBOEDIU-UHFFFAOYSA-N 0 3 310.806 3.950 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000468004871 339251007 /nfs/dbraw/zinc/25/10/07/339251007.db2.gz MGZLMUJLRUGBTG-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](C)C(F)(F)F ZINC000468601556 339266904 /nfs/dbraw/zinc/26/69/04/339266904.db2.gz UZSIOPDHMVLBSC-YAEJEKNGSA-N 0 3 302.296 3.786 20 5 DHBDHN CSC[C@H]1CCCN1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179515 339313208 /nfs/dbraw/zinc/31/32/08/339313208.db2.gz YFZCAROPLDTYHX-LRFDDAOPSA-N 0 3 306.431 3.826 20 5 DHBDHN CC[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183900 339313326 /nfs/dbraw/zinc/31/33/26/339313326.db2.gz SVOCJPFCNZDDLI-LRFDDAOPSA-N 0 3 306.431 3.826 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCc1ccccn1 ZINC000470202922 339314197 /nfs/dbraw/zinc/31/41/97/339314197.db2.gz NFLSQUPQGNRTCU-QINSGFPZSA-N 0 3 311.385 3.568 20 5 DHBDHN COC1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000479500159 339538343 /nfs/dbraw/zinc/53/83/43/339538343.db2.gz HNYXJQGOAIONOK-XOYHFGRZSA-N 0 3 306.406 3.841 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccccc1F)C1CC1 ZINC000479851752 339550604 /nfs/dbraw/zinc/55/06/04/339550604.db2.gz NONCUKRCPUZDRU-QGZVFWFLSA-N 0 3 314.360 3.845 20 5 DHBDHN C[C@@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000481190710 339598032 /nfs/dbraw/zinc/59/80/32/339598032.db2.gz LRCJBHJQBIQHPR-NTZNESFSSA-N 0 3 303.362 3.650 20 5 DHBDHN O=[N+]([O-])c1cccc(CCNCc2cc(F)cc(Cl)c2)c1 ZINC000485697350 339709849 /nfs/dbraw/zinc/70/98/49/339709849.db2.gz VXYNPBQUVQPECJ-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN COc1cc(CNC(C)(C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000492851422 339910605 /nfs/dbraw/zinc/91/06/05/339910605.db2.gz KIHHOUHNDCRPQL-UHFFFAOYSA-N 0 3 314.385 3.937 20 5 DHBDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000502559022 340107717 /nfs/dbraw/zinc/10/77/17/340107717.db2.gz LNFWKOPQYSGIJM-LERXQTSPSA-N 0 3 314.332 3.796 20 5 DHBDHN CCCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000506499697 340195706 /nfs/dbraw/zinc/19/57/06/340195706.db2.gz NIOYHQFAFPVULR-UHFFFAOYSA-N 0 3 304.346 3.705 20 5 DHBDHN CCCN(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506751285 340200921 /nfs/dbraw/zinc/20/09/21/340200921.db2.gz JEYXLTOODFXSLC-UHFFFAOYSA-N 0 3 320.414 3.528 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000511075226 340320167 /nfs/dbraw/zinc/32/01/67/340320167.db2.gz RBYXGYIHEOPKQZ-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN CN(CCSc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511093915 340320554 /nfs/dbraw/zinc/32/05/54/340320554.db2.gz FMBOWGCSTNLZRU-UHFFFAOYSA-N 0 3 316.426 3.861 20 5 DHBDHN CSc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511122127 340321544 /nfs/dbraw/zinc/32/15/44/340321544.db2.gz HPUJSXSUTLAYPE-UHFFFAOYSA-N 0 3 316.426 3.991 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](COC(F)F)C1 ZINC000512844224 340380580 /nfs/dbraw/zinc/38/05/80/340380580.db2.gz MCBXRHZWJBREKE-NWDGAFQWSA-N 0 3 314.332 3.525 20 5 DHBDHN Cc1noc(C)c1[C@H](C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015353 340562628 /nfs/dbraw/zinc/56/26/28/340562628.db2.gz XGAWACIQFKEUOA-BMIGLBTASA-N 0 3 315.373 3.580 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)[C@H](O)C(C)C ZINC000540139909 340916243 /nfs/dbraw/zinc/91/62/43/340916243.db2.gz HOBTUPLQFKNLHL-XJKSGUPXSA-N 0 3 308.422 3.597 20 5 DHBDHN CCc1cnccc1[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000540651412 340940351 /nfs/dbraw/zinc/94/03/51/340940351.db2.gz AHYOKRVTGOYLFZ-IZPAUZPXSA-N 0 3 311.385 3.916 20 5 DHBDHN CC(C)(C)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000542320737 341004756 /nfs/dbraw/zinc/00/47/56/341004756.db2.gz UIWAFTMNRDYUET-NSHDSACASA-N 0 3 303.362 3.604 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000544526847 341084931 /nfs/dbraw/zinc/08/49/31/341084931.db2.gz GZZYOHSDJGZNKE-WOSRLPQWSA-N 0 3 312.369 3.810 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000544611513 341088978 /nfs/dbraw/zinc/08/89/78/341088978.db2.gz FUYPFYBOVJYNKS-HOTGVXAUSA-N 0 3 306.431 3.763 20 5 DHBDHN CC[C@@H](CC(F)(F)F)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000544939213 341100321 /nfs/dbraw/zinc/10/03/21/341100321.db2.gz AEMOAWNLQHOBNV-HWPRWLFBSA-N 0 3 302.296 3.929 20 5 DHBDHN CCC(CC)(CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000546870676 341184313 /nfs/dbraw/zinc/18/43/13/341184313.db2.gz YDSGKPFSRDJLHT-CYBMUJFWSA-N 0 3 322.405 3.533 20 5 DHBDHN C[C@H]1C[C@@H]1c1ccc(CNCCc2ccccc2[N+](=O)[O-])o1 ZINC000548723056 341270656 /nfs/dbraw/zinc/27/06/56/341270656.db2.gz OWXBXUZCLLAEMZ-WFASDCNBSA-N 0 3 300.358 3.644 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1 ZINC000548935415 341281494 /nfs/dbraw/zinc/28/14/94/341281494.db2.gz KTMBPUNRLZHXMR-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN Cc1ccnc([C@@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000552062439 341366366 /nfs/dbraw/zinc/36/63/66/341366366.db2.gz XNCKUYIWLOCQIC-OAHLLOKOSA-N 0 3 313.401 3.972 20 5 DHBDHN CCN1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553248136 341421861 /nfs/dbraw/zinc/42/18/61/341421861.db2.gz FKTBEEYLZQJAJZ-UHFFFAOYSA-N 0 3 318.204 3.798 20 5 DHBDHN CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000553313279 341424904 /nfs/dbraw/zinc/42/49/04/341424904.db2.gz DPBKXWRSWLBSCU-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN C[C@@H](NCCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000564820896 341510619 /nfs/dbraw/zinc/51/06/19/341510619.db2.gz SEHVQXLIIFPGMR-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000154178540 341586040 /nfs/dbraw/zinc/58/60/40/341586040.db2.gz CTDOTVGXSNJERN-SECBINFHSA-N 0 3 306.284 3.597 20 5 DHBDHN CC1(C)C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C(C)(C)O1 ZINC000567367188 341599130 /nfs/dbraw/zinc/59/91/30/341599130.db2.gz XPIRFORXKPFOJG-HIFRSBDPSA-N 0 3 304.390 3.518 20 5 DHBDHN CCCC(O)(CCC)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576360631 341842587 /nfs/dbraw/zinc/84/25/87/341842587.db2.gz VLFPQPDKKCOINH-HNNXBMFYSA-N 0 3 306.406 3.503 20 5 DHBDHN CCCO[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721539 520287245 /nfs/dbraw/zinc/28/72/45/520287245.db2.gz HOPOAESAKZLUNN-CABCVRRESA-N 0 3 306.406 3.937 20 5 DHBDHN CCc1nc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000157098333 522285153 /nfs/dbraw/zinc/28/51/53/522285153.db2.gz LELOYVLHIHGDBL-GFCCVEGCSA-N 0 3 319.430 3.815 20 5 DHBDHN C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266807666 525526135 /nfs/dbraw/zinc/52/61/35/525526135.db2.gz UKLQFBUDRZKHST-PRXAMGSTSA-N 0 3 318.348 3.507 20 5 DHBDHN C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000156014028 525554136 /nfs/dbraw/zinc/55/41/36/525554136.db2.gz XBCZUNMYDBEUMM-XKQJLSEDSA-N 0 3 314.389 3.626 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940402 525731963 /nfs/dbraw/zinc/73/19/63/525731963.db2.gz XGUXUGJVMKIOAF-WBMJQRKESA-N 0 3 320.414 3.523 20 5 DHBDHN CSCc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000189474821 525737807 /nfs/dbraw/zinc/73/78/07/525737807.db2.gz ZAWVVAHUQUACOT-UHFFFAOYSA-N 0 3 302.399 3.748 20 5 DHBDHN Cc1c([C@@H](C)NC[C@@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998832 525897286 /nfs/dbraw/zinc/89/72/86/525897286.db2.gz GXCGCBYXBJBMAY-MLGOLLRUSA-N 0 3 320.414 3.523 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000271936235 535420789 /nfs/dbraw/zinc/42/07/89/535420789.db2.gz OJBWRSZBJRHPTE-ZENOOKHLSA-N 0 3 322.405 3.602 20 5 DHBDHN COc1cc(CNCCC2=CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237143693 1013286166 /nfs/dbraw/zinc/28/61/66/1013286166.db2.gz RDTYIJHASYSLMX-UHFFFAOYSA-N 0 3 320.389 3.592 20 5 DHBDHN COC[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093337786 1014342270 /nfs/dbraw/zinc/34/22/70/1014342270.db2.gz QLZDNTGQFXZPSQ-OAHLLOKOSA-N 0 3 306.406 3.577 20 5 DHBDHN CC[C@@H](C)CN(CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177846134 1014414448 /nfs/dbraw/zinc/41/44/48/1014414448.db2.gz CPDQITPGKUSDPX-GFCCVEGCSA-N 0 3 318.377 3.513 20 5 DHBDHN CCCCN(CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(C)o1 ZINC000610485007 1014604573 /nfs/dbraw/zinc/60/45/73/1014604573.db2.gz KDYIHXARQYYYKC-CQSZACIVSA-N 0 3 320.393 3.556 20 5 DHBDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)ccc1[N+](=O)[O-] ZINC000051234148 1015345378 /nfs/dbraw/zinc/34/53/78/1015345378.db2.gz OGZCLCNTHQREJO-AWEZNQCLSA-N 0 3 305.403 3.680 20 5 DHBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000065208930 1015971928 /nfs/dbraw/zinc/97/19/28/1015971928.db2.gz HQXBPFKLKZISGC-UHFFFAOYSA-N 0 3 306.387 3.557 20 5 DHBDHN O=[N+]([O-])c1ccccc1OCCN(Cc1cccs1)C1CC1 ZINC000051421400 1016342369 /nfs/dbraw/zinc/34/23/69/1016342369.db2.gz BVDWGUQKCSPDMA-UHFFFAOYSA-N 0 3 318.398 3.700 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@H]3CC34CC4)o2)c([N+](=O)[O-])c1 ZINC000424184567 1011931875 /nfs/dbraw/zinc/93/18/75/1011931875.db2.gz MWPVPWFMXJULCZ-INIZCTEOSA-N 0 3 314.341 3.506 20 5 DHBDHN CCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@H](C)C1 ZINC000339646870 1012721556 /nfs/dbraw/zinc/72/15/56/1012721556.db2.gz LCOIFOWSGSQSEA-UONOGXRCSA-N 0 3 308.426 3.509 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000516998807 1012886971 /nfs/dbraw/zinc/88/69/71/1012886971.db2.gz BWMWRJGDSSZVDW-IBGZPJMESA-N 0 3 324.380 3.565 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695951 1012972407 /nfs/dbraw/zinc/97/24/07/1012972407.db2.gz WZLDYXAPDXJPCO-DGCLKSJQSA-N 0 3 321.352 3.868 20 5 DHBDHN CCC[C@H](NCc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000268907677 1017838902 /nfs/dbraw/zinc/83/89/02/1017838902.db2.gz SKLBSOADOUPWEV-SFHVURJKSA-N 0 3 314.385 3.718 20 5 DHBDHN Cc1nc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000040675946 1018232116 /nfs/dbraw/zinc/23/21/16/1018232116.db2.gz ZAPRQZOSTTXLSL-JTQLQIEISA-N 0 3 305.403 3.561 20 5 DHBDHN C[C@@H](CC(F)(F)F)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599334 1018441049 /nfs/dbraw/zinc/44/10/49/1018441049.db2.gz JNUUHRSRBSAZBG-TVQRCGJNSA-N 0 3 302.296 3.903 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc([C@@H](C)O)cc1 ZINC000765305428 1018752104 /nfs/dbraw/zinc/75/21/04/1018752104.db2.gz PFVWJVUIQUNRJI-ZIAGYGMSSA-N 0 3 314.385 3.807 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000340511849 1018895823 /nfs/dbraw/zinc/89/58/23/1018895823.db2.gz IZYTUWPJGHNCNM-SNVBAGLBSA-N 0 3 323.755 3.676 20 5 DHBDHN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)C(C)C ZINC000065298521 1019322608 /nfs/dbraw/zinc/32/26/08/1019322608.db2.gz AUBWCLWOEXTDSF-GFCCVEGCSA-N 0 3 318.377 3.511 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611258706 1019424844 /nfs/dbraw/zinc/42/48/44/1019424844.db2.gz FCDJVOCWLZLWKW-CQSZACIVSA-N 0 3 311.385 3.930 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228830 1020152748 /nfs/dbraw/zinc/15/27/48/1020152748.db2.gz KJLHZRFVCSRQDS-YGRLFVJLSA-N 0 3 310.419 3.538 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c[nH]nc2c1 ZINC000179320219 1020251828 /nfs/dbraw/zinc/25/18/28/1020251828.db2.gz FUWUCAFYNPWTKV-UHFFFAOYSA-N 0 3 324.384 3.882 20 5 DHBDHN CS[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000612194712 1020391788 /nfs/dbraw/zinc/39/17/88/1020391788.db2.gz NBOVDNLGBFJUEL-ZDUSSCGKSA-N 0 3 300.399 3.601 20 5 DHBDHN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000298679106 1020421672 /nfs/dbraw/zinc/42/16/72/1020421672.db2.gz FCSNPPQDVCXHGE-ZDUSSCGKSA-N 0 3 300.358 3.768 20 5 DHBDHN CC[C@@H](C)[C@@H]1CCCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052953 1020860189 /nfs/dbraw/zinc/86/01/89/1020860189.db2.gz FZALQAWPUPFYBG-CJNGLKHVSA-N 0 3 316.405 3.803 20 5 DHBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](Cc2ccccc2)C1 ZINC000741790585 1021054261 /nfs/dbraw/zinc/05/42/61/1021054261.db2.gz HTZDGKDWEQBBRR-OAHLLOKOSA-N 0 3 314.360 3.799 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC(C)(C)C1 ZINC000619515272 1021780867 /nfs/dbraw/zinc/78/08/67/1021780867.db2.gz GHPYOSCPBXKPRJ-LBPRGKRZSA-N 0 3 303.362 3.747 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC001168958761 1022200553 /nfs/dbraw/zinc/20/05/53/1022200553.db2.gz PGWWUXOKDDXLPS-NXEZZACHSA-N 0 3 303.189 3.528 20 5 DHBDHN CN(Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005946 1022212141 /nfs/dbraw/zinc/21/21/41/1022212141.db2.gz DKNYITMXFMWXRM-ZWNOBZJWSA-N 0 3 317.216 3.871 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169038489 1022221152 /nfs/dbraw/zinc/22/11/52/1022221152.db2.gz ZDQDLMOLRKYMBW-PVXIVEMSSA-N 0 3 310.344 3.547 20 5 DHBDHN COc1ccc(C2(NC/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000538393360 1033051976 /nfs/dbraw/zinc/05/19/76/1033051976.db2.gz ZKPNXERDBPHYMM-GQCTYLIASA-N 0 3 324.380 3.896 20 5 DHBDHN CC(C)NC(=O)CN(C)Cc1c2ccccc2cc2ccccc21 ZINC000768204001 1022916719 /nfs/dbraw/zinc/91/67/19/1022916719.db2.gz MKGJJSXZCKKRGB-UHFFFAOYSA-N 0 3 320.436 3.949 20 5 DHBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000769034450 1023073578 /nfs/dbraw/zinc/07/35/78/1023073578.db2.gz QEEBJMRXELRZEL-CLFYSBASSA-N 0 3 311.385 3.568 20 5 DHBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481847 1023892173 /nfs/dbraw/zinc/89/21/73/1023892173.db2.gz JNMRUESFQDZGHO-QWHCGFSZSA-N 0 3 312.410 3.840 20 5 DHBDHN CC[C@@H](NC[C@@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806046 1024166470 /nfs/dbraw/zinc/16/64/70/1024166470.db2.gz RWLPYPQHDHOSCW-IAGOWNOFSA-N 0 3 318.348 3.508 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCc2c1cccc2O ZINC000105486805 1024390957 /nfs/dbraw/zinc/39/09/57/1024390957.db2.gz DPUHZWBWGPHMQI-NBUZRDOWSA-N 0 3 310.353 3.591 20 5 DHBDHN CC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883353355 1024400684 /nfs/dbraw/zinc/40/06/84/1024400684.db2.gz SWFWWIGLRONIMT-SCRDCRAPSA-N 0 3 310.369 3.590 20 5 DHBDHN Cc1c(CNCc2ccc3cccnc3c2)cccc1[N+](=O)[O-] ZINC000791000764 1024415490 /nfs/dbraw/zinc/41/54/90/1024415490.db2.gz ZNIMSQRIVUPXIB-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]1C1CCOCC1 ZINC000348946443 1024653775 /nfs/dbraw/zinc/65/37/75/1024653775.db2.gz GJIDZDUPCIRGQC-HNNXBMFYSA-N 0 3 324.808 3.639 20 5 DHBDHN CCCN(CCC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728897116 1024795432 /nfs/dbraw/zinc/79/54/32/1024795432.db2.gz IZUUQOJFOOJAIX-UHFFFAOYSA-N 0 3 302.378 3.538 20 5 DHBDHN CC(C)CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728898872 1024870118 /nfs/dbraw/zinc/87/01/18/1024870118.db2.gz ZVKXAGVXIMEZLA-UHFFFAOYSA-N 0 3 314.389 3.536 20 5 DHBDHN C[C@@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000927013226 1033248981 /nfs/dbraw/zinc/24/89/81/1033248981.db2.gz CUYQDBSCAVISJV-KGLIPLIRSA-N 0 3 304.390 3.737 20 5 DHBDHN CC(C)(C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000793370790 1025010916 /nfs/dbraw/zinc/01/09/16/1025010916.db2.gz RPAZRGOPNWQBIF-ZDUSSCGKSA-N 0 3 321.377 3.761 20 5 DHBDHN Cc1cnc(Cl)c(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897459303 1025356943 /nfs/dbraw/zinc/35/69/43/1025356943.db2.gz JVJWKKUKWPBNJS-GFCCVEGCSA-N 0 3 319.792 3.845 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1CCc1ccccc1 ZINC000885958838 1025420066 /nfs/dbraw/zinc/42/00/66/1025420066.db2.gz MPOGYRFVKBPICY-QGZVFWFLSA-N 0 3 311.385 3.587 20 5 DHBDHN Cc1cc(N2C[C@@H](N3CCCC3)C[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000804811806 1025483024 /nfs/dbraw/zinc/48/30/24/1025483024.db2.gz ABGRKOQAOAVVEG-OLZOCXBDSA-N 0 3 323.824 3.620 20 5 DHBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000886242931 1025570990 /nfs/dbraw/zinc/57/09/90/1025570990.db2.gz JFHBCQPONVHVNI-IRXDYDNUSA-N 0 3 311.385 3.758 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CCCOC2)C1 ZINC000355785046 1025839011 /nfs/dbraw/zinc/83/90/11/1025839011.db2.gz PBUMXAZBQRHNES-YOEHRIQHSA-N 0 3 304.390 3.548 20 5 DHBDHN CSC1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000356065637 1025936266 /nfs/dbraw/zinc/93/62/66/1025936266.db2.gz OOPKFYTUSWOINP-UHFFFAOYSA-N 0 3 306.431 3.845 20 5 DHBDHN CO[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976630 1027508417 /nfs/dbraw/zinc/50/84/17/1027508417.db2.gz KTZUACCISLNTRM-XJKSGUPXSA-N 0 3 306.406 3.711 20 5 DHBDHN C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107405 1027535459 /nfs/dbraw/zinc/53/54/59/1027535459.db2.gz QIAGGVGXHBDQCC-BNICOGTQSA-N 0 3 318.156 3.605 20 5 DHBDHN CC(COC(=O)CCCc1ccc(C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813113829 1027536097 /nfs/dbraw/zinc/53/60/97/1027536097.db2.gz JSSBGVNOCBJLHU-CYBMUJFWSA-N 0 3 307.390 3.515 20 5 DHBDHN C[C@@H](N[C@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875631 1027854113 /nfs/dbraw/zinc/85/41/13/1027854113.db2.gz UCUQGRVVBUAQBU-CJNGLKHVSA-N 0 3 304.390 3.737 20 5 DHBDHN Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000601136577 1027998806 /nfs/dbraw/zinc/99/88/06/1027998806.db2.gz UKTLOAIPYFLDMS-AEFFLSMTSA-N 0 3 312.369 3.523 20 5 DHBDHN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601286378 1028061015 /nfs/dbraw/zinc/06/10/15/1028061015.db2.gz ZWZDASCXZPEYSO-XWIAVFTESA-N 0 3 312.369 3.776 20 5 DHBDHN Cc1ccc2[nH]c(CN[C@@H](C)Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000449168827 1028410856 /nfs/dbraw/zinc/41/08/56/1028410856.db2.gz BQDWLATWRRRUBQ-ZDUSSCGKSA-N 0 3 324.384 3.500 20 5 DHBDHN Cc1ccc2nc(CN[C@@H](C)Cc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000449168827 1028410864 /nfs/dbraw/zinc/41/08/64/1028410864.db2.gz BQDWLATWRRRUBQ-ZDUSSCGKSA-N 0 3 324.384 3.500 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000565216562 1028556733 /nfs/dbraw/zinc/55/67/33/1028556733.db2.gz KGGKUUWFSYJHCU-IAGOWNOFSA-N 0 3 312.344 3.998 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@H]2CSc3ccccc32)cs1 ZINC000449355922 1028590103 /nfs/dbraw/zinc/59/01/03/1028590103.db2.gz AHTCLZLZWSLNSB-NSHDSACASA-N 0 3 306.412 3.635 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@]2(CCSC2)C1 ZINC000449731147 1028940868 /nfs/dbraw/zinc/94/08/68/1028940868.db2.gz HKQMCAXDZWBTIT-ZVVFDCPKSA-N 0 3 318.442 3.827 20 5 DHBDHN CCC(=O)CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550483 1029912203 /nfs/dbraw/zinc/91/22/03/1029912203.db2.gz RXOWRMXIERCNQW-HNNXBMFYSA-N 0 3 304.390 3.534 20 5 DHBDHN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000844393289 1031095965 /nfs/dbraw/zinc/09/59/65/1031095965.db2.gz JMQBXVXBDFBGDM-IRXDYDNUSA-N 0 3 318.348 3.508 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1([C@H]2CCCCO2)CC1 ZINC000927161085 1031123751 /nfs/dbraw/zinc/12/37/51/1031123751.db2.gz OOHHMNITAFIBDA-XJKSGUPXSA-N 0 3 304.390 3.656 20 5 DHBDHN COc1cc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000360052924 1031258203 /nfs/dbraw/zinc/25/82/03/1031258203.db2.gz KWLKVQMQTRCOOA-OLZOCXBDSA-N 0 3 322.405 3.615 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000360209699 1031327833 /nfs/dbraw/zinc/32/78/33/1031327833.db2.gz RGVOYMQHAXWPOK-MRXNPFEDSA-N 0 3 324.808 3.639 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCS[C@@H]2CCCC[C@H]21 ZINC000536696470 1031401058 /nfs/dbraw/zinc/40/10/58/1031401058.db2.gz WZGXBKCQQYYHKI-SLLSNFPASA-N 0 3 318.442 3.968 20 5 DHBDHN C[C@H](N[C@@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068959 1031464808 /nfs/dbraw/zinc/46/48/08/1031464808.db2.gz KDRIQJDWXIBPTA-SWLSCSKDSA-N 0 3 322.380 3.734 20 5 DHBDHN C[C@H](NC[C@@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069825 1031465381 /nfs/dbraw/zinc/46/53/81/1031465381.db2.gz VMGRPWZHEORYKG-VHSXEESVSA-N 0 3 302.296 3.820 20 5 DHBDHN C[C@H](NCC(C)(C)c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078902 1031473891 /nfs/dbraw/zinc/47/38/91/1031473891.db2.gz DSVPJDRCSBZRAI-LBPRGKRZSA-N 0 3 317.364 3.757 20 5 DHBDHN C[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000872079980 1031476969 /nfs/dbraw/zinc/47/69/69/1031476969.db2.gz RBWQUDXIWQGRCI-RKDXNWHRSA-N 0 3 308.275 3.973 20 5 DHBDHN C[C@H](NCC[C@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088323 1031485116 /nfs/dbraw/zinc/48/51/16/1031485116.db2.gz PUWFMZGXIKERFF-IUCAKERBSA-N 0 3 321.179 3.968 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872260060 1031565940 /nfs/dbraw/zinc/56/59/40/1031565940.db2.gz HKNOMJRGIBXRKB-INIZCTEOSA-N 0 3 304.390 3.518 20 5 DHBDHN COCc1csc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873138633 1031725686 /nfs/dbraw/zinc/72/56/86/1031725686.db2.gz UPDRLENLCUOLGE-UHFFFAOYSA-N 0 3 320.414 3.709 20 5 DHBDHN CC([C@@H](OC(=O)C1CC2(CCC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883000 1031753741 /nfs/dbraw/zinc/75/37/41/1031753741.db2.gz XKGSGPPISHHOPU-IAQYHMDHSA-N 0 3 321.348 3.656 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882383 1031753863 /nfs/dbraw/zinc/75/38/63/1031753863.db2.gz UBQBEYFBCGXUEZ-ZPFNRVMVSA-N 0 3 321.348 3.511 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@]2(CC2(F)F)C1 ZINC000877615126 1033382528 /nfs/dbraw/zinc/38/25/28/1033382528.db2.gz QVEWFABLLYTMSO-HNNXBMFYSA-N 0 3 310.344 3.833 20 5 DHBDHN C[C@H](N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902070 1033437803 /nfs/dbraw/zinc/43/78/03/1033437803.db2.gz UTYHRAKCWRAWGQ-FZMZJTMJSA-N 0 3 317.414 3.650 20 5 DHBDHN CC[C@H](C[C@@H](C)O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779143 1033445628 /nfs/dbraw/zinc/44/56/28/1033445628.db2.gz ZKOONCWRTISTJK-LDYMZIIASA-N 0 3 321.204 3.541 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCCC[C@H]2C)c1F ZINC001173190079 1033583281 /nfs/dbraw/zinc/58/32/81/1033583281.db2.gz QAZOKDWCAKDRLF-CHWSQXEVSA-N 0 3 324.396 3.938 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H](C)CC23CC3)c1F ZINC001173191698 1033583711 /nfs/dbraw/zinc/58/37/11/1033583711.db2.gz GKMQIBXHCYOWRE-RYUDHWBXSA-N 0 3 322.380 3.548 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCCC[C@H]2C)c1F ZINC001173190080 1033584120 /nfs/dbraw/zinc/58/41/20/1033584120.db2.gz QAZOKDWCAKDRLF-OLZOCXBDSA-N 0 3 324.396 3.938 20 5 DHBDHN CC[C@H]1CCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188180 1033585207 /nfs/dbraw/zinc/58/52/07/1033585207.db2.gz CZNZDQTZAPZBDP-RYUDHWBXSA-N 0 3 310.369 3.548 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001173228380 1033605516 /nfs/dbraw/zinc/60/55/16/1033605516.db2.gz VTXOBXIQDUQEOQ-DGCLKSJQSA-N 0 3 316.323 3.800 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](CF)c1ccccc1 ZINC001173231582 1033608971 /nfs/dbraw/zinc/60/89/71/1033608971.db2.gz AYJSSMCSABWYGE-SUMWQHHRSA-N 0 3 302.349 3.826 20 5 DHBDHN Cc1nc([C@H](C)N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213113 1033614344 /nfs/dbraw/zinc/61/43/44/1033614344.db2.gz FJYIYXAYKZMLIS-MNOVXSKESA-N 0 3 305.403 3.642 20 5 DHBDHN Cc1nc([C@@H](C)N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213111 1033614714 /nfs/dbraw/zinc/61/47/14/1033614714.db2.gz FJYIYXAYKZMLIS-GHMZBOCLSA-N 0 3 305.403 3.642 20 5 DHBDHN C[C@@H](N)c1nc2ccccc2n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211410 1033615135 /nfs/dbraw/zinc/61/51/35/1033615135.db2.gz RUPNHXLHBLATFY-CHWSQXEVSA-N 0 3 324.384 3.768 20 5 DHBDHN CCC(CC)(CC)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878255972 1033637637 /nfs/dbraw/zinc/63/76/37/1033637637.db2.gz QWKAUVHGCFHQAE-UHFFFAOYSA-N 0 3 318.377 3.703 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264959 1033642867 /nfs/dbraw/zinc/64/28/67/1033642867.db2.gz WABRSGAKGVXMAC-TZMCWYRMSA-N 0 3 303.362 3.729 20 5 DHBDHN Cc1csc([C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008872 1034180683 /nfs/dbraw/zinc/18/06/83/1034180683.db2.gz FEUVCIYZTSUUGC-STQMWFEESA-N 0 3 317.414 3.910 20 5 DHBDHN COCc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643475 1034254908 /nfs/dbraw/zinc/25/49/08/1034254908.db2.gz UQMRLCWKPLSVML-CYBMUJFWSA-N 0 3 300.358 3.592 20 5 DHBDHN C[C@H](CN(C)C/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183256113 1034368801 /nfs/dbraw/zinc/36/88/01/1034368801.db2.gz CLGXYRZNAVMVEP-VUDGCMKMSA-N 0 3 317.414 3.800 20 5 DHBDHN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000184643747 1034489777 /nfs/dbraw/zinc/48/97/77/1034489777.db2.gz WBPDZKKEBYVJTB-GFCCVEGCSA-N 0 3 315.373 3.918 20 5 DHBDHN CCCCO[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193312 1035872945 /nfs/dbraw/zinc/87/29/45/1035872945.db2.gz SMYRPZIGKZKIOO-HZPDHXFCSA-N 0 3 306.406 3.668 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840146 1036564983 /nfs/dbraw/zinc/56/49/83/1036564983.db2.gz BJUGWUNYNDEEJI-KBPBESRZSA-N 0 3 314.385 3.807 20 5 DHBDHN C/C=C\C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606748 1036571851 /nfs/dbraw/zinc/57/18/51/1036571851.db2.gz WOEHUBWSFRODOM-VQTKUKTRSA-N 0 3 304.390 3.782 20 5 DHBDHN CCOc1cc(CN(C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000492534855 1036909349 /nfs/dbraw/zinc/90/93/49/1036909349.db2.gz KQNLOTLUMCGVMP-LBPRGKRZSA-N 0 3 312.435 3.567 20 5 DHBDHN CCOc1cc(CN(C)[C@@H](CC)CSC)ccc1[N+](=O)[O-] ZINC000492723878 1036989949 /nfs/dbraw/zinc/98/99/49/1036989949.db2.gz RHZOAZPNGFITFD-ZDUSSCGKSA-N 0 3 312.435 3.567 20 5 DHBDHN COc1cc(CN[C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492914226 1037058441 /nfs/dbraw/zinc/05/84/41/1037058441.db2.gz WTNXJUDJQCXDQM-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)Cc2ccc(F)cc2)c1 ZINC001185631219 1037200012 /nfs/dbraw/zinc/20/00/12/1037200012.db2.gz ZTVXBOUIXNBUEW-UHFFFAOYSA-N 0 3 317.364 3.586 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(CCOc2ccccc2)C2CC2)cc1 ZINC000490830067 1037821575 /nfs/dbraw/zinc/82/15/75/1037821575.db2.gz WAGJFPZHIKYZKI-UHFFFAOYSA-N 0 3 312.369 3.638 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000491114910 1037907992 /nfs/dbraw/zinc/90/79/92/1037907992.db2.gz QRLMHOBOZAPYNS-OAHLLOKOSA-N 0 3 314.360 3.799 20 5 DHBDHN CC(C)CN(CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001190549588 1038341741 /nfs/dbraw/zinc/34/17/41/1038341741.db2.gz CJPFXCJACVKIRB-UHFFFAOYSA-N 0 3 313.401 3.691 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593696018 1039084919 /nfs/dbraw/zinc/08/49/19/1039084919.db2.gz ATZGKNJDOWPEGX-WASHYIJTSA-N 0 3 308.328 3.729 20 5 DHBDHN COCc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000573862321 1039098250 /nfs/dbraw/zinc/09/82/50/1039098250.db2.gz HYJXCZHALAQCMG-KRWDZBQOSA-N 0 3 312.369 3.518 20 5 DHBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C ZINC000603854128 1039189350 /nfs/dbraw/zinc/18/93/50/1039189350.db2.gz QZMXGYFISWVGPW-VXGBXAGGSA-N 0 3 311.813 3.923 20 5 DHBDHN Cc1ccc(CN(CCc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000603890543 1039215627 /nfs/dbraw/zinc/21/56/27/1039215627.db2.gz CEHKJYPFQDOKKZ-UHFFFAOYSA-N 0 3 300.358 3.703 20 5 DHBDHN CS[C@@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143972 1039721491 /nfs/dbraw/zinc/72/14/91/1039721491.db2.gz CXRCDNRNXTYDKA-ZYHUDNBSSA-N 0 3 300.811 3.622 20 5 DHBDHN CC1(C)C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000594969669 1039949516 /nfs/dbraw/zinc/94/95/16/1039949516.db2.gz ZAWZODROSIZYAE-GFCCVEGCSA-N 0 3 316.357 3.512 20 5 DHBDHN CN(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000059394239 1039952663 /nfs/dbraw/zinc/95/26/63/1039952663.db2.gz XBVUOHMBZCWXQT-MRXNPFEDSA-N 0 3 321.327 3.588 20 5 DHBDHN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000595818784 1040249983 /nfs/dbraw/zinc/24/99/83/1040249983.db2.gz JHYXIIWSXAJBDX-KPPDAEKUSA-N 0 3 316.323 3.879 20 5 DHBDHN Cc1c(CN2CCC([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595789218 1040255845 /nfs/dbraw/zinc/25/58/45/1040255845.db2.gz PKCMVVVTWPZONM-GOSISDBHSA-N 0 3 318.417 3.684 20 5 DHBDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])s1 ZINC000596055568 1040291081 /nfs/dbraw/zinc/29/10/81/1040291081.db2.gz RBLDOHPLORROPT-NSHDSACASA-N 0 3 311.432 3.741 20 5 DHBDHN CCCCCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000063495629 1040328129 /nfs/dbraw/zinc/32/81/29/1040328129.db2.gz PVPVGJHANHNDQU-UHFFFAOYSA-N 0 3 321.421 3.742 20 5 DHBDHN O=[N+]([O-])c1cc(CNCC[C@H]2CCc3ccccc3N2)cs1 ZINC000593319798 1040720128 /nfs/dbraw/zinc/72/01/28/1040720128.db2.gz YDNVWCCXHFMWDT-CQSZACIVSA-N 0 3 317.414 3.563 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(Cc2ccc3[nH]cnc3c2)C2CC2)cc1 ZINC000534336986 1040820354 /nfs/dbraw/zinc/82/03/54/1040820354.db2.gz RLSFXKBGSXFLAE-UHFFFAOYSA-N 0 3 322.368 3.636 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(Cc2ccc3nc[nH]c3c2)C2CC2)cc1 ZINC000534336986 1040820363 /nfs/dbraw/zinc/82/03/63/1040820363.db2.gz RLSFXKBGSXFLAE-UHFFFAOYSA-N 0 3 322.368 3.636 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCc4ccccc43)nc2c1 ZINC000602560662 1041097086 /nfs/dbraw/zinc/09/70/86/1041097086.db2.gz ZOIJACBPRQOHCB-ZDUSSCGKSA-N 0 3 323.352 3.556 20 5 DHBDHN COCc1csc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594726623 1041131986 /nfs/dbraw/zinc/13/19/86/1041131986.db2.gz MVKMXRCWDUPPGO-LLVKDONJSA-N 0 3 306.387 3.654 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000602677137 1041160179 /nfs/dbraw/zinc/16/01/79/1041160179.db2.gz UMUZRBGIIUZHTA-ZFWWWQNUSA-N 0 3 323.352 3.629 20 5 DHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1cn[nH]c1 ZINC000271515705 129928093 /nfs/dbraw/zinc/92/80/93/129928093.db2.gz NSCYMDVEXMSXFC-YPMHNXCESA-N 0 3 320.418 3.539 20 5 DHBDHN Cc1ccncc1[C@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272599041 130045050 /nfs/dbraw/zinc/04/50/50/130045050.db2.gz ITVJVVMJJNIWPV-LBPRGKRZSA-N 0 3 319.792 3.845 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000272628153 130048742 /nfs/dbraw/zinc/04/87/42/130048742.db2.gz MSFIFXIZIMZJAU-SNVBAGLBSA-N 0 3 323.755 3.676 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)CC1 ZINC000284963544 131126836 /nfs/dbraw/zinc/12/68/36/131126836.db2.gz ZYSRTANEEHBPJO-CQSZACIVSA-N 0 3 304.390 3.548 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298273710 132053902 /nfs/dbraw/zinc/05/39/02/132053902.db2.gz NYOKAOYRFMKSCU-GLQYFDAESA-N 0 3 310.344 3.941 20 5 DHBDHN C[C@@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000525875382 335089513 /nfs/dbraw/zinc/08/95/13/335089513.db2.gz SQFZUANEBWTQIU-ZDUSSCGKSA-N 0 3 314.360 3.896 20 5 DHBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181586239 332201057 /nfs/dbraw/zinc/20/10/57/332201057.db2.gz XXKLDVOTVGFYKT-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@H]1C ZINC000408201458 332241189 /nfs/dbraw/zinc/24/11/89/332241189.db2.gz FMSRIMIXJGXCSK-ZIAGYGMSSA-N 0 3 304.390 3.547 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381033 332376372 /nfs/dbraw/zinc/37/63/72/332376372.db2.gz SLINLCBVHCFJAK-DGCLKSJQSA-N 0 3 318.398 3.590 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCCSC3)o2)c1 ZINC000561527885 332459372 /nfs/dbraw/zinc/45/93/72/332459372.db2.gz YBHHEDGUTLDDKZ-ZDUSSCGKSA-N 0 3 318.398 3.840 20 5 DHBDHN Cc1ncsc1CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841578 333034377 /nfs/dbraw/zinc/03/43/77/333034377.db2.gz JUMHSYUJMVSCIC-NSHDSACASA-N 0 3 305.403 3.561 20 5 DHBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000378901873 333061568 /nfs/dbraw/zinc/06/15/68/333061568.db2.gz HUVOHQQITWOQLC-HNNXBMFYSA-N 0 3 300.358 3.844 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000319273474 333279609 /nfs/dbraw/zinc/27/96/09/333279609.db2.gz DJFPXMNRKKGWGU-CQSZACIVSA-N 0 3 300.333 3.723 20 5 DHBDHN CCOC(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186541254 333374579 /nfs/dbraw/zinc/37/45/79/333374579.db2.gz VSYLXYVVQRTLMA-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN C[C@@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448731 333672017 /nfs/dbraw/zinc/67/20/17/333672017.db2.gz FJJQYJWZOKZOBE-NVGVWMPQSA-N 0 3 300.333 3.941 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC(F)(F)C1 ZINC000430005284 333700391 /nfs/dbraw/zinc/70/03/91/333700391.db2.gz MEELFKYQHXTOKR-NSHDSACASA-N 0 3 314.332 3.519 20 5 DHBDHN CCC(O)(CC)C(C)(C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571538041 333815507 /nfs/dbraw/zinc/81/55/07/333815507.db2.gz MYGLOORORIKODU-HNNXBMFYSA-N 0 3 320.433 3.749 20 5 DHBDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000414197415 333912589 /nfs/dbraw/zinc/91/25/89/333912589.db2.gz VSLRSALSJQBNMK-APHBMKBZSA-N 0 3 304.390 3.511 20 5 DHBDHN Cc1ccc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000187640547 334266443 /nfs/dbraw/zinc/26/64/43/334266443.db2.gz CCCFDMSRADNKAA-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN C[C@@H](NCCOC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000531969470 334327703 /nfs/dbraw/zinc/32/77/03/334327703.db2.gz KHBFWMJIBYIPCM-CQSZACIVSA-N 0 3 306.406 3.985 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC(F)(F)C1 ZINC000532016020 334372339 /nfs/dbraw/zinc/37/23/39/334372339.db2.gz WQHYGMIWMHPLKA-LBPRGKRZSA-N 0 3 314.332 3.661 20 5 DHBDHN Cc1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000417347686 334706301 /nfs/dbraw/zinc/70/63/01/334706301.db2.gz HSKVBAFXADKTJJ-GOSISDBHSA-N 0 3 311.385 3.856 20 5 DHBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344382718 335248514 /nfs/dbraw/zinc/24/85/14/335248514.db2.gz AZXZYAIJZVYTHN-YVEFUNNKSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN(C)c1ccccc1 ZINC000532199996 335914934 /nfs/dbraw/zinc/91/49/34/335914934.db2.gz LJMIKMTXIFJQTB-OAHLLOKOSA-N 0 3 313.401 3.690 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCc3ccco3)o2)c1 ZINC000520211031 335939753 /nfs/dbraw/zinc/93/97/53/335939753.db2.gz QZBHVVUGYKUBRC-UHFFFAOYSA-N 0 3 312.325 3.780 20 5 DHBDHN C[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000324661939 336241734 /nfs/dbraw/zinc/24/17/34/336241734.db2.gz GRXGHKMFGXRMQG-ZDUSSCGKSA-N 0 3 322.368 3.836 20 5 DHBDHN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000301139115 336291806 /nfs/dbraw/zinc/29/18/06/336291806.db2.gz GCDUMWIUWAWTJI-INIZCTEOSA-N 0 3 315.373 3.745 20 5 DHBDHN Cc1ccc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000301432185 336306421 /nfs/dbraw/zinc/30/64/21/336306421.db2.gz HJVFANLDEXWBJW-CQSZACIVSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000301820324 336332232 /nfs/dbraw/zinc/33/22/32/336332232.db2.gz AZOGLEDBFXYNEN-YJBOKZPZSA-N 0 3 311.385 3.761 20 5 DHBDHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000301842161 336333573 /nfs/dbraw/zinc/33/35/73/336333573.db2.gz QBKOTKDIDHLHIL-IRXDYDNUSA-N 0 3 315.348 3.591 20 5 DHBDHN CC[C@H](N[C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966403 336379951 /nfs/dbraw/zinc/37/99/51/336379951.db2.gz KNQZSFBQTLPTKM-GJZGRUSLSA-N 0 3 306.406 3.982 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000354699649 336478991 /nfs/dbraw/zinc/47/89/91/336478991.db2.gz GJBVXELBEIXTHI-OCCSQVGLSA-N 0 3 316.357 3.512 20 5 DHBDHN CC[C@@H](NCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358004856 336605769 /nfs/dbraw/zinc/60/57/69/336605769.db2.gz LIJHSODLOMQTIQ-QGZVFWFLSA-N 0 3 318.348 3.854 20 5 DHBDHN CC[C@H](NC[C@@](C)(O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361886902 336776787 /nfs/dbraw/zinc/77/67/87/336776787.db2.gz NNCLIGYSSIEERJ-IRXDYDNUSA-N 0 3 308.422 3.823 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCOC2)CC1 ZINC000371636697 336909590 /nfs/dbraw/zinc/90/95/90/336909590.db2.gz DOALVGSIKNJYNP-PBHICJAKSA-N 0 3 318.417 3.794 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)C1CCCCC1)CCC2 ZINC000583686994 336950074 /nfs/dbraw/zinc/95/00/74/336950074.db2.gz BJCXHYQOLPKZQN-ZWKOTPCHSA-N 0 3 318.417 3.503 20 5 DHBDHN CCc1cnc(CCN[C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000130326508 337432824 /nfs/dbraw/zinc/43/28/24/337432824.db2.gz RDDOWUDBCJXAIF-HNNXBMFYSA-N 0 3 319.430 3.897 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421829375 337647146 /nfs/dbraw/zinc/64/71/46/337647146.db2.gz HRKAGCCWEGBNMY-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN Cc1ccccc1OCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536875318 337788124 /nfs/dbraw/zinc/78/81/24/337788124.db2.gz HKWYDNUGBSNSCO-AWEZNQCLSA-N 0 3 300.358 3.633 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@H]4C[C@H]4C3)cs2)c1 ZINC000424207560 337809362 /nfs/dbraw/zinc/80/93/62/337809362.db2.gz QNEOLZLXKIKUGR-CLLJXQQHSA-N 0 3 315.398 3.606 20 5 DHBDHN CO[C@@H](CNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000537310391 337930454 /nfs/dbraw/zinc/93/04/54/337930454.db2.gz DLPGFDAXFVBKMR-INIZCTEOSA-N 0 3 320.776 3.726 20 5 DHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000428454004 338052572 /nfs/dbraw/zinc/05/25/72/338052572.db2.gz QONWOZQQJYNCBQ-NTMALXAHSA-N 0 3 318.417 3.625 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414435 338080231 /nfs/dbraw/zinc/08/02/31/338080231.db2.gz XZBVZMOKQJLFNR-LRDDRELGSA-N 0 3 304.390 3.977 20 5 DHBDHN CC[C@@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768932 338089459 /nfs/dbraw/zinc/08/94/59/338089459.db2.gz QYPRZHITLPAOPM-MLGOLLRUSA-N 0 3 315.373 3.918 20 5 DHBDHN C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000432145350 338147159 /nfs/dbraw/zinc/14/71/59/338147159.db2.gz RNUBLVVWVNRIAQ-LBPRGKRZSA-N 0 3 323.824 3.559 20 5 DHBDHN C[C@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046841 338178328 /nfs/dbraw/zinc/17/83/28/338178328.db2.gz QPHPXSHNTALTBI-CMPLNLGQSA-N 0 3 314.332 3.817 20 5 DHBDHN C[C@H](NC[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933798 338195863 /nfs/dbraw/zinc/19/58/63/338195863.db2.gz YRIWHSGMPLBZDU-KBXCAEBGSA-N 0 3 313.401 3.548 20 5 DHBDHN C[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000437581736 338314502 /nfs/dbraw/zinc/31/45/02/338314502.db2.gz WZKZFASREAMHKO-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN C[C@H](c1ccco1)N(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440906395 338399661 /nfs/dbraw/zinc/39/96/61/338399661.db2.gz HFLGDDBKICAUPJ-CYBMUJFWSA-N 0 3 316.357 3.792 20 5 DHBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000194414911 338526672 /nfs/dbraw/zinc/52/66/72/338526672.db2.gz KFFVJXAJFAJWAC-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1F ZINC000449106243 338594096 /nfs/dbraw/zinc/59/40/96/338594096.db2.gz LIDOWTQHPIHBNS-NSHDSACASA-N 0 3 306.312 3.594 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCc3c(F)cccc32)c1 ZINC000449352053 338616797 /nfs/dbraw/zinc/61/67/97/338616797.db2.gz RYJMFIXJTXSIJV-QGZVFWFLSA-N 0 3 300.333 3.901 20 5 DHBDHN CCOc1ccc([C@H](C)NCC2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000453219823 338809536 /nfs/dbraw/zinc/80/95/36/338809536.db2.gz IEVQKSHIBQJOBW-ZDUSSCGKSA-N 0 3 322.405 3.603 20 5 DHBDHN CO[C@@H]1C[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754238 339046390 /nfs/dbraw/zinc/04/63/90/339046390.db2.gz JGNSVSJYSVXIJI-DAXOMENPSA-N 0 3 304.390 3.511 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459788606 339048627 /nfs/dbraw/zinc/04/86/27/339048627.db2.gz FHURLSRUXUUYEL-JEBQAFNWSA-N 0 3 318.417 3.529 20 5 DHBDHN CCC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000459788759 339048672 /nfs/dbraw/zinc/04/86/72/339048672.db2.gz FOHVYTIDTQFRTH-ZDUSSCGKSA-N 0 3 303.362 3.794 20 5 DHBDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461734749 339066184 /nfs/dbraw/zinc/06/61/84/339066184.db2.gz QIPPEPNAHLGWLE-CQSZACIVSA-N 0 3 323.393 3.819 20 5 DHBDHN Cc1cc(NC[C@@H](c2cccs2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461734745 339066228 /nfs/dbraw/zinc/06/62/28/339066228.db2.gz QIPPEPNAHLGWLE-AWEZNQCLSA-N 0 3 323.393 3.819 20 5 DHBDHN CCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](C)OC ZINC000462828717 339092826 /nfs/dbraw/zinc/09/28/26/339092826.db2.gz ZHAAEJRHQPRHIV-CYBMUJFWSA-N 0 3 318.373 3.712 20 5 DHBDHN CC(C)O[C@@H]1C[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027220 339101326 /nfs/dbraw/zinc/10/13/26/339101326.db2.gz CVHBEXPHEJRIPD-VBNZEHGJSA-N 0 3 306.406 3.838 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000467460533 339239819 /nfs/dbraw/zinc/23/98/19/339239819.db2.gz TTXKWLXBHIIVIW-GOEBONIOSA-N 0 3 320.433 3.743 20 5 DHBDHN COc1ccccc1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468636081 339267668 /nfs/dbraw/zinc/26/76/68/339267668.db2.gz WWQJGDVUDRCPLA-UVTDQMKNSA-N 0 3 312.369 3.797 20 5 DHBDHN CC1(C)[C@@H](C(F)(F)F)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000469988410 339306974 /nfs/dbraw/zinc/30/69/74/339306974.db2.gz ARVVJHXAXYJGJU-ZDUSSCGKSA-N 0 3 316.323 3.800 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](OCC(C)C)C1 ZINC000470184663 339313397 /nfs/dbraw/zinc/31/33/97/339313397.db2.gz SUFOFGUUVUGPAH-IDGGIGOKSA-N 0 3 318.417 3.745 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C2CCCC2)CC1 ZINC000485775644 339712508 /nfs/dbraw/zinc/71/25/08/339712508.db2.gz UXSJXSCOQDTILE-HNNXBMFYSA-N 0 3 317.433 3.524 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503858654 340135288 /nfs/dbraw/zinc/13/52/88/340135288.db2.gz RHIDKCCCXVWMKY-ZLKJLUDKSA-N 0 3 314.332 3.714 20 5 DHBDHN COc1ccccc1CCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000505472254 340169110 /nfs/dbraw/zinc/16/91/10/340169110.db2.gz RFQLYRMUAVZUMQ-AWEZNQCLSA-N 0 3 314.385 3.887 20 5 DHBDHN COc1cc(CN(C)CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000506340442 340192810 /nfs/dbraw/zinc/19/28/10/340192810.db2.gz LWXDDMWSRGDYMT-UHFFFAOYSA-N 0 3 322.405 3.624 20 5 DHBDHN CCN(CCOC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506460979 340194916 /nfs/dbraw/zinc/19/49/16/340194916.db2.gz SAOLHYVSJUASIM-UHFFFAOYSA-N 0 3 320.414 3.792 20 5 DHBDHN C[C@H](NCC1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000507246164 340215431 /nfs/dbraw/zinc/21/54/31/340215431.db2.gz HGVACDGYRLKVQN-JTQLQIEISA-N 0 3 302.296 3.978 20 5 DHBDHN C[C@@H](c1ccccc1F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511059422 340319804 /nfs/dbraw/zinc/31/98/04/340319804.db2.gz LQLPGXYVRVOTNX-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN Cc1c(CN[C@@H]2CCO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000191933434 340560334 /nfs/dbraw/zinc/56/03/34/340560334.db2.gz IAXIVRYQEYKZPK-AEFFLSMTSA-N 0 3 312.369 3.523 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC1CC(c2ccccc2F)C1 ZINC000237810232 340674045 /nfs/dbraw/zinc/67/40/45/340674045.db2.gz MUJWXBWKUPFSQU-UHFFFAOYSA-N 0 3 300.333 3.770 20 5 DHBDHN C[C@@H](NCCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000540194319 340922757 /nfs/dbraw/zinc/92/27/57/340922757.db2.gz GINFSSCNGYHCFN-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1cscn1 ZINC000129995211 340992453 /nfs/dbraw/zinc/99/24/53/340992453.db2.gz PJZMZPWIFRFUEE-DOMZBBRYSA-N 0 3 317.414 3.552 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1ccc(F)c(F)c1F ZINC000542693397 341017493 /nfs/dbraw/zinc/01/74/93/341017493.db2.gz XHGQCCHIEKDPLV-UHFFFAOYSA-N 0 3 324.302 3.653 20 5 DHBDHN C[C@H](NCCCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000543417730 341043511 /nfs/dbraw/zinc/04/35/11/341043511.db2.gz YXDJIGIJHOXAQU-ZDUSSCGKSA-N 0 3 317.364 3.887 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544440535 341082296 /nfs/dbraw/zinc/08/22/96/341082296.db2.gz SNSRTRIXSNYNIN-IAOVAPTHSA-N 0 3 320.433 3.693 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462407 341090343 /nfs/dbraw/zinc/09/03/43/341090343.db2.gz ZOWCLHXTIXAXCZ-KSSFIOAISA-N 0 3 314.385 3.942 20 5 DHBDHN CC(C)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000132092996 341116223 /nfs/dbraw/zinc/11/62/23/341116223.db2.gz DAARQCUXTPWNKQ-UHFFFAOYSA-N 0 3 305.403 3.507 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCCF)ccc1Oc1ccc(F)cc1 ZINC000136521935 341261197 /nfs/dbraw/zinc/26/11/97/341261197.db2.gz VDPSCLXZFRWZMB-UHFFFAOYSA-N 0 3 322.311 3.975 20 5 DHBDHN COc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)ccc1C ZINC000549806609 341303499 /nfs/dbraw/zinc/30/34/99/341303499.db2.gz VPXXIDSKRPXAHE-UHFFFAOYSA-N 0 3 314.385 3.586 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@](CO)(C(C)C)C1 ZINC000550063118 341309232 /nfs/dbraw/zinc/30/92/32/341309232.db2.gz GGPUTEGRWGOJLK-CRAIPNDOSA-N 0 3 320.433 3.695 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000550211419 341312538 /nfs/dbraw/zinc/31/25/38/341312538.db2.gz INCOZMQOVLVTEG-OAHLLOKOSA-N 0 3 314.360 3.766 20 5 DHBDHN CCOc1ccc([C@H](C)NCCSC(C)C)cc1[N+](=O)[O-] ZINC000554086468 341443300 /nfs/dbraw/zinc/44/33/00/341443300.db2.gz MKUNPPSGJQNUES-LBPRGKRZSA-N 0 3 312.435 3.786 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOc1ccccc1 ZINC000155256560 341605046 /nfs/dbraw/zinc/60/50/46/341605046.db2.gz OLDARQUVHSEXQO-CQSZACIVSA-N 0 3 300.358 3.633 20 5 DHBDHN CCCC(O)(CCC)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576360635 341842622 /nfs/dbraw/zinc/84/26/22/341842622.db2.gz VLFPQPDKKCOINH-OAHLLOKOSA-N 0 3 306.406 3.503 20 5 DHBDHN C[C@H](NCCOc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654280 341960994 /nfs/dbraw/zinc/96/09/94/341960994.db2.gz VLWHWTTYTZRIDX-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN CCC[C@@H](NCCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000108943127 520773696 /nfs/dbraw/zinc/77/36/96/520773696.db2.gz QIMRELPOFUFVQZ-CYBMUJFWSA-N 0 3 320.311 3.605 20 5 DHBDHN CCC[C@@H](NCCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000156012471 520774647 /nfs/dbraw/zinc/77/46/47/520774647.db2.gz UPXOHHXOUBGFSL-QGZVFWFLSA-N 0 3 317.389 3.873 20 5 DHBDHN CC[C@H](NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000163153266 522608847 /nfs/dbraw/zinc/60/88/47/522608847.db2.gz UZLBOKGZUXLAAB-DLBZAZTESA-N 0 3 306.406 3.577 20 5 DHBDHN COCc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158534059 523058000 /nfs/dbraw/zinc/05/80/00/523058000.db2.gz BOYGHBXTWCCWOI-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN C[C@]1(CNCc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000339446580 525268108 /nfs/dbraw/zinc/26/81/08/525268108.db2.gz CLSYTJKACMMQBT-GDBMZVCRSA-N 0 3 302.399 3.940 20 5 DHBDHN CC[C@]1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963094 1032057421 /nfs/dbraw/zinc/05/74/21/1032057421.db2.gz GSAIIUGSVOIHLN-QGZVFWFLSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959326 1017559602 /nfs/dbraw/zinc/55/96/02/1017559602.db2.gz SDZIHUNHBWPZPE-XCBNKYQSSA-N 0 3 321.229 3.885 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000579497982 1014069014 /nfs/dbraw/zinc/06/90/14/1014069014.db2.gz MSPMRMNIKMGHDA-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN C[C@H]1C[C@H]1c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740462 1014325483 /nfs/dbraw/zinc/32/54/83/1014325483.db2.gz PJKPUUWVJXUHDI-XJKSGUPXSA-N 0 3 314.385 3.986 20 5 DHBDHN CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443069029 1014800057 /nfs/dbraw/zinc/80/00/57/1014800057.db2.gz ODUUIMRBRLJJDU-UKRRQHHQSA-N 0 3 306.406 3.718 20 5 DHBDHN CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443069027 1014801351 /nfs/dbraw/zinc/80/13/51/1014801351.db2.gz ODUUIMRBRLJJDU-DZGCQCFKSA-N 0 3 306.406 3.718 20 5 DHBDHN CCS[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429678621 1014963241 /nfs/dbraw/zinc/96/32/41/1014963241.db2.gz GBBJSISCRJUZEY-ZBFHGGJFSA-N 0 3 324.446 3.757 20 5 DHBDHN C[C@H](c1cccs1)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534928 1016202539 /nfs/dbraw/zinc/20/25/39/1016202539.db2.gz YISZBGWNSOYSDH-GFCCVEGCSA-N 0 3 306.387 3.728 20 5 DHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000071954212 1016278890 /nfs/dbraw/zinc/27/88/90/1016278890.db2.gz WASVFEWCECDWBE-RYUDHWBXSA-N 0 3 311.813 3.781 20 5 DHBDHN C[C@@H](c1cccs1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000051502046 1016485966 /nfs/dbraw/zinc/48/59/66/1016485966.db2.gz WGYAKAIIZSPTNT-LBPRGKRZSA-N 0 3 306.387 3.728 20 5 DHBDHN CCN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000425401238 1012573819 /nfs/dbraw/zinc/57/38/19/1012573819.db2.gz GSBOTKKBHJHQSO-UHFFFAOYSA-N 0 3 313.195 3.732 20 5 DHBDHN CC[C@H](C)[C@H](C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609445 1017589305 /nfs/dbraw/zinc/58/93/05/1017589305.db2.gz NCQPGHHXESBWSV-RYUDHWBXSA-N 0 3 316.405 3.870 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000445873480 1018000232 /nfs/dbraw/zinc/00/02/32/1018000232.db2.gz BOJBQYNWSYCCIX-LBPRGKRZSA-N 0 3 320.311 3.670 20 5 DHBDHN Cc1nc([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000611337337 1019447935 /nfs/dbraw/zinc/44/79/35/1019447935.db2.gz USIXRDCSRVFKHL-SNVBAGLBSA-N 0 3 305.403 3.561 20 5 DHBDHN CSCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611518115 1019511451 /nfs/dbraw/zinc/51/14/51/1019511451.db2.gz CMRSJRBJZZBUJP-MRXNPFEDSA-N 0 3 302.399 3.637 20 5 DHBDHN CCOC[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093419235 1020152059 /nfs/dbraw/zinc/15/20/59/1020152059.db2.gz DIVWEFWPDRSIDR-MRXNPFEDSA-N 0 3 320.433 3.967 20 5 DHBDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156785 1020264187 /nfs/dbraw/zinc/26/41/87/1020264187.db2.gz DPLFDNMEIDNVHM-DLBZAZTESA-N 0 3 318.417 3.683 20 5 DHBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000612185765 1020390235 /nfs/dbraw/zinc/39/02/35/1020390235.db2.gz IPHSBYUAOZIEPK-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000554721572 1020563836 /nfs/dbraw/zinc/56/38/36/1020563836.db2.gz CYNVRMYUKODVMH-YVOPTCOOSA-N 0 3 310.353 3.720 20 5 DHBDHN Cc1cc(NC[C@H]2CCCS2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228486117 1020615486 /nfs/dbraw/zinc/61/54/86/1020615486.db2.gz NVIMMVFRJBNXHQ-GFCCVEGCSA-N 0 3 303.387 3.759 20 5 DHBDHN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000766212605 1020688559 /nfs/dbraw/zinc/68/85/59/1020688559.db2.gz RZWRRIVXDVREQP-LBPRGKRZSA-N 0 3 318.348 3.503 20 5 DHBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000742391299 1021110878 /nfs/dbraw/zinc/11/08/78/1021110878.db2.gz GVPKIWFELPTOKJ-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850376320 1021496381 /nfs/dbraw/zinc/49/63/81/1021496381.db2.gz XLQHTVYCHMRRCG-LZZACLKFSA-N 0 3 324.380 3.766 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC(C)(C)C1 ZINC000619515269 1021782148 /nfs/dbraw/zinc/78/21/48/1021782148.db2.gz GHPYOSCPBXKPRJ-GFCCVEGCSA-N 0 3 303.362 3.747 20 5 DHBDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000538445157 1033067543 /nfs/dbraw/zinc/06/75/43/1033067543.db2.gz GXTZSNCKGNKSJG-PXAZEXFGSA-N 0 3 318.348 3.600 20 5 DHBDHN COCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000746654463 1023766815 /nfs/dbraw/zinc/76/68/15/1023766815.db2.gz INQCVHPMZIPHAH-UHFFFAOYSA-N 0 3 312.797 3.639 20 5 DHBDHN C[C@H](N[C@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499518 1023896428 /nfs/dbraw/zinc/89/64/28/1023896428.db2.gz VNNZOXPYNZJBJM-SJCJKPOMSA-N 0 3 311.385 3.905 20 5 DHBDHN C[C@@H](N[C@@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748747 1023934191 /nfs/dbraw/zinc/93/41/91/1023934191.db2.gz AFUBVUXQOFFCGE-QMTHXVAHSA-N 0 3 317.414 3.967 20 5 DHBDHN C[C@H](NCC1(C)CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883257375 1024326344 /nfs/dbraw/zinc/32/63/44/1024326344.db2.gz ZSOOOJYAVZKHGU-VIFPVBQESA-N 0 3 302.296 3.820 20 5 DHBDHN COc1ccc(CN(C)C(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000585754736 1024626207 /nfs/dbraw/zinc/62/62/07/1024626207.db2.gz YPKYKNAUMMYVDR-UHFFFAOYSA-N 0 3 314.385 3.971 20 5 DHBDHN COc1ccc(C[C@H](C)N2CC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC001170352593 1024749651 /nfs/dbraw/zinc/74/96/51/1024749651.db2.gz OGDZXLKWWYRMMW-AWEZNQCLSA-N 0 3 318.417 3.801 20 5 DHBDHN C[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728901072 1024932534 /nfs/dbraw/zinc/93/25/34/1024932534.db2.gz WJMXATHFQDPVNE-AWEZNQCLSA-N 0 3 314.389 3.538 20 5 DHBDHN Cc1ccc(C(C)(C)NC/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000353164265 1024973412 /nfs/dbraw/zinc/97/34/12/1024973412.db2.gz FBDROYQIIUETBK-VURMDHGXSA-N 0 3 311.385 3.836 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CCCCO2)C1 ZINC000365705303 1025070319 /nfs/dbraw/zinc/07/03/19/1025070319.db2.gz PMIGIWMMBSICOL-PBHICJAKSA-N 0 3 304.390 3.691 20 5 DHBDHN COc1cc(CN2CCCC(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000353663586 1025188980 /nfs/dbraw/zinc/18/89/80/1025188980.db2.gz DCBUQCYRBUDRSF-UHFFFAOYSA-N 0 3 322.405 3.624 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC[C@H]2CCC3(CCC3)O2)c(Cl)c1 ZINC001207645462 1025261720 /nfs/dbraw/zinc/26/17/20/1025261720.db2.gz NKLHMBDHNNXAPF-CQSZACIVSA-N 0 3 324.808 3.830 20 5 DHBDHN COc1cc(CN2C[C@@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884234 1025279620 /nfs/dbraw/zinc/27/96/20/1025279620.db2.gz WIBUCUFZIHWPIH-QWHCGFSZSA-N 0 3 322.405 3.623 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819254 1025511717 /nfs/dbraw/zinc/51/17/17/1025511717.db2.gz AMMLVCYWIWLXGP-FUHWJXTLSA-N 0 3 318.417 3.862 20 5 DHBDHN C[C@H](N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1(C)CC1 ZINC000355086913 1025600398 /nfs/dbraw/zinc/60/03/98/1025600398.db2.gz LYHLSFSZPMDZLS-JTQLQIEISA-N 0 3 314.332 3.817 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CSC(C)(C)C ZINC000178729442 1025968813 /nfs/dbraw/zinc/96/88/13/1025968813.db2.gz DOCNIKOPVWPHGH-LLVKDONJSA-N 0 3 312.435 3.613 20 5 DHBDHN COc1ccc(CN2CC[C@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000357043727 1026290593 /nfs/dbraw/zinc/29/05/93/1026290593.db2.gz RHYWLWBPUDSXNU-ZDUSSCGKSA-N 0 3 304.390 3.616 20 5 DHBDHN CC(C)[C@@H]1C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813105988 1027521691 /nfs/dbraw/zinc/52/16/91/1027521691.db2.gz XEBBTCOCBVYNQG-WWGRRREGSA-N 0 3 305.374 3.512 20 5 DHBDHN Cc1sc(C(=O)OCC(C)[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000813105569 1027522080 /nfs/dbraw/zinc/52/20/80/1027522080.db2.gz PCJCBXPLQMDJOH-SECBINFHSA-N 0 3 323.345 3.685 20 5 DHBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN(C2CCC2)C1 ZINC000813630198 1027679212 /nfs/dbraw/zinc/67/92/12/1027679212.db2.gz JDGSDYRJDXVYAN-GFCCVEGCSA-N 0 3 323.824 3.559 20 5 DHBDHN Cc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591483 1028558583 /nfs/dbraw/zinc/55/85/83/1028558583.db2.gz ITCJTXOAGWVLKV-PXAZEXFGSA-N 0 3 311.385 3.824 20 5 DHBDHN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616593 1028572204 /nfs/dbraw/zinc/57/22/04/1028572204.db2.gz SDKKAYFIJDBDBM-WPRPVWTQSA-N 0 3 305.300 3.559 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CSc3ccccc32)c(F)c1 ZINC000449363189 1028573499 /nfs/dbraw/zinc/57/34/99/1028573499.db2.gz LOZWZFKFRPQOJR-LBPRGKRZSA-N 0 3 318.373 3.713 20 5 DHBDHN C[C@@H](N[C@@H](C)C1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924799507 1030193652 /nfs/dbraw/zinc/19/36/52/1030193652.db2.gz SZNSHFFHYNCYBA-ZJUUUORDSA-N 0 3 313.195 3.561 20 5 DHBDHN CC1(C)CC2(CC(NCc3ccc([N+](=O)[O-])cc3Cl)C2)CO1 ZINC000926192791 1030650032 /nfs/dbraw/zinc/65/00/32/1030650032.db2.gz JUEMCTRCWUILGM-UHFFFAOYSA-N 0 3 324.808 3.686 20 5 DHBDHN COc1ccc(CN2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292243 1030892214 /nfs/dbraw/zinc/89/22/14/1030892214.db2.gz DPBFHBJDNSHZFQ-GUYCJALGSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1cnn(C)c1)C(C)C ZINC000927065294 1031062576 /nfs/dbraw/zinc/06/25/76/1031062576.db2.gz GYAKIJHCNWZIJL-CXAGYDPISA-N 0 3 316.405 3.685 20 5 DHBDHN COc1cc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000360052921 1031259643 /nfs/dbraw/zinc/25/96/43/1031259643.db2.gz KWLKVQMQTRCOOA-CHWSQXEVSA-N 0 3 322.405 3.615 20 5 DHBDHN Cc1noc(C)c1CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042406 1031427990 /nfs/dbraw/zinc/42/79/90/1031427990.db2.gz OJLLJTJMOGYUMV-LLVKDONJSA-N 0 3 321.352 3.622 20 5 DHBDHN COC1CCC(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872062155 1031455680 /nfs/dbraw/zinc/45/56/80/1031455680.db2.gz JYIQWDUJTAUDKM-IYXRBSQSSA-N 0 3 324.396 3.980 20 5 DHBDHN CCOC1CC(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872065041 1031460320 /nfs/dbraw/zinc/46/03/20/1031460320.db2.gz RFZSLTBEMIJOKZ-HIFPTAJRSA-N 0 3 310.369 3.590 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@H](C)O1 ZINC000872077317 1031473526 /nfs/dbraw/zinc/47/35/26/1031473526.db2.gz FUIOLLGDKGEGRH-GMXVVIOVSA-N 0 3 310.419 3.535 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000872083811 1031478878 /nfs/dbraw/zinc/47/88/78/1031478878.db2.gz ALCNRQDXXCHZQV-NEPJUHHUSA-N 0 3 322.430 3.679 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000872090264 1031487526 /nfs/dbraw/zinc/48/75/26/1031487526.db2.gz OVOPVHVZQFWTAW-WBIUFABUSA-N 0 3 322.430 3.535 20 5 DHBDHN COc1ccc([C@@H](C)CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000537206324 1031530312 /nfs/dbraw/zinc/53/03/12/1031530312.db2.gz IHTRMIMXFFGXRD-AWEZNQCLSA-N 0 3 314.385 3.839 20 5 DHBDHN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943279 1031712002 /nfs/dbraw/zinc/71/20/02/1031712002.db2.gz YTNCNTCLVMQOSO-MGPLVRAMSA-N 0 3 315.348 3.654 20 5 DHBDHN CC(C)c1ccc(CN(C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000361080793 1031715622 /nfs/dbraw/zinc/71/56/22/1031715622.db2.gz MCJNBPSTCIVIFD-OAHLLOKOSA-N 0 3 306.406 3.718 20 5 DHBDHN Cc1ccsc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872881 1031748933 /nfs/dbraw/zinc/74/89/33/1031748933.db2.gz QABCZDQBSMUVLU-ZWNOBZJWSA-N 0 3 323.345 3.759 20 5 DHBDHN Cc1csc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845881504 1031754889 /nfs/dbraw/zinc/75/48/89/1031754889.db2.gz LLHKKQIYMSJNPP-HZMBPMFUSA-N 0 3 323.345 3.759 20 5 DHBDHN C[C@@H](N(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(C)(C)C ZINC000777955821 1032043881 /nfs/dbraw/zinc/04/38/81/1032043881.db2.gz YSFHCUIWMZBSNW-CYBMUJFWSA-N 0 3 316.405 3.782 20 5 DHBDHN CC[C@H](N[C@H](c1cnn(C)c1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000927064951 1033484942 /nfs/dbraw/zinc/48/49/42/1033484942.db2.gz BMZHWMBYZYPPSG-IRXDYDNUSA-N 0 3 316.405 3.766 20 5 DHBDHN CC[C@H]1CCCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188176 1033583816 /nfs/dbraw/zinc/58/38/16/1033583816.db2.gz CZNZDQTZAPZBDP-NEPJUHHUSA-N 0 3 310.369 3.548 20 5 DHBDHN CC[C@@H]1CCCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188183 1033584605 /nfs/dbraw/zinc/58/46/05/1033584605.db2.gz CZNZDQTZAPZBDP-VXGBXAGGSA-N 0 3 310.369 3.548 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878614931 1033771119 /nfs/dbraw/zinc/77/11/19/1033771119.db2.gz SYWPMFJOLKMHMS-KRWDZBQOSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1nn(CN(C)[C@@H]2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794683324 1034341578 /nfs/dbraw/zinc/34/15/78/1034341578.db2.gz DFXFKWCQWNXWHX-CQSZACIVSA-N 0 3 316.405 3.721 20 5 DHBDHN COC(C)(C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183817996 1034419791 /nfs/dbraw/zinc/41/97/91/1034419791.db2.gz SCXFKUSLRWXUJK-SNVBAGLBSA-N 0 3 300.786 3.541 20 5 DHBDHN CC[C@H](C)CCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001179104834 1035465701 /nfs/dbraw/zinc/46/57/01/1035465701.db2.gz DQOAZUQGWCUBBS-JTQLQIEISA-N 0 3 315.211 3.883 20 5 DHBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC001180091457 1035575604 /nfs/dbraw/zinc/57/56/04/1035575604.db2.gz BLWLTARTDVJSEJ-AWEZNQCLSA-N 0 3 322.405 3.710 20 5 DHBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC001180091457 1035575614 /nfs/dbraw/zinc/57/56/14/1035575614.db2.gz BLWLTARTDVJSEJ-AWEZNQCLSA-N 0 3 322.405 3.710 20 5 DHBDHN CC(C)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000089885642 1035757590 /nfs/dbraw/zinc/75/75/90/1035757590.db2.gz VQEZDUCGIYXHSC-UHFFFAOYSA-N 0 3 315.373 3.870 20 5 DHBDHN C[C@@H]1C[C@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883470 1035764939 /nfs/dbraw/zinc/76/49/39/1035764939.db2.gz XFDCSVSPKCCGLV-BETUJISGSA-N 0 3 315.373 3.728 20 5 DHBDHN C[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000152922711 1036064011 /nfs/dbraw/zinc/06/40/11/1036064011.db2.gz FULWTOIFTFIKJW-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385676 1036316574 /nfs/dbraw/zinc/31/65/74/1036316574.db2.gz GZUVEFGKSKGMEP-SJCJKPOMSA-N 0 3 316.357 3.512 20 5 DHBDHN CC(C)CC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000541547035 1036353415 /nfs/dbraw/zinc/35/34/15/1036353415.db2.gz NMQWFPUCTPKJIP-OAHLLOKOSA-N 0 3 314.813 3.525 20 5 DHBDHN Cc1ccc(CN[C@@H](C)COCC2CCCCC2)cc1[N+](=O)[O-] ZINC001198000339 1036924710 /nfs/dbraw/zinc/92/47/10/1036924710.db2.gz HFEPDYXEIGEACP-HNNXBMFYSA-N 0 3 320.433 3.978 20 5 DHBDHN Cc1cc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC001185089414 1037022420 /nfs/dbraw/zinc/02/24/20/1037022420.db2.gz XDMGIQWPJDARKU-UHFFFAOYSA-N 0 3 323.462 3.667 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCCCO3)o2)c1 ZINC001199905419 1037359296 /nfs/dbraw/zinc/35/92/96/1037359296.db2.gz AKKHNWZCXBTDSM-HNNXBMFYSA-N 0 3 316.357 3.514 20 5 DHBDHN Cc1cc(N(C)CCCN(C)Cc2ccco2)c([N+](=O)[O-])s1 ZINC001186381952 1037397899 /nfs/dbraw/zinc/39/78/99/1037397899.db2.gz ZCZPGSUNTWSUJX-UHFFFAOYSA-N 0 3 323.418 3.516 20 5 DHBDHN CCOc1ccc([C@H](C)NCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000154178645 1037963740 /nfs/dbraw/zinc/96/37/40/1037963740.db2.gz CTDOTVGXSNJERN-VIFPVBQESA-N 0 3 306.284 3.597 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2ccncc2)CC1 ZINC000589195004 1038448049 /nfs/dbraw/zinc/44/80/49/1038448049.db2.gz PWKNMXCAJSWTSJ-HYXAFXHYSA-N 0 3 323.396 3.883 20 5 DHBDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001191743972 1038541123 /nfs/dbraw/zinc/54/11/23/1038541123.db2.gz XSWAZFNWUIJSAQ-HOTGVXAUSA-N 0 3 306.406 3.620 20 5 DHBDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001191743973 1038542003 /nfs/dbraw/zinc/54/20/03/1038542003.db2.gz XSWAZFNWUIJSAQ-HZPDHXFCSA-N 0 3 306.406 3.620 20 5 DHBDHN Cc1ccnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000590757597 1038699497 /nfs/dbraw/zinc/69/94/97/1038699497.db2.gz BODZMGWSENSQID-MRXNPFEDSA-N 0 3 311.385 3.678 20 5 DHBDHN CC1CC(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598647245 1038807301 /nfs/dbraw/zinc/80/73/01/1038807301.db2.gz HRBMBJBAJLTQSA-UHFFFAOYSA-N 0 3 317.414 3.854 20 5 DHBDHN O=[N+]([O-])c1cc(CNCC2(C(F)(F)F)CCCC2)cs1 ZINC000599012810 1038997831 /nfs/dbraw/zinc/99/78/31/1038997831.db2.gz DAVPWVBVGGIGHM-UHFFFAOYSA-N 0 3 308.325 3.869 20 5 DHBDHN COCc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000573862322 1039097235 /nfs/dbraw/zinc/09/72/35/1039097235.db2.gz HYJXCZHALAQCMG-QGZVFWFLSA-N 0 3 312.369 3.518 20 5 DHBDHN C[C@H]1CC2(CN1Cc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592185089 1039172091 /nfs/dbraw/zinc/17/20/91/1039172091.db2.gz VICSQABDIPXDDF-LBPRGKRZSA-N 0 3 324.808 3.639 20 5 DHBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000058563143 1039275331 /nfs/dbraw/zinc/27/53/31/1039275331.db2.gz CCQORTDZEOSGBQ-UHFFFAOYSA-N 0 3 306.387 3.557 20 5 DHBDHN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000058575435 1039280783 /nfs/dbraw/zinc/28/07/83/1039280783.db2.gz DBPMXZPYDZZHNA-UHFFFAOYSA-N 0 3 320.776 3.759 20 5 DHBDHN CCCc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000604473821 1039479210 /nfs/dbraw/zinc/47/92/10/1039479210.db2.gz QDDYSEWMKIKDEM-UHFFFAOYSA-N 0 3 314.385 3.846 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCOc1ccccc1 ZINC000061759082 1039544604 /nfs/dbraw/zinc/54/46/04/1039544604.db2.gz VWVAVNJOIQXUKG-CQSZACIVSA-N 0 3 300.358 3.667 20 5 DHBDHN COCc1csc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594935582 1039951738 /nfs/dbraw/zinc/95/17/38/1039951738.db2.gz GIATYZMKEWYPAN-UHFFFAOYSA-N 0 3 320.414 3.828 20 5 DHBDHN Cc1cc(NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000059394343 1039952694 /nfs/dbraw/zinc/95/26/94/1039952694.db2.gz IFDBYFXPUYRKAB-KRWDZBQOSA-N 0 3 317.364 3.757 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](OC2CCC2)C1 ZINC000594027743 1039955447 /nfs/dbraw/zinc/95/54/47/1039955447.db2.gz ZFXLKPYNJPRCOU-RHSMWYFYSA-N 0 3 318.417 3.998 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@]34C[C@@H]3CCC4)cs2)c1 ZINC000594948810 1039960713 /nfs/dbraw/zinc/96/07/13/1039960713.db2.gz AGWUBPMAYMBUSZ-LRDDRELGSA-N 0 3 315.398 3.751 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(OC)CCCCC1 ZINC000595032778 1040042024 /nfs/dbraw/zinc/04/20/24/1040042024.db2.gz MIRNQXIMTONJON-ZDUSSCGKSA-N 0 3 322.405 3.603 20 5 DHBDHN CCOC1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000595039671 1040044489 /nfs/dbraw/zinc/04/44/89/1040044489.db2.gz VEDGFQDZYCYATN-ZDUSSCGKSA-N 0 3 322.405 3.603 20 5 DHBDHN Cc1noc(CN[C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451383 1040144252 /nfs/dbraw/zinc/14/42/52/1040144252.db2.gz XKXFNWDCYUWDCV-CABCVRRESA-N 0 3 315.373 3.707 20 5 DHBDHN Cc1noc(CN[C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451390 1040144318 /nfs/dbraw/zinc/14/43/18/1040144318.db2.gz XKXFNWDCYUWDCV-HUUCEWRRSA-N 0 3 315.373 3.707 20 5 DHBDHN CC(C)(C)OCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000608836888 1040625014 /nfs/dbraw/zinc/62/50/14/1040625014.db2.gz PJGBOXNXZUAMNA-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN CSCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076761372 185039427 /nfs/dbraw/zinc/03/94/27/185039427.db2.gz DZORCFVKLHAPKH-UHFFFAOYSA-N 0 3 323.443 3.561 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000272130468 130000405 /nfs/dbraw/zinc/00/04/05/130000405.db2.gz WKIVEDHBWVULRW-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN Cc1ccncc1[C@@H](C)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272599038 130045279 /nfs/dbraw/zinc/04/52/79/130045279.db2.gz ITVJVVMJJNIWPV-GFCCVEGCSA-N 0 3 319.792 3.845 20 5 DHBDHN C[C@H](CN(C)[C@H](C)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000273109167 130090310 /nfs/dbraw/zinc/09/03/10/130090310.db2.gz XBXPNBSADARDOF-VXGBXAGGSA-N 0 3 305.403 3.848 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COc3ccccc32)c(Cl)c1 ZINC000288564374 131331025 /nfs/dbraw/zinc/33/10/25/131331025.db2.gz MOEBWYFYTYLHSR-LBPRGKRZSA-N 0 3 318.760 3.514 20 5 DHBDHN CC[C@@H](COCC(F)(F)F)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155569 132001988 /nfs/dbraw/zinc/00/19/88/132001988.db2.gz COCLMRTUZDDDQO-PWSUYJOCSA-N 0 3 320.311 3.603 20 5 DHBDHN COC[C@@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180245594 331564610 /nfs/dbraw/zinc/56/46/10/331564610.db2.gz IWTANVLRWUENDW-KBXCAEBGSA-N 0 3 314.385 3.556 20 5 DHBDHN CC[C@H](C)[C@@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142080080 332150036 /nfs/dbraw/zinc/15/00/36/332150036.db2.gz NSCICNJVHHVXMU-TUAOUCFPSA-N 0 3 318.377 3.730 20 5 DHBDHN CC[C@H](C)[C@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142080496 332150384 /nfs/dbraw/zinc/15/03/84/332150384.db2.gz NSCICNJVHHVXMU-SRVKXCTJSA-N 0 3 318.377 3.730 20 5 DHBDHN Cc1ccc(CN2CC[C@@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000092757837 332167712 /nfs/dbraw/zinc/16/77/12/332167712.db2.gz ISDVLPZKHWQXQE-QGZVFWFLSA-N 0 3 311.385 3.590 20 5 DHBDHN Cc1ccc(CN2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000092757835 332167923 /nfs/dbraw/zinc/16/79/23/332167923.db2.gz ISDVLPZKHWQXQE-KRWDZBQOSA-N 0 3 311.385 3.590 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(C(F)(F)F)CC1 ZINC000560584128 332365459 /nfs/dbraw/zinc/36/54/59/332365459.db2.gz HRPSDIQZJIBGRZ-JTQLQIEISA-N 0 3 302.296 3.896 20 5 DHBDHN COc1cc(F)cc(C[C@H](C)NCc2csc([N+](=O)[O-])c2)c1 ZINC000449781726 332531753 /nfs/dbraw/zinc/53/17/53/332531753.db2.gz JKQXXSYXWBVTEV-JTQLQIEISA-N 0 3 324.377 3.525 20 5 DHBDHN Cc1cc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000562779036 332625762 /nfs/dbraw/zinc/62/57/62/332625762.db2.gz CLTOGOJHGZDYPE-LBPRGKRZSA-N 0 3 306.387 3.694 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110018 333001697 /nfs/dbraw/zinc/00/16/97/333001697.db2.gz UIWSLHYKBLEYKR-XJKSGUPXSA-N 0 3 312.369 3.558 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2CC(c3ccccc3)C2)c(F)c1 ZINC000466422010 333019890 /nfs/dbraw/zinc/01/98/90/333019890.db2.gz PNVCHJUFQTZLKS-UHFFFAOYSA-N 0 3 300.333 3.770 20 5 DHBDHN CCO[C@@H]1C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330213 333034286 /nfs/dbraw/zinc/03/42/86/333034286.db2.gz ZDQYTAUIYMTQTC-UKRRQHHQSA-N 0 3 318.398 3.590 20 5 DHBDHN CO[C@@](C)(CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815413 333118700 /nfs/dbraw/zinc/11/87/00/333118700.db2.gz CZMNCOMDTGMOTB-AEFFLSMTSA-N 0 3 318.417 3.722 20 5 DHBDHN CCC[C@H](N[C@@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327773 333267691 /nfs/dbraw/zinc/26/76/91/333267691.db2.gz CQTATNDIIIUTJT-ZLIFDBKOSA-N 0 3 306.406 3.839 20 5 DHBDHN COc1ccc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000525787623 333313704 /nfs/dbraw/zinc/31/37/04/333313704.db2.gz FUWIRZNOSSYMKD-VHDGCEQUSA-N 0 3 304.390 3.756 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCSC2(CCCCC2)C1 ZINC000531191019 333329818 /nfs/dbraw/zinc/32/98/18/333329818.db2.gz HLNZCGBVCZKCTA-UHFFFAOYSA-N 0 3 306.431 3.847 20 5 DHBDHN Cc1c(CN[C@@H]2CS[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545076 333383922 /nfs/dbraw/zinc/38/39/22/333383922.db2.gz OIFFQDOTOSNDBV-ZFWWWQNUSA-N 0 3 308.447 3.913 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980194 333413109 /nfs/dbraw/zinc/41/31/09/333413109.db2.gz CMOWKODWRZHUTA-RRQGHBQHSA-N 0 3 318.417 3.983 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980192 333413140 /nfs/dbraw/zinc/41/31/40/333413140.db2.gz CMOWKODWRZHUTA-IAOVAPTHSA-N 0 3 318.417 3.983 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414238221 333917927 /nfs/dbraw/zinc/91/79/27/333917927.db2.gz XHMZHNWZCZTXGQ-GVXVVHGQSA-N 0 3 310.419 3.538 20 5 DHBDHN CO[C@@](C)([C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234310 333927694 /nfs/dbraw/zinc/92/76/94/333927694.db2.gz IYFKXLDAYTZKBL-AHIWAGSCSA-N 0 3 306.406 3.757 20 5 DHBDHN COC1([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293671 333934801 /nfs/dbraw/zinc/93/48/01/333934801.db2.gz BRMJFLNRQDSVOP-LRDDRELGSA-N 0 3 304.390 3.519 20 5 DHBDHN Cc1cc(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271654495 334025292 /nfs/dbraw/zinc/02/52/92/334025292.db2.gz VWQDZANKGMURHX-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cc(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271654495 334025294 /nfs/dbraw/zinc/02/52/94/334025294.db2.gz VWQDZANKGMURHX-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222974 334171781 /nfs/dbraw/zinc/17/17/81/334171781.db2.gz IDODAXBMBMFBIS-SUNYJGFJSA-N 0 3 314.385 3.676 20 5 DHBDHN Cc1ccc(CNCc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000415036775 334260548 /nfs/dbraw/zinc/26/05/48/334260548.db2.gz NUOIOEMFAXHMKK-UHFFFAOYSA-N 0 3 311.385 3.551 20 5 DHBDHN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938549 334299524 /nfs/dbraw/zinc/29/95/24/334299524.db2.gz OBFWXWWUIXZRGA-ZQIUZPCESA-N 0 3 306.406 3.841 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000344088919 335217071 /nfs/dbraw/zinc/21/70/71/335217071.db2.gz KZCZZMXYZVPJGG-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H]3C3CC3)co2)cc1 ZINC000366893982 335314923 /nfs/dbraw/zinc/31/49/23/335314923.db2.gz DFHXPHMSGGIQBO-INIZCTEOSA-N 0 3 313.357 3.624 20 5 DHBDHN COc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192591151 336169760 /nfs/dbraw/zinc/16/97/60/336169760.db2.gz SIJQUDYMULUEGD-SFHVURJKSA-N 0 3 312.369 3.771 20 5 DHBDHN CO[C@@H](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685075 336230369 /nfs/dbraw/zinc/23/03/69/336230369.db2.gz RJGZHIOCRPYAQT-KSSFIOAISA-N 0 3 314.385 3.699 20 5 DHBDHN CO[C@]1(C)C[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531608 336254000 /nfs/dbraw/zinc/25/40/00/336254000.db2.gz UGSUWUBLQXXTCM-YLQAJVPDSA-N 0 3 306.406 3.757 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCNC2(c3ccccc3)CCC2)cc1 ZINC000532659119 336265096 /nfs/dbraw/zinc/26/50/96/336265096.db2.gz CBKCDZRSHLBBON-UHFFFAOYSA-N 0 3 312.369 3.643 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](N2CCCC2)C1 ZINC000302653799 336363680 /nfs/dbraw/zinc/36/36/80/336363680.db2.gz HBACFIYHVZMJCD-ZDUSSCGKSA-N 0 3 323.824 3.621 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCC1(C(F)(F)F)CCC1 ZINC000353091265 336400306 /nfs/dbraw/zinc/40/03/06/336400306.db2.gz WFBLQVLQJXONSL-UTCJRWHESA-N 0 3 314.307 3.930 20 5 DHBDHN CCOc1ccc([C@@H](C)NCC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000359002467 336652443 /nfs/dbraw/zinc/65/24/43/336652443.db2.gz OZMKHMKWKCZGBO-SNVBAGLBSA-N 0 3 314.332 3.689 20 5 DHBDHN Cc1ccnc(SCCN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193744433 337079319 /nfs/dbraw/zinc/07/93/19/337079319.db2.gz UYLRKEOBHCWCCE-UHFFFAOYSA-N 0 3 317.414 3.522 20 5 DHBDHN CCC(O)(CC)C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000583763763 337331559 /nfs/dbraw/zinc/33/15/59/337331559.db2.gz JKNURBSRPXICOV-ZDUSSCGKSA-N 0 3 308.422 3.823 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305117 337929851 /nfs/dbraw/zinc/92/98/51/337929851.db2.gz CIUXWEOLPZLOHO-RRQGHBQHSA-N 0 3 318.417 3.983 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC1(O)CCCCCC1 ZINC000426265926 338024039 /nfs/dbraw/zinc/02/40/39/338024039.db2.gz WKQWHUQIGPGWAV-CQSZACIVSA-N 0 3 306.406 3.673 20 5 DHBDHN CCOc1cc(CN2CCC[C@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000429290431 338076447 /nfs/dbraw/zinc/07/64/47/338076447.db2.gz GAHRSZYXGAJRFN-AWEZNQCLSA-N 0 3 324.446 3.569 20 5 DHBDHN C[C@H]1CC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583810 338085334 /nfs/dbraw/zinc/08/53/34/338085334.db2.gz BWBKOAWUTVGRNN-LRDDRELGSA-N 0 3 315.373 3.870 20 5 DHBDHN CC[C@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768926 338089389 /nfs/dbraw/zinc/08/93/89/338089389.db2.gz QYPRZHITLPAOPM-BLLLJJGKSA-N 0 3 315.373 3.918 20 5 DHBDHN CC1(C)CC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000433064210 338179630 /nfs/dbraw/zinc/17/96/30/338179630.db2.gz WPFHPBPVOOWDMI-UHFFFAOYSA-N 0 3 302.296 3.892 20 5 DHBDHN CCC(O)(CC)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433087263 338180993 /nfs/dbraw/zinc/18/09/93/338180993.db2.gz IIXUYJMETHEOFH-INIZCTEOSA-N 0 3 320.433 3.848 20 5 DHBDHN CC1(C)C[C@@H](NCC2(O)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433178570 338184303 /nfs/dbraw/zinc/18/43/03/338184303.db2.gz WQWPMFBWUYODGP-MRXNPFEDSA-N 0 3 318.417 3.602 20 5 DHBDHN CCC(CC)CN(CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435067275 338231553 /nfs/dbraw/zinc/23/15/53/338231553.db2.gz XXQNJUHNRVSMRU-UHFFFAOYSA-N 0 3 305.378 3.994 20 5 DHBDHN CCCC[C@@H](COC)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546025 338556103 /nfs/dbraw/zinc/55/61/03/338556103.db2.gz ZRFWWQABPGOTNX-WMLDXEAASA-N 0 3 306.406 3.767 20 5 DHBDHN COc1ccccc1[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059007 338589244 /nfs/dbraw/zinc/58/92/44/338589244.db2.gz NVVKFGWNVDAMMR-ZIAGYGMSSA-N 0 3 314.385 3.885 20 5 DHBDHN CC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000449216689 338603158 /nfs/dbraw/zinc/60/31/58/338603158.db2.gz UOKJQNSCRFOFDQ-ABAIWWIYSA-N 0 3 317.389 3.872 20 5 DHBDHN CCCc1ncc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000449614049 338641189 /nfs/dbraw/zinc/64/11/89/338641189.db2.gz UKHMFNNRWCGARE-ZDUSSCGKSA-N 0 3 317.389 3.646 20 5 DHBDHN C[C@@H](CCCc1cccnc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC000459641323 339039822 /nfs/dbraw/zinc/03/98/22/339039822.db2.gz MIEOCUXKEUVVKU-ZDUSSCGKSA-N 0 3 317.364 3.630 20 5 DHBDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408267 339116844 /nfs/dbraw/zinc/11/68/44/339116844.db2.gz YLYCZPOUOGMXEL-UHOFOFEASA-N 0 3 306.406 3.838 20 5 DHBDHN COc1ccc(CNCCC2=CCCCCC2)cc1[N+](=O)[O-] ZINC000463711657 339124358 /nfs/dbraw/zinc/12/43/58/339124358.db2.gz SIYVMDHULONYAB-UHFFFAOYSA-N 0 3 304.390 3.974 20 5 DHBDHN COc1ccc([C@H](C)NCCc2ccccc2[N+](=O)[O-])cc1F ZINC000467979384 339250323 /nfs/dbraw/zinc/25/03/23/339250323.db2.gz VNRYULAIFSYIOZ-LBPRGKRZSA-N 0 3 318.348 3.636 20 5 DHBDHN CCOc1ccccc1[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000468005989 339250945 /nfs/dbraw/zinc/25/09/45/339250945.db2.gz RMGHTYHSXDMRFG-CQSZACIVSA-N 0 3 314.385 3.887 20 5 DHBDHN O=[N+]([O-])c1ccccc1CCNCc1ccc(Cl)cc1F ZINC000468011817 339251171 /nfs/dbraw/zinc/25/11/71/339251171.db2.gz NNMSUQKHUHPSKU-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479510002 339538547 /nfs/dbraw/zinc/53/85/47/339538547.db2.gz HQUCZGLLOFAECS-ZFWWWQNUSA-N 0 3 308.422 3.741 20 5 DHBDHN Cc1c(CNC/C=C/c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480455599 339573518 /nfs/dbraw/zinc/57/35/18/339573518.db2.gz MXCFTDLVGSTFES-ONEGZZNKSA-N 0 3 300.333 3.845 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC2(CCCCC2)O1 ZINC000480483857 339574532 /nfs/dbraw/zinc/57/45/32/339574532.db2.gz YGJYVEFMTMIYTA-QGZVFWFLSA-N 0 3 318.417 3.875 20 5 DHBDHN C[C@@H](NCCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481731647 339611700 /nfs/dbraw/zinc/61/17/00/339611700.db2.gz CKAGJZORKHFRAE-CYBMUJFWSA-N 0 3 318.348 3.854 20 5 DHBDHN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCSC2)c2ccccc2)c1 ZINC000494036205 339939535 /nfs/dbraw/zinc/93/95/35/339939535.db2.gz BPQMZMVPAKYBCO-DOTOQJQBSA-N 0 3 314.410 3.779 20 5 DHBDHN CC(C)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000498933993 340026468 /nfs/dbraw/zinc/02/64/68/340026468.db2.gz PESPWADCWHKZBG-QGZVFWFLSA-N 0 3 317.364 3.658 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000503582678 340131731 /nfs/dbraw/zinc/13/17/31/340131731.db2.gz FEYXDHZJPIRLQU-CQSZACIVSA-N 0 3 300.333 3.723 20 5 DHBDHN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000162956025 340193870 /nfs/dbraw/zinc/19/38/70/340193870.db2.gz GZZYOHSDJGZNKE-XEZPLFJOSA-N 0 3 312.369 3.810 20 5 DHBDHN CC[C@@H]1C[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793631 340231664 /nfs/dbraw/zinc/23/16/64/340231664.db2.gz HURPCPBVKZMFJD-RHSMWYFYSA-N 0 3 318.417 3.764 20 5 DHBDHN CC[C@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509359856 340267261 /nfs/dbraw/zinc/26/72/61/340267261.db2.gz SZYOFLQNQIJWHS-JTQLQIEISA-N 0 3 302.321 3.674 20 5 DHBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000510994216 340317391 /nfs/dbraw/zinc/31/73/91/340317391.db2.gz ALVMUYCVCIOKFF-QWHCGFSZSA-N 0 3 317.364 3.801 20 5 DHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000511646391 340333681 /nfs/dbraw/zinc/33/36/81/340333681.db2.gz GRIYSBZKWASEAV-POHAHGRESA-N 0 3 308.381 3.707 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000512599417 340368432 /nfs/dbraw/zinc/36/84/32/340368432.db2.gz CNXRTHCXTOVRLA-LLVKDONJSA-N 0 3 320.776 3.675 20 5 DHBDHN C[C@@H]1CSC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859759 340381142 /nfs/dbraw/zinc/38/11/42/340381142.db2.gz DXIZRUCLVDWHME-ABAIWWIYSA-N 0 3 318.398 3.696 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCC(C)(C)C)CC1 ZINC000516736259 340454841 /nfs/dbraw/zinc/45/48/41/340454841.db2.gz AQUKPEUHONFIBH-OAHLLOKOSA-N 0 3 319.449 3.710 20 5 DHBDHN Cc1ccc([C@@H](C)NCC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000123441099 340780622 /nfs/dbraw/zinc/78/06/22/340780622.db2.gz ZNTNBODJJMYDCW-CQSZACIVSA-N 0 3 306.406 3.639 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(OC(C)C)CC1 ZINC000530341997 340788697 /nfs/dbraw/zinc/78/86/97/340788697.db2.gz WTFMMDMFJQPWIY-PTNGSMBKSA-N 0 3 318.417 3.888 20 5 DHBDHN Cc1c([C@@H](C)NCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000539021485 340865575 /nfs/dbraw/zinc/86/55/75/340865575.db2.gz ZTHWHBMOBACTTA-CYBMUJFWSA-N 0 3 318.348 3.772 20 5 DHBDHN COc1cc(C)ccc1[C@@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000539053341 340868118 /nfs/dbraw/zinc/86/81/18/340868118.db2.gz VAGMJSIAQOKXPC-CQSZACIVSA-N 0 3 314.385 3.805 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCc1ccccc1O ZINC000543251263 341038427 /nfs/dbraw/zinc/03/84/27/341038427.db2.gz YWZVWEWRJPBTDN-CYBMUJFWSA-N 0 3 300.358 3.536 20 5 DHBDHN C[C@@H](NCCCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000543417729 341043425 /nfs/dbraw/zinc/04/34/25/341043425.db2.gz YXDJIGIJHOXAQU-CYBMUJFWSA-N 0 3 317.364 3.887 20 5 DHBDHN C[C@H]1CCC[C@H](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481238 341046726 /nfs/dbraw/zinc/04/67/26/341046726.db2.gz SHHUHDRNERMLNJ-UONOGXRCSA-N 0 3 303.406 3.564 20 5 DHBDHN C[C@H]1OCC[C@]1(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185319 341073317 /nfs/dbraw/zinc/07/33/17/341073317.db2.gz ZTFGACNQUGYVOF-PXAZEXFGSA-N 0 3 316.357 3.512 20 5 DHBDHN CO[C@@]1(C)C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000544352911 341077594 /nfs/dbraw/zinc/07/75/94/341077594.db2.gz DTEKIVJMSLZXPG-HIFRSBDPSA-N 0 3 312.797 3.541 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131444169 341089035 /nfs/dbraw/zinc/08/90/35/341089035.db2.gz IGIYCVZQKICEEK-KSSFIOAISA-N 0 3 314.385 3.942 20 5 DHBDHN CO[C@H](CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131444404 341089072 /nfs/dbraw/zinc/08/90/72/341089072.db2.gz IGIYCVZQKICEEK-RDTXWAMCSA-N 0 3 314.385 3.942 20 5 DHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCOC1 ZINC000132042188 341115392 /nfs/dbraw/zinc/11/53/92/341115392.db2.gz HUSSTTLGHIQWPS-CQSZACIVSA-N 0 3 318.398 3.544 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3C3CCCC3)nc2c1 ZINC000548508988 341264987 /nfs/dbraw/zinc/26/49/87/341264987.db2.gz QGSYOCCHTBUTOB-INIZCTEOSA-N 0 3 314.389 3.626 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC1=Cc2ccccc2OC1 ZINC000549808083 341303656 /nfs/dbraw/zinc/30/36/56/341303656.db2.gz JDJZBJKTCSYTTE-UHFFFAOYSA-N 0 3 324.380 3.545 20 5 DHBDHN CCC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000266649464 341587998 /nfs/dbraw/zinc/58/79/98/341587998.db2.gz XSWTUCWTECERJV-UHFFFAOYSA-N 0 3 312.797 3.545 20 5 DHBDHN Cc1ccc([C@@H](C)NCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000156936011 341629087 /nfs/dbraw/zinc/62/90/87/341629087.db2.gz BHXJLBDYBNYDPD-OAHLLOKOSA-N 0 3 314.385 3.771 20 5 DHBDHN COc1cc(CCNCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000573702350 341736489 /nfs/dbraw/zinc/73/64/89/341736489.db2.gz IHNUNXMFBXAVAH-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN CCCO[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721542 520273827 /nfs/dbraw/zinc/27/38/27/520273827.db2.gz HOPOAESAKZLUNN-HUUCEWRRSA-N 0 3 306.406 3.937 20 5 DHBDHN C[C@H](NC[C@@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753845 525381385 /nfs/dbraw/zinc/38/13/85/525381385.db2.gz DDYSXYZQQVLWED-MEDUHNTESA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000124509719 525526382 /nfs/dbraw/zinc/52/63/82/525526382.db2.gz NIWVUKZRDNCMDE-PRXAMGSTSA-N 0 3 318.348 3.507 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(F)cc1 ZINC000124510172 525610923 /nfs/dbraw/zinc/61/09/23/525610923.db2.gz NIWVUKZRDNCMDE-JKDFXYPNSA-N 0 3 318.348 3.507 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000517736054 1013053305 /nfs/dbraw/zinc/05/33/05/1013053305.db2.gz FPRJVBYVXZNZBD-BBRMVZONSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@@H]1CCC[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083211617 1014001821 /nfs/dbraw/zinc/00/18/21/1014001821.db2.gz DAQCJAZQPZROGH-NWDGAFQWSA-N 0 3 303.362 3.747 20 5 DHBDHN Cc1cccc(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000580068745 1014012654 /nfs/dbraw/zinc/01/26/54/1014012654.db2.gz TWPLZWWJXPGMCI-UHFFFAOYSA-N 0 3 311.385 3.505 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000610811066 1015853115 /nfs/dbraw/zinc/85/31/15/1015853115.db2.gz IBPHUIOSVXTSGY-OAHLLOKOSA-N 0 3 318.760 3.514 20 5 DHBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000294725396 1032132048 /nfs/dbraw/zinc/13/20/48/1032132048.db2.gz FVAZDMHOVYIORX-UHFFFAOYSA-N 0 3 319.792 3.711 20 5 DHBDHN CC1(C)C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)O1 ZINC000773038691 1032535854 /nfs/dbraw/zinc/53/58/54/1032535854.db2.gz BHOGEWMSRQBCTN-CYBMUJFWSA-N 0 3 312.797 3.684 20 5 DHBDHN COc1ccc(CN2CCC3(C2)CCCCC3)cc1[N+](=O)[O-] ZINC000610216174 1012429585 /nfs/dbraw/zinc/42/95/85/1012429585.db2.gz VZSHCWWRHCZHEB-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN C[C@H](NCC1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000171051353 1017841357 /nfs/dbraw/zinc/84/13/57/1017841357.db2.gz IAYGPPJKWWVFAY-ZDUSSCGKSA-N 0 3 310.353 3.721 20 5 DHBDHN CC(C)(C)c1cnc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000447942554 1032760420 /nfs/dbraw/zinc/76/04/20/1032760420.db2.gz HYJXUNQBBOMOQI-UHFFFAOYSA-N 0 3 319.430 3.681 20 5 DHBDHN Cc1nn(CN(CCC(C)C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764880778 1018416358 /nfs/dbraw/zinc/41/63/58/1018416358.db2.gz YRSGOHOJXBOLBW-UHFFFAOYSA-N 0 3 316.405 3.721 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000526007965 1018429232 /nfs/dbraw/zinc/42/92/32/1018429232.db2.gz MYCOZEKCRKHVNC-HNNXBMFYSA-N 0 3 300.333 3.723 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](Nc2ccccc2)C1 ZINC000255831130 1019604880 /nfs/dbraw/zinc/60/48/80/1019604880.db2.gz NLWRKZBQAGOLPL-XOWYPZSQSA-N 0 3 323.396 3.794 20 5 DHBDHN C[C@@H](CN(C)Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000727436971 1019705499 /nfs/dbraw/zinc/70/54/99/1019705499.db2.gz ASEOBUIFMAKDCJ-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000068838323 1019930843 /nfs/dbraw/zinc/93/08/43/1019930843.db2.gz IAFKHACZGZDTTB-INIZCTEOSA-N 0 3 315.373 3.827 20 5 DHBDHN Cc1ccc(CNCc2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000922317217 1019998578 /nfs/dbraw/zinc/99/85/78/1019998578.db2.gz WLDLJEHXGCPCPR-CYBMUJFWSA-N 0 3 312.369 3.516 20 5 DHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000613184895 1020845054 /nfs/dbraw/zinc/84/50/54/1020845054.db2.gz SKIGMMJKWRUZNB-OCCSQVGLSA-N 0 3 317.414 3.589 20 5 DHBDHN CC[C@@H](COCC1CC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850350139 1021481878 /nfs/dbraw/zinc/48/18/78/1021481878.db2.gz OMASHQFDDXMWPT-AWEZNQCLSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000850442588 1021537586 /nfs/dbraw/zinc/53/75/86/1021537586.db2.gz NAHGJXOOJWCWEB-CYBMUJFWSA-N 0 3 312.369 3.771 20 5 DHBDHN CC(COC(=O)c1sc2cccc(F)c2c1Cl)[N+](=O)[O-] ZINC000893047491 1021837031 /nfs/dbraw/zinc/83/70/31/1021837031.db2.gz LYKISIIILDEWDG-LURJTMIESA-N 0 3 317.725 3.516 20 5 DHBDHN COc1ccc(C2(NC/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000538393361 1033050815 /nfs/dbraw/zinc/05/08/15/1033050815.db2.gz ZKPNXERDBPHYMM-XQRVVYSFSA-N 0 3 324.380 3.896 20 5 DHBDHN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCO[C@H]1C1CC1 ZINC000767195740 1022660576 /nfs/dbraw/zinc/66/05/76/1022660576.db2.gz QKNRIEDHBUCLGJ-HOTGVXAUSA-N 0 3 324.808 3.543 20 5 DHBDHN COCCCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290773497 1022981424 /nfs/dbraw/zinc/98/14/24/1022981424.db2.gz BMCAGMDKLSCHNV-UHFFFAOYSA-N 0 3 321.204 3.808 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cl)nc1 ZINC000786812662 1023730965 /nfs/dbraw/zinc/73/09/65/1023730965.db2.gz RUPFCJLVHVQRAG-KPKJPENVSA-N 0 3 317.776 3.836 20 5 DHBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000897418763 1024791422 /nfs/dbraw/zinc/79/14/22/1024791422.db2.gz WDCBPCRARMWPIR-PXAZEXFGSA-N 0 3 324.380 3.868 20 5 DHBDHN CN(CC1CCCC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899771 1024913016 /nfs/dbraw/zinc/91/30/16/1024913016.db2.gz PVWLVRKHDSDDKB-UHFFFAOYSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728901073 1024930924 /nfs/dbraw/zinc/93/09/24/1024930924.db2.gz WJMXATHFQDPVNE-CQSZACIVSA-N 0 3 314.389 3.538 20 5 DHBDHN CC(C)(C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000793370786 1025010376 /nfs/dbraw/zinc/01/03/76/1025010376.db2.gz RPAZRGOPNWQBIF-CYBMUJFWSA-N 0 3 321.377 3.761 20 5 DHBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014091 1025438786 /nfs/dbraw/zinc/43/87/86/1025438786.db2.gz BWHGTUSGCIDNSU-GOEBONIOSA-N 0 3 311.385 3.676 20 5 DHBDHN Cc1cc(N2CC[C@H](N3CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747218327 1025496901 /nfs/dbraw/zinc/49/69/01/1025496901.db2.gz SUCHYMRYWIYLRP-ZDUSSCGKSA-N 0 3 323.824 3.621 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819255 1025514418 /nfs/dbraw/zinc/51/44/18/1025514418.db2.gz AMMLVCYWIWLXGP-SJLPKXTDSA-N 0 3 318.417 3.862 20 5 DHBDHN Cc1ccc([C@@H]2CCN(Cc3cccnc3[N+](=O)[O-])C2)c(C)c1 ZINC000886181723 1025552569 /nfs/dbraw/zinc/55/25/69/1025552569.db2.gz RYPGEPFXSCRLAU-OAHLLOKOSA-N 0 3 311.385 3.596 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCCOc2ccccc2)c(Cl)c1 ZINC000237813143 1025789422 /nfs/dbraw/zinc/78/94/22/1025789422.db2.gz KEQTYYDWTVUJSQ-UHFFFAOYSA-N 0 3 320.776 3.807 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000355785045 1025837885 /nfs/dbraw/zinc/83/78/85/1025837885.db2.gz PBUMXAZBQRHNES-WMLDXEAASA-N 0 3 304.390 3.548 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2ccncc2)CC1 ZINC000289758265 1026160033 /nfs/dbraw/zinc/16/00/33/1026160033.db2.gz JPAUYAFEIRMYQV-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000121949842 1026162976 /nfs/dbraw/zinc/16/29/76/1026162976.db2.gz GEEKDSPKCJTXGH-YVEFUNNKSA-N 0 3 312.369 3.942 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000513496985 1026523156 /nfs/dbraw/zinc/52/31/56/1026523156.db2.gz OPYNLEDBQQUEJV-CQSZACIVSA-N 0 3 300.333 3.723 20 5 DHBDHN C[C@H](N[C@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875630 1027853094 /nfs/dbraw/zinc/85/30/94/1027853094.db2.gz UCUQGRVVBUAQBU-BBRMVZONSA-N 0 3 304.390 3.737 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000934333889 1027967348 /nfs/dbraw/zinc/96/73/48/1027967348.db2.gz RIAQWTCLRDNOGV-QWHCGFSZSA-N 0 3 317.414 3.677 20 5 DHBDHN Cc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000563414920 1028034331 /nfs/dbraw/zinc/03/43/31/1028034331.db2.gz AQQASRSYXBWHAZ-MRXNPFEDSA-N 0 3 300.333 3.819 20 5 DHBDHN CC[C@@H](CC(F)(F)F)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419812 1028039169 /nfs/dbraw/zinc/03/91/69/1028039169.db2.gz ZIECWGFHGNGDBG-JOYOIKCWSA-N 0 3 302.296 3.903 20 5 DHBDHN CC(C)C1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000578343086 1028128185 /nfs/dbraw/zinc/12/81/85/1028128185.db2.gz AMQKNGFRTOCISL-UHFFFAOYSA-N 0 3 317.414 3.997 20 5 DHBDHN CCO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492139 1028688793 /nfs/dbraw/zinc/68/87/93/1028688793.db2.gz IOFVRKLUMTYNRU-KSSFIOAISA-N 0 3 320.433 3.965 20 5 DHBDHN CC(C)CC[C@@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077456182 1028880576 /nfs/dbraw/zinc/88/05/76/1028880576.db2.gz GMKBTEKLUASFJW-OAHLLOKOSA-N 0 3 314.813 3.525 20 5 DHBDHN CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451479598 1029880426 /nfs/dbraw/zinc/88/04/26/1029880426.db2.gz NQPJXGKOUJYDHZ-YUELXQCFSA-N 0 3 324.808 3.541 20 5 DHBDHN Cc1cncc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451552673 1029910484 /nfs/dbraw/zinc/91/04/84/1029910484.db2.gz XAJMUPSMZCJBQD-QGZVFWFLSA-N 0 3 311.385 3.678 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CCSC2)C1 ZINC000451966713 1030073474 /nfs/dbraw/zinc/07/34/74/1030073474.db2.gz POUKIVDFJDMIJO-BBRMVZONSA-N 0 3 306.431 3.875 20 5 DHBDHN COc1ccc2c(c1)CC[C@H]2NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540885 1030361870 /nfs/dbraw/zinc/36/18/70/1030361870.db2.gz SKMIWUDIBXLCAO-QGZVFWFLSA-N 0 3 312.369 3.689 20 5 DHBDHN C[C@H](N[C@@H](C)C1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926494047 1030764834 /nfs/dbraw/zinc/76/48/34/1030764834.db2.gz YINLQSCZNGOTFR-UWVGGRQHSA-N 0 3 313.195 3.561 20 5 DHBDHN C[C@@H]1Cc2cc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917935 1030990987 /nfs/dbraw/zinc/99/09/87/1030990987.db2.gz FCBMOPMSUCGXCV-SJKOYZFVSA-N 0 3 324.380 3.695 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000536696469 1031400944 /nfs/dbraw/zinc/40/09/44/1031400944.db2.gz WZGXBKCQQYYHKI-FWEDBPMCSA-N 0 3 318.442 3.968 20 5 DHBDHN C[C@H](NCC1(CCO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043304 1031427413 /nfs/dbraw/zinc/42/74/13/1031427413.db2.gz WQEAWXDHJJGYNL-ZDUSSCGKSA-N 0 3 324.396 3.717 20 5 DHBDHN C[C@H](N[C@H]1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053036 1031440971 /nfs/dbraw/zinc/44/09/71/1031440971.db2.gz WAMUKUSMSQGPPA-SLEUVZQESA-N 0 3 324.396 3.978 20 5 DHBDHN C[C@@H](NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069899 1031464894 /nfs/dbraw/zinc/46/48/94/1031464894.db2.gz RJLCCYRMTVBVRD-XJFOESAGSA-N 0 3 324.396 3.978 20 5 DHBDHN Cc1cccnc1CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076843 1031471591 /nfs/dbraw/zinc/47/15/91/1031471591.db2.gz UIERIUHHNCVONR-ZDUSSCGKSA-N 0 3 317.364 3.721 20 5 DHBDHN COCC1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078792 1031474536 /nfs/dbraw/zinc/47/45/36/1031474536.db2.gz JWLMWJXBWBTZDU-PNESKVBLSA-N 0 3 310.369 3.590 20 5 DHBDHN CC(C)[C@H]1C[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076881 1031475196 /nfs/dbraw/zinc/47/51/96/1031475196.db2.gz UTWYALJNLWPLGC-WOSRLPQWSA-N 0 3 324.396 3.836 20 5 DHBDHN C[C@H](NCC[C@@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088322 1031486005 /nfs/dbraw/zinc/48/60/05/1031486005.db2.gz PUWFMZGXIKERFF-DTWKUNHWSA-N 0 3 321.179 3.968 20 5 DHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])oc1C ZINC000845874696 1031747286 /nfs/dbraw/zinc/74/72/86/1031747286.db2.gz IJAJMHLGZAFIFU-BMIGLBTASA-N 0 3 321.304 3.599 20 5 DHBDHN CC([C@H](OC(=O)CC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872364 1031747953 /nfs/dbraw/zinc/74/79/53/1031747953.db2.gz HNROVUWPWFLXNW-BZNIZROVSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@H](OC(=O)C=C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877417 1031751399 /nfs/dbraw/zinc/75/13/99/1031751399.db2.gz RPIUWXOGXBJKCQ-ZBEGNZNMSA-N 0 3 307.321 3.576 20 5 DHBDHN Cc1sccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882686 1031753713 /nfs/dbraw/zinc/75/37/13/1031753713.db2.gz PTFJQNQFGSYBIR-OTYXRUKQSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)C1CC(C)(C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883036 1031753980 /nfs/dbraw/zinc/75/39/80/1031753980.db2.gz RARZMKXQDRXRHN-HZMBPMFUSA-N 0 3 309.337 3.511 20 5 DHBDHN CC1(C)CC2(CC(NCc3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000897969190 1031899290 /nfs/dbraw/zinc/89/92/90/1031899290.db2.gz GAWHNBQEPBOAGL-UHFFFAOYSA-N 0 3 324.808 3.686 20 5 DHBDHN COC1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000361508387 1031961912 /nfs/dbraw/zinc/96/19/12/1031961912.db2.gz LLPQZUFUUWKSOY-UHFFFAOYSA-N 0 3 304.390 3.518 20 5 DHBDHN CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)C(C)C ZINC000878000022 1033547245 /nfs/dbraw/zinc/54/72/45/1033547245.db2.gz BVXGCYNXTOYLKC-LBPRGKRZSA-N 0 3 318.377 3.511 20 5 DHBDHN CC[C@H]1CCCCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191327 1033584529 /nfs/dbraw/zinc/58/45/29/1033584529.db2.gz CCZFYWMDPYDZFG-OLZOCXBDSA-N 0 3 324.396 3.938 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](C)[C@H]2C)c1F ZINC001173190930 1033584793 /nfs/dbraw/zinc/58/47/93/1033584793.db2.gz XRAHTWCNTUHFJO-FRRDWIJNSA-N 0 3 324.396 3.794 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](C)CC2)c1F ZINC001173182801 1033584842 /nfs/dbraw/zinc/58/48/42/1033584842.db2.gz UHSVQBQCRJNRLR-OLZOCXBDSA-N 0 3 324.396 3.796 20 5 DHBDHN Cc1ccc(F)c(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173215352 1033597848 /nfs/dbraw/zinc/59/78/48/1033597848.db2.gz VHRVFTYBFTVHND-LBPRGKRZSA-N 0 3 320.339 3.902 20 5 DHBDHN C[C@H](N)c1nc2ccccc2n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211418 1033613720 /nfs/dbraw/zinc/61/37/20/1033613720.db2.gz RUPNHXLHBLATFY-STQMWFEESA-N 0 3 324.384 3.768 20 5 DHBDHN Cc1csc([C@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008870 1034181075 /nfs/dbraw/zinc/18/10/75/1034181075.db2.gz FEUVCIYZTSUUGC-OLZOCXBDSA-N 0 3 317.414 3.910 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(C)(C)O1 ZINC000480511126 1034276712 /nfs/dbraw/zinc/27/67/12/1034276712.db2.gz LBOKHEKHEHCOKT-MRXNPFEDSA-N 0 3 306.406 3.763 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCCCO2)CC1 ZINC000880455077 1034334713 /nfs/dbraw/zinc/33/47/13/1034334713.db2.gz NTUAPOHOVONHQM-CQSZACIVSA-N 0 3 304.390 3.691 20 5 DHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880538484 1034354553 /nfs/dbraw/zinc/35/45/53/1034354553.db2.gz LLNHHYJEIZNYIR-ZOCIIQOWSA-N 0 3 324.380 3.563 20 5 DHBDHN C[C@H](NCCO[C@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480884847 1034494580 /nfs/dbraw/zinc/49/45/80/1034494580.db2.gz NZYKZCXXDVSIFJ-KEYYUXOJSA-N 0 3 306.406 3.841 20 5 DHBDHN COc1cc(CN2CCC[C@]3(CC=CCC3)C2)ccc1[N+](=O)[O-] ZINC000485470927 1035673289 /nfs/dbraw/zinc/67/32/89/1035673289.db2.gz AWEQJESSMCVJHS-GOSISDBHSA-N 0 3 316.401 3.926 20 5 DHBDHN CCCCO[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193313 1035872102 /nfs/dbraw/zinc/87/21/02/1035872102.db2.gz SMYRPZIGKZKIOO-JKSUJKDBSA-N 0 3 306.406 3.668 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC2(CCC2)O1 ZINC001194262533 1035894315 /nfs/dbraw/zinc/89/43/15/1035894315.db2.gz PAWKJGCUKHUBDC-INIZCTEOSA-N 0 3 318.417 3.561 20 5 DHBDHN CC[C@H](C)CN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628352 1036595968 /nfs/dbraw/zinc/59/59/68/1036595968.db2.gz UIKWATOKDMYMNT-JTQLQIEISA-N 0 3 310.785 3.533 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1([C@H]2CCCCO2)CCC1 ZINC001197221511 1036711957 /nfs/dbraw/zinc/71/19/57/1036711957.db2.gz RFXWLJDATHTDGD-OAHLLOKOSA-N 0 3 324.808 3.830 20 5 DHBDHN COc1cc(CNC2(c3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC000489990921 1037580672 /nfs/dbraw/zinc/58/06/72/1037580672.db2.gz SBWLTGWETJSCMA-UHFFFAOYSA-N 0 3 312.369 3.772 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2Cc3ccccc3C2)c1 ZINC000222262758 1038160629 /nfs/dbraw/zinc/16/06/29/1038160629.db2.gz OYFZBLOEQQZNKR-UHFFFAOYSA-N 0 3 302.761 3.505 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC001190975696 1038412239 /nfs/dbraw/zinc/41/22/39/1038412239.db2.gz GPMSBKCOSDWAJX-SFHVURJKSA-N 0 3 316.401 3.926 20 5 DHBDHN CN(C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000057139520 1038572945 /nfs/dbraw/zinc/57/29/45/1038572945.db2.gz MOXKIJORUCKQFT-OAHLLOKOSA-N 0 3 321.327 3.588 20 5 DHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1C ZINC000603854125 1039189836 /nfs/dbraw/zinc/18/98/36/1039189836.db2.gz QZMXGYFISWVGPW-NEPJUHHUSA-N 0 3 311.813 3.923 20 5 DHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000059394334 1039958057 /nfs/dbraw/zinc/95/80/57/1039958057.db2.gz TZTOMMFMKOSGJE-MRXNPFEDSA-N 0 3 321.327 3.588 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000595044474 1040047503 /nfs/dbraw/zinc/04/75/03/1040047503.db2.gz JDMXLCMTCNDEGN-BZPMIXESSA-N 0 3 322.405 3.600 20 5 DHBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329913 1040099941 /nfs/dbraw/zinc/09/99/41/1040099941.db2.gz DOVPNIQCTLYIRM-ZIAGYGMSSA-N 0 3 312.410 3.840 20 5 DHBDHN Cc1c([C@H](C)N[C@H]2CCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000596652906 1040524216 /nfs/dbraw/zinc/52/42/16/1040524216.db2.gz QVPQPEOGALXTSX-SJCJKPOMSA-N 0 3 311.385 3.824 20 5 DHBDHN CCC(C)(C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602534706 1041093578 /nfs/dbraw/zinc/09/35/78/1041093578.db2.gz PUDVHXKTFLCQNN-UHFFFAOYSA-N 0 3 307.213 3.697 20 5 DHBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC1(F)F ZINC000602639415 1041139518 /nfs/dbraw/zinc/13/95/18/1041139518.db2.gz IMVPLNKRTGXYEO-RDDDGLTNSA-N 0 3 324.249 3.747 20 5 DHBDHN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC1(F)F ZINC000602639413 1041140214 /nfs/dbraw/zinc/14/02/14/1041140214.db2.gz IMVPLNKRTGXYEO-CPCISQLKSA-N 0 3 324.249 3.747 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCC2(CCOCC2)C1 ZINC000272293131 130017128 /nfs/dbraw/zinc/01/71/28/130017128.db2.gz HKBKCFOWEUPSNX-OAHLLOKOSA-N 0 3 318.417 3.857 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)CC1 ZINC000284855394 131115920 /nfs/dbraw/zinc/11/59/20/131115920.db2.gz UGPASQNOLLNTFJ-CQSZACIVSA-N 0 3 304.390 3.548 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298273713 132053765 /nfs/dbraw/zinc/05/37/65/132053765.db2.gz NYOKAOYRFMKSCU-TUKIKUTGSA-N 0 3 310.344 3.941 20 5 DHBDHN CC(C)c1ccc(CN(C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000119768494 132136774 /nfs/dbraw/zinc/13/67/74/132136774.db2.gz YTGSRMJIAWHQMP-HNNXBMFYSA-N 0 3 306.406 3.577 20 5 DHBDHN CC(C)OCCCN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000560554631 332359432 /nfs/dbraw/zinc/35/94/32/332359432.db2.gz CSJTUKVIGNIXNG-UHFFFAOYSA-N 0 3 308.422 3.965 20 5 DHBDHN CCC[C@H](CCO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000323184195 332388982 /nfs/dbraw/zinc/38/89/82/332388982.db2.gz FTRIOKHLXCEBRK-CYBMUJFWSA-N 0 3 317.389 3.662 20 5 DHBDHN CC(C)(NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000562925373 332644201 /nfs/dbraw/zinc/64/42/01/332644201.db2.gz DLHQVABFWUGAQZ-AWEZNQCLSA-N 0 3 318.417 3.911 20 5 DHBDHN Cc1c(CNCc2ccc3ncccc3c2)cccc1[N+](=O)[O-] ZINC000323375223 333081345 /nfs/dbraw/zinc/08/13/45/333081345.db2.gz OBIMBEVJIZMGPD-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN CCC[C@@H](NC[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086880 333254896 /nfs/dbraw/zinc/25/48/96/333254896.db2.gz QHMXZUMZJVICBJ-JKSUJKDBSA-N 0 3 308.422 3.823 20 5 DHBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000365015578 333334477 /nfs/dbraw/zinc/33/44/77/333334477.db2.gz COBYBFWUWSFTJT-KRWDZBQOSA-N 0 3 311.385 3.542 20 5 DHBDHN CC(C)c1ccc(CNC(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000531444501 333354038 /nfs/dbraw/zinc/35/40/38/333354038.db2.gz FCHGYXLDDBUDJM-UHFFFAOYSA-N 0 3 308.422 3.605 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000521425843 333380855 /nfs/dbraw/zinc/38/08/55/333380855.db2.gz NMBUCXKUCJEPDT-SFHVURJKSA-N 0 3 314.360 3.941 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493454 333381177 /nfs/dbraw/zinc/38/11/77/333381177.db2.gz LJJWIVSKZOWCLO-YPMHNXCESA-N 0 3 310.369 3.753 20 5 DHBDHN CO[C@](C)([C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943304 333714605 /nfs/dbraw/zinc/71/46/05/333714605.db2.gz IUMZJIIJGULSOE-MEBBXXQBSA-N 0 3 312.797 3.541 20 5 DHBDHN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000414107842 333897521 /nfs/dbraw/zinc/89/75/21/333897521.db2.gz ZGNRGQQHCHSQRO-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1c([C@H](C)NCCc2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000276489954 334079763 /nfs/dbraw/zinc/07/97/63/334079763.db2.gz HMUYPYBANIUQBS-ZDUSSCGKSA-N 0 3 316.405 3.574 20 5 DHBDHN Cc1ccc(CN[C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414915366 334176916 /nfs/dbraw/zinc/17/69/16/334176916.db2.gz MKZNFAPACITOAH-KRWDZBQOSA-N 0 3 311.385 3.653 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000366797670 334598682 /nfs/dbraw/zinc/59/86/82/334598682.db2.gz RAIHFAHLDUKJJA-AWEZNQCLSA-N 0 3 311.385 3.930 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1sc(C)nc1C ZINC000344882708 335282626 /nfs/dbraw/zinc/28/26/26/335282626.db2.gz XRYUOIIKYVXTGF-YRNVUSSQSA-N 0 3 317.414 3.861 20 5 DHBDHN CCCC[C@@H](C)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000583591818 335752710 /nfs/dbraw/zinc/75/27/10/335752710.db2.gz HGSWNQPNQLCYGT-VXGBXAGGSA-N 0 3 304.394 3.776 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nccs2)C1 ZINC000332317062 336168077 /nfs/dbraw/zinc/16/80/77/336168077.db2.gz MWTWDSWNRDVVPW-STQMWFEESA-N 0 3 317.414 3.992 20 5 DHBDHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000301842159 336333670 /nfs/dbraw/zinc/33/36/70/336333670.db2.gz QBKOTKDIDHLHIL-DLBZAZTESA-N 0 3 315.348 3.591 20 5 DHBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301896834 336336868 /nfs/dbraw/zinc/33/68/68/336336868.db2.gz VBLMYUHMYLSEQT-UHFFFAOYSA-N 0 3 321.421 3.668 20 5 DHBDHN Cc1cc(N2CCC[C@@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301983574 336341295 /nfs/dbraw/zinc/34/12/95/336341295.db2.gz KDNBKUAASWABFD-CYBMUJFWSA-N 0 3 323.824 3.621 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(C(F)(F)F)CC1)CCC2 ZINC000353948431 336450630 /nfs/dbraw/zinc/45/06/30/336450630.db2.gz UQNWXDYDTFRTRI-ZDUSSCGKSA-N 0 3 314.307 3.904 20 5 DHBDHN CCC[C@@H](NCCc1nc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000357776945 336597757 /nfs/dbraw/zinc/59/77/57/336597757.db2.gz FRYQIZZFYSACEM-QGZVFWFLSA-N 0 3 317.389 3.873 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCOCC2)s1 ZINC000376507048 337035280 /nfs/dbraw/zinc/03/52/80/337035280.db2.gz SXKNKKAHGAUTIS-UHFFFAOYSA-N 0 3 318.398 3.546 20 5 DHBDHN CCN(CCc1nccs1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182931526 337190696 /nfs/dbraw/zinc/19/06/96/337190696.db2.gz NHDWDIRKVJTFCU-CYBMUJFWSA-N 0 3 319.430 3.985 20 5 DHBDHN Cc1cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421849264 337654836 /nfs/dbraw/zinc/65/48/36/337654836.db2.gz BQMNYPKFOIERSF-SFHVURJKSA-N 0 3 311.385 3.774 20 5 DHBDHN C[C@H]1CC[C@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909529 337875590 /nfs/dbraw/zinc/87/55/90/337875590.db2.gz JUUXEONIOMPBTQ-RYUDHWBXSA-N 0 3 301.346 3.623 20 5 DHBDHN CCOc1cc(CN(C2CCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000429142717 338071749 /nfs/dbraw/zinc/07/17/49/338071749.db2.gz NUDUPFJTMXSTPD-UHFFFAOYSA-N 0 3 304.390 3.901 20 5 DHBDHN COc1ccc(CCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429253474 338075009 /nfs/dbraw/zinc/07/50/09/338075009.db2.gz IKCBXLMEUXRHDB-UHFFFAOYSA-N 0 3 314.385 3.671 20 5 DHBDHN COc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438467653 338344747 /nfs/dbraw/zinc/34/47/47/338344747.db2.gz BQQPIHAINMEWCL-NSHDSACASA-N 0 3 320.311 3.670 20 5 DHBDHN CCO[C@H](CNCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194464703 338532428 /nfs/dbraw/zinc/53/24/28/338532428.db2.gz KXRJPYBBSZJAHY-GOSISDBHSA-N 0 3 314.385 3.771 20 5 DHBDHN CC1(C)CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446830400 338537224 /nfs/dbraw/zinc/53/72/24/338537224.db2.gz RXEZGXMPLZCDNH-LLVKDONJSA-N 0 3 302.378 3.530 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2O[C@@H]1C ZINC000449329464 338613675 /nfs/dbraw/zinc/61/36/75/338613675.db2.gz OJXNYNIHRMFRAN-SNUQEOBHSA-N 0 3 312.369 3.638 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000459431713 339028856 /nfs/dbraw/zinc/02/88/56/339028856.db2.gz SVQPGTOESVPSIK-JONQDZQNSA-N 0 3 324.446 3.545 20 5 DHBDHN C[C@H](CCCc1cccnc1)NCc1csc([N+](=O)[O-])c1 ZINC000459644405 339040034 /nfs/dbraw/zinc/04/00/34/339040034.db2.gz PEUDDQPOAZTZFI-GFCCVEGCSA-N 0 3 305.403 3.552 20 5 DHBDHN C[C@H](CCCc1cccnc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000459648779 339040316 /nfs/dbraw/zinc/04/03/16/339040316.db2.gz VEXQFNOIMPMXDC-CYBMUJFWSA-N 0 3 317.364 3.630 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459788602 339048689 /nfs/dbraw/zinc/04/86/89/339048689.db2.gz FHURLSRUXUUYEL-DOPJRALCSA-N 0 3 318.417 3.529 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000467460535 339239840 /nfs/dbraw/zinc/23/98/40/339239840.db2.gz TTXKWLXBHIIVIW-ZBFHGGJFSA-N 0 3 320.433 3.743 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCOC1CCCC1 ZINC000468630437 339267438 /nfs/dbraw/zinc/26/74/38/339267438.db2.gz HRXNLPCWFKJHAY-SDNWHVSQSA-N 0 3 304.390 3.547 20 5 DHBDHN COCC[C@@H]1CCCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000468692169 339268685 /nfs/dbraw/zinc/26/86/85/339268685.db2.gz ZZEZSZSFDZWVFN-HWYHOQROSA-N 0 3 318.417 3.747 20 5 DHBDHN COC[C@@H]1CCCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000468693239 339268692 /nfs/dbraw/zinc/26/86/92/339268692.db2.gz IJQTULTVCIFYEI-MRXNPFEDSA-N 0 3 320.433 3.967 20 5 DHBDHN CC1(C)[C@H](C(F)(F)F)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000469988409 339307031 /nfs/dbraw/zinc/30/70/31/339307031.db2.gz ARVVJHXAXYJGJU-CYBMUJFWSA-N 0 3 316.323 3.800 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(F)F)CC1 ZINC000470179256 339313155 /nfs/dbraw/zinc/31/31/55/339313155.db2.gz VDXRGLIYNBCEQG-FMIVXFBMSA-N 0 3 310.344 3.975 20 5 DHBDHN CCC[C@H](NCCC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000471786448 339354001 /nfs/dbraw/zinc/35/40/01/339354001.db2.gz JNRDVALOFYMJLR-INIZCTEOSA-N 0 3 308.422 3.967 20 5 DHBDHN CC(C)(C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482699051 339640302 /nfs/dbraw/zinc/64/03/02/339640302.db2.gz YXJXQJZXQZXXHO-UHFFFAOYSA-N 0 3 304.394 3.776 20 5 DHBDHN Cc1cccc(OCCCNCc2ccccc2[N+](=O)[O-])c1C ZINC000486787970 339734190 /nfs/dbraw/zinc/73/41/90/339734190.db2.gz NBLRELWCHNSGFD-UHFFFAOYSA-N 0 3 314.385 3.770 20 5 DHBDHN CC(C)c1ccc(CN(C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000497112393 340020570 /nfs/dbraw/zinc/02/05/70/340020570.db2.gz DZUBLUOGVOSYEI-MAUKXSAKSA-N 0 3 320.433 3.701 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000974 340205072 /nfs/dbraw/zinc/20/50/72/340205072.db2.gz GTVOXVNNVQAJCC-YOEHRIQHSA-N 0 3 311.385 3.842 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC000511123980 340321477 /nfs/dbraw/zinc/32/14/77/340321477.db2.gz JVVUBDKSTMDHJE-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN COc1cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000512229347 340353124 /nfs/dbraw/zinc/35/31/24/340353124.db2.gz YXWAUMGANICXPH-STQMWFEESA-N 0 3 322.405 3.615 20 5 DHBDHN C[C@H]1CSC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859767 340381090 /nfs/dbraw/zinc/38/10/90/340381090.db2.gz DXIZRUCLVDWHME-XHDPSFHLSA-N 0 3 318.398 3.696 20 5 DHBDHN COc1cccc(C2(NC/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512903593 340383404 /nfs/dbraw/zinc/38/34/04/340383404.db2.gz BZQGGUVOGSPYKR-ALCCZGGFSA-N 0 3 324.380 3.896 20 5 DHBDHN Cc1cc2cc(CNCc3ccc([N+](=O)[O-])cc3C)ccc2[nH]1 ZINC000513081026 340392451 /nfs/dbraw/zinc/39/24/51/340392451.db2.gz DPYYNWJSHNVUJH-UHFFFAOYSA-N 0 3 309.369 3.983 20 5 DHBDHN CC(C)CO[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688249 340676474 /nfs/dbraw/zinc/67/64/74/340676474.db2.gz QVHNQQWZCUKGTM-HOTGVXAUSA-N 0 3 306.406 3.524 20 5 DHBDHN COCc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124417869 340799038 /nfs/dbraw/zinc/79/90/38/340799038.db2.gz SGRMWGJODFYJQA-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628870 341051968 /nfs/dbraw/zinc/05/19/68/341051968.db2.gz YBBFWSQHMGUBLI-HEHGZKQESA-N 0 3 315.373 3.645 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704458 341054350 /nfs/dbraw/zinc/05/43/50/341054350.db2.gz HRULFTJPEUCBSI-DOMZBBRYSA-N 0 3 306.406 3.900 20 5 DHBDHN CC1(C)SC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000549265869 341289968 /nfs/dbraw/zinc/28/99/68/341289968.db2.gz UGOUEULJLDONHR-OAHLLOKOSA-N 0 3 318.398 3.838 20 5 DHBDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000247269600 341363011 /nfs/dbraw/zinc/36/30/11/341363011.db2.gz ZWZDASCXZPEYSO-VHSSKADRSA-N 0 3 312.369 3.776 20 5 DHBDHN C[C@@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000248576391 341380331 /nfs/dbraw/zinc/38/03/31/341380331.db2.gz TXXASSPJDMPGFY-MDZLAQPJSA-N 0 3 303.362 3.650 20 5 DHBDHN CC1(C)CC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000565672227 341534626 /nfs/dbraw/zinc/53/46/26/341534626.db2.gz UYUYPJPQKLNKPK-UHFFFAOYSA-N 0 3 317.414 3.997 20 5 DHBDHN COc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000271670756 341624013 /nfs/dbraw/zinc/62/40/13/341624013.db2.gz MZGKBKMHSDRVLX-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000576774252 341862672 /nfs/dbraw/zinc/86/26/72/341862672.db2.gz AALYGHVTBVOGQO-KOMQPUFPSA-N 0 3 300.333 3.770 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[C@@H](F)C2)c1 ZINC000577869640 341945253 /nfs/dbraw/zinc/94/52/53/341945253.db2.gz VHSNSTBYRKANMP-GHMZBOCLSA-N 0 3 318.295 3.567 20 5 DHBDHN CCCCN(CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131855562 520482399 /nfs/dbraw/zinc/48/23/99/520482399.db2.gz VAEIUGYKBCSUEF-GFCCVEGCSA-N 0 3 318.377 3.828 20 5 DHBDHN CCOC1CC(CCNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000188782570 521644659 /nfs/dbraw/zinc/64/46/59/521644659.db2.gz UJSYMQOOIZCWTM-UHFFFAOYSA-N 0 3 312.797 3.543 20 5 DHBDHN CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265853744 521693221 /nfs/dbraw/zinc/69/32/21/521693221.db2.gz ITWIHJJQQVSGNB-NWANDNLSSA-N 0 3 324.446 3.682 20 5 DHBDHN CC[C@@H](C)[C@@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043675 522295278 /nfs/dbraw/zinc/29/52/78/522295278.db2.gz GFJFGXIJEVAANL-VXGBXAGGSA-N 0 3 303.362 3.774 20 5 DHBDHN COCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000124418569 522992105 /nfs/dbraw/zinc/99/21/05/522992105.db2.gz HWUWXGNBMZNBAV-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN COc1ccccc1[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157962170 524813279 /nfs/dbraw/zinc/81/32/79/524813279.db2.gz VQMFHTOIVSNJAK-HNNXBMFYSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184676950 525436984 /nfs/dbraw/zinc/43/69/84/525436984.db2.gz MSTWAKIBRFPCAL-ZDUSSCGKSA-N 0 3 314.385 3.673 20 5 DHBDHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819514 525567253 /nfs/dbraw/zinc/56/72/53/525567253.db2.gz YQJIUDWZZKNLIY-GOEBONIOSA-N 0 3 311.385 3.524 20 5 DHBDHN C[C@H](N[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431663 525616092 /nfs/dbraw/zinc/61/60/92/525616092.db2.gz MQKXFGIEGXTMGB-HOCLYGCPSA-N 0 3 311.385 3.524 20 5 DHBDHN Cc1c([C@H](C)NC[C@@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998981 525917238 /nfs/dbraw/zinc/91/72/38/525917238.db2.gz GXCGCBYXBJBMAY-BLLLJJGKSA-N 0 3 320.414 3.523 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2CCCO2)CC1 ZINC000189249527 526088766 /nfs/dbraw/zinc/08/87/66/526088766.db2.gz VWNSOCZWFPHKEW-KBXCAEBGSA-N 0 3 318.417 3.855 20 5 DHBDHN COCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266217866 1013160915 /nfs/dbraw/zinc/16/09/15/1013160915.db2.gz QKHTVTRAEZZQGQ-ZDUSSCGKSA-N 0 3 300.358 3.592 20 5 DHBDHN C[C@@H]1c2ccc(F)cc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000610003971 1013843124 /nfs/dbraw/zinc/84/31/24/1013843124.db2.gz UZCQUBGDQMGCAO-CYBMUJFWSA-N 0 3 314.360 3.896 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@@H]2CC2(Cl)Cl)c1 ZINC000856807336 1022873418 /nfs/dbraw/zinc/87/34/18/1022873418.db2.gz NLQWZVKNSHWQBG-SECBINFHSA-N 0 3 323.607 3.922 20 5 DHBDHN C[C@@H]1CCC[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083211608 1014000943 /nfs/dbraw/zinc/00/09/43/1014000943.db2.gz DAQCJAZQPZROGH-VXGBXAGGSA-N 0 3 303.362 3.747 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@H](CN2CCCC2)c2ccccc2)s1 ZINC000610245700 1014757090 /nfs/dbraw/zinc/75/70/90/1014757090.db2.gz OANWPZGTLLTWRT-CQSZACIVSA-N 0 3 317.414 3.905 20 5 DHBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000610709511 1014898124 /nfs/dbraw/zinc/89/81/24/1014898124.db2.gz VDWRHFMMYWTTLC-JSGCOSHPSA-N 0 3 317.414 3.731 20 5 DHBDHN CC[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185064740 1015065561 /nfs/dbraw/zinc/06/55/61/1015065561.db2.gz NKPDOBGTTJLZMB-CQSZACIVSA-N 0 3 321.402 3.561 20 5 DHBDHN CC[C@H](C)CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247741761 1015964448 /nfs/dbraw/zinc/96/44/48/1015964448.db2.gz XCSHBYUYNSVHJO-NWDGAFQWSA-N 0 3 318.377 3.684 20 5 DHBDHN CCc1cnccc1[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389261 1012612107 /nfs/dbraw/zinc/61/21/07/1012612107.db2.gz SQDCPMVXYBDZQB-YVEFUNNKSA-N 0 3 311.385 3.890 20 5 DHBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1C ZINC000515540857 1012662743 /nfs/dbraw/zinc/66/27/43/1012662743.db2.gz AQYZDFDRXYHRRJ-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000342833979 1017534826 /nfs/dbraw/zinc/53/48/26/1017534826.db2.gz DKNLQVHWUFJVRE-SFHVURJKSA-N 0 3 318.417 3.721 20 5 DHBDHN COc1cc(CN(CC2CCC2)C(C)C)c([N+](=O)[O-])cc1F ZINC000444772563 1017671547 /nfs/dbraw/zinc/67/15/47/1017671547.db2.gz OCUDCNHCMPGEQF-UHFFFAOYSA-N 0 3 310.369 3.753 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2ccc3[nH]ccc3c2)c(F)c1 ZINC000441224750 1018355563 /nfs/dbraw/zinc/35/55/63/1018355563.db2.gz MAZGBADRIPACOA-UHFFFAOYSA-N 0 3 313.332 3.548 20 5 DHBDHN Cc1ccc(CNCc2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000922317221 1019997821 /nfs/dbraw/zinc/99/78/21/1019997821.db2.gz WLDLJEHXGCPCPR-ZDUSSCGKSA-N 0 3 312.369 3.516 20 5 DHBDHN CN(CC[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765356 1020068623 /nfs/dbraw/zinc/06/86/23/1020068623.db2.gz INLOPDDTBCQJNY-UONOGXRCSA-N 0 3 316.323 3.550 20 5 DHBDHN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CCc2ccccc21 ZINC001171740770 1032879010 /nfs/dbraw/zinc/87/90/10/1032879010.db2.gz GXCJQCVCXWIRDU-GFCCVEGCSA-N 0 3 302.399 3.818 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000154912602 1020163539 /nfs/dbraw/zinc/16/35/39/1020163539.db2.gz YPVZVBHOMSSJLO-KRWDZBQOSA-N 0 3 311.385 3.671 20 5 DHBDHN Cc1c([C@H](C)NCCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000156947907 1020386690 /nfs/dbraw/zinc/38/66/90/1020386690.db2.gz IEXVTFXOCSZIJA-HNNXBMFYSA-N 0 3 314.385 3.771 20 5 DHBDHN CCOCCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179955245 1020638631 /nfs/dbraw/zinc/63/86/31/1020638631.db2.gz ZTQDOXNGTDNFIK-GOSISDBHSA-N 0 3 314.385 3.700 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000170688870 1021002141 /nfs/dbraw/zinc/00/21/41/1021002141.db2.gz RHNORRUFCPBXTA-PBHICJAKSA-N 0 3 311.385 3.842 20 5 DHBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000742391298 1021111400 /nfs/dbraw/zinc/11/14/00/1021111400.db2.gz GVPKIWFELPTOKJ-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN NCc1nn(-c2cc3ccccc3c([N+](=O)[O-])c2)c2ccccc12 ZINC001167700946 1021137768 /nfs/dbraw/zinc/13/77/68/1021137768.db2.gz XSTKYHZLSMPYMS-UHFFFAOYSA-N 0 3 318.336 3.546 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700780 1021147979 /nfs/dbraw/zinc/14/79/79/1021147979.db2.gz MBMRDASMYMHXLX-QWHCGFSZSA-N 0 3 322.405 3.674 20 5 DHBDHN COc1ccc(CN[C@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000609287677 1021678450 /nfs/dbraw/zinc/67/84/50/1021678450.db2.gz NDGMRNWANZTBRZ-INIZCTEOSA-N 0 3 318.398 3.906 20 5 DHBDHN CC(C)(NCCSc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000930555651 1022146400 /nfs/dbraw/zinc/14/64/00/1022146400.db2.gz WGIQBNPPWRHYLG-UHFFFAOYSA-N 0 3 317.414 3.607 20 5 DHBDHN C[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986640 1022216822 /nfs/dbraw/zinc/21/68/22/1022216822.db2.gz XZVSFMLIANPQKY-AXFHLTTASA-N 0 3 300.761 3.575 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001169048430 1022228440 /nfs/dbraw/zinc/22/84/40/1022228440.db2.gz UZJIYWJFTTUSLJ-PVXIVEMSSA-N 0 3 310.344 3.547 20 5 DHBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169050178 1022231490 /nfs/dbraw/zinc/23/14/90/1022231490.db2.gz ZDQDLMOLRKYMBW-NORZTCDRSA-N 0 3 310.344 3.547 20 5 DHBDHN Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417302485 1022667942 /nfs/dbraw/zinc/66/79/42/1022667942.db2.gz BMZXGHSRNQJQHN-GOSISDBHSA-N 0 3 311.385 3.856 20 5 DHBDHN C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304020 1022689588 /nfs/dbraw/zinc/68/95/88/1022689588.db2.gz JEEDWCOFJKXKCS-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN CCn1ccc(CN(C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000616737762 1022763359 /nfs/dbraw/zinc/76/33/59/1022763359.db2.gz SBNXPDRQUAPRIU-XNTDXEJSSA-N 0 3 313.401 3.952 20 5 DHBDHN CC[C@H]1CCCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000150749209 1023151182 /nfs/dbraw/zinc/15/11/82/1023151182.db2.gz APYVACLCNFQHEG-HNNXBMFYSA-N 0 3 320.389 3.616 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3ccc(F)cc32)c1 ZINC000093115890 1023448981 /nfs/dbraw/zinc/44/89/81/1023448981.db2.gz MULFZGUFKRAQEB-KRWDZBQOSA-N 0 3 300.333 3.901 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCCc2c[nH]c3ccccc23)cs1 ZINC000107714357 1023491998 /nfs/dbraw/zinc/49/19/98/1023491998.db2.gz DLHDUKKHKYCTKZ-UHFFFAOYSA-N 0 3 315.398 3.860 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OC(C)C)CC1 ZINC000538708985 1033139458 /nfs/dbraw/zinc/13/94/58/1033139458.db2.gz IAPIGAXBBQQXSM-AWEZNQCLSA-N 0 3 306.406 3.854 20 5 DHBDHN C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000093503340 1023761591 /nfs/dbraw/zinc/76/15/91/1023761591.db2.gz BXYQVDCFUNIKSB-TXEJJXNPSA-N 0 3 317.414 3.806 20 5 DHBDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640596 1023917424 /nfs/dbraw/zinc/91/74/24/1023917424.db2.gz SULRRRGTSJQFRG-SJKOYZFVSA-N 0 3 311.385 3.824 20 5 DHBDHN C[C@H](N[C@@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637458 1023918134 /nfs/dbraw/zinc/91/81/34/1023918134.db2.gz CGBKBQIBNDLUFE-MGPLVRAMSA-N 0 3 315.348 3.654 20 5 DHBDHN C[C@H](NC1(c2ccccc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788707551 1023924420 /nfs/dbraw/zinc/92/44/20/1023924420.db2.gz ZHKIIDPHVMUFRL-ZDUSSCGKSA-N 0 3 311.385 3.907 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2sccc2C)cc1[N+](=O)[O-] ZINC000268810475 1024165928 /nfs/dbraw/zinc/16/59/28/1024165928.db2.gz IQOSXNFHYGVPKH-NSHDSACASA-N 0 3 306.387 3.824 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000792874675 1024819602 /nfs/dbraw/zinc/81/96/02/1024819602.db2.gz WWZBBGWNZMILPP-UHFFFAOYSA-N 0 3 319.361 3.802 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000792881644 1024819898 /nfs/dbraw/zinc/81/98/98/1024819898.db2.gz NBLMWWQAYRZFJD-UHFFFAOYSA-N 0 3 319.361 3.515 20 5 DHBDHN CCC[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000279733723 1025203226 /nfs/dbraw/zinc/20/32/26/1025203226.db2.gz WIWXFCVBVKTCGQ-GOEBONIOSA-N 0 3 320.414 3.648 20 5 DHBDHN C[C@@H](CNCc1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897469681 1025416275 /nfs/dbraw/zinc/41/62/75/1025416275.db2.gz OOEIFMGOMWPKJJ-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886014613 1025438165 /nfs/dbraw/zinc/43/81/65/1025438165.db2.gz LPEMKDSBRRWEEY-DOMZBBRYSA-N 0 3 315.348 3.507 20 5 DHBDHN Cc1cc(N2C[C@H](N3CCCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000804811808 1025486032 /nfs/dbraw/zinc/48/60/32/1025486032.db2.gz ABGRKOQAOAVVEG-QWHCGFSZSA-N 0 3 323.824 3.620 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000886192045 1025553782 /nfs/dbraw/zinc/55/37/82/1025553782.db2.gz FBNYZWZFXSNFOK-BCDXTJNWSA-N 0 3 323.396 3.900 20 5 DHBDHN CN(Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCCO1 ZINC000076299935 1025867406 /nfs/dbraw/zinc/86/74/06/1025867406.db2.gz LVIPSDOGJWDICK-INIZCTEOSA-N 0 3 323.392 3.557 20 5 DHBDHN C[C@@H]1CSC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017405 1026666256 /nfs/dbraw/zinc/66/62/56/1026666256.db2.gz XAVVRTNYIUJUMK-RDDDGLTNSA-N 0 3 321.229 3.743 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCCS1 ZINC000811483440 1027008371 /nfs/dbraw/zinc/00/83/71/1027008371.db2.gz JKXJPOQYSZGYGV-SNVBAGLBSA-N 0 3 321.229 3.887 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCCSC1 ZINC000811484186 1027009354 /nfs/dbraw/zinc/00/93/54/1027009354.db2.gz WNGUMNMWDODHBH-SNVBAGLBSA-N 0 3 321.229 3.887 20 5 DHBDHN COc1cccc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933491 1027344431 /nfs/dbraw/zinc/34/44/31/1027344431.db2.gz GWOYYFLQUIIXRX-YVEFUNNKSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1noc(CN2CCC[C@H]2[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274822 1027437657 /nfs/dbraw/zinc/43/76/57/1027437657.db2.gz KQUFMIWVWIPPCU-DOMZBBRYSA-N 0 3 315.373 3.659 20 5 DHBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812848635 1027445068 /nfs/dbraw/zinc/44/50/68/1027445068.db2.gz LKJXPVPUZPHMHW-KDOFPFPSSA-N 0 3 314.385 3.539 20 5 DHBDHN CC(C)[C@@H]1C[C@@H](CC(=O)OCC(C)[N+](=O)[O-])c2ccccc21 ZINC000813105989 1027520765 /nfs/dbraw/zinc/52/07/65/1027520765.db2.gz XEBBTCOCBVYNQG-XEZPLFJOSA-N 0 3 305.374 3.512 20 5 DHBDHN Cc1ccc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])c(F)c2)cc1 ZINC000813110524 1027535231 /nfs/dbraw/zinc/53/52/31/1027535231.db2.gz CNACEWIOMGKKGA-GFCCVEGCSA-N 0 3 317.316 3.623 20 5 DHBDHN CC(COC(=O)c1ccccc1Sc1ccccc1)[N+](=O)[O-] ZINC000813113086 1027536244 /nfs/dbraw/zinc/53/62/44/1027536244.db2.gz ANQNVHMPSZDWQP-GFCCVEGCSA-N 0 3 317.366 3.660 20 5 DHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)ccc1F ZINC000449128628 1028380214 /nfs/dbraw/zinc/38/02/14/1028380214.db2.gz SVKSUXKFISQFDT-NSHDSACASA-N 0 3 306.312 3.594 20 5 DHBDHN Cc1cccc2c1CC[C@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591485 1028559456 /nfs/dbraw/zinc/55/94/56/1028559456.db2.gz ITCJTXOAGWVLKV-SJKOYZFVSA-N 0 3 311.385 3.824 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CSc3ccccc32)cs1 ZINC000449355921 1028589623 /nfs/dbraw/zinc/58/96/23/1028589623.db2.gz AHTCLZLZWSLNSB-LLVKDONJSA-N 0 3 306.412 3.635 20 5 DHBDHN CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449507819 1028730512 /nfs/dbraw/zinc/73/05/12/1028730512.db2.gz UIEFCTHZTCGGST-CXAGYDPISA-N 0 3 306.406 3.575 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCOCC3)s2)cc1 ZINC000374328524 1029293376 /nfs/dbraw/zinc/29/33/76/1029293376.db2.gz ZWKATXXOYZDDBF-UHFFFAOYSA-N 0 3 318.398 3.546 20 5 DHBDHN C[C@H]1C[C@H](C(F)(F)F)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412480 1029870136 /nfs/dbraw/zinc/87/01/36/1029870136.db2.gz WRDJUKOEVREVJV-WCQYABFASA-N 0 3 316.323 3.800 20 5 DHBDHN Cc1c(CN2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451965970 1030070864 /nfs/dbraw/zinc/07/08/64/1030070864.db2.gz NURPOLVXXQCXLV-INIZCTEOSA-N 0 3 306.431 3.622 20 5 DHBDHN C[C@H](N[C@@H](C)C1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924799503 1030193607 /nfs/dbraw/zinc/19/36/07/1030193607.db2.gz SZNSHFFHYNCYBA-UWVGGRQHSA-N 0 3 313.195 3.561 20 5 DHBDHN COc1ccc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292236 1030889723 /nfs/dbraw/zinc/88/97/23/1030889723.db2.gz DPBFHBJDNSHZFQ-CXAGYDPISA-N 0 3 304.390 3.616 20 5 DHBDHN COc1cc(CN2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559002 1031027753 /nfs/dbraw/zinc/02/77/53/1031027753.db2.gz OYNCHYPWQOEQOH-GUYCJALGSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1c([C@@H](C)NC2([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165187 1031127010 /nfs/dbraw/zinc/12/70/10/1031127010.db2.gz ZYSIXFYOAONXOA-CJNGLKHVSA-N 0 3 304.390 3.656 20 5 DHBDHN COc1cc(C[NH2+]CC[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000360052925 1031258729 /nfs/dbraw/zinc/25/87/29/1031258729.db2.gz KWLKVQMQTRCOOA-QWHCGFSZSA-N 0 3 322.405 3.615 20 5 DHBDHN C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034978 1031418893 /nfs/dbraw/zinc/41/88/93/1031418893.db2.gz SUXKGMRBDMMZBI-RYUDHWBXSA-N 0 3 318.348 3.721 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034976 1031418953 /nfs/dbraw/zinc/41/89/53/1031418953.db2.gz SUXKGMRBDMMZBI-NEPJUHHUSA-N 0 3 318.348 3.721 20 5 DHBDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037718 1031421107 /nfs/dbraw/zinc/42/11/07/1031421107.db2.gz FNZGXYRMUHSJMK-DPDCMNJDSA-N 0 3 322.380 3.588 20 5 DHBDHN C[C@H](NCC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069893 1031464905 /nfs/dbraw/zinc/46/49/05/1031464905.db2.gz RJLCCYRMTVBVRD-CRWXNKLISA-N 0 3 324.396 3.978 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCOC1(C)C ZINC000872076124 1031471553 /nfs/dbraw/zinc/47/15/53/1031471553.db2.gz XZNSHYNXLZKEDW-HZMBPMFUSA-N 0 3 310.419 3.535 20 5 DHBDHN CC[C@@H]1OCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872080129 1031476878 /nfs/dbraw/zinc/47/68/78/1031476878.db2.gz STWGFWSDIWNYCA-HONMWMINSA-N 0 3 310.419 3.535 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872260061 1031564736 /nfs/dbraw/zinc/56/47/36/1031564736.db2.gz HKNOMJRGIBXRKB-MRXNPFEDSA-N 0 3 304.390 3.518 20 5 DHBDHN CC[C@H](CSC)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124329538 1031685322 /nfs/dbraw/zinc/68/53/22/1031685322.db2.gz PBUPSEWFJSMJNQ-LLVKDONJSA-N 0 3 302.827 3.822 20 5 DHBDHN CC([C@H](OC(=O)CC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872366 1031748771 /nfs/dbraw/zinc/74/87/71/1031748771.db2.gz HNROVUWPWFLXNW-ZBEGNZNMSA-N 0 3 309.337 3.656 20 5 DHBDHN Cc1cc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845879400 1031752127 /nfs/dbraw/zinc/75/21/27/1031752127.db2.gz USIXOPWFFCRJPF-ABAIWWIYSA-N 0 3 321.304 3.599 20 5 DHBDHN C[C@H]1CCCCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956569 1032040598 /nfs/dbraw/zinc/04/05/98/1032040598.db2.gz JLGVBBDWHBLOPM-AWEZNQCLSA-N 0 3 314.389 3.680 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000877544422 1033347041 /nfs/dbraw/zinc/34/70/41/1033347041.db2.gz WWOHYJLEZJXGGX-LSDHHAIUSA-N 0 3 310.344 3.689 20 5 DHBDHN CS[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877700753 1033415658 /nfs/dbraw/zinc/41/56/58/1033415658.db2.gz UXTYIPJULYZFQG-XYPYZODXSA-N 0 3 320.336 3.597 20 5 DHBDHN CC[C@H](C[C@H](C)O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779140 1033444702 /nfs/dbraw/zinc/44/47/02/1033444702.db2.gz ZKOONCWRTISTJK-GZMMTYOYSA-N 0 3 321.204 3.541 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2[C@H](C)CCC[C@@H]2C)c1F ZINC001173181062 1033581788 /nfs/dbraw/zinc/58/17/88/1033581788.db2.gz BGMKATIQIJKQHN-FRRDWIJNSA-N 0 3 324.396 3.936 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC3(CCC3)C2)c1F ZINC001173195168 1033586681 /nfs/dbraw/zinc/58/66/81/1033586681.db2.gz CNVGUAIOLNCWTJ-LBPRGKRZSA-N 0 3 322.380 3.550 20 5 DHBDHN Cc1nc([C@H](C)N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213114 1033614302 /nfs/dbraw/zinc/61/43/02/1033614302.db2.gz FJYIYXAYKZMLIS-QWRGUYRKSA-N 0 3 305.403 3.642 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CC1(C)C ZINC001174908272 1034674581 /nfs/dbraw/zinc/67/45/81/1034674581.db2.gz YAXMDFLYEVTMFH-AWEZNQCLSA-N 0 3 306.406 3.860 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(Cc2cccc3n[nH]cc32)C2CC2)cc1 ZINC000600111714 1034744413 /nfs/dbraw/zinc/74/44/13/1034744413.db2.gz LBPRADKBHLMSJV-UHFFFAOYSA-N 0 3 322.368 3.636 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](OCCC(C)C)C1 ZINC000541772684 1036429114 /nfs/dbraw/zinc/42/91/14/1036429114.db2.gz HYSVMFGAKOQENN-QGZVFWFLSA-N 0 3 306.406 3.540 20 5 DHBDHN C[C@@H](CCc1ccco1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368209 1037085185 /nfs/dbraw/zinc/08/51/85/1037085185.db2.gz FCDBCUOPFMEGCZ-NSHDSACASA-N 0 3 308.765 3.952 20 5 DHBDHN CC(C)(C)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863491 1037129625 /nfs/dbraw/zinc/12/96/25/1037129625.db2.gz NRNKXDOOEUULSZ-AWEZNQCLSA-N 0 3 321.377 3.904 20 5 DHBDHN C[C@@H]1CCC[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774906715 1037198924 /nfs/dbraw/zinc/19/89/24/1037198924.db2.gz YEAXUJGGECHDKG-NWDGAFQWSA-N 0 3 307.350 3.514 20 5 DHBDHN Cc1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000597227000 1037246645 /nfs/dbraw/zinc/24/66/45/1037246645.db2.gz ZDNIFMXDCZRNFH-SFHVURJKSA-N 0 3 318.417 3.684 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCOC2CCCCC2)cc1Cl ZINC000761519513 1037345884 /nfs/dbraw/zinc/34/58/84/1037345884.db2.gz ALRUUBPASQOKIM-UHFFFAOYSA-N 0 3 312.797 3.687 20 5 DHBDHN CCN(CC)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000029622862 1037831870 /nfs/dbraw/zinc/83/18/70/1037831870.db2.gz FLMRKSLIFHNCBZ-CQSZACIVSA-N 0 3 320.418 3.546 20 5 DHBDHN CCOc1cc(CN2CCC3(CCC3)CC2)ccc1[N+](=O)[O-] ZINC000586783261 1037966483 /nfs/dbraw/zinc/96/64/83/1037966483.db2.gz SMXPSPAPPCWVFV-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(C(F)(F)F)CC1 ZINC000571224924 1038112969 /nfs/dbraw/zinc/11/29/69/1038112969.db2.gz OIDPPQXRFGVQJJ-LLVKDONJSA-N 0 3 300.280 3.514 20 5 DHBDHN COC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000775321136 1038223446 /nfs/dbraw/zinc/22/34/46/1038223446.db2.gz PCHSDSIDCNPTHA-UHFFFAOYSA-N 0 3 312.797 3.687 20 5 DHBDHN Cc1ncccc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599072779 1039029877 /nfs/dbraw/zinc/02/98/77/1039029877.db2.gz HVUWGAOFSNDINW-GOSISDBHSA-N 0 3 311.385 3.856 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](OC(C)C)C1 ZINC000593053777 1039377781 /nfs/dbraw/zinc/37/77/81/1039377781.db2.gz MGVLPUWRFBJBQZ-HOCLYGCPSA-N 0 3 306.406 3.854 20 5 DHBDHN CCOc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594502095 1039804664 /nfs/dbraw/zinc/80/46/64/1039804664.db2.gz DOBBRUOSKXVYNJ-KRWDZBQOSA-N 0 3 312.369 3.771 20 5 DHBDHN CS[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698567 1039959322 /nfs/dbraw/zinc/95/93/22/1039959322.db2.gz DUJLLAJBSXTFMS-PWSUYJOCSA-N 0 3 300.811 3.622 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCCS1 ZINC000595032584 1040039972 /nfs/dbraw/zinc/03/99/72/1040039972.db2.gz NLYHTVKKTNTOOM-YPMHNXCESA-N 0 3 310.419 3.540 20 5 DHBDHN Cc1noc(CN2CCC[C@H]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000595297400 1040094563 /nfs/dbraw/zinc/09/45/63/1040094563.db2.gz SQLBUFZIDSSHLO-AWEZNQCLSA-N 0 3 307.394 3.826 20 5 DHBDHN CC(C)(C)N1CC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596308263 1040378207 /nfs/dbraw/zinc/37/82/07/1040378207.db2.gz JBNWIACRTBAJEF-LLVKDONJSA-N 0 3 313.348 3.817 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CC1=CCSC1 ZINC000597246516 1040709683 /nfs/dbraw/zinc/70/96/83/1040709683.db2.gz VSNMXUZLRFOVJL-JYRVWZFOSA-N 0 3 304.415 3.603 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000602718614 1041175831 /nfs/dbraw/zinc/17/58/31/1041175831.db2.gz IHKLNKHUCSTHSL-PJXYFTJBSA-N 0 3 300.280 3.502 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000602718617 1041176201 /nfs/dbraw/zinc/17/62/01/1041176201.db2.gz IHKLNKHUCSTHSL-PTEHBNRSSA-N 0 3 300.280 3.502 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728401 185311743 /nfs/dbraw/zinc/31/17/43/185311743.db2.gz KJGHTGSQDPRQCX-JQWIXIFHSA-N 0 3 317.389 3.962 20 5 DHBDHN COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Cl ZINC000005463413 181246172 /nfs/dbraw/zinc/24/61/72/181246172.db2.gz SEHJIWADJJABMY-UHFFFAOYSA-N 0 3 320.732 3.818 20 5 DHBDHN C[C@@H]1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123069 130090847 /nfs/dbraw/zinc/09/08/47/130090847.db2.gz ZZMXQHJRDSBMOV-VXGBXAGGSA-N 0 3 312.797 3.543 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CCOCC2)CC1 ZINC000285099470 131137435 /nfs/dbraw/zinc/13/74/35/131137435.db2.gz NBKZAUVBPCTOJY-HWKANZROSA-N 0 3 316.401 3.501 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000288564371 131330843 /nfs/dbraw/zinc/33/08/43/131330843.db2.gz MOEBWYFYTYLHSR-GFCCVEGCSA-N 0 3 318.760 3.514 20 5 DHBDHN COC(C)(C)[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340494925 131887826 /nfs/dbraw/zinc/88/78/26/131887826.db2.gz CCEZXVJJNVLCFC-SECBINFHSA-N 0 3 320.311 3.517 20 5 DHBDHN CC1(C)CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000565560049 331724576 /nfs/dbraw/zinc/72/45/76/331724576.db2.gz CBOTZMBICIWVDQ-CQSZACIVSA-N 0 3 317.414 3.997 20 5 DHBDHN Cc1cccc(OCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000537971960 332252964 /nfs/dbraw/zinc/25/29/64/332252964.db2.gz OKIFBGVBGNNFPB-HNNXBMFYSA-N 0 3 314.385 3.941 20 5 DHBDHN COc1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000559431927 332258523 /nfs/dbraw/zinc/25/85/23/332258523.db2.gz MHKLYXURHBLFSG-KGLIPLIRSA-N 0 3 304.390 3.614 20 5 DHBDHN CCO[C@@H]1C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330211 333034213 /nfs/dbraw/zinc/03/42/13/333034213.db2.gz ZDQYTAUIYMTQTC-DZGCQCFKSA-N 0 3 318.398 3.590 20 5 DHBDHN Cc1c([C@H](C)NCC(C)(C)OCC2CC2)cccc1[N+](=O)[O-] ZINC000414253798 333926301 /nfs/dbraw/zinc/92/63/01/333926301.db2.gz DKYXNBONJTZEAS-ZDUSSCGKSA-N 0 3 306.406 3.759 20 5 DHBDHN CO[C@@](C)([C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234312 333927713 /nfs/dbraw/zinc/92/77/13/333927713.db2.gz IYFKXLDAYTZKBL-DCGLDWPTSA-N 0 3 306.406 3.757 20 5 DHBDHN CCOC1CC(CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000276619778 334083859 /nfs/dbraw/zinc/08/38/59/334083859.db2.gz DWTMIHQAQMEZML-UHFFFAOYSA-N 0 3 312.797 3.543 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222972 334171820 /nfs/dbraw/zinc/17/18/20/334171820.db2.gz IDODAXBMBMFBIS-IYOUNJFTSA-N 0 3 314.385 3.676 20 5 DHBDHN CC[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000343604069 335176386 /nfs/dbraw/zinc/17/63/86/335176386.db2.gz IDFYHPGKIVEHHK-ZDUSSCGKSA-N 0 3 318.377 3.559 20 5 DHBDHN CCC[C@@H](NCCC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000471786449 334266149 /nfs/dbraw/zinc/26/61/49/334266149.db2.gz JNRDVALOFYMJLR-MRXNPFEDSA-N 0 3 308.422 3.967 20 5 DHBDHN CC[C@H]1C[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841855 334339492 /nfs/dbraw/zinc/33/94/92/334339492.db2.gz GAINNTTUHMWVAK-WFASDCNBSA-N 0 3 315.373 3.870 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCc1nccs1)CCCC2 ZINC000417348878 334706320 /nfs/dbraw/zinc/70/63/20/334706320.db2.gz ZJYVEUNZQZVCAD-HNNXBMFYSA-N 0 3 317.414 3.651 20 5 DHBDHN C[C@@H](N[C@@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374318 334765335 /nfs/dbraw/zinc/76/53/35/334765335.db2.gz XZFGPYRRTAZRPP-CZUORRHYSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@@H]1CC[C@@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377067 334765513 /nfs/dbraw/zinc/76/55/13/334765513.db2.gz RPPJLKLEHUESKY-PVUWLOKVSA-N 0 3 304.390 3.519 20 5 DHBDHN CC[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000344099922 335212754 /nfs/dbraw/zinc/21/27/54/335212754.db2.gz ZGYDYGBAFPNJDJ-MRXNPFEDSA-N 0 3 314.385 3.887 20 5 DHBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000344704566 335273880 /nfs/dbraw/zinc/27/38/80/335273880.db2.gz VIVMDGASRCKDOI-XMZIXOGTSA-N 0 3 318.398 3.699 20 5 DHBDHN CC(C)c1ccc(CNCC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000345715948 335345456 /nfs/dbraw/zinc/34/54/56/335345456.db2.gz WOVLKQZUDOCVTH-KRWDZBQOSA-N 0 3 320.433 3.605 20 5 DHBDHN Cc1c([C@@H](C)N[C@@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550340 335528277 /nfs/dbraw/zinc/52/82/77/335528277.db2.gz BYNUAKMSJMOXPJ-ZIAGYGMSSA-N 0 3 308.422 3.741 20 5 DHBDHN Cc1ccc(CC[C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000350258935 335740456 /nfs/dbraw/zinc/74/04/56/335740456.db2.gz XLPFRBGVOHDWBU-LLVKDONJSA-N 0 3 306.337 3.746 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@](C)(O)C1CCCCC1 ZINC000520303618 335960546 /nfs/dbraw/zinc/96/05/46/335960546.db2.gz JZFPPBBNRWVTKZ-KSSFIOAISA-N 0 3 320.433 3.885 20 5 DHBDHN COCC[C@H]1CCCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000332233068 336164175 /nfs/dbraw/zinc/16/41/75/336164175.db2.gz FNTUOAGIQOZEJB-OAHLLOKOSA-N 0 3 306.406 3.542 20 5 DHBDHN COCC[C@@H]1CCCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341291 336169261 /nfs/dbraw/zinc/16/92/61/336169261.db2.gz QWOFVUCYDRVDDJ-GJZGRUSLSA-N 0 3 306.406 3.794 20 5 DHBDHN C[C@@H](NCc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000194375042 338516544 /nfs/dbraw/zinc/51/65/44/338516544.db2.gz BVRJPWJJJPYFMF-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN CCc1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000352737673 336233036 /nfs/dbraw/zinc/23/30/36/336233036.db2.gz KZTZUYGUNGFRNM-UHFFFAOYSA-N 0 3 319.792 3.538 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522600 336252485 /nfs/dbraw/zinc/25/24/85/336252485.db2.gz KTTWYGOMISWTJH-RRQGHBQHSA-N 0 3 318.417 3.902 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCc1ccccc1O)CCC2 ZINC000192801530 336264580 /nfs/dbraw/zinc/26/45/80/336264580.db2.gz LAIPTEYBOZFTKX-KRWDZBQOSA-N 0 3 312.369 3.510 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000301183405 336293714 /nfs/dbraw/zinc/29/37/14/336293714.db2.gz IWMKDWVZVCPMOS-NSHDSACASA-N 0 3 309.797 3.677 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301446487 336307312 /nfs/dbraw/zinc/30/73/12/336307312.db2.gz QAEJNJZDYLVYGF-INIZCTEOSA-N 0 3 315.373 3.745 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353105656 336402603 /nfs/dbraw/zinc/40/26/03/336402603.db2.gz BMPYQRDENHLBCY-LBPRGKRZSA-N 0 3 310.357 3.630 20 5 DHBDHN CC[C@H](NCC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353947198 336450652 /nfs/dbraw/zinc/45/06/52/336450652.db2.gz LFAANEYTKNTPJB-LBPRGKRZSA-N 0 3 302.296 3.978 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239253 337049167 /nfs/dbraw/zinc/04/91/67/337049167.db2.gz MGISCYHPZNYCJZ-HOTGVXAUSA-N 0 3 318.417 3.577 20 5 DHBDHN CCc1cnc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000178660127 337165794 /nfs/dbraw/zinc/16/57/94/337165794.db2.gz PFXJHGUSPMVJCC-LLVKDONJSA-N 0 3 305.403 3.507 20 5 DHBDHN COCCC1(CNCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000185225385 337203391 /nfs/dbraw/zinc/20/33/91/337203391.db2.gz ZJRMMIMYKNDZSN-UHFFFAOYSA-N 0 3 312.435 3.733 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303887 337255814 /nfs/dbraw/zinc/25/58/14/337255814.db2.gz NCPGXAHHPSYLRK-CJNGLKHVSA-N 0 3 312.369 3.558 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](c1cccnc1)C1CC1 ZINC000514679919 337389435 /nfs/dbraw/zinc/38/94/35/337389435.db2.gz RCYRJBPBKRQNRD-WMZOPIPTSA-N 0 3 309.369 3.718 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN(CCC(F)(F)F)CC2CC2)cc1 ZINC000084138621 338000227 /nfs/dbraw/zinc/00/02/27/338000227.db2.gz ZXCXJWLMTIDSFD-UHFFFAOYSA-N 0 3 316.323 3.802 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H]4CCC[C@H]43)co2)cc1 ZINC000426473121 338033145 /nfs/dbraw/zinc/03/31/45/338033145.db2.gz QNAQDRQHPIIIJQ-BLLLJJGKSA-N 0 3 313.357 3.624 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC23CCCC3)c1 ZINC000428553636 338056161 /nfs/dbraw/zinc/05/61/61/338056161.db2.gz YDLWAZNTDDSROR-CYBMUJFWSA-N 0 3 312.316 3.619 20 5 DHBDHN CO[C@@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429271093 338075403 /nfs/dbraw/zinc/07/54/03/338075403.db2.gz GJOWRRXZYKNFJH-KRWDZBQOSA-N 0 3 314.385 3.807 20 5 DHBDHN C[C@H]1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583807 338085240 /nfs/dbraw/zinc/08/52/40/338085240.db2.gz BWBKOAWUTVGRNN-BLLLJJGKSA-N 0 3 315.373 3.870 20 5 DHBDHN CCS[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429678620 338087045 /nfs/dbraw/zinc/08/70/45/338087045.db2.gz GBBJSISCRJUZEY-HOCLYGCPSA-N 0 3 324.446 3.757 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430093860 338096089 /nfs/dbraw/zinc/09/60/89/338096089.db2.gz HKXKUCQKYQXLEY-VGQMVEDTSA-N 0 3 322.355 3.975 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CC(F)(F)F)C(C)C ZINC000430196146 338100822 /nfs/dbraw/zinc/10/08/22/338100822.db2.gz QEBUQCWTOXOPHN-GFCCVEGCSA-N 0 3 320.311 3.670 20 5 DHBDHN CCN(CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430224011 338102001 /nfs/dbraw/zinc/10/20/01/338102001.db2.gz XOJKVTHQZRXLEC-UHFFFAOYSA-N 0 3 320.414 3.730 20 5 DHBDHN CC(C)(C)OC1CC(CCNCc2csc([N+](=O)[O-])c2)C1 ZINC000432248362 338150567 /nfs/dbraw/zinc/15/05/67/338150567.db2.gz YXGWYLUGJHCGMN-UHFFFAOYSA-N 0 3 312.435 3.730 20 5 DHBDHN CC1(C)CC[C@@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073416 338180292 /nfs/dbraw/zinc/18/02/92/338180292.db2.gz GEMOYLKVBPEDOD-BBRMVZONSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)C[C@H](NCC2(O)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433178568 338184278 /nfs/dbraw/zinc/18/42/78/338184278.db2.gz WQWPMFBWUYODGP-INIZCTEOSA-N 0 3 318.417 3.602 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000435731028 338246671 /nfs/dbraw/zinc/24/66/71/338246671.db2.gz HOJAHPRHUDCQRP-KOMQPUFPSA-N 0 3 300.333 3.770 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1Cc3ccccc3O1)CCC2 ZINC000447528638 338554340 /nfs/dbraw/zinc/55/43/40/338554340.db2.gz JHZSGFQCFCZOOG-SJLPKXTDSA-N 0 3 324.380 3.566 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC1CCC(OC2CCCC2)CC1 ZINC000449087695 338592228 /nfs/dbraw/zinc/59/22/28/338592228.db2.gz GMLRCFSTSZHHLI-UHFFFAOYSA-N 0 3 318.417 3.955 20 5 DHBDHN COc1cc(CNC2(C3CCC3)CCC2)c([N+](=O)[O-])cc1F ZINC000459749612 339046013 /nfs/dbraw/zinc/04/60/13/339046013.db2.gz GMUUCQZWNNGXBA-UHFFFAOYSA-N 0 3 308.353 3.555 20 5 DHBDHN C[C@H](CN(C)[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786110 339048451 /nfs/dbraw/zinc/04/84/51/339048451.db2.gz BBSVJXBEKNQNPX-CHWSQXEVSA-N 0 3 322.405 3.565 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000464096395 339134310 /nfs/dbraw/zinc/13/43/10/339134310.db2.gz YWPMWDCRBHHLPI-JKSUJKDBSA-N 0 3 306.406 3.585 20 5 DHBDHN COc1cc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464678516 339148434 /nfs/dbraw/zinc/14/84/34/339148434.db2.gz PMWBRAYMBBPFNP-XUJVJEKNSA-N 0 3 322.380 3.896 20 5 DHBDHN C[C@@H](NC[C@H](C)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480626656 339580391 /nfs/dbraw/zinc/58/03/91/339580391.db2.gz QQGWJGGYXPYFBB-LSDHHAIUSA-N 0 3 313.401 3.770 20 5 DHBDHN COc1cc(CN[C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481210026 339598440 /nfs/dbraw/zinc/59/84/40/339598440.db2.gz VXOFXYMJLOWERY-JTNHKYCSSA-N 0 3 310.369 3.657 20 5 DHBDHN C[C@@H](NC[C@H](C)Oc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000483624633 339669852 /nfs/dbraw/zinc/66/98/52/339669852.db2.gz LMMZZFDXOZFMTK-QWHCGFSZSA-N 0 3 318.348 3.852 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488431080 339781782 /nfs/dbraw/zinc/78/17/82/339781782.db2.gz KIDMOPAISYBWTD-WFASDCNBSA-N 0 3 324.446 3.613 20 5 DHBDHN COC(C)(C)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493245660 339920868 /nfs/dbraw/zinc/92/08/68/339920868.db2.gz DZHXJGGYTXNQAU-KRWDZBQOSA-N 0 3 314.385 3.699 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000495421605 339983905 /nfs/dbraw/zinc/98/39/05/339983905.db2.gz STSKZBGWKJQAQJ-IUODEOHRSA-N 0 3 306.406 3.900 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC2CCC(F)(F)CC2)c(F)c1 ZINC000500435950 340058688 /nfs/dbraw/zinc/05/86/88/340058688.db2.gz ZAPDTBBKBAJWAO-UHFFFAOYSA-N 0 3 302.296 3.649 20 5 DHBDHN CCC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507009662 340205326 /nfs/dbraw/zinc/20/53/26/340205326.db2.gz XPTZHHWPQQEMPY-JTQLQIEISA-N 0 3 302.321 3.817 20 5 DHBDHN COc1cc(CN2CCC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000507152318 340209712 /nfs/dbraw/zinc/20/97/12/340209712.db2.gz RPTIFYTYQZZDKQ-AWEZNQCLSA-N 0 3 322.405 3.623 20 5 DHBDHN COc1cc(CN2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000507152319 340209778 /nfs/dbraw/zinc/20/97/78/340209778.db2.gz RPTIFYTYQZZDKQ-CQSZACIVSA-N 0 3 322.405 3.623 20 5 DHBDHN CCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000507225621 340214399 /nfs/dbraw/zinc/21/43/99/340214399.db2.gz ALMKHWQQXWBSSB-UHFFFAOYSA-N 0 3 316.357 3.848 20 5 DHBDHN CC(C)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000508037927 340237955 /nfs/dbraw/zinc/23/79/55/340237955.db2.gz BPYNWZHFZYGRHS-UHFFFAOYSA-N 0 3 314.332 3.817 20 5 DHBDHN Cc1ccc(CN(C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000510454222 340299910 /nfs/dbraw/zinc/29/99/10/340299910.db2.gz HLJQUULVAHKCFA-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN COC[C@H](C)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000510467226 340300268 /nfs/dbraw/zinc/30/02/68/340300268.db2.gz IOEYVONNVWSSGF-LBPRGKRZSA-N 0 3 320.414 3.790 20 5 DHBDHN COc1cccc([C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511107684 340321003 /nfs/dbraw/zinc/32/10/03/340321003.db2.gz LLYIQAXBUUNILY-AWEZNQCLSA-N 0 3 314.385 3.839 20 5 DHBDHN CN(CCc1cccc(F)c1F)CCc1ccccc1[N+](=O)[O-] ZINC000511109050 340321202 /nfs/dbraw/zinc/32/12/02/340321202.db2.gz NYQOYTSTIPKNEN-UHFFFAOYSA-N 0 3 320.339 3.590 20 5 DHBDHN C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000173450485 340365319 /nfs/dbraw/zinc/36/53/19/340365319.db2.gz HSSPVAWEROAGMM-CHWSQXEVSA-N 0 3 318.348 3.852 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@H]3CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056691 340391221 /nfs/dbraw/zinc/39/12/21/340391221.db2.gz KHGXSHLCMIQQMA-NHYWBVRUSA-N 0 3 316.357 3.752 20 5 DHBDHN CC(C)CO[C@@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688250 340676419 /nfs/dbraw/zinc/67/64/19/340676419.db2.gz QVHNQQWZCUKGTM-HZPDHXFCSA-N 0 3 306.406 3.524 20 5 DHBDHN COc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000540162043 340919205 /nfs/dbraw/zinc/91/92/05/340919205.db2.gz CLTUAZWOSDEWDA-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@H](NCCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000542497852 341010576 /nfs/dbraw/zinc/01/05/76/341010576.db2.gz FHBHFJIRPUQVMJ-JTQLQIEISA-N 0 3 324.302 3.905 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)CCc1ccc(F)cc1 ZINC000542705330 341018335 /nfs/dbraw/zinc/01/83/35/341018335.db2.gz RWPFMFJVUJPODG-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)c1nccs1 ZINC000543627739 341051830 /nfs/dbraw/zinc/05/18/30/341051830.db2.gz XKGGVHVSUWWNBP-VXGBXAGGSA-N 0 3 305.403 3.814 20 5 DHBDHN CC[C@H](CC(F)(F)F)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000544939212 341100285 /nfs/dbraw/zinc/10/02/85/341100285.db2.gz AEMOAWNLQHOBNV-HOSRBBHYSA-N 0 3 302.296 3.929 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCCF)o2)c(Cl)c1 ZINC000136516465 341260960 /nfs/dbraw/zinc/26/09/60/341260960.db2.gz FRGKMDGIGDDLFZ-UHFFFAOYSA-N 0 3 312.728 3.957 20 5 DHBDHN CSc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549169693 341287747 /nfs/dbraw/zinc/28/77/47/341287747.db2.gz AETDZLBXGIKUES-UHFFFAOYSA-N 0 3 316.426 3.991 20 5 DHBDHN COc1ccc(-c2ccc(CNCC[C@@H](C)F)o2)c([N+](=O)[O-])c1 ZINC000549883823 341305758 /nfs/dbraw/zinc/30/57/58/341305758.db2.gz NDXQSZRYCBECSV-LLVKDONJSA-N 0 3 322.336 3.701 20 5 DHBDHN CC1(C)CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551520899 341343820 /nfs/dbraw/zinc/34/38/20/341343820.db2.gz UBKWTRQEFQSMPZ-GFCCVEGCSA-N 0 3 302.296 3.892 20 5 DHBDHN Cc1c([C@H](C)NCC2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000552333936 341387201 /nfs/dbraw/zinc/38/72/01/341387201.db2.gz STPUKKSKDOICGH-JTQLQIEISA-N 0 3 302.296 3.896 20 5 DHBDHN COCc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000555420131 341482379 /nfs/dbraw/zinc/48/23/79/341482379.db2.gz BVUIICSCVZCZSA-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCc1ccccc1 ZINC000156947295 341629277 /nfs/dbraw/zinc/62/92/77/341629277.db2.gz LUZZVAXMPUVCCC-HNNXBMFYSA-N 0 3 314.385 3.771 20 5 DHBDHN Cc1cccc2c1OC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254341 341722568 /nfs/dbraw/zinc/72/25/68/341722568.db2.gz ALEAAOGKAAQCTL-CZUORRHYSA-N 0 3 312.369 3.558 20 5 DHBDHN CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265853740 521693259 /nfs/dbraw/zinc/69/32/59/521693259.db2.gz ITWIHJJQQVSGNB-BPLDGKMQSA-N 0 3 324.446 3.682 20 5 DHBDHN CC[C@H](NC[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160053901 522639163 /nfs/dbraw/zinc/63/91/63/522639163.db2.gz QZAXBXUXJBHCJD-HOTGVXAUSA-N 0 3 320.414 3.605 20 5 DHBDHN CC[C@H](N[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161058480 522747157 /nfs/dbraw/zinc/74/71/57/522747157.db2.gz QMVHVOUMYABMLL-ZWKOTPCHSA-N 0 3 314.385 3.759 20 5 DHBDHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802541 524223445 /nfs/dbraw/zinc/22/34/45/524223445.db2.gz VNJBSFKQZNLYAX-PXAZEXFGSA-N 0 3 312.369 3.942 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266887508 524706515 /nfs/dbraw/zinc/70/65/15/524706515.db2.gz QLRIKOZYOIOEFT-OLZOCXBDSA-N 0 3 300.358 3.582 20 5 DHBDHN COc1ccccc1[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000158004299 524813969 /nfs/dbraw/zinc/81/39/69/524813969.db2.gz LWIHAAGYLDLIEY-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN CSCCCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339155266 525444116 /nfs/dbraw/zinc/44/41/16/525444116.db2.gz CRMSRMBSTMAWMV-UHFFFAOYSA-N 0 3 322.352 3.799 20 5 DHBDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266807665 525522623 /nfs/dbraw/zinc/52/26/23/525522623.db2.gz UKLQFBUDRZKHST-NVGCLXPQSA-N 0 3 318.348 3.507 20 5 DHBDHN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162935689 525590325 /nfs/dbraw/zinc/59/03/25/525590325.db2.gz RBXQBSIVHFHBKC-SDNTUTLCSA-N 0 3 316.401 3.593 20 5 DHBDHN C[C@@]1(CNCc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000339446583 525850395 /nfs/dbraw/zinc/85/03/95/525850395.db2.gz CLSYTJKACMMQBT-ZBFHGGJFSA-N 0 3 302.399 3.940 20 5 DHBDHN Cc1c([C@@H](C)NC[C@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998591 525898373 /nfs/dbraw/zinc/89/83/73/525898373.db2.gz GXCGCBYXBJBMAY-WBMJQRKESA-N 0 3 320.414 3.523 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000249888196 526079643 /nfs/dbraw/zinc/07/96/43/526079643.db2.gz PVDFUCDBRLPHHT-GXTWGEPZSA-N 0 3 317.414 3.992 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccncc2)CC1 ZINC000191623603 526085497 /nfs/dbraw/zinc/08/54/97/526085497.db2.gz MWMSGISLXCLIHM-CQSZACIVSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCS2)c(Cl)c1 ZINC000158244087 527350328 /nfs/dbraw/zinc/35/03/28/527350328.db2.gz ZVLITOKBEOYWPQ-LBPRGKRZSA-N 0 3 300.811 3.624 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCCS2)c(Cl)c1 ZINC000158244230 527350866 /nfs/dbraw/zinc/35/08/66/527350866.db2.gz ZVLITOKBEOYWPQ-GFCCVEGCSA-N 0 3 300.811 3.624 20 5 DHBDHN CCOC1CC2(C1)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000285498415 535397631 /nfs/dbraw/zinc/39/76/31/535397631.db2.gz MYISKOXVHYBGLP-CBCUQQMYSA-N 0 3 304.390 3.547 20 5 DHBDHN CCOC[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093839068 1013455943 /nfs/dbraw/zinc/45/59/43/1013455943.db2.gz XGDSGKWSIIHFHC-OAHLLOKOSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000275910327 1014209153 /nfs/dbraw/zinc/20/91/53/1014209153.db2.gz XACAPSPVJROUKT-GUYCJALGSA-N 0 3 304.390 3.547 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000049183683 1014220776 /nfs/dbraw/zinc/22/07/76/1014220776.db2.gz VISRVYFIVBZYEY-NSHDSACASA-N 0 3 306.387 3.824 20 5 DHBDHN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000051235519 1015366670 /nfs/dbraw/zinc/36/66/70/1015366670.db2.gz QGKPVSXGMHBSNU-MRXNPFEDSA-N 0 3 315.373 3.745 20 5 DHBDHN COCc1cccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175984944 1015541252 /nfs/dbraw/zinc/54/12/52/1015541252.db2.gz VLJDWXIXBFEHCN-UHFFFAOYSA-N 0 3 314.385 3.766 20 5 DHBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000610709512 1015729408 /nfs/dbraw/zinc/72/94/08/1015729408.db2.gz VDWRHFMMYWTTLC-OCCSQVGLSA-N 0 3 317.414 3.731 20 5 DHBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000522536229 1015774515 /nfs/dbraw/zinc/77/45/15/1015774515.db2.gz BVAMNENSKDNUDR-UHFFFAOYSA-N 0 3 316.788 3.847 20 5 DHBDHN CC[C@H]1CCCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538736458 1016164054 /nfs/dbraw/zinc/16/40/54/1016164054.db2.gz GFMXRYXUGSWJCJ-AWEZNQCLSA-N 0 3 322.405 3.767 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@@H]1CCC2(CCC2)O1 ZINC000897246134 1017198114 /nfs/dbraw/zinc/19/81/14/1017198114.db2.gz PYLMUTDOLJTMCO-AWEZNQCLSA-N 0 3 324.808 3.830 20 5 DHBDHN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000076651410 1017405432 /nfs/dbraw/zinc/40/54/32/1017405432.db2.gz CGRHHMGSNDQTFG-HNNXBMFYSA-N 0 3 305.403 3.680 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCOc2ccc(F)cc2)cc1Cl ZINC000783597441 1017424646 /nfs/dbraw/zinc/42/46/46/1017424646.db2.gz DHJMQCBWWSLZSU-UHFFFAOYSA-N 0 3 324.739 3.556 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000083169972 1017604398 /nfs/dbraw/zinc/60/43/98/1017604398.db2.gz OJULCAHTOLCWBP-FZMZJTMJSA-N 0 3 301.346 3.501 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000444659755 1017610288 /nfs/dbraw/zinc/61/02/88/1017610288.db2.gz DZJNWBHZEZGSAZ-FZMZJTMJSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1ccc(CN2CCC[C@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000523707817 1017765089 /nfs/dbraw/zinc/76/50/89/1017765089.db2.gz VCXLUSUNAWDMDI-HNNXBMFYSA-N 0 3 306.406 3.862 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(CCc1cccc(F)c1)C1CC1 ZINC000524356392 1017968904 /nfs/dbraw/zinc/96/89/04/1017968904.db2.gz AKIHRNQPRNSGEA-UHFFFAOYSA-N 0 3 314.360 3.941 20 5 DHBDHN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525695596 1018357348 /nfs/dbraw/zinc/35/73/48/1018357348.db2.gz WCAJJPPOJABCCH-INIZCTEOSA-N 0 3 320.776 3.726 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)COC3)CCC2 ZINC000447589343 1018431743 /nfs/dbraw/zinc/43/17/43/1018431743.db2.gz XNLSKLVZHYTMLJ-LJQANCHMSA-N 0 3 324.380 3.792 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370312 1019457690 /nfs/dbraw/zinc/45/76/90/1019457690.db2.gz XTNLSBYLSWTMIF-GXTWGEPZSA-N 0 3 317.414 3.904 20 5 DHBDHN C[C@H]1CC[C@H](C(F)(F)F)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555042 1019517372 /nfs/dbraw/zinc/51/73/72/1019517372.db2.gz KJEPFHNUOFOWTF-AAEUAGOBSA-N 0 3 316.323 3.800 20 5 DHBDHN C[C@@H](c1ccco1)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069065260 1019949730 /nfs/dbraw/zinc/94/97/30/1019949730.db2.gz JQLODCHDDGFDDC-ZDUSSCGKSA-N 0 3 304.346 3.650 20 5 DHBDHN CO[C@](C)([C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969825 1020637871 /nfs/dbraw/zinc/63/78/71/1020637871.db2.gz MFNKIVJVDZLOIJ-ZUZCIYMTSA-N 0 3 312.797 3.541 20 5 DHBDHN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000741790584 1021053682 /nfs/dbraw/zinc/05/36/82/1021053682.db2.gz HTZDGKDWEQBBRR-HNNXBMFYSA-N 0 3 314.360 3.799 20 5 DHBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CCC3(C2)CCCCC3)c1 ZINC000742165285 1021059054 /nfs/dbraw/zinc/05/90/54/1021059054.db2.gz GFURHVXVZDYAKC-UHFFFAOYSA-N 0 3 314.389 3.558 20 5 DHBDHN NCc1nn(-c2ccc([N+](=O)[O-])c3ccccc32)c2ccccc12 ZINC001167700516 1021134141 /nfs/dbraw/zinc/13/41/41/1021134141.db2.gz JVEOIAPWKLUNHK-UHFFFAOYSA-N 0 3 318.336 3.546 20 5 DHBDHN CCC[C@@H]1[C@H](C)CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380244 1021286975 /nfs/dbraw/zinc/28/69/75/1021286975.db2.gz XLGOCNYUECXYQB-CZUORRHYSA-N 0 3 316.405 3.803 20 5 DHBDHN C[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000850343645 1021481240 /nfs/dbraw/zinc/48/12/40/1021481240.db2.gz XNAQHWFEALNVBB-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN COCC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000341237466 1022062154 /nfs/dbraw/zinc/06/21/54/1022062154.db2.gz MEXMODRYCYODLE-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000609505559 1022296538 /nfs/dbraw/zinc/29/65/38/1022296538.db2.gz MDDMCIQDZYZDKW-LLVKDONJSA-N 0 3 309.391 3.744 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2Cc2ccccc2)s1 ZINC000609631012 1022323687 /nfs/dbraw/zinc/32/36/87/1022323687.db2.gz TVAHPUHPAWXDBT-CQSZACIVSA-N 0 3 317.414 3.733 20 5 DHBDHN C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc21 ZINC001169381816 1022380623 /nfs/dbraw/zinc/38/06/23/1022380623.db2.gz TXRBYKZHCVRUJU-BDJLRTHQSA-N 0 3 309.369 3.858 20 5 DHBDHN O=[N+]([O-])c1cc2c(cc1NCCc1coc3ccccc13)CNC2 ZINC001169600946 1022464120 /nfs/dbraw/zinc/46/41/20/1022464120.db2.gz ZWSRBPVYFYUEBU-UHFFFAOYSA-N 0 3 323.352 3.599 20 5 DHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000068659180 1022716319 /nfs/dbraw/zinc/71/63/19/1022716319.db2.gz KRRJYHDUQIJJAK-GFCCVEGCSA-N 0 3 309.366 3.510 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1COCc2ccccc21 ZINC000418109054 1022957740 /nfs/dbraw/zinc/95/77/40/1022957740.db2.gz SLROWLSTMCVPBC-JNMQVBFRSA-N 0 3 324.380 3.859 20 5 DHBDHN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)C(C)C ZINC000112656957 1023815249 /nfs/dbraw/zinc/81/52/49/1023815249.db2.gz WMZPAVVMSGKQBY-LBPRGKRZSA-N 0 3 318.377 3.511 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707076 1024744113 /nfs/dbraw/zinc/74/41/13/1024744113.db2.gz MZEVJNLNXCGNIX-GXTWGEPZSA-N 0 3 322.405 3.623 20 5 DHBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCCCCC1 ZINC001170342532 1024756060 /nfs/dbraw/zinc/75/60/60/1024756060.db2.gz OVRSZHQAVQVROK-AWEZNQCLSA-N 0 3 319.405 3.578 20 5 DHBDHN CCCCO[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236864414 1025290294 /nfs/dbraw/zinc/29/02/94/1025290294.db2.gz ORBQDBPNWSNFIF-OLZOCXBDSA-N 0 3 312.435 3.730 20 5 DHBDHN C[C@H](NC[C@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114505 1025514993 /nfs/dbraw/zinc/51/49/93/1025514993.db2.gz QOPHNTYNKTYORG-UONOGXRCSA-N 0 3 304.390 3.595 20 5 DHBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000886242929 1025570390 /nfs/dbraw/zinc/57/03/90/1025570390.db2.gz JFHBCQPONVHVNI-DLBZAZTESA-N 0 3 311.385 3.758 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOCC2(CCCC2)C1 ZINC000614222898 1025953548 /nfs/dbraw/zinc/95/35/48/1025953548.db2.gz OUJJNDWEJXDCKS-HNNXBMFYSA-N 0 3 318.417 3.857 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560652 1026550955 /nfs/dbraw/zinc/55/09/55/1026550955.db2.gz OJBNBVLCQLYHMH-HOTGVXAUSA-N 0 3 322.380 3.561 20 5 DHBDHN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000809688560 1026593586 /nfs/dbraw/zinc/59/35/86/1026593586.db2.gz LZOZNBXFMSYBPL-UHFFFAOYSA-N 0 3 319.792 3.626 20 5 DHBDHN CC[C@H](CSC)N(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809767831 1026605875 /nfs/dbraw/zinc/60/58/75/1026605875.db2.gz VNHFCTFIJOQRPQ-LLVKDONJSA-N 0 3 302.827 3.822 20 5 DHBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421824405 1027059648 /nfs/dbraw/zinc/05/96/48/1027059648.db2.gz IMLRRJZLYHCMHU-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN COc1cc(CN2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000562052205 1027201236 /nfs/dbraw/zinc/20/12/36/1027201236.db2.gz PORXRGMHLZKLKS-UHFFFAOYSA-N 0 3 304.390 3.616 20 5 DHBDHN CCOc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000575761442 1027498994 /nfs/dbraw/zinc/49/89/94/1027498994.db2.gz AUGTVBQETJEFGM-KRWDZBQOSA-N 0 3 312.369 3.771 20 5 DHBDHN COCc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158533897 1027564494 /nfs/dbraw/zinc/56/44/94/1027564494.db2.gz VNYUFVDZDQBNQM-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O)(C2CCC2)CC1 ZINC000932820224 1027616126 /nfs/dbraw/zinc/61/61/26/1027616126.db2.gz LXUFKJOZODVMRP-CQSZACIVSA-N 0 3 318.417 3.591 20 5 DHBDHN COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266051 1028050363 /nfs/dbraw/zinc/05/03/63/1028050363.db2.gz ZVJGGGLQDAOSLU-XIKOKIGWSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1csc([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116685 1028372217 /nfs/dbraw/zinc/37/22/17/1028372217.db2.gz MFCOHJJOFLGYES-PWSUYJOCSA-N 0 3 305.403 3.642 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815564999 1028546366 /nfs/dbraw/zinc/54/63/66/1028546366.db2.gz ZUAUFUITJSTCTH-QWRGUYRKSA-N 0 3 305.403 3.959 20 5 DHBDHN Cc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571297 1028563441 /nfs/dbraw/zinc/56/34/41/1028563441.db2.gz ZXGGBQZIGFIYQQ-SJKOYZFVSA-N 0 3 311.385 3.824 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3c(F)cccc32)c1 ZINC000449352052 1028571130 /nfs/dbraw/zinc/57/11/30/1028571130.db2.gz RYJMFIXJTXSIJV-KRWDZBQOSA-N 0 3 300.333 3.901 20 5 DHBDHN Cc1cncc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451552672 1029913433 /nfs/dbraw/zinc/91/34/33/1029913433.db2.gz XAJMUPSMZCJBQD-KRWDZBQOSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000865832877 1030049044 /nfs/dbraw/zinc/04/90/44/1030049044.db2.gz ZUWSBEXNWCGILF-CHWSQXEVSA-N 0 3 314.307 3.890 20 5 DHBDHN COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000866365378 1030258494 /nfs/dbraw/zinc/25/84/94/1030258494.db2.gz VWRFXVCQSPAIBB-SGTLLEGYSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1ccc2c(c1)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000866539155 1030358899 /nfs/dbraw/zinc/35/88/99/1030358899.db2.gz HMEFKQXFCVHDOD-KRWDZBQOSA-N 0 3 312.369 3.689 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)C(C)(F)F ZINC000866547497 1030364180 /nfs/dbraw/zinc/36/41/80/1030364180.db2.gz XEYJGHVFDMCRAD-SNVBAGLBSA-N 0 3 316.348 3.935 20 5 DHBDHN C[C@H]1SCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435279 1030561538 /nfs/dbraw/zinc/56/15/38/1030561538.db2.gz RVGYHYNUZAMFEI-HQJQHLMTSA-N 0 3 321.229 3.885 20 5 DHBDHN CC[C@](C)(CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824743956 1030635001 /nfs/dbraw/zinc/63/50/01/1030635001.db2.gz SRLRDMGMDCHUKE-CYBMUJFWSA-N 0 3 321.204 3.806 20 5 DHBDHN C[C@@H](N[C@@H](C)C1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926894362 1030972985 /nfs/dbraw/zinc/97/29/85/1030972985.db2.gz YINLQSCZNGOTFR-ZJUUUORDSA-N 0 3 313.195 3.561 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1cnn(C)c1)C(C)C ZINC000927065296 1031061630 /nfs/dbraw/zinc/06/16/30/1031061630.db2.gz GYAKIJHCNWZIJL-GUYCJALGSA-N 0 3 316.405 3.685 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069561 1031069839 /nfs/dbraw/zinc/06/98/39/1031069839.db2.gz WWWIVPANBVEALJ-CXAGYDPISA-N 0 3 316.405 3.685 20 5 DHBDHN C[C@H](N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037720 1031421234 /nfs/dbraw/zinc/42/12/34/1031421234.db2.gz FNZGXYRMUHSJMK-QMMBQJITSA-N 0 3 322.380 3.588 20 5 DHBDHN COCCC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872042301 1031428959 /nfs/dbraw/zinc/42/89/59/1031428959.db2.gz ASBUIBIAIBBQNC-LBPRGKRZSA-N 0 3 310.369 3.591 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1cscn1 ZINC000872044514 1031431613 /nfs/dbraw/zinc/43/16/13/1031431613.db2.gz VFAHSVYSOVTHGT-SNVBAGLBSA-N 0 3 323.443 3.667 20 5 DHBDHN COCc1cccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873013418 1031692935 /nfs/dbraw/zinc/69/29/35/1031692935.db2.gz CBTHVDUWBWDFGK-UHFFFAOYSA-N 0 3 314.385 3.648 20 5 DHBDHN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943284 1031711939 /nfs/dbraw/zinc/71/19/39/1031711939.db2.gz YTNCNTCLVMQOSO-QFYYESIMSA-N 0 3 315.348 3.654 20 5 DHBDHN CC1=C(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845875919 1031747598 /nfs/dbraw/zinc/74/75/98/1031747598.db2.gz LVPMFHUFAMSYPO-IAQYHMDHSA-N 0 3 307.321 3.576 20 5 DHBDHN CC([C@@H](OC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872203 1031747711 /nfs/dbraw/zinc/74/77/11/1031747711.db2.gz DOTNZXHQCYDEGF-IAQYHMDHSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@H](OC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872202 1031748248 /nfs/dbraw/zinc/74/82/48/1031748248.db2.gz DOTNZXHQCYDEGF-ABAIWWIYSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@H](OC(=O)C[C@@H](C)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880150 1031750869 /nfs/dbraw/zinc/75/08/69/1031750869.db2.gz YVDCLSMRMLZAMC-GDLVEWKHSA-N 0 3 309.337 3.511 20 5 DHBDHN CC([C@H](OC(=O)[C@@H](C)C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881634 1031752521 /nfs/dbraw/zinc/75/25/21/1031752521.db2.gz MWKUFAAZSVDQDY-RWSFTLGLSA-N 0 3 309.337 3.511 20 5 DHBDHN C[C@@H](NCc1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361480845 1031944805 /nfs/dbraw/zinc/94/48/05/1031944805.db2.gz GYZIMAUJMJVFON-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN COc1cc(CN(CC2CC2)C2CCC2)c([N+](=O)[O-])cc1F ZINC000361588964 1032001472 /nfs/dbraw/zinc/00/14/72/1032001472.db2.gz ZWVZOQZCAUELKZ-UHFFFAOYSA-N 0 3 308.353 3.507 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069562 1033514596 /nfs/dbraw/zinc/51/45/96/1033514596.db2.gz WWWIVPANBVEALJ-DYVFJYSZSA-N 0 3 316.405 3.685 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC3(CC3)CC2)c1F ZINC001173178895 1033581086 /nfs/dbraw/zinc/58/10/86/1033581086.db2.gz BWUVNCWOFYYTCK-LBPRGKRZSA-N 0 3 322.380 3.550 20 5 DHBDHN Cc1c(CN[C@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000179749946 1034334153 /nfs/dbraw/zinc/33/41/53/1034334153.db2.gz HFWXJLUWOQQLBH-QGZVFWFLSA-N 0 3 314.385 3.507 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCCC[C@H](C3CCOCC3)C2)cs1 ZINC000880575260 1034367066 /nfs/dbraw/zinc/36/70/66/1034367066.db2.gz WSPSSMINKSZTOI-HNNXBMFYSA-N 0 3 324.446 3.685 20 5 DHBDHN COc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192610122 1034810868 /nfs/dbraw/zinc/81/08/68/1034810868.db2.gz PYLVSISPRHVZMU-GOSISDBHSA-N 0 3 312.369 3.771 20 5 DHBDHN Cc1ccc(CNC/C=C/c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001179385567 1035476690 /nfs/dbraw/zinc/47/66/90/1035476690.db2.gz BIFIMXOXMPXWSO-NSCUHMNNSA-N 0 3 318.323 3.984 20 5 DHBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC001180688586 1035745540 /nfs/dbraw/zinc/74/55/40/1035745540.db2.gz YVZMUYCUQVTGBA-VIFPVBQESA-N 0 3 311.794 3.598 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](OCC2CC2)C1 ZINC000494704451 1035770298 /nfs/dbraw/zinc/77/02/98/1035770298.db2.gz SEGYXWUZEQTRMZ-WMLDXEAASA-N 0 3 318.417 3.855 20 5 DHBDHN CC1(C)CC[C@@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181574674 1035942740 /nfs/dbraw/zinc/94/27/40/1035942740.db2.gz BFJRHMGOYJDHOM-LBPRGKRZSA-N 0 3 302.296 3.892 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)C2(CCCCC2)C1 ZINC001194477545 1035943616 /nfs/dbraw/zinc/94/36/16/1035943616.db2.gz MDVZRVLGAHAWGA-HNNXBMFYSA-N 0 3 317.433 3.606 20 5 DHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCOCC3CCC3)C2)cc1 ZINC001194476961 1035944032 /nfs/dbraw/zinc/94/40/32/1035944032.db2.gz GNBRZCXBYVVVBB-KRWDZBQOSA-N 0 3 318.417 3.591 20 5 DHBDHN C[C@H]1c2ccccc2OCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000609145422 1036508646 /nfs/dbraw/zinc/50/86/46/1036508646.db2.gz BRNZMCFMEQKGGS-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN C/C=C/C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606749 1036573233 /nfs/dbraw/zinc/57/32/33/1036573233.db2.gz WOEHUBWSFRODOM-XGACYXMMSA-N 0 3 304.390 3.782 20 5 DHBDHN CCOc1cc(CN(C)[C@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000492534854 1036910405 /nfs/dbraw/zinc/91/04/05/1036910405.db2.gz KQNLOTLUMCGVMP-GFCCVEGCSA-N 0 3 312.435 3.567 20 5 DHBDHN Cc1ccnc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000572131884 1038339679 /nfs/dbraw/zinc/33/96/79/1038339679.db2.gz QYUAECRCHXIQQY-MRXNPFEDSA-N 0 3 311.385 3.596 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550224 1038704462 /nfs/dbraw/zinc/70/44/62/1038704462.db2.gz VYTHDEJSCZTCRU-ONGXEEELSA-N 0 3 303.189 3.748 20 5 DHBDHN C[C@@H](c1ccccc1F)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894839 1039215308 /nfs/dbraw/zinc/21/53/08/1039215308.db2.gz ZBBLPTYLNVQKOQ-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN CC(C)c1ccc(CNCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000592372404 1039362050 /nfs/dbraw/zinc/36/20/50/1039362050.db2.gz VMUMPEJCKUKGHK-UHFFFAOYSA-N 0 3 314.385 3.500 20 5 DHBDHN O=[N+]([O-])c1sccc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000604433065 1039474240 /nfs/dbraw/zinc/47/42/40/1039474240.db2.gz DEHAXKZHJUDUQZ-HNNXBMFYSA-N 0 3 317.414 3.905 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)c1nccs1 ZINC000595031489 1040039675 /nfs/dbraw/zinc/03/96/75/1040039675.db2.gz HNDHXQGQIWHGST-MNOVXSKESA-N 0 3 321.402 3.514 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCC1(F)F ZINC000595042215 1040043977 /nfs/dbraw/zinc/04/39/77/1040043977.db2.gz QUBJWYHCDOUQAS-MNOVXSKESA-N 0 3 314.332 3.689 20 5 DHBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000595046204 1040049001 /nfs/dbraw/zinc/04/90/01/1040049001.db2.gz JUNAUGIXZSUWEJ-KCXAZCMYSA-N 0 3 322.405 3.602 20 5 DHBDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329910 1040100593 /nfs/dbraw/zinc/10/05/93/1040100593.db2.gz DOVPNIQCTLYIRM-KGLIPLIRSA-N 0 3 312.410 3.840 20 5 DHBDHN Cc1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224012 1040703744 /nfs/dbraw/zinc/70/37/44/1040703744.db2.gz ARRNSUAXFAXBFG-WMZOPIPTSA-N 0 3 318.417 3.684 20 5 DHBDHN C[C@@H](Cc1cccs1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509736 1041078023 /nfs/dbraw/zinc/07/80/23/1041078023.db2.gz JLTKJWHZKZZMEQ-JTQLQIEISA-N 0 3 317.370 3.518 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691834 1041154846 /nfs/dbraw/zinc/15/48/46/1041154846.db2.gz UCTMPLDWPFLNRE-LDYMZIIASA-N 0 3 320.336 3.597 20 5 DHBDHN C[C@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000273109156 130090422 /nfs/dbraw/zinc/09/04/22/130090422.db2.gz XBXPNBSADARDOF-NEPJUHHUSA-N 0 3 305.403 3.848 20 5 DHBDHN C[C@@H]1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123064 130091120 /nfs/dbraw/zinc/09/11/20/130091120.db2.gz ZZMXQHJRDSBMOV-NEPJUHHUSA-N 0 3 312.797 3.543 20 5 DHBDHN COc1cccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076732 131046159 /nfs/dbraw/zinc/04/61/59/131046159.db2.gz LPYQCJGPMFMGBL-RYUDHWBXSA-N 0 3 315.373 3.597 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccncc2)C1 ZINC000289288961 131371236 /nfs/dbraw/zinc/37/12/36/131371236.db2.gz HABAVYMTCUJVFY-YOEHRIQHSA-N 0 3 311.385 3.930 20 5 DHBDHN CCOC1(C)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000298254951 132052972 /nfs/dbraw/zinc/05/29/72/132052972.db2.gz LIZGCABXZCRWJO-AWEZNQCLSA-N 0 3 306.406 3.855 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695953 331809214 /nfs/dbraw/zinc/80/92/14/331809214.db2.gz WZLDYXAPDXJPCO-YPMHNXCESA-N 0 3 321.352 3.868 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCCC(=O)OC(C)(C)C ZINC000518461665 332055110 /nfs/dbraw/zinc/05/51/10/332055110.db2.gz GQARRWNTYFYNDV-CYBMUJFWSA-N 0 3 322.405 3.676 20 5 DHBDHN COc1ccc(-c2ccc(CNC[C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520948037 332114749 /nfs/dbraw/zinc/11/47/49/332114749.db2.gz OCNZSDBYJUMUAG-RYUDHWBXSA-N 0 3 316.357 3.609 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](Nc2ccccc2)C1 ZINC000092757724 332164842 /nfs/dbraw/zinc/16/48/42/332164842.db2.gz NLWRKZBQAGOLPL-JHTBKMLMSA-N 0 3 323.396 3.794 20 5 DHBDHN CC(C)CSCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000562498990 332599043 /nfs/dbraw/zinc/59/90/43/332599043.db2.gz RLSCTPWNLOKVOO-MRXNPFEDSA-N 0 3 308.447 3.951 20 5 DHBDHN C[C@H](NC[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341637 333072591 /nfs/dbraw/zinc/07/25/91/333072591.db2.gz KCPMIQYLIJIGDE-ZBEGNZNMSA-N 0 3 320.776 3.632 20 5 DHBDHN O=[N+]([O-])c1ccccc1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390705827 333316373 /nfs/dbraw/zinc/31/63/73/333316373.db2.gz QBZDVPBCBACICG-INIZCTEOSA-N 0 3 311.385 3.671 20 5 DHBDHN CCOC(C)(C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186541224 333374476 /nfs/dbraw/zinc/37/44/76/333374476.db2.gz ZMPMKGIBHJVJEG-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN C[C@H](NC[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662342 333384477 /nfs/dbraw/zinc/38/44/77/333384477.db2.gz WCYCIJGQORXQLS-GUYCJALGSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@@H](NC[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662364 333384524 /nfs/dbraw/zinc/38/45/24/333384524.db2.gz WCYCIJGQORXQLS-DYVFJYSZSA-N 0 3 306.406 3.577 20 5 DHBDHN CN(C)Cc1cccc(NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000121755973 333388198 /nfs/dbraw/zinc/38/81/98/333388198.db2.gz NXBSOBMYGVMHFR-UHFFFAOYSA-N 0 3 319.792 3.922 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCCNc1ccccc1 ZINC000563416828 333602472 /nfs/dbraw/zinc/60/24/72/333602472.db2.gz KBVBYIVSZKRZJU-QGZVFWFLSA-N 0 3 311.385 3.674 20 5 DHBDHN CCN(CC)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000343355691 335154515 /nfs/dbraw/zinc/15/45/15/335154515.db2.gz ZGCXBAZDYDZABH-OAHLLOKOSA-N 0 3 321.352 3.822 20 5 DHBDHN C[C@@H](NCCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000216254416 333804525 /nfs/dbraw/zinc/80/45/25/333804525.db2.gz UXMJIAUFTHNMKN-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN CC(C)c1ccc(CN(C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343458262 335166158 /nfs/dbraw/zinc/16/61/58/335166158.db2.gz CAGFWZHMFKMUKF-OAHLLOKOSA-N 0 3 306.406 3.719 20 5 DHBDHN COC1([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293673 333934949 /nfs/dbraw/zinc/93/49/49/333934949.db2.gz BRMJFLNRQDSVOP-MLGOLLRUSA-N 0 3 304.390 3.519 20 5 DHBDHN C[C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503966 334000269 /nfs/dbraw/zinc/00/02/69/334000269.db2.gz RPTYLJOAQSZBND-RYUDHWBXSA-N 0 3 318.398 3.838 20 5 DHBDHN Cc1ccc(CN2CC3(CCOCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000414521196 334006195 /nfs/dbraw/zinc/00/61/95/334006195.db2.gz DTIUGMWKZDYZDG-KRWDZBQOSA-N 0 3 318.417 3.540 20 5 DHBDHN CN(CCCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000276598820 334083303 /nfs/dbraw/zinc/08/33/03/334083303.db2.gz DZOPCPMPXRSWQB-UHFFFAOYSA-N 0 3 320.414 3.528 20 5 DHBDHN CC[C@H](NCc1c(C)nc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000342254189 334520725 /nfs/dbraw/zinc/52/07/25/334520725.db2.gz BJCIBDPGJDROMC-INIZCTEOSA-N 0 3 324.384 3.792 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000417368390 334760549 /nfs/dbraw/zinc/76/05/49/334760549.db2.gz OOWSIMIKTHRPCZ-UKRRQHHQSA-N 0 3 324.421 3.705 20 5 DHBDHN C[C@H]1CC(C)(C)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688879 338482813 /nfs/dbraw/zinc/48/28/13/338482813.db2.gz LGGLHFLHMDYNOO-WCQYABFASA-N 0 3 316.405 3.776 20 5 DHBDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540039 336223341 /nfs/dbraw/zinc/22/33/41/336223341.db2.gz GMMBQHHVSVAOKB-KBPBESRZSA-N 0 3 324.446 3.709 20 5 DHBDHN CCSCC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780897 336236024 /nfs/dbraw/zinc/23/60/24/336236024.db2.gz WIGKLTUBNLKJNI-LBPRGKRZSA-N 0 3 312.435 3.567 20 5 DHBDHN Cc1cccc(NC[C@@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000302518382 336360765 /nfs/dbraw/zinc/36/07/65/336360765.db2.gz WJRBZDAWFJSECD-ZDUSSCGKSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H](N2CCCC2)C1 ZINC000302653798 336363596 /nfs/dbraw/zinc/36/35/96/336363596.db2.gz HBACFIYHVZMJCD-CYBMUJFWSA-N 0 3 323.824 3.621 20 5 DHBDHN CCC[C@@H](NCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353038689 336386834 /nfs/dbraw/zinc/38/68/34/336386834.db2.gz LDZKFGKBGHKWOB-OAHLLOKOSA-N 0 3 322.405 3.757 20 5 DHBDHN CC[C@H](N[C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000361877626 336776423 /nfs/dbraw/zinc/77/64/23/336776423.db2.gz QMVHVOUMYABMLL-ROUUACIJSA-N 0 3 314.385 3.759 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)C1CCCCC1)CCC2 ZINC000583686993 336950004 /nfs/dbraw/zinc/95/00/04/336950004.db2.gz BJCXHYQOLPKZQN-ROUUACIJSA-N 0 3 318.417 3.503 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000374329241 336987418 /nfs/dbraw/zinc/98/74/18/336987418.db2.gz JWKHEUDROCENQI-PBHICJAKSA-N 0 3 311.385 3.806 20 5 DHBDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305183213 337018023 /nfs/dbraw/zinc/01/80/23/337018023.db2.gz WPXCBPSTMXARNP-KSSFIOAISA-N 0 3 314.385 3.759 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC[C@H](c2ccccc2)O1 ZINC000377386571 337051611 /nfs/dbraw/zinc/05/16/11/337051611.db2.gz CCJSXFUJFJYDOJ-SJLPKXTDSA-N 0 3 312.369 3.605 20 5 DHBDHN CC[C@@H](NCc1ccccc1COC)c1cccc([N+](=O)[O-])c1 ZINC000193894062 337079788 /nfs/dbraw/zinc/07/97/88/337079788.db2.gz ORGHJWOVPDAMNG-GOSISDBHSA-N 0 3 314.385 3.982 20 5 DHBDHN COC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000181082730 337179659 /nfs/dbraw/zinc/17/96/59/337179659.db2.gz UCAYJDQGVGTMDU-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN C[C@@H](NCc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000195147196 337465571 /nfs/dbraw/zinc/46/55/71/337465571.db2.gz PUCZXLSBOFNATP-CYBMUJFWSA-N 0 3 307.353 3.994 20 5 DHBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000246421052 337547150 /nfs/dbraw/zinc/54/71/50/337547150.db2.gz NGEPIQKEUUBBSP-GDZNZVCISA-N 0 3 312.369 3.810 20 5 DHBDHN COCc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313199 338009542 /nfs/dbraw/zinc/00/95/42/338009542.db2.gz NLDOAVSRMBNCBK-QGZVFWFLSA-N 0 3 312.369 3.518 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCS[C@H](C)CC1 ZINC000426389398 338030092 /nfs/dbraw/zinc/03/00/92/338030092.db2.gz FDFXPWIBAVPHFZ-QLKUMGTLSA-N 0 3 306.431 3.826 20 5 DHBDHN CC(C)(NCCOc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429262801 338075277 /nfs/dbraw/zinc/07/52/77/338075277.db2.gz HCLDXOXQPSBUJF-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429678619 338087075 /nfs/dbraw/zinc/08/70/75/338087075.db2.gz GBBJSISCRJUZEY-GOEBONIOSA-N 0 3 324.446 3.757 20 5 DHBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232219 338102396 /nfs/dbraw/zinc/10/23/96/338102396.db2.gz FWGQEWVMCGWENA-DZGCQCFKSA-N 0 3 324.446 3.709 20 5 DHBDHN CO[C@@H]1CCCC[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433289742 338189615 /nfs/dbraw/zinc/18/96/15/338189615.db2.gz PTRJZYDMYMPQKW-YESZJQIVSA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1Cc3ccccc3O1)CCC2 ZINC000447528641 338554336 /nfs/dbraw/zinc/55/43/36/338554336.db2.gz JHZSGFQCFCZOOG-WMZOPIPTSA-N 0 3 324.380 3.566 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000449058989 338589177 /nfs/dbraw/zinc/58/91/77/338589177.db2.gz NQFQGFUBZXTHGI-CZUORRHYSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1F ZINC000449106242 338593998 /nfs/dbraw/zinc/59/39/98/338593998.db2.gz LIDOWTQHPIHBNS-LLVKDONJSA-N 0 3 306.312 3.594 20 5 DHBDHN Cc1csc([C@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116683 338594737 /nfs/dbraw/zinc/59/47/37/338594737.db2.gz MFCOHJJOFLGYES-JQWIXIFHSA-N 0 3 305.403 3.642 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCCC1(F)F ZINC000449493608 338631228 /nfs/dbraw/zinc/63/12/28/338631228.db2.gz LUDWVSPLRZZTSV-LBPRGKRZSA-N 0 3 314.332 3.519 20 5 DHBDHN Cc1ccc([C@H](C)NCC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000453365022 338832381 /nfs/dbraw/zinc/83/23/81/338832381.db2.gz CKVCTXDUMSGUGO-AWEZNQCLSA-N 0 3 320.433 3.885 20 5 DHBDHN C[C@H]1CCCC[C@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637454 338851702 /nfs/dbraw/zinc/85/17/02/338851702.db2.gz UXILCOAIBIVYLN-SJCJKPOMSA-N 0 3 320.389 3.520 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000459431714 339028748 /nfs/dbraw/zinc/02/87/48/339028748.db2.gz SVQPGTOESVPSIK-QKPAOTATSA-N 0 3 324.446 3.545 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@H]3CCC[C@@H]4C[C@@H]43)co2)cc1 ZINC000459794055 339048967 /nfs/dbraw/zinc/04/89/67/339048967.db2.gz WIXHYVSODOONFG-KCXAZCMYSA-N 0 3 313.357 3.528 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN[C@@H]3CCC[C@@H]4C[C@@H]43)co2)cc1 ZINC000459794056 339049025 /nfs/dbraw/zinc/04/90/25/339049025.db2.gz WIXHYVSODOONFG-UHOFOFEASA-N 0 3 313.357 3.528 20 5 DHBDHN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)OC ZINC000462828276 339092759 /nfs/dbraw/zinc/09/27/59/339092759.db2.gz VVHYIFJMHWTQJW-CYBMUJFWSA-N 0 3 318.373 3.712 20 5 DHBDHN C[C@@H](NC[C@H](C)Oc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467850346 339247648 /nfs/dbraw/zinc/24/76/48/339247648.db2.gz KFIXYRVKYDCDPQ-QWHCGFSZSA-N 0 3 318.348 3.852 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCOC1CCCCC1 ZINC000468634418 339267544 /nfs/dbraw/zinc/26/75/44/339267544.db2.gz DHCXTXPGLPKHLW-QINSGFPZSA-N 0 3 318.417 3.937 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cccc(F)c1 ZINC000468646876 339267960 /nfs/dbraw/zinc/26/79/60/339267960.db2.gz ZRMMJBOHBYVBOW-MDWZMJQESA-N 0 3 300.333 3.927 20 5 DHBDHN CCS[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775197 339298883 /nfs/dbraw/zinc/29/88/83/339298883.db2.gz KKJRYQCTLMJCSB-BBRMVZONSA-N 0 3 324.446 3.757 20 5 DHBDHN CSC[C@@H]1CCCN1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179518 339313147 /nfs/dbraw/zinc/31/31/47/339313147.db2.gz YFZCAROPLDTYHX-WQMJKPAKSA-N 0 3 306.431 3.826 20 5 DHBDHN CC(C)(C)CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000475682264 339459468 /nfs/dbraw/zinc/45/94/68/339459468.db2.gz PJOYQSDBQGWNCO-LBPRGKRZSA-N 0 3 314.813 3.525 20 5 DHBDHN CCCC(O)(CCC)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483301122 339660457 /nfs/dbraw/zinc/66/04/57/339660457.db2.gz ZWTAABVOCJZLRZ-AWEZNQCLSA-N 0 3 308.422 3.885 20 5 DHBDHN Cc1c(CN[C@H]2CS[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545062 339787234 /nfs/dbraw/zinc/78/72/34/339787234.db2.gz OIFFQDOTOSNDBV-HIFRSBDPSA-N 0 3 308.447 3.913 20 5 DHBDHN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCSC2)c2ccccc2)c1 ZINC000494036209 339939531 /nfs/dbraw/zinc/93/95/31/339939531.db2.gz BPQMZMVPAKYBCO-WBVHZDCISA-N 0 3 314.410 3.779 20 5 DHBDHN CC(C)c1ccc(CN(C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000497112395 340020607 /nfs/dbraw/zinc/02/06/07/340020607.db2.gz DZUBLUOGVOSYEI-YJBOKZPZSA-N 0 3 320.433 3.701 20 5 DHBDHN C[C@H](NCCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000502663921 340109815 /nfs/dbraw/zinc/10/98/15/340109815.db2.gz QQSZNGWOTLNFTA-JTQLQIEISA-N 0 3 324.302 3.905 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000503582677 340131718 /nfs/dbraw/zinc/13/17/18/340131718.db2.gz FEYXDHZJPIRLQU-AWEZNQCLSA-N 0 3 300.333 3.723 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000503858649 340135309 /nfs/dbraw/zinc/13/53/09/340135309.db2.gz RHIDKCCCXVWMKY-LERXQTSPSA-N 0 3 314.332 3.714 20 5 DHBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000505608362 340172821 /nfs/dbraw/zinc/17/28/21/340172821.db2.gz LAKQYZSDNGLSIT-RYUDHWBXSA-N 0 3 311.813 3.781 20 5 DHBDHN C[C@@H](NCCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000507452451 340220339 /nfs/dbraw/zinc/22/03/39/340220339.db2.gz WYDSTKNYYLQDFP-SNVBAGLBSA-N 0 3 324.302 3.905 20 5 DHBDHN O=[N+]([O-])c1ccccc1CCN[C@H]1CCc2c1c(F)ccc2F ZINC000507813633 340232860 /nfs/dbraw/zinc/23/28/60/340232860.db2.gz KKWQQJTVKHSTRL-HNNXBMFYSA-N 0 3 318.323 3.693 20 5 DHBDHN CN(CCSc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000509090031 340260962 /nfs/dbraw/zinc/26/09/62/340260962.db2.gz NWNHAZCHZLPRMW-UHFFFAOYSA-N 0 3 320.389 3.958 20 5 DHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccc(F)cc1 ZINC000510455593 340299948 /nfs/dbraw/zinc/29/99/48/340299948.db2.gz CFJCNVZSIHXCQE-XQRVVYSFSA-N 0 3 314.360 3.922 20 5 DHBDHN COc1ccc(C)cc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511071958 340319995 /nfs/dbraw/zinc/31/99/95/340319995.db2.gz BWRQQVMZPSXCHF-UHFFFAOYSA-N 0 3 314.385 3.586 20 5 DHBDHN C[C@@H](Cc1ccc(O)cc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000512599418 340368477 /nfs/dbraw/zinc/36/84/77/340368477.db2.gz CNXRTHCXTOVRLA-NSHDSACASA-N 0 3 320.776 3.675 20 5 DHBDHN C[C@H]1CSC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863806 340381321 /nfs/dbraw/zinc/38/13/21/340381321.db2.gz GTHNELYQBJYMJQ-XHDPSFHLSA-N 0 3 318.398 3.696 20 5 DHBDHN C[C@@H]1CSC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863800 340381333 /nfs/dbraw/zinc/38/13/33/340381333.db2.gz GTHNELYQBJYMJQ-ABAIWWIYSA-N 0 3 318.398 3.696 20 5 DHBDHN CCC[C@]1(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000512880389 340382208 /nfs/dbraw/zinc/38/22/08/340382208.db2.gz TVXJWTHFLHANTE-KRWDZBQOSA-N 0 3 306.406 3.767 20 5 DHBDHN CCc1cnc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000130264980 341010854 /nfs/dbraw/zinc/01/08/54/341010854.db2.gz APAJQWBSOJIAJL-LBPRGKRZSA-N 0 3 319.430 3.815 20 5 DHBDHN CCc1cnc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000130265189 341010858 /nfs/dbraw/zinc/01/08/58/341010858.db2.gz APAJQWBSOJIAJL-GFCCVEGCSA-N 0 3 319.430 3.815 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCC(C)(C)Oc1ccccc1 ZINC000542704584 341018135 /nfs/dbraw/zinc/01/81/35/341018135.db2.gz GTBDPBNTGBHALS-UHFFFAOYSA-N 0 3 314.385 3.850 20 5 DHBDHN C[C@H](Cc1ccsc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000543096346 341031661 /nfs/dbraw/zinc/03/16/61/341031661.db2.gz XEZCWDYZGZNEKT-GFCCVEGCSA-N 0 3 302.399 3.646 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCc1ccccc1O ZINC000543249358 341038283 /nfs/dbraw/zinc/03/82/83/341038283.db2.gz QQRZWKPHMKPXQB-CQSZACIVSA-N 0 3 314.385 3.844 20 5 DHBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185320 341073380 /nfs/dbraw/zinc/07/33/80/341073380.db2.gz ZTFGACNQUGYVOF-SJCJKPOMSA-N 0 3 316.357 3.512 20 5 DHBDHN CCC(CC)(CN[C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000546165460 341155411 /nfs/dbraw/zinc/15/54/11/341155411.db2.gz GVXNHBDALPBWLF-CYBMUJFWSA-N 0 3 322.405 3.533 20 5 DHBDHN COc1cc(C)ccc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000548710080 341270114 /nfs/dbraw/zinc/27/01/14/341270114.db2.gz WVVBFCINRMFYEN-AWEZNQCLSA-N 0 3 314.385 3.805 20 5 DHBDHN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000246918822 341358674 /nfs/dbraw/zinc/35/86/74/341358674.db2.gz YJRIKRLDZAWVPY-RYUDHWBXSA-N 0 3 303.362 3.604 20 5 DHBDHN CN(C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000552909606 341408335 /nfs/dbraw/zinc/40/83/35/341408335.db2.gz JCTKPCUPXBNOKE-OAHLLOKOSA-N 0 3 321.327 3.588 20 5 DHBDHN C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000480626651 518182313 /nfs/dbraw/zinc/18/23/13/518182313.db2.gz QQGWJGGYXPYFBB-CABCVRRESA-N 0 3 313.401 3.770 20 5 DHBDHN CCOCc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119556017 520214041 /nfs/dbraw/zinc/21/40/41/520214041.db2.gz BXSJWUREXQSJRU-CQSZACIVSA-N 0 3 314.385 3.982 20 5 DHBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCCO[C@H]21 ZINC000266157088 520667553 /nfs/dbraw/zinc/66/75/53/520667553.db2.gz MIWDYIQTKYWOEF-BPLDGKMQSA-N 0 3 324.808 3.541 20 5 DHBDHN CCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265853747 521692746 /nfs/dbraw/zinc/69/27/46/521692746.db2.gz ITWIHJJQQVSGNB-YUELXQCFSA-N 0 3 324.446 3.682 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266887506 524706696 /nfs/dbraw/zinc/70/66/96/524706696.db2.gz QLRIKOZYOIOEFT-CHWSQXEVSA-N 0 3 300.358 3.582 20 5 DHBDHN C[C@H](NC[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748326 525409438 /nfs/dbraw/zinc/40/94/38/525409438.db2.gz BURMJPRUOJQRIL-ZBEGNZNMSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1ccc([C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130673835 525976748 /nfs/dbraw/zinc/97/67/48/525976748.db2.gz LMXFWERZTFVSMV-RDTXWAMCSA-N 0 3 314.385 3.596 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)[C@H]1C ZINC000368218130 526083875 /nfs/dbraw/zinc/08/38/75/526083875.db2.gz DTCOTJDZMMIRGK-ZIAGYGMSSA-N 0 3 304.390 3.547 20 5 DHBDHN C[C@@H](N[C@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341917 1013949209 /nfs/dbraw/zinc/94/92/09/1013949209.db2.gz JDFYZFSGJPDSIF-CABCVRRESA-N 0 3 311.385 3.524 20 5 DHBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]21 ZINC000248447882 1014500491 /nfs/dbraw/zinc/50/04/91/1014500491.db2.gz HPETYKFEYGWBOZ-BPLDGKMQSA-N 0 3 324.808 3.541 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCN(Cc2cccs2)C2CC2)cc1 ZINC000065533480 1016201725 /nfs/dbraw/zinc/20/17/25/1016201725.db2.gz QTUJHYBGRVQCBM-UHFFFAOYSA-N 0 3 318.398 3.700 20 5 DHBDHN Cc1c([C@@H](C)NCc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000119879408 1016402677 /nfs/dbraw/zinc/40/26/77/1016402677.db2.gz XBXGPEKHTLBEKU-CQSZACIVSA-N 0 3 313.401 3.820 20 5 DHBDHN Cc1ccc([C@H](C)NCc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548727 1016488977 /nfs/dbraw/zinc/48/89/77/1016488977.db2.gz PRMKSULJMQGTOU-UONOGXRCSA-N 0 3 314.385 3.807 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707077 1016582735 /nfs/dbraw/zinc/58/27/35/1016582735.db2.gz MZEVJNLNXCGNIX-JSGCOSHPSA-N 0 3 322.405 3.623 20 5 DHBDHN CCN(CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000076458679 1016977798 /nfs/dbraw/zinc/97/77/98/1016977798.db2.gz LWDBMOONDQGPES-UHFFFAOYSA-N 0 3 306.387 3.557 20 5 DHBDHN CC1(C)C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)O1 ZINC000773038692 1032535673 /nfs/dbraw/zinc/53/56/73/1032535673.db2.gz BHOGEWMSRQBCTN-ZDUSSCGKSA-N 0 3 312.797 3.684 20 5 DHBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000123187461 1032638480 /nfs/dbraw/zinc/63/84/80/1032638480.db2.gz CXEWDRRBHDJKHJ-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN CCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@@H](C)C1 ZINC000339646871 1012720089 /nfs/dbraw/zinc/72/00/89/1012720089.db2.gz LCOIFOWSGSQSEA-ZIAGYGMSSA-N 0 3 308.426 3.509 20 5 DHBDHN O=[N+]([O-])c1ccc(N2CCc3cnccc32)cc1C(F)(F)F ZINC000339676455 1012750837 /nfs/dbraw/zinc/75/08/37/1012750837.db2.gz KLGGEHCZIHVGMV-UHFFFAOYSA-N 0 3 309.247 3.703 20 5 DHBDHN COC1(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000323925846 1017443229 /nfs/dbraw/zinc/44/32/29/1017443229.db2.gz XCVLIJPMVXHCCX-UHFFFAOYSA-N 0 3 315.373 3.823 20 5 DHBDHN CCC[C@H](C)[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652755 1017606319 /nfs/dbraw/zinc/60/63/19/1017606319.db2.gz KCDVPQGGMZGSOM-LRDDRELGSA-N 0 3 316.405 3.872 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(C)(C)CC1 ZINC000444639644 1017613039 /nfs/dbraw/zinc/61/30/39/1017613039.db2.gz AVCIQCMJDVPMBK-UHFFFAOYSA-N 0 3 316.405 3.872 20 5 DHBDHN C[C@H]1c2c(F)cccc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000523448666 1017702818 /nfs/dbraw/zinc/70/28/18/1017702818.db2.gz DOOJJYSLICMPGE-ZDUSSCGKSA-N 0 3 314.360 3.896 20 5 DHBDHN CCC[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612539152 1017816839 /nfs/dbraw/zinc/81/68/39/1017816839.db2.gz VXNVXUQJPYWWLO-GFCCVEGCSA-N 0 3 303.362 3.891 20 5 DHBDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173232044 1018145632 /nfs/dbraw/zinc/14/56/32/1018145632.db2.gz GUTWWOVCKDAEHG-KPZWWZAWSA-N 0 3 312.369 3.942 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000052306332 1018399665 /nfs/dbraw/zinc/39/96/65/1018399665.db2.gz CYNHBIZJDWAKGY-UHFFFAOYSA-N 0 3 324.380 3.632 20 5 DHBDHN CCCCN(CCCC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000052870258 1019016933 /nfs/dbraw/zinc/01/69/33/1019016933.db2.gz ACIHNBXFCPXVCO-UHFFFAOYSA-N 0 3 321.421 3.744 20 5 DHBDHN Cc1c(CNCc2ccc3c(c2)C[C@@H](C)O3)cccc1[N+](=O)[O-] ZINC000922048696 1019363872 /nfs/dbraw/zinc/36/38/72/1019363872.db2.gz LIJHTAZYZRAKBO-GFCCVEGCSA-N 0 3 312.369 3.516 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370314 1019456565 /nfs/dbraw/zinc/45/65/65/1019456565.db2.gz XTNLSBYLSWTMIF-OCCSQVGLSA-N 0 3 317.414 3.904 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370315 1019457510 /nfs/dbraw/zinc/45/75/10/1019457510.db2.gz XTNLSBYLSWTMIF-TZMCWYRMSA-N 0 3 317.414 3.904 20 5 DHBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000315801818 1019872450 /nfs/dbraw/zinc/87/24/50/1019872450.db2.gz UBMARVFKXFPKEZ-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN O=[N+]([O-])c1ccccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000068836725 1019931331 /nfs/dbraw/zinc/93/13/31/1019931331.db2.gz OQEYFPGQLKYKMP-HNNXBMFYSA-N 0 3 317.414 3.905 20 5 DHBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000126059454 1020372405 /nfs/dbraw/zinc/37/24/05/1020372405.db2.gz GWEIRGXUXJSASV-KRWDZBQOSA-N 0 3 312.369 3.771 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411892665 1020623898 /nfs/dbraw/zinc/62/38/98/1020623898.db2.gz MVAHOFKEAJWLLN-RZAIGCCYSA-N 0 3 312.369 3.558 20 5 DHBDHN COc1cc(C[NH2+]CC2CCCCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000725846386 1020704759 /nfs/dbraw/zinc/70/47/59/1020704759.db2.gz CFMJVDPGKVAOFJ-UHFFFAOYSA-N 0 3 322.405 3.759 20 5 DHBDHN C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276269683 1021142794 /nfs/dbraw/zinc/14/27/94/1021142794.db2.gz ZJRVJEKPWRQYTL-TUAOUCFPSA-N 0 3 316.361 3.579 20 5 DHBDHN C[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000850343650 1021480738 /nfs/dbraw/zinc/48/07/38/1021480738.db2.gz XNAQHWFEALNVBB-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000850442589 1021537135 /nfs/dbraw/zinc/53/71/35/1021537135.db2.gz NAHGJXOOJWCWEB-ZDUSSCGKSA-N 0 3 312.369 3.771 20 5 DHBDHN Cn1cnc2cc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000341319052 1022091992 /nfs/dbraw/zinc/09/19/92/1022091992.db2.gz YITZYFSUPHXWQW-UHFFFAOYSA-N 0 3 324.384 3.506 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001169046327 1022229199 /nfs/dbraw/zinc/22/91/99/1022229199.db2.gz KNNAMVYTQGFPSI-LALPHHSUSA-N 0 3 310.344 3.547 20 5 DHBDHN CCC[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598778 1022312377 /nfs/dbraw/zinc/31/23/77/1022312377.db2.gz DVTKVSNQMWQTPL-LLVKDONJSA-N 0 3 305.403 3.997 20 5 DHBDHN COC1CCC(N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341501960 1022875352 /nfs/dbraw/zinc/87/53/52/1022875352.db2.gz UNQRFYAZDMWRRK-UHFFFAOYSA-N 0 3 312.797 3.638 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1cscn1 ZINC000566689013 1023149540 /nfs/dbraw/zinc/14/95/40/1023149540.db2.gz HZSBRYRAIVJULJ-NEPJUHHUSA-N 0 3 305.403 3.723 20 5 DHBDHN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000746662540 1023774315 /nfs/dbraw/zinc/77/43/15/1023774315.db2.gz DCMCWUNQEBCBCO-UHFFFAOYSA-N 0 3 316.788 3.847 20 5 DHBDHN CCS[C@H]1CCCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787308496 1023786000 /nfs/dbraw/zinc/78/60/00/1023786000.db2.gz SEDSLYPLNJMGHG-ZFWWWQNUSA-N 0 3 312.410 3.888 20 5 DHBDHN CC(C)c1c[nH]c(CNCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000883018063 1024211991 /nfs/dbraw/zinc/21/19/91/1024211991.db2.gz MPUCUYAIYCCKQS-UHFFFAOYSA-N 0 3 316.405 3.554 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)C2CC2)cc1F ZINC000283236993 1024613679 /nfs/dbraw/zinc/61/36/79/1024613679.db2.gz UNUQGEVGIILWKW-KRWDZBQOSA-N 0 3 300.333 3.975 20 5 DHBDHN COc1ccc(C[C@@H](C)N2CC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC001170352594 1024749275 /nfs/dbraw/zinc/74/92/75/1024749275.db2.gz OGDZXLKWWYRMMW-CQSZACIVSA-N 0 3 318.417 3.801 20 5 DHBDHN C[C@H]1CCCC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879190 1024821442 /nfs/dbraw/zinc/82/14/42/1024821442.db2.gz FRBFCSVDLXBYHH-FZMZJTMJSA-N 0 3 307.350 3.514 20 5 DHBDHN COc1cc(CN2C[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884236 1025279465 /nfs/dbraw/zinc/27/94/65/1025279465.db2.gz WIBUCUFZIHWPIH-STQMWFEESA-N 0 3 322.405 3.623 20 5 DHBDHN Cc1ccc(CCCNCc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000354600781 1025464399 /nfs/dbraw/zinc/46/43/99/1025464399.db2.gz KNXHJBCXJCOFPM-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)no1 ZINC000886683088 1025781610 /nfs/dbraw/zinc/78/16/10/1025781610.db2.gz WYHVIAXJTBFTEF-LBPRGKRZSA-N 0 3 315.373 3.571 20 5 DHBDHN CN(Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCCO1 ZINC000076299938 1025867310 /nfs/dbraw/zinc/86/73/10/1025867310.db2.gz LVIPSDOGJWDICK-MRXNPFEDSA-N 0 3 323.392 3.557 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOCC2(CCCC2)C1 ZINC000614222899 1025955783 /nfs/dbraw/zinc/95/57/83/1025955783.db2.gz OUJJNDWEJXDCKS-OAHLLOKOSA-N 0 3 318.417 3.857 20 5 DHBDHN COc1ccc(CN2CC[C@@H](C)C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000357043726 1026291360 /nfs/dbraw/zinc/29/13/60/1026291360.db2.gz RHYWLWBPUDSXNU-CYBMUJFWSA-N 0 3 304.390 3.616 20 5 DHBDHN CC(C)CC1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000808779782 1026390965 /nfs/dbraw/zinc/39/09/65/1026390965.db2.gz AGFZRJZOBSQHCK-QGZVFWFLSA-N 0 3 320.433 3.776 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513483094 1026518699 /nfs/dbraw/zinc/51/86/99/1026518699.db2.gz AVHOERNMVHULDB-OAHLLOKOSA-N 0 3 300.333 3.723 20 5 DHBDHN CCOC(C)(C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811493295 1027011815 /nfs/dbraw/zinc/01/18/15/1027011815.db2.gz IAQOVZWBKPVGFG-UHFFFAOYSA-N 0 3 321.204 3.806 20 5 DHBDHN C[C@H](N[C@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362784 1027521640 /nfs/dbraw/zinc/52/16/40/1027521640.db2.gz YEVLDOSUHFRWPW-SGTLLEGYSA-N 0 3 311.385 3.905 20 5 DHBDHN C[C@@H](NCc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423419806 1027533820 /nfs/dbraw/zinc/53/38/20/1027533820.db2.gz WICCXIZWEUCDRA-CYBMUJFWSA-N 0 3 311.385 3.804 20 5 DHBDHN Cc1cc2occ(CC(=O)OCC(C)[N+](=O)[O-])c2cc1C(C)C ZINC000813114009 1027535441 /nfs/dbraw/zinc/53/54/41/1027535441.db2.gz KXVXZBRWTWDLNC-GFCCVEGCSA-N 0 3 319.357 3.616 20 5 DHBDHN COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158646485 1027600268 /nfs/dbraw/zinc/60/02/68/1027600268.db2.gz SQJIBFLULLKREE-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1cnc([C@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174040 1028414248 /nfs/dbraw/zinc/41/42/48/1028414248.db2.gz GZKMDQQQBVERNH-JQWIXIFHSA-N 0 3 305.403 3.642 20 5 DHBDHN CCc1cnccc1[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600319 1028565172 /nfs/dbraw/zinc/56/51/72/1028565172.db2.gz QLWNZSLRXUHXCH-NEPJUHHUSA-N 0 3 314.389 3.546 20 5 DHBDHN CCCc1nc(C)c(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449338219 1028573360 /nfs/dbraw/zinc/57/33/60/1028573360.db2.gz FWLSFHQKAYRDCY-GFCCVEGCSA-N 0 3 317.389 3.565 20 5 DHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C/C=C\c3ccncc3)C2)cc1 ZINC000449496269 1028709692 /nfs/dbraw/zinc/70/96/92/1028709692.db2.gz GLONTQKYXYMCKX-PFOXWKGBSA-N 0 3 323.396 3.883 20 5 DHBDHN CCc1nocc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449503848 1028723841 /nfs/dbraw/zinc/72/38/41/1028723841.db2.gz UXDFRUONKLHGEU-CQSZACIVSA-N 0 3 315.373 3.525 20 5 DHBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449523971 1028751570 /nfs/dbraw/zinc/75/15/70/1028751570.db2.gz OZIDLQAPKPJNNK-NVXWUHKLSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@]2(CCSC2)C1 ZINC000449731144 1028941587 /nfs/dbraw/zinc/94/15/87/1028941587.db2.gz HKQMCAXDZWBTIT-GPCFVJJQSA-N 0 3 318.442 3.827 20 5 DHBDHN CC[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000568612829 1029099518 /nfs/dbraw/zinc/09/95/18/1029099518.db2.gz GHVFBCAAOSDCPS-KRWDZBQOSA-N 0 3 318.348 3.854 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCSC2)C1 ZINC000451963646 1030068378 /nfs/dbraw/zinc/06/83/78/1030068378.db2.gz HTBWHROUPGRXLH-CJNGLKHVSA-N 0 3 306.431 3.875 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CCSC2)C1 ZINC000451966714 1030074573 /nfs/dbraw/zinc/07/45/73/1030074573.db2.gz POUKIVDFJDMIJO-CJNGLKHVSA-N 0 3 306.431 3.875 20 5 DHBDHN COc1ccc(CN[C@@H]2CCc3cccc(C)c32)cc1[N+](=O)[O-] ZINC000924842623 1030202600 /nfs/dbraw/zinc/20/26/00/1030202600.db2.gz SJTNYLDVDRXVRT-OAHLLOKOSA-N 0 3 312.369 3.689 20 5 DHBDHN C[C@H]1SCC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435280 1030561860 /nfs/dbraw/zinc/56/18/60/1030561860.db2.gz RVGYHYNUZAMFEI-RDDDGLTNSA-N 0 3 321.229 3.885 20 5 DHBDHN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC000824765129 1030628428 /nfs/dbraw/zinc/62/84/28/1030628428.db2.gz HWCPVWWUEYAJPY-NSHDSACASA-N 0 3 323.607 3.922 20 5 DHBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1(Cl)Cl ZINC000824771725 1030630665 /nfs/dbraw/zinc/63/06/65/1030630665.db2.gz COAHRKGWMOYGQA-LLVKDONJSA-N 0 3 323.607 3.922 20 5 DHBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1(Cl)Cl ZINC000824771394 1030631055 /nfs/dbraw/zinc/63/10/55/1030631055.db2.gz BXEAXYXNONWTNA-NSHDSACASA-N 0 3 323.607 3.922 20 5 DHBDHN C[C@H](NCC[C@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126739 1031107800 /nfs/dbraw/zinc/10/78/00/1031107800.db2.gz ZJYOWZJLWAGZDZ-QWHCGFSZSA-N 0 3 322.380 3.876 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000536677280 1031384820 /nfs/dbraw/zinc/38/48/20/1031384820.db2.gz IKIBCHOMUBJWHX-IEBWSBKVSA-N 0 3 308.381 3.757 20 5 DHBDHN C[C@H](N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037719 1031421821 /nfs/dbraw/zinc/42/18/21/1031421821.db2.gz FNZGXYRMUHSJMK-IRHXVLAXSA-N 0 3 322.380 3.588 20 5 DHBDHN C[C@@H](NC1CCC(F)(F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050782 1031438885 /nfs/dbraw/zinc/43/88/85/1031438885.db2.gz FNAPONAZMPCUFA-SECBINFHSA-N 0 3 302.296 3.962 20 5 DHBDHN C[C@H](N[C@@H]1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053039 1031440680 /nfs/dbraw/zinc/44/06/80/1031440680.db2.gz WAMUKUSMSQGPPA-ZOWXZIJZSA-N 0 3 324.396 3.978 20 5 DHBDHN C[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060602 1031453813 /nfs/dbraw/zinc/45/38/13/1031453813.db2.gz RWOGTIVXIKRODU-FRRDWIJNSA-N 0 3 310.369 3.590 20 5 DHBDHN Cc1csc([C@H](C)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062424 1031456276 /nfs/dbraw/zinc/45/62/76/1031456276.db2.gz MQJCVXCRPDHVFX-MWLCHTKSSA-N 0 3 323.393 3.953 20 5 DHBDHN C[C@H](NCCC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063575 1031458639 /nfs/dbraw/zinc/45/86/39/1031458639.db2.gz XSFGVJWRCRKKPR-QWHCGFSZSA-N 0 3 310.369 3.734 20 5 DHBDHN CO[C@@H]([C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078838 1031475167 /nfs/dbraw/zinc/47/51/67/1031475167.db2.gz SPSNCRPZFCUGKA-GDLVEWKHSA-N 0 3 324.446 3.781 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1COC2(CCC2)C1 ZINC000872083813 1031479001 /nfs/dbraw/zinc/47/90/01/1031479001.db2.gz ALCNRQDXXCHZQV-RYUDHWBXSA-N 0 3 322.430 3.679 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1COC(C)(C)C1 ZINC000872084072 1031480889 /nfs/dbraw/zinc/48/08/89/1031480889.db2.gz GHIACKLZGBIKNS-QWRGUYRKSA-N 0 3 310.419 3.535 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1COC(C)(C)C1 ZINC000872084073 1031481795 /nfs/dbraw/zinc/48/17/95/1031481795.db2.gz GHIACKLZGBIKNS-WDEREUQCSA-N 0 3 310.419 3.535 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000872090887 1031487343 /nfs/dbraw/zinc/48/73/43/1031487343.db2.gz FAZRXKILXCTWOB-FBKDDSFISA-N 0 3 310.419 3.533 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872260177 1031565145 /nfs/dbraw/zinc/56/51/45/1031565145.db2.gz KLKHDAYUZDWAIS-KRWDZBQOSA-N 0 3 304.390 3.518 20 5 DHBDHN CC1=C(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845875922 1031747883 /nfs/dbraw/zinc/74/78/83/1031747883.db2.gz LVPMFHUFAMSYPO-XHDPSFHLSA-N 0 3 307.321 3.576 20 5 DHBDHN CC1=C(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845875918 1031748719 /nfs/dbraw/zinc/74/87/19/1031748719.db2.gz LVPMFHUFAMSYPO-ABAIWWIYSA-N 0 3 307.321 3.576 20 5 DHBDHN CC[C@@H](N[C@H](c1cnn(C)c1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000927064952 1033485295 /nfs/dbraw/zinc/48/52/95/1033485295.db2.gz BMZHWMBYZYPPSG-SJORKVTESA-N 0 3 316.405 3.766 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)C[C@H](C)C2)c1F ZINC001173192052 1033583507 /nfs/dbraw/zinc/58/35/07/1033583507.db2.gz HUTIWTZNPMHBJJ-FRRDWIJNSA-N 0 3 324.396 3.651 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)C[C@H](C)C2)c1F ZINC001173192056 1033583654 /nfs/dbraw/zinc/58/36/54/1033583654.db2.gz HUTIWTZNPMHBJJ-XQQFMLRXSA-N 0 3 324.396 3.651 20 5 DHBDHN CCN(CC(C)C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153738878 1033591386 /nfs/dbraw/zinc/59/13/86/1033591386.db2.gz WOHHHCYNILLRJF-LBPRGKRZSA-N 0 3 318.377 3.684 20 5 DHBDHN Cc1csc([C@@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010430 1034183364 /nfs/dbraw/zinc/18/33/64/1034183364.db2.gz UEKLCQWLWFWZRN-GXTWGEPZSA-N 0 3 317.414 3.910 20 5 DHBDHN COc1ccccc1/C=C/CNCc1cccc([N+](=O)[O-])c1C ZINC000480449458 1034253560 /nfs/dbraw/zinc/25/35/60/1034253560.db2.gz YXZOHUSZYHVALT-RMKNXTFCSA-N 0 3 312.369 3.715 20 5 DHBDHN C[C@H]1[C@@H](C(F)(F)F)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768364 1034969909 /nfs/dbraw/zinc/96/99/09/1034969909.db2.gz MNZHOGHAZULYKR-FZMZJTMJSA-N 0 3 316.323 3.800 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOC1CCCCC1 ZINC000568413686 1035323301 /nfs/dbraw/zinc/32/33/01/1035323301.db2.gz NDMYGUCSXWVIPB-MRXNPFEDSA-N 0 3 304.390 3.521 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC2(CCC2)O1 ZINC001194262534 1035894069 /nfs/dbraw/zinc/89/40/69/1035894069.db2.gz PAWKJGCUKHUBDC-MRXNPFEDSA-N 0 3 318.417 3.561 20 5 DHBDHN CCCOC1(CNCc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC001181514292 1035929746 /nfs/dbraw/zinc/92/97/46/1035929746.db2.gz DRXFIFPRGKKHTN-UHFFFAOYSA-N 0 3 324.396 3.953 20 5 DHBDHN CC(C)CCN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628859 1036592927 /nfs/dbraw/zinc/59/29/27/1036592927.db2.gz XYWGOMRMXLVVEG-UHFFFAOYSA-N 0 3 310.785 3.533 20 5 DHBDHN COc1cc(CN(C)C[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001197602140 1036816252 /nfs/dbraw/zinc/81/62/52/1036816252.db2.gz OCUOCRYDPQXIEE-LLVKDONJSA-N 0 3 312.385 3.857 20 5 DHBDHN Cc1ccc(CN[C@H](C)COCC2CCCCC2)cc1[N+](=O)[O-] ZINC001198000537 1036924604 /nfs/dbraw/zinc/92/46/04/1036924604.db2.gz HFEPDYXEIGEACP-OAHLLOKOSA-N 0 3 320.433 3.978 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccc(F)cc1 ZINC000490354601 1037691643 /nfs/dbraw/zinc/69/16/43/1037691643.db2.gz RKDAGGFPRMBCQO-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2cccnc2)CC1 ZINC000589196032 1038447507 /nfs/dbraw/zinc/44/75/07/1038447507.db2.gz BDMWCBONMTZGED-QPJJXVBHSA-N 0 3 323.396 3.883 20 5 DHBDHN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC001191744088 1038541321 /nfs/dbraw/zinc/54/13/21/1038541321.db2.gz YJPCMWJIDNJDDP-HZPDHXFCSA-N 0 3 306.406 3.620 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCC1(C(F)(F)F)CCCC1 ZINC000599013280 1038984877 /nfs/dbraw/zinc/98/48/77/1038984877.db2.gz GMMPVKXIYGHLJG-UHFFFAOYSA-N 0 3 302.296 3.807 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](OC(C)C)C1 ZINC000593053775 1039377973 /nfs/dbraw/zinc/37/79/73/1039377973.db2.gz MGVLPUWRFBJBQZ-GDBMZVCRSA-N 0 3 306.406 3.854 20 5 DHBDHN CN(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000059394237 1039951671 /nfs/dbraw/zinc/95/16/71/1039951671.db2.gz XBVUOHMBZCWXQT-INIZCTEOSA-N 0 3 321.327 3.588 20 5 DHBDHN CS[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698570 1039959579 /nfs/dbraw/zinc/95/95/79/1039959579.db2.gz DUJLLAJBSXTFMS-CMPLNLGQSA-N 0 3 300.811 3.622 20 5 DHBDHN CN(C)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000063263257 1040164414 /nfs/dbraw/zinc/16/44/14/1040164414.db2.gz WDSPXXCPLHMPMM-CYBMUJFWSA-N 0 3 309.366 3.510 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCCO2)CC1 ZINC000595784473 1040251954 /nfs/dbraw/zinc/25/19/54/1040251954.db2.gz ABQGKRVGNJACAH-KSSFIOAISA-N 0 3 318.417 3.937 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000595784471 1040256651 /nfs/dbraw/zinc/25/66/51/1040256651.db2.gz ABQGKRVGNJACAH-KBXCAEBGSA-N 0 3 318.417 3.937 20 5 DHBDHN Cc1c([C@@H](C)N[C@H]2CCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000596652905 1040524728 /nfs/dbraw/zinc/52/47/28/1040524728.db2.gz QVPQPEOGALXTSX-PXAZEXFGSA-N 0 3 311.385 3.824 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000597224400 1040704118 /nfs/dbraw/zinc/70/41/18/1040704118.db2.gz ICAMMXRHGMJUDJ-SFHVURJKSA-N 0 3 318.417 3.684 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCC[C@H]1CCc2ccccc2N1 ZINC000593318597 1040718200 /nfs/dbraw/zinc/71/82/00/1040718200.db2.gz PUZIQHWOJYDQAK-MRXNPFEDSA-N 0 3 311.385 3.501 20 5 DHBDHN O=[N+]([O-])c1cc(CNCC[C@@H]2CCc3ccccc3N2)cs1 ZINC000593319797 1040719595 /nfs/dbraw/zinc/71/95/95/1040719595.db2.gz YDNVWCCXHFMWDT-AWEZNQCLSA-N 0 3 317.414 3.563 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCC3(c4ccccc4)CC3)nc2c1 ZINC000602508496 1041073335 /nfs/dbraw/zinc/07/33/35/1041073335.db2.gz CSXWYXLYPRXAMS-UHFFFAOYSA-N 0 3 323.352 3.557 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)F)nc1 ZINC000602657381 1041144681 /nfs/dbraw/zinc/14/46/81/1041144681.db2.gz FXCBRLRIRSAAQJ-UHFFFAOYSA-N 0 3 321.327 3.602 20 5 DHBDHN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728481 185311603 /nfs/dbraw/zinc/31/16/03/185311603.db2.gz URXHDTAWWGVTFF-MNOVXSKESA-N 0 3 303.362 3.654 20 5 DHBDHN COc1ccsc1[C@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000274584576 130247799 /nfs/dbraw/zinc/24/77/99/130247799.db2.gz LYCLHVVKXPYJAF-NSHDSACASA-N 0 3 306.387 3.558 20 5 DHBDHN CCc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000283981717 131039011 /nfs/dbraw/zinc/03/90/11/131039011.db2.gz GXGKVPLNZJLELL-JTQLQIEISA-N 0 3 305.403 3.652 20 5 DHBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC000518268085 332003257 /nfs/dbraw/zinc/00/32/57/332003257.db2.gz XAIFFLDXUIIPLW-UHFFFAOYSA-N 0 3 313.401 3.519 20 5 DHBDHN Cc1cccc(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000569599562 332192421 /nfs/dbraw/zinc/19/24/21/332192421.db2.gz CMFUAIRXCVKHKH-UHFFFAOYSA-N 0 3 311.385 3.505 20 5 DHBDHN COc1cc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000559431923 332258572 /nfs/dbraw/zinc/25/85/72/332258572.db2.gz MHKLYXURHBLFSG-KBPBESRZSA-N 0 3 304.390 3.614 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628584 333196151 /nfs/dbraw/zinc/19/61/51/333196151.db2.gz UPMKXJQVQMCDSC-HRCADAONSA-N 0 3 306.406 3.839 20 5 DHBDHN CCC[C@H](NC[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086871 333255002 /nfs/dbraw/zinc/25/50/02/333255002.db2.gz QHMXZUMZJVICBJ-CVEARBPZSA-N 0 3 308.422 3.823 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980195 333413154 /nfs/dbraw/zinc/41/31/54/333413154.db2.gz CMOWKODWRZHUTA-XOKHGSTOSA-N 0 3 318.417 3.983 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414292938 333934672 /nfs/dbraw/zinc/93/46/72/333934672.db2.gz BFXNLLDEUMPLGH-CHWSQXEVSA-N 0 3 322.405 3.602 20 5 DHBDHN COC1CCC(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344032976 335210898 /nfs/dbraw/zinc/21/08/98/335210898.db2.gz ANHWYWARCGYRIS-UHFFFAOYSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000344088918 335217055 /nfs/dbraw/zinc/21/70/55/335217055.db2.gz KZCZZMXYZVPJGG-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344111012 335224105 /nfs/dbraw/zinc/22/41/05/335224105.db2.gz TXXOALZGRSINJF-YESZJQIVSA-N 0 3 318.417 3.983 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244735 335629055 /nfs/dbraw/zinc/62/90/55/335629055.db2.gz NITMPUDKPHPKAQ-APHBMKBZSA-N 0 3 304.390 3.593 20 5 DHBDHN CC[C@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332363965 336169823 /nfs/dbraw/zinc/16/98/23/336169823.db2.gz RCPYYAVOBIJQDW-BLLLJJGKSA-N 0 3 320.389 3.520 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCCO2)s1 ZINC000102419607 336287123 /nfs/dbraw/zinc/28/71/23/336287123.db2.gz UYQFATBTYXHKJF-LBPRGKRZSA-N 0 3 318.398 3.592 20 5 DHBDHN CN(C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000301162981 336292743 /nfs/dbraw/zinc/29/27/43/336292743.db2.gz FVRPURWEKHZDRS-OAHLLOKOSA-N 0 3 321.327 3.588 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000301183404 336293764 /nfs/dbraw/zinc/29/37/64/336293764.db2.gz IWMKDWVZVCPMOS-LLVKDONJSA-N 0 3 309.797 3.677 20 5 DHBDHN Cc1c(CN[C@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000353192298 336405993 /nfs/dbraw/zinc/40/59/93/336405993.db2.gz LLBRHXLODOAYDA-GFCCVEGCSA-N 0 3 310.357 3.630 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2CCC(F)(F)CC2)c(Cl)c1 ZINC000390076411 336933683 /nfs/dbraw/zinc/93/36/83/336933683.db2.gz XBTAYDZAJRQKMD-UHFFFAOYSA-N 0 3 304.724 3.916 20 5 DHBDHN CC[C@H](NC[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288141 337255287 /nfs/dbraw/zinc/25/52/87/337255287.db2.gz JSGJNQJLYYHOBW-SJORKVTESA-N 0 3 312.369 3.639 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303879 337255774 /nfs/dbraw/zinc/25/57/74/337255774.db2.gz NCPGXAHHPSYLRK-BBRMVZONSA-N 0 3 312.369 3.558 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCc2c[nH]c3cc(F)ccc23)cs1 ZINC000237723023 337469248 /nfs/dbraw/zinc/46/92/48/337469248.db2.gz GUALQDTTZGUTLR-UHFFFAOYSA-N 0 3 319.361 3.609 20 5 DHBDHN CC[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421392592 337530557 /nfs/dbraw/zinc/53/05/57/337530557.db2.gz XNZUYFXAUDLZHH-NSHDSACASA-N 0 3 305.403 3.854 20 5 DHBDHN CO[C@H]1C[C@H]2C[C@@H](NCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000424275522 337814181 /nfs/dbraw/zinc/81/41/81/337814181.db2.gz BZILTRDYZUZDFM-LAVKHLEISA-N 0 3 324.808 3.541 20 5 DHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@H]1C(F)F ZINC000516190661 338006438 /nfs/dbraw/zinc/00/64/38/338006438.db2.gz CYEHVOSVKOKPJV-VWYCJHECSA-N 0 3 316.373 3.709 20 5 DHBDHN C[C@](O)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313845 338009555 /nfs/dbraw/zinc/00/95/55/338009555.db2.gz XQVLQALWYRJSMG-WMZOPIPTSA-N 0 3 318.417 3.503 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1(O)CCCCCC1 ZINC000426265925 338024129 /nfs/dbraw/zinc/02/41/29/338024129.db2.gz WKQWHUQIGPGWAV-AWEZNQCLSA-N 0 3 306.406 3.673 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]4CCC[C@@H]43)co2)cc1 ZINC000426473124 338033173 /nfs/dbraw/zinc/03/31/73/338033173.db2.gz QNAQDRQHPIIIJQ-WBMJQRKESA-N 0 3 313.357 3.624 20 5 DHBDHN CC(C)(NCCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429237806 338074243 /nfs/dbraw/zinc/07/42/43/338074243.db2.gz PBXACIPWUTVNQR-UHFFFAOYSA-N 0 3 320.339 3.940 20 5 DHBDHN CO[C@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429271094 338075351 /nfs/dbraw/zinc/07/53/51/338075351.db2.gz GJOWRRXZYKNFJH-QGZVFWFLSA-N 0 3 314.385 3.807 20 5 DHBDHN CCS[C@@H]1CCCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429683092 338087331 /nfs/dbraw/zinc/08/73/31/338087331.db2.gz INMHHSYETVMPBI-DZGCQCFKSA-N 0 3 312.410 3.888 20 5 DHBDHN CCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)CO ZINC000430084754 338095389 /nfs/dbraw/zinc/09/53/89/338095389.db2.gz LVMBRZLNHKMRFX-GFCCVEGCSA-N 0 3 320.414 3.526 20 5 DHBDHN COCC(C)(C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430143097 338098998 /nfs/dbraw/zinc/09/89/98/338098998.db2.gz WQSSWIYGLCWVCX-UHFFFAOYSA-N 0 3 318.373 3.712 20 5 DHBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232221 338102346 /nfs/dbraw/zinc/10/23/46/338102346.db2.gz FWGQEWVMCGWENA-UKRRQHHQSA-N 0 3 324.446 3.709 20 5 DHBDHN CC(C)(C)OC1CC(CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000432240156 338149893 /nfs/dbraw/zinc/14/98/93/338149893.db2.gz CFGYTERPDNWLIM-UHFFFAOYSA-N 0 3 324.396 3.807 20 5 DHBDHN CC1(C)C[C@@H](NCCc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000433174911 338183997 /nfs/dbraw/zinc/18/39/97/338183997.db2.gz OGDBCMUUVQSROW-MRXNPFEDSA-N 0 3 300.358 3.743 20 5 DHBDHN CC(C)(C)C[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272316 338188933 /nfs/dbraw/zinc/18/89/33/338188933.db2.gz HPAOMMLXDXHEOQ-CZUORRHYSA-N 0 3 320.433 3.704 20 5 DHBDHN CC(C)(C)C[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298405 338190074 /nfs/dbraw/zinc/19/00/74/338190074.db2.gz OOQKXUVVWMICHO-LRDDRELGSA-N 0 3 320.433 3.704 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCC(C)(C)C)CC1 ZINC000441220154 338405725 /nfs/dbraw/zinc/40/57/25/338405725.db2.gz SKPXIDOUOADJCQ-OAHLLOKOSA-N 0 3 319.449 3.710 20 5 DHBDHN CC(C)CC[C@@](C)(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537991 338555168 /nfs/dbraw/zinc/55/51/68/338555168.db2.gz ACSVKNPOJHACCQ-QZTJIDSGSA-N 0 3 320.433 3.749 20 5 DHBDHN C[C@H](CC(F)(F)F)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599332 338561226 /nfs/dbraw/zinc/56/12/26/338561226.db2.gz JNUUHRSRBSAZBG-NOZJJQNGSA-N 0 3 302.296 3.903 20 5 DHBDHN COc1cc(C[NH2+]CC(C)(C)C2=CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000453588601 338849506 /nfs/dbraw/zinc/84/95/06/338849506.db2.gz ZCSKFMAZTMBYHW-UHFFFAOYSA-N 0 3 320.389 3.535 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1CC(F)(F)C1 ZINC000453589047 338849587 /nfs/dbraw/zinc/84/95/87/338849587.db2.gz MDBROXCIVFTPPY-UHFFFAOYSA-N 0 3 314.332 3.519 20 5 DHBDHN C[C@H]1CC[C@@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624395 338851362 /nfs/dbraw/zinc/85/13/62/338851362.db2.gz CKHHNMZIXGIHQY-WFASDCNBSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1cccc(OCCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000195670126 338913812 /nfs/dbraw/zinc/91/38/12/338913812.db2.gz ZLZDMZLMWULRDY-HNNXBMFYSA-N 0 3 314.385 3.941 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000459431712 339028811 /nfs/dbraw/zinc/02/88/11/339028811.db2.gz SVQPGTOESVPSIK-CAOSSQGBSA-N 0 3 324.446 3.545 20 5 DHBDHN CC(C)OC1CC(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459524961 339034117 /nfs/dbraw/zinc/03/41/17/339034117.db2.gz XANUNLYLRGTSFI-FAEJEUNOSA-N 0 3 318.417 3.730 20 5 DHBDHN C[C@H](CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459785317 339048495 /nfs/dbraw/zinc/04/84/95/339048495.db2.gz ARKWXSHHWSNXTI-OLZOCXBDSA-N 0 3 322.405 3.565 20 5 DHBDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022528 339100816 /nfs/dbraw/zinc/10/08/16/339100816.db2.gz JRCHGEONUWCGNE-UHOFOFEASA-N 0 3 306.406 3.838 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000463086594 339105310 /nfs/dbraw/zinc/10/53/10/339105310.db2.gz IKIBCHOMUBJWHX-HKUYNNGSSA-N 0 3 308.381 3.757 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)C(F)(F)F ZINC000468601552 339266934 /nfs/dbraw/zinc/26/69/34/339266934.db2.gz UZSIOPDHMVLBSC-CDCCAWJDSA-N 0 3 302.296 3.786 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](OCC(C)C)C1 ZINC000470184664 339313335 /nfs/dbraw/zinc/31/33/35/339313335.db2.gz SUFOFGUUVUGPAH-IKFRKZOMSA-N 0 3 318.417 3.745 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCOCC2(CCC2)C1 ZINC000470206047 339314357 /nfs/dbraw/zinc/31/43/57/339314357.db2.gz HRFSDXGIHMGFGD-XNTDXEJSSA-N 0 3 316.401 3.501 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CCCCC1 ZINC000473736238 339391083 /nfs/dbraw/zinc/39/10/83/339391083.db2.gz PBSQPVWEXQZQBX-SFHVURJKSA-N 0 3 320.433 3.746 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1CCCC1 ZINC000473733448 339391094 /nfs/dbraw/zinc/39/10/94/339391094.db2.gz IFOUHIQXPJTDMH-GOSISDBHSA-N 0 3 320.433 3.746 20 5 DHBDHN CCc1cccc(F)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000474808823 339427269 /nfs/dbraw/zinc/42/72/69/339427269.db2.gz LCGRJMLOMNHLRS-UHFFFAOYSA-N 0 3 302.349 3.629 20 5 DHBDHN COC1(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000480657352 339581442 /nfs/dbraw/zinc/58/14/42/339581442.db2.gz FSNRFVHJVVIBCG-AWEZNQCLSA-N 0 3 306.406 3.903 20 5 DHBDHN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480884846 339589509 /nfs/dbraw/zinc/58/95/09/339589509.db2.gz NZYKZCXXDVSIFJ-JKIFEVAISA-N 0 3 306.406 3.841 20 5 DHBDHN COc1cc(CN2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000490026824 339823871 /nfs/dbraw/zinc/82/38/71/339823871.db2.gz APSKLOJBCROXNP-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000505608363 340172761 /nfs/dbraw/zinc/17/27/61/340172761.db2.gz LAKQYZSDNGLSIT-VXGBXAGGSA-N 0 3 311.813 3.781 20 5 DHBDHN CC[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000402563212 340243148 /nfs/dbraw/zinc/24/31/48/340243148.db2.gz KZDAFPSRHPEDME-SECBINFHSA-N 0 3 308.275 3.802 20 5 DHBDHN C[C@H](N[C@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515917 340271946 /nfs/dbraw/zinc/27/19/46/340271946.db2.gz LZLFLIIHQUBPQH-ZFWWWQNUSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933181 340315446 /nfs/dbraw/zinc/31/54/46/340315446.db2.gz MVJWFMAITDETOC-XJKSGUPXSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccncc1F ZINC000510994214 340317382 /nfs/dbraw/zinc/31/73/82/340317382.db2.gz ALVMUYCVCIOKFF-CHWSQXEVSA-N 0 3 317.364 3.801 20 5 DHBDHN C[C@@H]1CSC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868749 340381766 /nfs/dbraw/zinc/38/17/66/340381766.db2.gz HXGOHNIDXPCUNS-BXUZGUMPSA-N 0 3 318.398 3.696 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(C(F)(F)F)CC1 ZINC000512914306 340383759 /nfs/dbraw/zinc/38/37/59/340383759.db2.gz YVBDQHXXINXNOS-XFFZJAGNSA-N 0 3 314.307 3.930 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOc1ccc(F)cc1 ZINC000537918709 340775030 /nfs/dbraw/zinc/77/50/30/340775030.db2.gz GHMZZIWQWSUIQC-CYBMUJFWSA-N 0 3 318.348 3.772 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2SCCc3ccccc32)cc1 ZINC000539531099 340889407 /nfs/dbraw/zinc/88/94/07/340889407.db2.gz NCZYVJNJFOKZIO-QGZVFWFLSA-N 0 3 314.410 3.715 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1cscn1 ZINC000129995596 340992462 /nfs/dbraw/zinc/99/24/62/340992462.db2.gz PJZMZPWIFRFUEE-IUODEOHRSA-N 0 3 317.414 3.552 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)Cc1ccccc1 ZINC000542516848 341011593 /nfs/dbraw/zinc/01/15/93/341011593.db2.gz LHXPHDYGQNFBMQ-CQSZACIVSA-N 0 3 314.385 3.572 20 5 DHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCSC1 ZINC000130531021 341026693 /nfs/dbraw/zinc/02/66/93/341026693.db2.gz PMIFKISZZHYTCW-AWEZNQCLSA-N 0 3 318.398 3.792 20 5 DHBDHN C[C@@H]1CCC[C@H](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481239 341046628 /nfs/dbraw/zinc/04/66/28/341046628.db2.gz SHHUHDRNERMLNJ-ZIAGYGMSSA-N 0 3 303.406 3.564 20 5 DHBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185321 341073297 /nfs/dbraw/zinc/07/32/97/341073297.db2.gz ZTFGACNQUGYVOF-SJKOYZFVSA-N 0 3 316.357 3.512 20 5 DHBDHN CO[C@]1(C)C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000544352910 341077679 /nfs/dbraw/zinc/07/76/79/341077679.db2.gz DTEKIVJMSLZXPG-DZGCQCFKSA-N 0 3 312.797 3.541 20 5 DHBDHN CCC(CC)(CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000545456250 341125698 /nfs/dbraw/zinc/12/56/98/341125698.db2.gz COPMVWAYICPEPX-CYBMUJFWSA-N 0 3 322.405 3.533 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000078613102 341244900 /nfs/dbraw/zinc/24/49/00/341244900.db2.gz PIVRHMURQZVFSM-INIZCTEOSA-N 0 3 317.389 3.991 20 5 DHBDHN C[C@@H]1C[C@H]1c1ccc(CNCCc2ccccc2[N+](=O)[O-])o1 ZINC000548723054 341270649 /nfs/dbraw/zinc/27/06/49/341270649.db2.gz OWXBXUZCLLAEMZ-IUODEOHRSA-N 0 3 300.358 3.644 20 5 DHBDHN CCC(CC)(CC)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000081156861 341280352 /nfs/dbraw/zinc/28/03/52/341280352.db2.gz COGKXGPKBCSJNG-UHFFFAOYSA-N 0 3 318.377 3.703 20 5 DHBDHN CC(C)N(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549770658 341302749 /nfs/dbraw/zinc/30/27/49/341302749.db2.gz WAYNGOWQRFFIAK-UHFFFAOYSA-N 0 3 302.296 3.986 20 5 DHBDHN CC1(C)CC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551520900 341343779 /nfs/dbraw/zinc/34/37/79/341343779.db2.gz UBKWTRQEFQSMPZ-LBPRGKRZSA-N 0 3 302.296 3.892 20 5 DHBDHN COc1cc(CNCC(C)(C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000552273229 341382631 /nfs/dbraw/zinc/38/26/31/341382631.db2.gz ZCRWEOKQUDTTJQ-UHFFFAOYSA-N 0 3 324.421 3.774 20 5 DHBDHN COc1ccc([C@@H](C)[C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000089512007 341405216 /nfs/dbraw/zinc/40/52/16/341405216.db2.gz JZBITHHYGFDSCI-UONOGXRCSA-N 0 3 314.385 3.885 20 5 DHBDHN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000566750215 341567186 /nfs/dbraw/zinc/56/71/86/341567186.db2.gz NHOATKQPSJSHDM-BBRMVZONSA-N 0 3 304.390 3.737 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000154093647 341584533 /nfs/dbraw/zinc/58/45/33/341584533.db2.gz AYTUKJSABMPBON-WBMJQRKESA-N 0 3 324.421 3.705 20 5 DHBDHN CCC[C@H](NCCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000154965234 341599065 /nfs/dbraw/zinc/59/90/65/341599065.db2.gz QYZXFWMRYYPUMR-KRWDZBQOSA-N 0 3 314.385 3.974 20 5 DHBDHN Cc1ccc(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000576341124 341841252 /nfs/dbraw/zinc/84/12/52/341841252.db2.gz VUSBUUCLDRJRRH-QGZVFWFLSA-N 0 3 300.358 3.706 20 5 DHBDHN CC(C)SCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000338305853 519787333 /nfs/dbraw/zinc/78/73/33/519787333.db2.gz MKDHSPNLRVMAIU-UHFFFAOYSA-N 0 3 324.446 3.580 20 5 DHBDHN CC(C)c1ccc(CN[C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339457048 519836227 /nfs/dbraw/zinc/83/62/27/519836227.db2.gz BQFLWDVEDCQUEN-LBPRGKRZSA-N 0 3 315.373 3.670 20 5 DHBDHN CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000131163384 520767330 /nfs/dbraw/zinc/76/73/30/520767330.db2.gz MWROMGRTPUQQRR-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN COc1cc(CNC[C@H]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000339577820 522462636 /nfs/dbraw/zinc/46/26/36/522462636.db2.gz RNIZCPWLKXSYEL-CYBMUJFWSA-N 0 3 322.405 3.528 20 5 DHBDHN CC[C@H](N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016390 522705702 /nfs/dbraw/zinc/70/57/02/522705702.db2.gz KVQKGRGTQBWLLX-WBVHZDCISA-N 0 3 306.406 3.577 20 5 DHBDHN CO[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131500478 523953171 /nfs/dbraw/zinc/95/31/71/523953171.db2.gz XJJYJNOMAQZDBY-CXAGYDPISA-N 0 3 300.358 3.633 20 5 DHBDHN C[C@@H](NC[C@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776856 525499417 /nfs/dbraw/zinc/49/94/17/525499417.db2.gz BVOHDLAQGYOKNP-MLGOLLRUSA-N 0 3 319.430 3.610 20 5 DHBDHN Cc1nc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000127669122 526826536 /nfs/dbraw/zinc/82/65/36/526826536.db2.gz MUXHUULGNTZGHN-NSHDSACASA-N 0 3 305.403 3.561 20 5 DHBDHN Cc1nc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000127745271 526827371 /nfs/dbraw/zinc/82/73/71/526827371.db2.gz CJRBVFYOSGCONM-LBPRGKRZSA-N 0 3 319.430 3.870 20 5 DHBDHN CC(C)c1ccc(CN(C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000120799965 1013342932 /nfs/dbraw/zinc/34/29/32/1013342932.db2.gz CXTGLXVBRUWYPG-UHFFFAOYSA-N 0 3 313.401 3.788 20 5 DHBDHN C[C@H](N[C@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341918 1013949735 /nfs/dbraw/zinc/94/97/35/1013949735.db2.gz JDFYZFSGJPDSIF-GJZGRUSLSA-N 0 3 311.385 3.524 20 5 DHBDHN CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443069028 1014799295 /nfs/dbraw/zinc/79/92/95/1014799295.db2.gz ODUUIMRBRLJJDU-HIFRSBDPSA-N 0 3 306.406 3.718 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CCCCO2)CC1 ZINC000895659122 1015245850 /nfs/dbraw/zinc/24/58/50/1015245850.db2.gz SQPSMXPIZPSGNA-ALCCZGGFSA-N 0 3 316.401 3.643 20 5 DHBDHN CC[C@H]1[C@@H](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644535 1015606484 /nfs/dbraw/zinc/60/64/84/1015606484.db2.gz VJKYQOQMLLSHCO-LRDDRELGSA-N 0 3 315.373 3.870 20 5 DHBDHN CC1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610580767 1015629867 /nfs/dbraw/zinc/62/98/67/1015629867.db2.gz GGEOIQBLICIDKE-UHFFFAOYSA-N 0 3 303.362 3.747 20 5 DHBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000610709510 1015729718 /nfs/dbraw/zinc/72/97/18/1015729718.db2.gz VDWRHFMMYWTTLC-GXTWGEPZSA-N 0 3 317.414 3.731 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000119867505 1016396635 /nfs/dbraw/zinc/39/66/35/1016396635.db2.gz FMWJIOFPAJZQTD-CQSZACIVSA-N 0 3 313.401 3.820 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCCC(=O)OC(C)(C)C ZINC000076416455 1016461241 /nfs/dbraw/zinc/46/12/41/1016461241.db2.gz XIRVZHIVXIVFJR-CYBMUJFWSA-N 0 3 322.405 3.710 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ccc(Cl)o1 ZINC000478353929 1016677064 /nfs/dbraw/zinc/67/70/64/1016677064.db2.gz FEIUVAALYWHHCQ-UHFFFAOYSA-N 0 3 315.156 3.827 20 5 DHBDHN CO[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000072924580 1016996041 /nfs/dbraw/zinc/99/60/41/1016996041.db2.gz DODIAXNHAHAULE-KRWDZBQOSA-N 0 3 318.373 3.615 20 5 DHBDHN CC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000847019723 1032178973 /nfs/dbraw/zinc/17/89/73/1032178973.db2.gz JMQBXVXBDFBGDM-IAGOWNOFSA-N 0 3 318.348 3.508 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCCC(F)(F)C1)CC2 ZINC000514080842 1012262696 /nfs/dbraw/zinc/26/26/96/1012262696.db2.gz YCOTULSVUOYAMI-LBPRGKRZSA-N 0 3 310.344 3.778 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOC[C@H](C2CCC2)C1 ZINC000515184685 1012570845 /nfs/dbraw/zinc/57/08/45/1012570845.db2.gz IJPCXCGUVFJWTL-GDBMZVCRSA-N 0 3 318.417 3.713 20 5 DHBDHN CC[C@H](C)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416237 1012617722 /nfs/dbraw/zinc/61/77/22/1012617722.db2.gz KYOOEOGINMLUEB-VIFPVBQESA-N 0 3 301.184 3.588 20 5 DHBDHN Cc1ccccc1OCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000515550912 1012658578 /nfs/dbraw/zinc/65/85/78/1012658578.db2.gz WWLYQSPNTTZMOO-UHFFFAOYSA-N 0 3 314.385 3.804 20 5 DHBDHN Cc1noc(C)c1CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339645711 1012729242 /nfs/dbraw/zinc/72/92/42/1012729242.db2.gz JRCKHYFHQIHYQX-UHFFFAOYSA-N 0 3 317.389 3.653 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCC[C@H]1CCC2(CCC2)O1 ZINC000897246135 1017198583 /nfs/dbraw/zinc/19/85/83/1017198583.db2.gz PYLMUTDOLJTMCO-CQSZACIVSA-N 0 3 324.808 3.830 20 5 DHBDHN CCC[C@@H](C)[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652758 1017606405 /nfs/dbraw/zinc/60/64/05/1017606405.db2.gz KCDVPQGGMZGSOM-MLGOLLRUSA-N 0 3 316.405 3.872 20 5 DHBDHN CCC[C@@H](NCc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000268907676 1017837057 /nfs/dbraw/zinc/83/70/57/1017837057.db2.gz SKLBSOADOUPWEV-GOSISDBHSA-N 0 3 314.385 3.718 20 5 DHBDHN COc1ccc(-c2ccc(CN3[C@H](C)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000527238455 1018535790 /nfs/dbraw/zinc/53/57/90/1018535790.db2.gz DIWQGKXSTJJHHJ-TXEJJXNPSA-N 0 3 316.357 3.846 20 5 DHBDHN COc1ccc2c(c1)nccc2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000765467403 1018799388 /nfs/dbraw/zinc/79/93/88/1018799388.db2.gz WPYOOGXRMHTWAL-UHFFFAOYSA-N 0 3 323.352 3.788 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCCC2)O1 ZINC000584104264 1018956154 /nfs/dbraw/zinc/95/61/54/1018956154.db2.gz FVVPJEFIFLMPTK-MRXNPFEDSA-N 0 3 318.417 3.561 20 5 DHBDHN CC(C)(C)OCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611211312 1019410841 /nfs/dbraw/zinc/41/08/41/1019410841.db2.gz CMAQBGONEHUYAT-UHFFFAOYSA-N 0 3 306.406 3.764 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@@H]2[C@@H](c3ccccc3)C2(F)F)cs1 ZINC000922774865 1020256551 /nfs/dbraw/zinc/25/65/51/1020256551.db2.gz DSQZXNASQKMGQP-TZMCWYRMSA-N 0 3 324.352 3.795 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264954 1020264910 /nfs/dbraw/zinc/26/49/10/1020264910.db2.gz WABRSGAKGVXMAC-GXTWGEPZSA-N 0 3 303.362 3.729 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000153566840 1020343191 /nfs/dbraw/zinc/34/31/91/1020343191.db2.gz OOQDECNRBCGXDF-CQSZACIVSA-N 0 3 318.417 3.794 20 5 DHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000613184893 1020845600 /nfs/dbraw/zinc/84/56/00/1020845600.db2.gz SKIGMMJKWRUZNB-GXTWGEPZSA-N 0 3 317.414 3.589 20 5 DHBDHN Cc1cccc(F)c1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000742381168 1021108689 /nfs/dbraw/zinc/10/86/89/1021108689.db2.gz QMGUOEDGTZRWQM-VMPITWQZSA-N 0 3 300.333 3.845 20 5 DHBDHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000618679583 1021483624 /nfs/dbraw/zinc/48/36/24/1021483624.db2.gz VOFOSCJTMOMLFG-IUODEOHRSA-N 0 3 303.387 3.514 20 5 DHBDHN CC([C@H](OC(=O)[C@H]1CCC1(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851107904 1021739739 /nfs/dbraw/zinc/73/97/39/1021739739.db2.gz FCNYUTRFLTUAPE-QKCSRTOESA-N 0 3 309.337 3.511 20 5 DHBDHN CCCCN(Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCCC1 ZINC000746044198 1021830759 /nfs/dbraw/zinc/83/07/59/1021830759.db2.gz KBGOJOCGYAJLLW-UHFFFAOYSA-N 0 3 308.426 3.800 20 5 DHBDHN CCN(CCc1cccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746168920 1021887163 /nfs/dbraw/zinc/88/71/63/1021887163.db2.gz ZSWGRPOIWWCAKW-UHFFFAOYSA-N 0 3 308.378 3.860 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000852716835 1022168423 /nfs/dbraw/zinc/16/84/23/1022168423.db2.gz SNTRPAJZOZANIZ-UHFFFAOYSA-N 0 3 319.361 3.515 20 5 DHBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC001168958764 1022202082 /nfs/dbraw/zinc/20/20/82/1022202082.db2.gz PGWWUXOKDDXLPS-VHSXEESVSA-N 0 3 303.189 3.528 20 5 DHBDHN CN(Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005940 1022213082 /nfs/dbraw/zinc/21/30/82/1022213082.db2.gz DKNYITMXFMWXRM-GWCFXTLKSA-N 0 3 317.216 3.871 20 5 DHBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169050177 1022231076 /nfs/dbraw/zinc/23/10/76/1022231076.db2.gz ZDQDLMOLRKYMBW-DETPVDSQSA-N 0 3 310.344 3.547 20 5 DHBDHN CC(=O)N1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC000112119150 1022448241 /nfs/dbraw/zinc/44/82/41/1022448241.db2.gz KYZMOBWQEXGLGB-UHFFFAOYSA-N 0 3 318.420 3.657 20 5 DHBDHN C[C@@H]1C[C@H](C)[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000616123421 1022648174 /nfs/dbraw/zinc/64/81/74/1022648174.db2.gz GCXDAYOQMNJFAX-WOPDTQHZSA-N 0 3 303.362 3.602 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OC(C)C)CC1 ZINC000876630586 1033109029 /nfs/dbraw/zinc/10/90/29/1033109029.db2.gz FBTYDSQJCGABOI-UHFFFAOYSA-N 0 3 306.406 3.601 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](N2CCCCC2)C1 ZINC000770097436 1023274331 /nfs/dbraw/zinc/27/43/31/1023274331.db2.gz TXFBDFAMJLUHDS-CYBMUJFWSA-N 0 3 323.824 3.621 20 5 DHBDHN C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000093503342 1023761278 /nfs/dbraw/zinc/76/12/78/1023761278.db2.gz BXYQVDCFUNIKSB-VXGBXAGGSA-N 0 3 317.414 3.806 20 5 DHBDHN CCS[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787308493 1023785317 /nfs/dbraw/zinc/78/53/17/1023785317.db2.gz SEDSLYPLNJMGHG-UKRRQHHQSA-N 0 3 312.410 3.888 20 5 DHBDHN C[C@H](NCc1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500240 1023895331 /nfs/dbraw/zinc/89/53/31/1023895331.db2.gz ZOUQMAFVWFMLOV-JTQLQIEISA-N 0 3 305.765 3.681 20 5 DHBDHN CC(C)[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788534632 1023908071 /nfs/dbraw/zinc/90/80/71/1023908071.db2.gz HMGTUTMKFZWOFC-CVEARBPZSA-N 0 3 320.414 3.504 20 5 DHBDHN Cc1cc(C)c(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000788571168 1023909116 /nfs/dbraw/zinc/90/91/16/1023909116.db2.gz JTAWXJDBRHSZFW-CQSZACIVSA-N 0 3 313.401 3.953 20 5 DHBDHN COc1ccc(CN[C@H](C)c2sccc2C)cc1[N+](=O)[O-] ZINC000268810474 1024166616 /nfs/dbraw/zinc/16/66/16/1024166616.db2.gz IQOSXNFHYGVPKH-LLVKDONJSA-N 0 3 306.387 3.824 20 5 DHBDHN C[C@H](NCCOC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532225670 1024583276 /nfs/dbraw/zinc/58/32/76/1024583276.db2.gz UXWYWVPUWPYOFS-AWEZNQCLSA-N 0 3 306.406 3.985 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCSCC2)o1 ZINC000349074359 1024669692 /nfs/dbraw/zinc/66/96/92/1024669692.db2.gz MKKCPZIEXYYXFP-UHFFFAOYSA-N 0 3 318.398 3.794 20 5 DHBDHN CCC(CC)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)SC ZINC000877073700 1033229964 /nfs/dbraw/zinc/22/99/64/1033229964.db2.gz QRWNXULACQCWSM-UHFFFAOYSA-N 0 3 323.418 3.747 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000897418766 1024789665 /nfs/dbraw/zinc/78/96/65/1024789665.db2.gz WDCBPCRARMWPIR-SJKOYZFVSA-N 0 3 324.380 3.868 20 5 DHBDHN CC[C@@H](C)[C@@H](C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868213 1024811240 /nfs/dbraw/zinc/81/12/40/1024811240.db2.gz SDTICLKYVXYNEK-VXGBXAGGSA-N 0 3 321.377 3.902 20 5 DHBDHN C[C@@H](NC[C@H]1CCCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000927013228 1033248098 /nfs/dbraw/zinc/24/80/98/1033248098.db2.gz CUYQDBSCAVISJV-ZIAGYGMSSA-N 0 3 304.390 3.737 20 5 DHBDHN C[C@H](CNCc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897460592 1025362492 /nfs/dbraw/zinc/36/24/92/1025362492.db2.gz IJSLQSFQFDNSTQ-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@H](CNCc1ccnc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463765 1025366806 /nfs/dbraw/zinc/36/68/06/1025366806.db2.gz INYJLJOQRKTYSF-SNVBAGLBSA-N 0 3 323.755 3.676 20 5 DHBDHN Cc1ccccc1C[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886012222 1025439424 /nfs/dbraw/zinc/43/94/24/1025439424.db2.gz CHWSMRJVDFRFBU-KRWDZBQOSA-N 0 3 311.385 3.505 20 5 DHBDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156788 1025619614 /nfs/dbraw/zinc/61/96/14/1025619614.db2.gz DPLFDNMEIDNVHM-SJORKVTESA-N 0 3 318.417 3.683 20 5 DHBDHN CC(C)CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000052589169 1026303242 /nfs/dbraw/zinc/30/32/42/1026303242.db2.gz CTCXOFCCYXVJTQ-UHFFFAOYSA-N 0 3 318.377 3.511 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000513472608 1026518665 /nfs/dbraw/zinc/51/86/65/1026518665.db2.gz IBNFULHKRKNJBK-OAHLLOKOSA-N 0 3 300.333 3.723 20 5 DHBDHN CCO[C@@H]1C[C@H](NCc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560654 1026550294 /nfs/dbraw/zinc/55/02/94/1026550294.db2.gz OJBNBVLCQLYHMH-JKSUJKDBSA-N 0 3 322.380 3.561 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC2(C(F)(F)F)CC2)cc1Cl ZINC000809706317 1026598904 /nfs/dbraw/zinc/59/89/04/1026598904.db2.gz UHQSJTFIHKGTEC-UHFFFAOYSA-N 0 3 308.687 3.680 20 5 DHBDHN C[C@@]1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000811483561 1027008564 /nfs/dbraw/zinc/00/85/64/1027008564.db2.gz HNQMJAQZTQWKEO-ZDUSSCGKSA-N 0 3 319.188 3.560 20 5 DHBDHN Cc1noc(CN2CCC[C@@H]2[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274824 1027438945 /nfs/dbraw/zinc/43/89/45/1027438945.db2.gz KQUFMIWVWIPPCU-IUODEOHRSA-N 0 3 315.373 3.659 20 5 DHBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848637 1027446742 /nfs/dbraw/zinc/44/67/42/1027446742.db2.gz LKJXPVPUZPHMHW-RDTXWAMCSA-N 0 3 314.385 3.539 20 5 DHBDHN C[C@H](NCc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423419807 1027537369 /nfs/dbraw/zinc/53/73/69/1027537369.db2.gz WICCXIZWEUCDRA-ZDUSSCGKSA-N 0 3 311.385 3.804 20 5 DHBDHN Cc1noc(CN2CCC[C@@]2(C)Cc2cccs2)c1[N+](=O)[O-] ZINC000932924086 1027652994 /nfs/dbraw/zinc/65/29/94/1027652994.db2.gz WAWXYYDPOFMHJX-HNNXBMFYSA-N 0 3 321.402 3.550 20 5 DHBDHN CC(C)c1ccc(CN2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000448361127 1027757694 /nfs/dbraw/zinc/75/76/94/1027757694.db2.gz VWWGJIGLTGOWPT-HOCLYGCPSA-N 0 3 320.433 3.844 20 5 DHBDHN COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266048 1028050210 /nfs/dbraw/zinc/05/02/10/1028050210.db2.gz ZVJGGGLQDAOSLU-KPZWWZAWSA-N 0 3 312.369 3.942 20 5 DHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(C2CC2)cs1 ZINC000449192197 1028431062 /nfs/dbraw/zinc/43/10/62/1028431062.db2.gz PPQMQMBBVRTUFW-NSHDSACASA-N 0 3 317.414 3.650 20 5 DHBDHN Cc1cccc2[nH]c(CN[C@H](C)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000449207982 1028445723 /nfs/dbraw/zinc/44/57/23/1028445723.db2.gz OSKUWDBWPMWWSF-CYBMUJFWSA-N 0 3 324.384 3.500 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3c(F)cccc32)cc1 ZINC000449351024 1028565455 /nfs/dbraw/zinc/56/54/55/1028565455.db2.gz NPQAQNQHSFQGGY-KRWDZBQOSA-N 0 3 300.333 3.901 20 5 DHBDHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616590 1028571515 /nfs/dbraw/zinc/57/15/15/1028571515.db2.gz SDKKAYFIJDBDBM-PSASIEDQSA-N 0 3 305.300 3.559 20 5 DHBDHN Cc1cc2cc(CN[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000815625671 1028577796 /nfs/dbraw/zinc/57/77/96/1028577796.db2.gz JVIOSBPCWWMBKV-GFCCVEGCSA-N 0 3 324.384 3.818 20 5 DHBDHN CC1(C)OCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449415366 1028611710 /nfs/dbraw/zinc/61/17/10/1028611710.db2.gz NXTVEHSRRQSWMN-INIZCTEOSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccncc1C1=CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371477539 1028718350 /nfs/dbraw/zinc/71/83/50/1028718350.db2.gz MVOZLMJWMKHEIW-UHFFFAOYSA-N 0 3 323.396 3.630 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000449758885 1028964581 /nfs/dbraw/zinc/96/45/81/1028964581.db2.gz HQMZLQNOVSSKIJ-HUUCEWRRSA-N 0 3 312.797 3.686 20 5 DHBDHN C[C@@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496979 1029140005 /nfs/dbraw/zinc/14/00/05/1029140005.db2.gz YOAYCJKEDSDQFX-XFBWCDHKSA-N 0 3 300.333 3.941 20 5 DHBDHN CC[C@H](NCc1ccc2cnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000568941383 1029149395 /nfs/dbraw/zinc/14/93/95/1029149395.db2.gz KMLKQXNMYWWMRR-KRWDZBQOSA-N 0 3 324.384 3.722 20 5 DHBDHN CCC(CC)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000570122922 1029318020 /nfs/dbraw/zinc/31/80/20/1029318020.db2.gz UHXIUTLHILITMW-UHFFFAOYSA-N 0 3 302.378 3.624 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ccncc2)C1 ZINC000451000649 1029762634 /nfs/dbraw/zinc/76/26/34/1029762634.db2.gz GGZPZANJVSZHBU-ZBFHGGJFSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCSC3(CCCCC3)C2)cc1 ZINC000530952636 1030094614 /nfs/dbraw/zinc/09/46/14/1030094614.db2.gz SXNFHAHQBIROBB-UHFFFAOYSA-N 0 3 306.431 3.847 20 5 DHBDHN Cc1c([C@H](C)NCc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358301452 1030428187 /nfs/dbraw/zinc/42/81/87/1030428187.db2.gz PQQDOMTXPKDKLS-ZDUSSCGKSA-N 0 3 312.369 3.784 20 5 DHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000078613022 1031008320 /nfs/dbraw/zinc/00/83/20/1031008320.db2.gz MCEDOGOZNDRSSG-OAHLLOKOSA-N 0 3 303.362 3.683 20 5 DHBDHN C[C@@H](NCC[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126738 1031108838 /nfs/dbraw/zinc/10/88/38/1031108838.db2.gz ZJYOWZJLWAGZDZ-OLZOCXBDSA-N 0 3 322.380 3.876 20 5 DHBDHN C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034977 1031420098 /nfs/dbraw/zinc/42/00/98/1031420098.db2.gz SUXKGMRBDMMZBI-NWDGAFQWSA-N 0 3 318.348 3.721 20 5 DHBDHN CCC(CC)(CCO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039220 1031424182 /nfs/dbraw/zinc/42/41/82/1031424182.db2.gz DQFZBONLAWGAHR-GFCCVEGCSA-N 0 3 312.385 3.573 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1cscn1 ZINC000872044513 1031431828 /nfs/dbraw/zinc/43/18/28/1031431828.db2.gz VFAHSVYSOVTHGT-JTQLQIEISA-N 0 3 323.443 3.667 20 5 DHBDHN CCOCCC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872049011 1031436532 /nfs/dbraw/zinc/43/65/32/1031436532.db2.gz OBKYKCXBDYQVKL-CYBMUJFWSA-N 0 3 324.396 3.981 20 5 DHBDHN Cc1cnc([C@@H](C)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063223 1031459144 /nfs/dbraw/zinc/45/91/44/1031459144.db2.gz VHJHZNBJWYAEBX-ONGXEEELSA-N 0 3 323.393 3.953 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC=CO1 ZINC000872065221 1031460177 /nfs/dbraw/zinc/46/01/77/1031460177.db2.gz VVSXOYXAZSRWQS-YPMHNXCESA-N 0 3 308.403 3.660 20 5 DHBDHN C[C@@H](NC[C@@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069821 1031465035 /nfs/dbraw/zinc/46/50/35/1031465035.db2.gz VMGRPWZHEORYKG-NXEZZACHSA-N 0 3 302.296 3.820 20 5 DHBDHN C[C@@H](NC[C@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077889 1031473674 /nfs/dbraw/zinc/47/36/74/1031473674.db2.gz NGFLHZJBGAJIOK-NEPJUHHUSA-N 0 3 310.369 3.590 20 5 DHBDHN CC[C@@H]1OCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872080127 1031477373 /nfs/dbraw/zinc/47/73/73/1031477373.db2.gz STWGFWSDIWNYCA-GDLCADMTSA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@@H](NCC[C@@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088324 1031485197 /nfs/dbraw/zinc/48/51/97/1031485197.db2.gz PUWFMZGXIKERFF-RKDXNWHRSA-N 0 3 321.179 3.968 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000872090262 1031488414 /nfs/dbraw/zinc/48/84/14/1031488414.db2.gz OVOPVHVZQFWTAW-JVLSTEMRSA-N 0 3 322.430 3.535 20 5 DHBDHN CC(C)N(CCc1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000929338240 1031498185 /nfs/dbraw/zinc/49/81/85/1031498185.db2.gz REOFTFPURPJXJV-UHFFFAOYSA-N 0 3 305.403 3.504 20 5 DHBDHN Cc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872833 1031749186 /nfs/dbraw/zinc/74/91/86/1031749186.db2.gz PMCIPZCJYMDJQP-QMTHXVAHSA-N 0 3 323.345 3.759 20 5 DHBDHN Cc1cscc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881200 1031751606 /nfs/dbraw/zinc/75/16/06/1031751606.db2.gz ZGKFVISVLNJQRA-QMTHXVAHSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)CCCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877629 1031751713 /nfs/dbraw/zinc/75/17/13/1031751713.db2.gz FTMDVXVIZNGKIS-ZBEGNZNMSA-N 0 3 309.337 3.656 20 5 DHBDHN Cc1csc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845881506 1031754036 /nfs/dbraw/zinc/75/40/36/1031754036.db2.gz LLHKKQIYMSJNPP-QMTHXVAHSA-N 0 3 323.345 3.759 20 5 DHBDHN Cc1sccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882685 1031754429 /nfs/dbraw/zinc/75/44/29/1031754429.db2.gz PTFJQNQFGSYBIR-LKFCYVNXSA-N 0 3 323.345 3.759 20 5 DHBDHN CC[C@@H](NCc1cc(N)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000873287887 1031790399 /nfs/dbraw/zinc/79/03/99/1031790399.db2.gz NNCPEGBHGSUIBI-MRXNPFEDSA-N 0 3 303.337 3.557 20 5 DHBDHN CCOC1(C)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877543697 1033347101 /nfs/dbraw/zinc/34/71/01/1033347101.db2.gz KDYJKBTTWOOXGX-UHFFFAOYSA-N 0 3 306.406 3.603 20 5 DHBDHN Cc1csc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000877814849 1033465511 /nfs/dbraw/zinc/46/55/11/1033465511.db2.gz YPBDCWQLVCPNJJ-AWEZNQCLSA-N 0 3 317.414 3.658 20 5 DHBDHN Cc1csc([C@@H]2CCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008869 1034181177 /nfs/dbraw/zinc/18/11/77/1034181177.db2.gz FEUVCIYZTSUUGC-CHWSQXEVSA-N 0 3 317.414 3.910 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2nccs2)C1 ZINC000880318354 1034297743 /nfs/dbraw/zinc/29/77/43/1034297743.db2.gz YCVSEPOFYWYQKR-NEPJUHHUSA-N 0 3 303.387 3.602 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(Cc2cccc3n[nH]cc32)C2CC2)c1 ZINC000600111576 1034746064 /nfs/dbraw/zinc/74/60/64/1034746064.db2.gz JIPYDYOVODTQPA-UHFFFAOYSA-N 0 3 322.368 3.636 20 5 DHBDHN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000483131814 1035231546 /nfs/dbraw/zinc/23/15/46/1035231546.db2.gz RTYMBNAYPOSIBN-UHFFFAOYSA-N 0 3 315.373 3.872 20 5 DHBDHN COC1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000483174328 1035235641 /nfs/dbraw/zinc/23/56/41/1035235641.db2.gz QTPFBFTWYDVMAW-UHFFFAOYSA-N 0 3 318.417 3.909 20 5 DHBDHN C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089888652 1035766030 /nfs/dbraw/zinc/76/60/30/1035766030.db2.gz YDCHOYQJCZRFFA-CYBMUJFWSA-N 0 3 315.373 3.872 20 5 DHBDHN C[C@@H]1CC[C@@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909530 1035793589 /nfs/dbraw/zinc/79/35/89/1035793589.db2.gz JUUXEONIOMPBTQ-VXGBXAGGSA-N 0 3 301.346 3.623 20 5 DHBDHN CC[C@@H](NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000193023940 1035862038 /nfs/dbraw/zinc/86/20/38/1035862038.db2.gz NTRIJRLEXVJJDD-OAHLLOKOSA-N 0 3 314.341 3.564 20 5 DHBDHN COc1cccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000271714297 1036489855 /nfs/dbraw/zinc/48/98/55/1036489855.db2.gz VOGULCZYRLMRPB-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CCCCN(CC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636138 1036598537 /nfs/dbraw/zinc/59/85/37/1036598537.db2.gz UHVLRGLPXHLZCC-UHFFFAOYSA-N 0 3 310.785 3.677 20 5 DHBDHN C[C@@H]1c2sccc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001197431448 1036776462 /nfs/dbraw/zinc/77/64/62/1036776462.db2.gz FJSSGHRBXHIZGA-GFCCVEGCSA-N 0 3 318.398 3.654 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3C[C@H]3C3CCCC3)nc2c1 ZINC001184388401 1036831617 /nfs/dbraw/zinc/83/16/17/1036831617.db2.gz QDCAGYVGQAHVDM-OCCSQVGLSA-N 0 3 315.373 3.652 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCCCO3)o2)c1 ZINC001199905420 1037357055 /nfs/dbraw/zinc/35/70/55/1037357055.db2.gz AKKHNWZCXBTDSM-OAHLLOKOSA-N 0 3 316.357 3.514 20 5 DHBDHN COc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000776252568 1038071973 /nfs/dbraw/zinc/07/19/73/1038071973.db2.gz GRWJKPPFXXPUJJ-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1Cc1ccccc1 ZINC000917007013 1038113688 /nfs/dbraw/zinc/11/36/88/1038113688.db2.gz VXRVHQWERNRISC-KRWDZBQOSA-N 0 3 314.360 3.941 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199938 1038448832 /nfs/dbraw/zinc/44/88/32/1038448832.db2.gz NPLXEGQBYGPFOE-RDJZCZTQSA-N 0 3 318.417 3.542 20 5 DHBDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1ccccc1[N+](=O)[O-] ZINC001191743974 1038541761 /nfs/dbraw/zinc/54/17/61/1038541761.db2.gz XSWAZFNWUIJSAQ-JKSUJKDBSA-N 0 3 306.406 3.620 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccccn2)C1 ZINC000590601958 1038674455 /nfs/dbraw/zinc/67/44/55/1038674455.db2.gz UFHIDMTXLRNZMG-HOCLYGCPSA-N 0 3 311.385 3.930 20 5 DHBDHN CC(C)(NC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000775535896 1038675395 /nfs/dbraw/zinc/67/53/95/1038675395.db2.gz FLIXUWRODDVHIX-SNVBAGLBSA-N 0 3 303.189 3.613 20 5 DHBDHN Cc1ccnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000590757596 1038700320 /nfs/dbraw/zinc/70/03/20/1038700320.db2.gz BODZMGWSENSQID-INIZCTEOSA-N 0 3 311.385 3.678 20 5 DHBDHN CC[C@H](OCCNCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593664609 1038998782 /nfs/dbraw/zinc/99/87/82/1038998782.db2.gz PUMDXYKWMJVKLW-SFHVURJKSA-N 0 3 314.385 3.852 20 5 DHBDHN O=[N+]([O-])c1sccc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000604433066 1039474833 /nfs/dbraw/zinc/47/48/33/1039474833.db2.gz DEHAXKZHJUDUQZ-OAHLLOKOSA-N 0 3 317.414 3.905 20 5 DHBDHN CC1(C)[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000594991148 1040007165 /nfs/dbraw/zinc/00/71/65/1040007165.db2.gz FDPKZAQGIAORFI-NSHDSACASA-N 0 3 304.724 3.629 20 5 DHBDHN COc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000595108149 1040069910 /nfs/dbraw/zinc/06/99/10/1040069910.db2.gz YUCFADWVTZTSOB-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1noc(CN2CC[C@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595544928 1040170156 /nfs/dbraw/zinc/17/01/56/1040170156.db2.gz BYOSKGPFJNLJHZ-CQSZACIVSA-N 0 3 315.373 3.659 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@H]3CC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000608836588 1040624339 /nfs/dbraw/zinc/62/43/39/1040624339.db2.gz WKCFQLIQPLRARY-INIZCTEOSA-N 0 3 316.357 3.752 20 5 DHBDHN CCN(CC)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000064114369 1040670885 /nfs/dbraw/zinc/67/08/85/1040670885.db2.gz LVKSKKIXKDRPHC-OAHLLOKOSA-N 0 3 303.362 3.683 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224011 1040704307 /nfs/dbraw/zinc/70/43/07/1040704307.db2.gz ARRNSUAXFAXBFG-SJLPKXTDSA-N 0 3 318.417 3.684 20 5 DHBDHN CC(C)OCCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602498389 1041062054 /nfs/dbraw/zinc/06/20/54/1041062054.db2.gz JQEVIYMGCABUFX-UHFFFAOYSA-N 0 3 320.311 3.518 20 5 DHBDHN C[C@@H]1SCC[C@@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703980 1041170685 /nfs/dbraw/zinc/17/06/85/1041170685.db2.gz UUDBGPAJDRJSMV-KWQFWETISA-N 0 3 320.336 3.597 20 5 DHBDHN Cc1nn(CN(CCC(C)C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761279130 1041278564 /nfs/dbraw/zinc/27/85/64/1041278564.db2.gz DCKFRDPRDZQUIY-UHFFFAOYSA-N 0 3 316.405 3.721 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728479 185311520 /nfs/dbraw/zinc/31/15/20/185311520.db2.gz URXHDTAWWGVTFF-QWRGUYRKSA-N 0 3 303.362 3.654 20 5 DHBDHN CN(Cc1ccccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000005458589 181246153 /nfs/dbraw/zinc/24/61/53/181246153.db2.gz ZMEMRNCOYGJQKP-UHFFFAOYSA-N 0 3 304.733 3.520 20 5 DHBDHN CC[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Br ZINC000042555435 183283722 /nfs/dbraw/zinc/28/37/22/183283722.db2.gz CXVLWZYYBFCGDL-ZJUUUORDSA-N 0 3 315.211 3.882 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000272129137 130000760 /nfs/dbraw/zinc/00/07/60/130000760.db2.gz VTGBUNXKZDEHRR-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCOCC2)CC1 ZINC000284855390 131115686 /nfs/dbraw/zinc/11/56/86/131115686.db2.gz UGPASQNOLLNTFJ-AWEZNQCLSA-N 0 3 304.390 3.548 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC1CC(c2cc(F)cc(F)c2)C1 ZINC000570761354 332812041 /nfs/dbraw/zinc/81/20/41/332812041.db2.gz YBVREOVKBZNJLS-UHFFFAOYSA-N 0 3 318.323 3.909 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@@H](c2ccccc2)C2CC2)cs1 ZINC000556883751 331748199 /nfs/dbraw/zinc/74/81/99/331748199.db2.gz YDOGVMTXNHNRNA-HNNXBMFYSA-N 0 3 302.399 3.940 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690770 331808843 /nfs/dbraw/zinc/80/88/43/331808843.db2.gz ASSJAXQEYXSSFC-XHDPSFHLSA-N 0 3 321.352 3.868 20 5 DHBDHN Cc1cnc([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174041 331921508 /nfs/dbraw/zinc/92/15/08/331921508.db2.gz GZKMDQQQBVERNH-PWSUYJOCSA-N 0 3 305.403 3.642 20 5 DHBDHN Cc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000363673490 332216404 /nfs/dbraw/zinc/21/64/04/332216404.db2.gz PTRVXJDITWNGHA-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc([C@H](C)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000560582863 332364895 /nfs/dbraw/zinc/36/48/95/332364895.db2.gz KIPJSLYZHICJLD-JTQLQIEISA-N 0 3 302.296 3.896 20 5 DHBDHN Cc1ccc([C@@H](C)NCC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000560582864 332364928 /nfs/dbraw/zinc/36/49/28/332364928.db2.gz KIPJSLYZHICJLD-SNVBAGLBSA-N 0 3 302.296 3.896 20 5 DHBDHN CO[C@H](CNCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525695597 332619036 /nfs/dbraw/zinc/61/90/36/332619036.db2.gz WCAJJPPOJABCCH-MRXNPFEDSA-N 0 3 320.776 3.726 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110004 333001786 /nfs/dbraw/zinc/00/17/86/333001786.db2.gz UIWSLHYKBLEYKR-CZUORRHYSA-N 0 3 312.369 3.558 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628582 333196160 /nfs/dbraw/zinc/19/61/60/333196160.db2.gz UPMKXJQVQMCDSC-ARFHVFGLSA-N 0 3 306.406 3.839 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628583 333196169 /nfs/dbraw/zinc/19/61/69/333196169.db2.gz UPMKXJQVQMCDSC-BZUAXINKSA-N 0 3 306.406 3.839 20 5 DHBDHN CC(C)[C@@H](CC(F)(F)F)NCCOc1ccccc1[N+](=O)[O-] ZINC000445893151 333231904 /nfs/dbraw/zinc/23/19/04/333231904.db2.gz HXRJSOZGIOSOJT-LLVKDONJSA-N 0 3 320.311 3.540 20 5 DHBDHN COCC(C)(C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000319262307 333278865 /nfs/dbraw/zinc/27/88/65/333278865.db2.gz BQBQHYLAXBUTIZ-UHFFFAOYSA-N 0 3 303.362 3.536 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000521425840 333380965 /nfs/dbraw/zinc/38/09/65/333380965.db2.gz NMBUCXKUCJEPDT-GOSISDBHSA-N 0 3 314.360 3.941 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000526063207 333390310 /nfs/dbraw/zinc/39/03/10/333390310.db2.gz QDAXVEIQMDNKKN-SOVRZDNNSA-N 0 3 306.431 3.824 20 5 DHBDHN CCc1ccc(CNCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000531612393 333537926 /nfs/dbraw/zinc/53/79/26/333537926.db2.gz OQFZCDUARKAIAR-UHFFFAOYSA-N 0 3 302.374 3.863 20 5 DHBDHN CO[C@](C)([C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943306 333714761 /nfs/dbraw/zinc/71/47/61/333714761.db2.gz IUMZJIIJGULSOE-ZUZCIYMTSA-N 0 3 312.797 3.541 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222969 334171824 /nfs/dbraw/zinc/17/18/24/334171824.db2.gz IDODAXBMBMFBIS-DEYYWGMASA-N 0 3 314.385 3.676 20 5 DHBDHN C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000388773364 334270015 /nfs/dbraw/zinc/27/00/15/334270015.db2.gz GFWUWAVVRHWXPO-GXSJLCMTSA-N 0 3 317.311 3.508 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858305 334287867 /nfs/dbraw/zinc/28/78/67/334287867.db2.gz HOOMGJVBUYTCNC-TZMCWYRMSA-N 0 3 322.405 3.602 20 5 DHBDHN COC1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417342227 334705666 /nfs/dbraw/zinc/70/56/66/334705666.db2.gz MGDOYCLPTBRINF-INIZCTEOSA-N 0 3 304.390 3.521 20 5 DHBDHN CCc1nc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000343911081 335201576 /nfs/dbraw/zinc/20/15/76/335201576.db2.gz AHAAUCDLYYWWSX-LLVKDONJSA-N 0 3 319.430 3.815 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344111010 335224151 /nfs/dbraw/zinc/22/41/51/335224151.db2.gz TXXOALZGRSINJF-IXDOHACOSA-N 0 3 318.417 3.983 20 5 DHBDHN C[C@H]1CCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113338096 335706171 /nfs/dbraw/zinc/70/61/71/335706171.db2.gz JWDWBFDMYIRLQF-XHDPSFHLSA-N 0 3 317.414 3.997 20 5 DHBDHN Cc1ccc(C)n1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000332454567 336172079 /nfs/dbraw/zinc/17/20/79/336172079.db2.gz NXWMYEIXRKEVIH-UHFFFAOYSA-N 0 3 313.401 3.850 20 5 DHBDHN O=[N+]([O-])c1ccccc1N[C@H](CN1CCCC1)c1ccccc1 ZINC000301057468 336287702 /nfs/dbraw/zinc/28/77/02/336287702.db2.gz BGAAXKTYMVAKEU-QGZVFWFLSA-N 0 3 311.385 3.844 20 5 DHBDHN O=[N+]([O-])c1ccc(N2CCCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000301214088 336295259 /nfs/dbraw/zinc/29/52/59/336295259.db2.gz YVGUXIRASBJDJO-CQSZACIVSA-N 0 3 323.824 3.703 20 5 DHBDHN CN(C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301940191 336339025 /nfs/dbraw/zinc/33/90/25/336339025.db2.gz UHUPKCXLPAJVPQ-CYBMUJFWSA-N 0 3 309.366 3.510 20 5 DHBDHN O=[N+]([O-])c1ccsc1NC[C@H](c1ccccc1)N1CCCC1 ZINC000301982331 336341183 /nfs/dbraw/zinc/34/11/83/336341183.db2.gz HPSISMVGUAILMP-OAHLLOKOSA-N 0 3 317.414 3.905 20 5 DHBDHN Cc1cc(NC[C@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302378985 336357841 /nfs/dbraw/zinc/35/78/41/336357841.db2.gz GGHQYBKFGHJWLY-CYBMUJFWSA-N 0 3 315.373 3.821 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCC1(C(F)(F)F)CC1 ZINC000353032945 336383953 /nfs/dbraw/zinc/38/39/53/336383953.db2.gz HZZYLEJRXJACEJ-HYXAFXHYSA-N 0 3 300.280 3.540 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCC1(C(F)(F)F)CC1 ZINC000353032944 336383993 /nfs/dbraw/zinc/38/39/93/336383993.db2.gz HZZYLEJRXJACEJ-HWKANZROSA-N 0 3 300.280 3.540 20 5 DHBDHN CC[C@H](N[C@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043543 336654956 /nfs/dbraw/zinc/65/49/56/336654956.db2.gz DMFDNPAGQPMERY-HOCLYGCPSA-N 0 3 308.422 3.823 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2cn[nH]c2)CC1 ZINC000368034166 336836276 /nfs/dbraw/zinc/83/62/76/336836276.db2.gz DWAHRPIBVDFPKU-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN CC[C@@H](c1ccccc1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395219 337010309 /nfs/dbraw/zinc/01/03/09/337010309.db2.gz XBRYYSORHFZSSK-WBVHZDCISA-N 0 3 314.389 3.580 20 5 DHBDHN CC[C@H](c1ccccc1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395215 337010352 /nfs/dbraw/zinc/01/03/52/337010352.db2.gz XBRYYSORHFZSSK-DOTOQJQBSA-N 0 3 314.389 3.580 20 5 DHBDHN C[C@H](NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173348901 337134810 /nfs/dbraw/zinc/13/48/10/337134810.db2.gz MJMGNSMJBOYZCZ-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN Cc1c(CN[C@@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602437 337249672 /nfs/dbraw/zinc/24/96/72/337249672.db2.gz XDBXXHGKPMTHLL-XJKSGUPXSA-N 0 3 312.369 3.558 20 5 DHBDHN Cc1c(CN[C@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602420 337249674 /nfs/dbraw/zinc/24/96/74/337249674.db2.gz XDBXXHGKPMTHLL-CJNGLKHVSA-N 0 3 312.369 3.558 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186705807 337258933 /nfs/dbraw/zinc/25/89/33/337258933.db2.gz JOUOSQBQAJLPGC-AUUYWEPGSA-N 0 3 324.380 3.787 20 5 DHBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000396988619 337736867 /nfs/dbraw/zinc/73/68/67/337736867.db2.gz NRCXPZXXYLXJHY-QMMMGPOBSA-N 0 3 310.703 3.926 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCS[C@@H](C)CC1 ZINC000426389400 338030163 /nfs/dbraw/zinc/03/01/63/338030163.db2.gz FDFXPWIBAVPHFZ-ZVHGMHCTSA-N 0 3 306.431 3.826 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000426456835 338032666 /nfs/dbraw/zinc/03/26/66/338032666.db2.gz FISJWOTWGLFNIG-XJKSGUPXSA-N 0 3 304.390 3.756 20 5 DHBDHN Cc1cccc(OCCNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429260691 338075333 /nfs/dbraw/zinc/07/53/33/338075333.db2.gz XUKPJWMJAZEVLO-UHFFFAOYSA-N 0 3 314.385 3.807 20 5 DHBDHN CCS[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000429678618 338087072 /nfs/dbraw/zinc/08/70/72/338087072.db2.gz GBBJSISCRJUZEY-GDBMZVCRSA-N 0 3 324.446 3.757 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(SCCN(C)Cc2ccccc2)n1 ZINC000432915967 338172989 /nfs/dbraw/zinc/17/29/89/338172989.db2.gz IHYQXKJVAULKLK-UHFFFAOYSA-N 0 3 317.414 3.522 20 5 DHBDHN CCOC(C)(C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433091570 338181318 /nfs/dbraw/zinc/18/13/18/338181318.db2.gz OPJMWXJGUFRKJH-HNNXBMFYSA-N 0 3 306.406 3.722 20 5 DHBDHN CCOC(C)(C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433091571 338181342 /nfs/dbraw/zinc/18/13/42/338181342.db2.gz OPJMWXJGUFRKJH-OAHLLOKOSA-N 0 3 306.406 3.722 20 5 DHBDHN CCC(CC)CN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434682829 338223309 /nfs/dbraw/zinc/22/33/09/338223309.db2.gz BEORDTKWTALULJ-UHFFFAOYSA-N 0 3 321.421 3.600 20 5 DHBDHN CCOc1cc(CN2CCSC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000434692204 338223770 /nfs/dbraw/zinc/22/37/70/338223770.db2.gz WPPGXDAJUYUMNS-UHFFFAOYSA-N 0 3 324.446 3.711 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000435751553 338247999 /nfs/dbraw/zinc/24/79/99/338247999.db2.gz SOLZRBYAKIRRSU-SAZUREKKSA-N 0 3 318.323 3.909 20 5 DHBDHN C[C@H](CC(F)(F)F)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599333 338561136 /nfs/dbraw/zinc/56/11/36/338561136.db2.gz JNUUHRSRBSAZBG-RNCFNFMXSA-N 0 3 302.296 3.903 20 5 DHBDHN CC1(C)C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598655 338561175 /nfs/dbraw/zinc/56/11/75/338561175.db2.gz IMCUFWSIOWHGAY-CVEARBPZSA-N 0 3 318.417 3.908 20 5 DHBDHN COC[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136902 338596196 /nfs/dbraw/zinc/59/61/96/338596196.db2.gz CUUJDMCPJDQHAD-RHSMWYFYSA-N 0 3 314.385 3.503 20 5 DHBDHN CC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159714 338597984 /nfs/dbraw/zinc/59/79/84/338597984.db2.gz IJXCTCHXXNLZEF-YPMHNXCESA-N 0 3 305.403 3.723 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000451105893 338721249 /nfs/dbraw/zinc/72/12/49/338721249.db2.gz WPOKFIKXFZRSFY-KBXCAEBGSA-N 0 3 314.385 3.503 20 5 DHBDHN CO[C@](C)(CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000453313157 338823005 /nfs/dbraw/zinc/82/30/05/338823005.db2.gz DRNCFWVLDXIFKN-KBXCAEBGSA-N 0 3 314.385 3.807 20 5 DHBDHN Cc1cc(SCCN(C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461963045 339069905 /nfs/dbraw/zinc/06/99/05/339069905.db2.gz YILCFPCBYKTXLM-UHFFFAOYSA-N 0 3 308.325 3.576 20 5 DHBDHN COc1cc(CN2CCC[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000463509946 339119876 /nfs/dbraw/zinc/11/98/76/339119876.db2.gz UTSVGZZNDSSKAO-ZDUSSCGKSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1cc(CN2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000463509945 339119884 /nfs/dbraw/zinc/11/98/84/339119884.db2.gz UTSVGZZNDSSKAO-CYBMUJFWSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1cc(CN(C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000464501412 339143773 /nfs/dbraw/zinc/14/37/73/339143773.db2.gz VLYRBAIHLJZPMY-GFCCVEGCSA-N 0 3 308.353 3.531 20 5 DHBDHN C[C@@H](NC[C@H](C)Oc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000467862621 339247935 /nfs/dbraw/zinc/24/79/35/339247935.db2.gz IMYGWUYODDCMDA-QWHCGFSZSA-N 0 3 318.348 3.852 20 5 DHBDHN COc1ccc([C@H](C)NCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000467997387 339250732 /nfs/dbraw/zinc/25/07/32/339250732.db2.gz AYJBWULMUIDYCN-LBPRGKRZSA-N 0 3 318.348 3.636 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027505 339251389 /nfs/dbraw/zinc/25/13/89/339251389.db2.gz SPTGRKLPVXPTIQ-VHSXEESVSA-N 0 3 320.311 3.985 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCOCCC(C)C ZINC000468644007 339267908 /nfs/dbraw/zinc/26/79/08/339267908.db2.gz WQHUYKNJKIUMDN-RVDMUPIBSA-N 0 3 306.406 3.650 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCSC(C)(C)C1 ZINC000470169665 339312567 /nfs/dbraw/zinc/31/25/67/339312567.db2.gz HFAJBZLBQVKBJA-UKTHLTGXSA-N 0 3 306.431 3.826 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCOCC2(CCC2)C1 ZINC000470206046 339314361 /nfs/dbraw/zinc/31/43/61/339314361.db2.gz HRFSDXGIHMGFGD-GDNBJRDFSA-N 0 3 316.401 3.501 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479509999 339538634 /nfs/dbraw/zinc/53/86/34/339538634.db2.gz HQUCZGLLOFAECS-HIFRSBDPSA-N 0 3 308.422 3.741 20 5 DHBDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000502596144 340108910 /nfs/dbraw/zinc/10/89/10/340108910.db2.gz OWLZMMAHOCRSRD-ZKYQVNSYSA-N 0 3 314.332 3.796 20 5 DHBDHN Cc1c([C@H](C)N[C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503909048 340136515 /nfs/dbraw/zinc/13/65/15/340136515.db2.gz IQQFUFJJNAUINT-ZKYQVNSYSA-N 0 3 314.332 3.714 20 5 DHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000506761582 340201123 /nfs/dbraw/zinc/20/11/23/340201123.db2.gz ZTBLTRAMQOCVQZ-XQRVVYSFSA-N 0 3 300.333 3.879 20 5 DHBDHN C[C@@H](NCC1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000507246165 340215472 /nfs/dbraw/zinc/21/54/72/340215472.db2.gz HGVACDGYRLKVQN-SNVBAGLBSA-N 0 3 302.296 3.978 20 5 DHBDHN CC[C@@H](C)CN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509359857 340267211 /nfs/dbraw/zinc/26/72/11/340267211.db2.gz SZYOFLQNQIJWHS-SNVBAGLBSA-N 0 3 302.321 3.674 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](COC(F)F)C1 ZINC000512844225 340380490 /nfs/dbraw/zinc/38/04/90/340380490.db2.gz MCBXRHZWJBREKE-RYUDHWBXSA-N 0 3 314.332 3.525 20 5 DHBDHN C[C@H](NCCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178661323 340451298 /nfs/dbraw/zinc/45/12/98/340451298.db2.gz PNPZPHOEVBIXAB-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015356 340562615 /nfs/dbraw/zinc/56/26/15/340562615.db2.gz XGAWACIQFKEUOA-ZUZCIYMTSA-N 0 3 315.373 3.580 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCc1c[nH]c2cc(F)ccc12 ZINC000237722962 340673446 /nfs/dbraw/zinc/67/34/46/340673446.db2.gz KTLLUPDQYZLYDG-UHFFFAOYSA-N 0 3 313.332 3.548 20 5 DHBDHN CC(C)CO[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688251 340676429 /nfs/dbraw/zinc/67/64/29/340676429.db2.gz QVHNQQWZCUKGTM-JKSUJKDBSA-N 0 3 306.406 3.524 20 5 DHBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000538412176 340822138 /nfs/dbraw/zinc/82/21/38/340822138.db2.gz JJBKAZYEXRIXOV-FHSNZYRGSA-N 0 3 312.369 3.638 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000540162044 340919249 /nfs/dbraw/zinc/91/92/49/340919249.db2.gz CLTUAZWOSDEWDA-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCSCC(F)(F)F ZINC000540161900 340919253 /nfs/dbraw/zinc/91/92/53/340919253.db2.gz BACAVSMZUDOKTL-SNVBAGLBSA-N 0 3 322.352 3.849 20 5 DHBDHN Cc1ccc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540174829 340920507 /nfs/dbraw/zinc/92/05/07/340920507.db2.gz AOPRQILEXYITAQ-AWEZNQCLSA-N 0 3 300.358 3.633 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000541555880 340974272 /nfs/dbraw/zinc/97/42/72/340974272.db2.gz PBOFLGCHLWRZFC-JTQLQIEISA-N 0 3 304.724 3.916 20 5 DHBDHN Cc1c([C@@H](C)NCC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000129825348 340986869 /nfs/dbraw/zinc/98/68/69/340986869.db2.gz FQZBBUOPJOUGTA-CQSZACIVSA-N 0 3 306.406 3.639 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1cscn1 ZINC000129995020 340992414 /nfs/dbraw/zinc/99/24/14/340992414.db2.gz PJZMZPWIFRFUEE-WFASDCNBSA-N 0 3 317.414 3.552 20 5 DHBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCSC1 ZINC000130575276 341028761 /nfs/dbraw/zinc/02/87/61/341028761.db2.gz PPSRCNPFMZIHIX-AWEZNQCLSA-N 0 3 318.398 3.792 20 5 DHBDHN CCCC(O)(CCC)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000543404889 341042593 /nfs/dbraw/zinc/04/25/93/341042593.db2.gz QWSSLMHZFTXMRL-UHFFFAOYSA-N 0 3 314.813 3.669 20 5 DHBDHN COCCC(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000544707321 341091599 /nfs/dbraw/zinc/09/15/99/341091599.db2.gz OOZDTERBRDIRAT-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN COC[C@@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237167504 341208472 /nfs/dbraw/zinc/20/84/72/341208472.db2.gz OHEXNRZJXDVEDY-SNVBAGLBSA-N 0 3 324.764 3.633 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000548394776 341258603 /nfs/dbraw/zinc/25/86/03/341258603.db2.gz FNXJFXRLSSWUSB-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508510 341265012 /nfs/dbraw/zinc/26/50/12/341265012.db2.gz JIPODKRWNVFSGX-HSMVNMDESA-N 0 3 314.389 3.624 20 5 DHBDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000247240605 341362547 /nfs/dbraw/zinc/36/25/47/341362547.db2.gz XNVIZLKVCJLPFB-VHSSKADRSA-N 0 3 312.369 3.776 20 5 DHBDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248564633 341380017 /nfs/dbraw/zinc/38/00/17/341380017.db2.gz OKWGBXASYPIDSM-XYPHTWIQSA-N 0 3 306.406 3.839 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCO[C@H](C(C)C)C1 ZINC000552443814 341394134 /nfs/dbraw/zinc/39/41/34/341394134.db2.gz AWMQZGFNFKSRTE-BXBOZWQASA-N 0 3 318.417 3.745 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COc2ccccc21 ZINC000566938792 341572245 /nfs/dbraw/zinc/57/22/45/341572245.db2.gz WEMDLRHYTUMWSZ-UONOGXRCSA-N 0 3 312.369 3.730 20 5 DHBDHN Cc1c([C@H](C)NCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000155257007 341605107 /nfs/dbraw/zinc/60/51/07/341605107.db2.gz CIBUGZWNQLXINI-AWEZNQCLSA-N 0 3 300.358 3.633 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc3occc3c2)cc1 ZINC000576929854 341870307 /nfs/dbraw/zinc/87/03/07/341870307.db2.gz CXFVIHVPHFQKFK-UHFFFAOYSA-N 0 3 312.325 3.510 20 5 DHBDHN CC[C@H](N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016387 522746541 /nfs/dbraw/zinc/74/65/41/522746541.db2.gz KVQKGRGTQBWLLX-RDJZCZTQSA-N 0 3 306.406 3.577 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccccc2c1 ZINC000338362005 522946657 /nfs/dbraw/zinc/94/66/57/522946657.db2.gz SFRANPOVOJJQGS-UHFFFAOYSA-N 0 3 321.380 3.818 20 5 DHBDHN COc1cccc2c1CC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802301 524229891 /nfs/dbraw/zinc/22/98/91/524229891.db2.gz VNJBSFKQZNLYAX-SJKOYZFVSA-N 0 3 312.369 3.942 20 5 DHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000266807667 525614925 /nfs/dbraw/zinc/61/49/25/525614925.db2.gz UKLQFBUDRZKHST-XWCIJXRUSA-N 0 3 318.348 3.507 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000189152085 526078406 /nfs/dbraw/zinc/07/84/06/526078406.db2.gz RVQVIWIBXISFGC-GUYCJALGSA-N 0 3 304.390 3.547 20 5 DHBDHN Cc1nc(CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000130493846 526828985 /nfs/dbraw/zinc/82/89/85/526828985.db2.gz XDXINPUIHZWUIM-LLVKDONJSA-N 0 3 305.403 3.561 20 5 DHBDHN C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276240142 1014892350 /nfs/dbraw/zinc/89/23/50/1014892350.db2.gz UMPTYEFOZJGVDI-UTUOFQBUSA-N 0 3 316.361 3.579 20 5 DHBDHN CC[C@@H]1CCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188179 1033584406 /nfs/dbraw/zinc/58/44/06/1033584406.db2.gz CZNZDQTZAPZBDP-NWDGAFQWSA-N 0 3 310.369 3.548 20 5 DHBDHN COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175986056 1015542825 /nfs/dbraw/zinc/54/28/25/1015542825.db2.gz VAJJJMZVVJWZCD-UHFFFAOYSA-N 0 3 300.358 3.628 20 5 DHBDHN CC(C)C[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581548 1015627694 /nfs/dbraw/zinc/62/76/94/1015627694.db2.gz SAZDPSXXUYQCOX-LBPRGKRZSA-N 0 3 303.362 3.747 20 5 DHBDHN CC[C@@H](C)CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247741763 1015965137 /nfs/dbraw/zinc/96/51/37/1015965137.db2.gz XCSHBYUYNSVHJO-VXGBXAGGSA-N 0 3 318.377 3.684 20 5 DHBDHN CC[C@@H]1CCCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538736459 1016163259 /nfs/dbraw/zinc/16/32/59/1016163259.db2.gz GFMXRYXUGSWJCJ-CQSZACIVSA-N 0 3 322.405 3.767 20 5 DHBDHN CC1(C)C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000119796962 1016352621 /nfs/dbraw/zinc/35/26/21/1016352621.db2.gz IIGPWFXWAATQNO-ZDUSSCGKSA-N 0 3 312.797 3.684 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548717 1016487263 /nfs/dbraw/zinc/48/72/63/1016487263.db2.gz PRMKSULJMQGTOU-ZIAGYGMSSA-N 0 3 314.385 3.807 20 5 DHBDHN CC[C@H](NCc1ccc([C@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552881 1016496016 /nfs/dbraw/zinc/49/60/16/1016496016.db2.gz PLCNNOUKTZQECX-UGSOOPFHSA-N 0 3 314.385 3.889 20 5 DHBDHN CO[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000072924806 1016995886 /nfs/dbraw/zinc/99/58/86/1016995886.db2.gz SKJNUOKOBGNURZ-KRWDZBQOSA-N 0 3 318.373 3.615 20 5 DHBDHN CO[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000072924805 1012023434 /nfs/dbraw/zinc/02/34/34/1012023434.db2.gz SKJNUOKOBGNURZ-QGZVFWFLSA-N 0 3 318.373 3.615 20 5 DHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000064029718 1012263681 /nfs/dbraw/zinc/26/36/81/1012263681.db2.gz KLEQEUYWELICAB-GFCCVEGCSA-N 0 3 309.366 3.510 20 5 DHBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000065586762 1017141566 /nfs/dbraw/zinc/14/15/66/1017141566.db2.gz LAKQYZSDNGLSIT-NEPJUHHUSA-N 0 3 311.813 3.781 20 5 DHBDHN C[C@H](CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000727429302 1019713141 /nfs/dbraw/zinc/71/31/41/1019713141.db2.gz UWUKWTHECSROGY-CQSZACIVSA-N 0 3 324.384 3.638 20 5 DHBDHN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000298679102 1020421783 /nfs/dbraw/zinc/42/17/83/1020421783.db2.gz FCSNPPQDVCXHGE-CYBMUJFWSA-N 0 3 300.358 3.768 20 5 DHBDHN C[C@@H]1CCCCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738227103 1020865371 /nfs/dbraw/zinc/86/53/71/1020865371.db2.gz RGTUWVFOXZIQOD-CQSZACIVSA-N 0 3 314.389 3.680 20 5 DHBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380359 1020884255 /nfs/dbraw/zinc/88/42/55/1020884255.db2.gz RJOXTDGARLKCOB-APPDUMDISA-N 0 3 322.368 3.809 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000170688868 1021001658 /nfs/dbraw/zinc/00/16/58/1021001658.db2.gz RHNORRUFCPBXTA-YOEHRIQHSA-N 0 3 311.385 3.842 20 5 DHBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000742589422 1021139812 /nfs/dbraw/zinc/13/98/12/1021139812.db2.gz HQSYUDNPWLYRSU-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700816 1021148074 /nfs/dbraw/zinc/14/80/74/1021148074.db2.gz MBMRDASMYMHXLX-CHWSQXEVSA-N 0 3 322.405 3.674 20 5 DHBDHN CO[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000850400917 1021510009 /nfs/dbraw/zinc/51/00/09/1021510009.db2.gz QKGJDILDAFRSJG-OAHLLOKOSA-N 0 3 312.797 3.543 20 5 DHBDHN CC(C)(C)OCCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000695263817 1021734362 /nfs/dbraw/zinc/73/43/62/1021734362.db2.gz RWVQCGUUABREQX-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN CN(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068836631 1022767946 /nfs/dbraw/zinc/76/79/46/1022767946.db2.gz XPGXUWKSGPLYEQ-MRXNPFEDSA-N 0 3 321.327 3.588 20 5 DHBDHN CC[C@@H]1CCCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000150749195 1023186321 /nfs/dbraw/zinc/18/63/21/1023186321.db2.gz APYVACLCNFQHEG-OAHLLOKOSA-N 0 3 320.389 3.616 20 5 DHBDHN O=[N+]([O-])c1sccc1NCCCN1CCc2ccccc2C1 ZINC000063258197 1023480991 /nfs/dbraw/zinc/48/09/91/1023480991.db2.gz NEGIPLBJAFQCLG-UHFFFAOYSA-N 0 3 317.414 3.517 20 5 DHBDHN CC[C@H](NC[C@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806048 1024165175 /nfs/dbraw/zinc/16/51/75/1024165175.db2.gz RWLPYPQHDHOSCW-IRXDYDNUSA-N 0 3 318.348 3.508 20 5 DHBDHN CC[C@@H](NC[C@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806050 1024166623 /nfs/dbraw/zinc/16/66/23/1024166623.db2.gz RWLPYPQHDHOSCW-SJORKVTESA-N 0 3 318.348 3.508 20 5 DHBDHN C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1(C)CC1 ZINC000876977570 1033196724 /nfs/dbraw/zinc/19/67/24/1033196724.db2.gz XWGRMHAAYDWYAF-SSDOTTSWSA-N 0 3 319.224 3.697 20 5 DHBDHN COc1ccc(CNC/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000520214678 1024261465 /nfs/dbraw/zinc/26/14/65/1024261465.db2.gz RYKVCMGXZGBZLI-GXDHUFHOSA-N 0 3 312.369 3.797 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1ccns1 ZINC000883247049 1024314961 /nfs/dbraw/zinc/31/49/61/1024314961.db2.gz YDWBVMZVADSVGH-JTQLQIEISA-N 0 3 323.443 3.667 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000105447174 1024380533 /nfs/dbraw/zinc/38/05/33/1024380533.db2.gz VYTQOAFXQASOAY-LLVKDONJSA-N 0 3 320.776 3.675 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2cnn(CN3CCCCCCC3)c2)cc1 ZINC000728895692 1024754847 /nfs/dbraw/zinc/75/48/47/1024754847.db2.gz DOTHYRLLQJTEMJ-UHFFFAOYSA-N 0 3 314.389 3.682 20 5 DHBDHN CCCCOC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349965235 1024776165 /nfs/dbraw/zinc/77/61/65/1024776165.db2.gz FJSHKHMFVHEYQF-UHFFFAOYSA-N 0 3 306.406 3.684 20 5 DHBDHN C[C@H](CNCc1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897469680 1025415906 /nfs/dbraw/zinc/41/59/06/1025415906.db2.gz OOEIFMGOMWPKJJ-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN Cc1cc(N2CC[C@@H](N3CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747218325 1025497233 /nfs/dbraw/zinc/49/72/33/1025497233.db2.gz SUCHYMRYWIYLRP-CYBMUJFWSA-N 0 3 323.824 3.621 20 5 DHBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000886209194 1025558446 /nfs/dbraw/zinc/55/84/46/1025558446.db2.gz HBUNFGAYORRXJB-TXEJJXNPSA-N 0 3 317.311 3.543 20 5 DHBDHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000121950158 1026164236 /nfs/dbraw/zinc/16/42/36/1026164236.db2.gz GEEKDSPKCJTXGH-SJCJKPOMSA-N 0 3 312.369 3.942 20 5 DHBDHN CC[C@H](O)CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481688 1027007875 /nfs/dbraw/zinc/00/78/75/1027007875.db2.gz JRJIJBNNQMTKML-NSHDSACASA-N 0 3 321.204 3.542 20 5 DHBDHN CC(C)OCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471505 1027015011 /nfs/dbraw/zinc/01/50/11/1027015011.db2.gz DQOSSVOZRCVUJO-UHFFFAOYSA-N 0 3 321.204 3.806 20 5 DHBDHN CSCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481179 1027018267 /nfs/dbraw/zinc/01/82/67/1027018267.db2.gz QYRBTVBOZIERBQ-UHFFFAOYSA-N 0 3 309.218 3.744 20 5 DHBDHN COc1cccc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933488 1027344522 /nfs/dbraw/zinc/34/45/22/1027344522.db2.gz GWOYYFLQUIIXRX-PXAZEXFGSA-N 0 3 312.369 3.942 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCCS1 ZINC000158246947 1027459270 /nfs/dbraw/zinc/45/92/70/1027459270.db2.gz SWVDJPYGSHKPKE-GFCCVEGCSA-N 0 3 300.811 3.624 20 5 DHBDHN CC(COC(=O)CC1CCC(c2ccccc2)CC1)[N+](=O)[O-] ZINC000813104258 1027520799 /nfs/dbraw/zinc/52/07/99/1027520799.db2.gz KYJXKBABUDEYCJ-VQCLRJIVSA-N 0 3 305.374 3.559 20 5 DHBDHN C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362783 1027521620 /nfs/dbraw/zinc/52/16/20/1027521620.db2.gz YEVLDOSUHFRWPW-KZULUSFZSA-N 0 3 311.385 3.905 20 5 DHBDHN Cc1cccc2sc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)c21 ZINC000813112148 1027535404 /nfs/dbraw/zinc/53/54/04/1027535404.db2.gz CLJRWNMWSMUUQI-MRVPVSSYSA-N 0 3 313.762 3.685 20 5 DHBDHN COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266050 1028049170 /nfs/dbraw/zinc/04/91/70/1028049170.db2.gz ZVJGGGLQDAOSLU-SGTLLEGYSA-N 0 3 312.369 3.942 20 5 DHBDHN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000217198333 1028218648 /nfs/dbraw/zinc/21/86/48/1028218648.db2.gz YRWPFXZXMIAHDB-KRWDZBQOSA-N 0 3 314.360 3.723 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc2cnn(C)c2c1 ZINC000579183902 1028344028 /nfs/dbraw/zinc/34/40/28/1028344028.db2.gz ZKPLYROFMFGFIC-CYBMUJFWSA-N 0 3 324.384 3.641 20 5 DHBDHN Cc1cccc2c1CC[C@H]2N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591486 1028559844 /nfs/dbraw/zinc/55/98/44/1028559844.db2.gz ITCJTXOAGWVLKV-YVEFUNNKSA-N 0 3 311.385 3.824 20 5 DHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1cscn1 ZINC000566689015 1028766843 /nfs/dbraw/zinc/76/68/43/1028766843.db2.gz HZSBRYRAIVJULJ-RYUDHWBXSA-N 0 3 305.403 3.723 20 5 DHBDHN C[C@@H](Cc1cccc(O)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000449673284 1028899581 /nfs/dbraw/zinc/89/95/81/1028899581.db2.gz ZCWKVDXDAWFBSX-NSHDSACASA-N 0 3 320.776 3.675 20 5 DHBDHN COC1([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000817579722 1029210635 /nfs/dbraw/zinc/21/06/35/1029210635.db2.gz DQFAPRZDJMIBHU-NSHDSACASA-N 0 3 312.797 3.686 20 5 DHBDHN CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451479597 1029880183 /nfs/dbraw/zinc/88/01/83/1029880183.db2.gz NQPJXGKOUJYDHZ-NWANDNLSSA-N 0 3 324.808 3.541 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267032 1030190057 /nfs/dbraw/zinc/19/00/57/1030190057.db2.gz YPSIRSXLIMMHRL-NXEZZACHSA-N 0 3 321.352 3.621 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1CCSCC1 ZINC000290921198 1030250944 /nfs/dbraw/zinc/25/09/44/1030250944.db2.gz QOECFJPJKSPOBS-UHFFFAOYSA-N 0 3 321.229 3.887 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccns1 ZINC000926112932 1030620116 /nfs/dbraw/zinc/62/01/16/1030620116.db2.gz JRQIZOJNHOVWOX-VIFPVBQESA-N 0 3 311.794 3.598 20 5 DHBDHN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC000824765128 1030627673 /nfs/dbraw/zinc/62/76/73/1030627673.db2.gz HWCPVWWUEYAJPY-LLVKDONJSA-N 0 3 323.607 3.922 20 5 DHBDHN CCCC[C@@H](C)N(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000558577427 1030657376 /nfs/dbraw/zinc/65/73/76/1030657376.db2.gz MEUHGRXPPDDAAS-GFCCVEGCSA-N 0 3 310.394 3.623 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)cs1 ZINC000292581782 1031083154 /nfs/dbraw/zinc/08/31/54/1031083154.db2.gz FVZIOSSHNKDMFJ-MQMHXKEQSA-N 0 3 306.362 3.831 20 5 DHBDHN Cc1ccc([C@@H](C)NC2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160549 1031124502 /nfs/dbraw/zinc/12/45/02/1031124502.db2.gz CRPIHKYHLHWGMB-CZUORRHYSA-N 0 3 304.390 3.656 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCCCO1 ZINC000872027822 1031411782 /nfs/dbraw/zinc/41/17/82/1031411782.db2.gz MHCRYLNPBKGVKA-DGCLKSJQSA-N 0 3 310.419 3.536 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1nccs1 ZINC000872027696 1031412264 /nfs/dbraw/zinc/41/22/64/1031412264.db2.gz GCVPXEJFPHVMKL-SNVBAGLBSA-N 0 3 323.443 3.667 20 5 DHBDHN C[C@H](NC1CCC(F)(F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050783 1031438216 /nfs/dbraw/zinc/43/82/16/1031438216.db2.gz FNAPONAZMPCUFA-VIFPVBQESA-N 0 3 302.296 3.962 20 5 DHBDHN COc1ccc([C@H](C)CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000537206325 1031532346 /nfs/dbraw/zinc/53/23/46/1031532346.db2.gz IHTRMIMXFFGXRD-CQSZACIVSA-N 0 3 314.385 3.839 20 5 DHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])oc1C ZINC000845874699 1031749061 /nfs/dbraw/zinc/74/90/61/1031749061.db2.gz IJAJMHLGZAFIFU-BONVTDFDSA-N 0 3 321.304 3.599 20 5 DHBDHN CCC[C@@H]1C[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877000 1031752452 /nfs/dbraw/zinc/75/24/52/1031752452.db2.gz CVHVSEWJVVRPBR-MDHDOXDCSA-N 0 3 309.337 3.511 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1cncs1 ZINC000897932145 1031875710 /nfs/dbraw/zinc/87/57/10/1031875710.db2.gz IHTYCCCUOVUAKQ-HUMZTAOYSA-N 0 3 303.387 3.805 20 5 DHBDHN C[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954780 1032039638 /nfs/dbraw/zinc/03/96/38/1032039638.db2.gz PXUMZDBBFHELGG-AWEZNQCLSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@]1(F)CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172905815 1033438249 /nfs/dbraw/zinc/43/82/49/1033438249.db2.gz UUHYVNNSNZLTPG-PVAVHDDUSA-N 0 3 324.371 3.614 20 5 DHBDHN Cc1cc2c(cn1)CN([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172919888 1033467611 /nfs/dbraw/zinc/46/76/11/1033467611.db2.gz HTPWIVFQMRLZJS-SFHVURJKSA-N 0 3 323.396 3.561 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC001173221193 1033599571 /nfs/dbraw/zinc/59/95/71/1033599571.db2.gz GEPGCMHZCJGDMA-LBPRGKRZSA-N 0 3 302.399 3.646 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)cc2C1 ZINC001173234639 1033609492 /nfs/dbraw/zinc/60/94/92/1033609492.db2.gz SXLZGHFYZGUMEN-ZDUSSCGKSA-N 0 3 314.360 3.723 20 5 DHBDHN CCOCc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643210 1034255418 /nfs/dbraw/zinc/25/54/18/1034255418.db2.gz AWJFBPVZGOCNJB-CQSZACIVSA-N 0 3 314.385 3.982 20 5 DHBDHN Cc1nn(CN(C)[C@H]2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794683322 1034340383 /nfs/dbraw/zinc/34/03/83/1034340383.db2.gz DFXFKWCQWNXWHX-AWEZNQCLSA-N 0 3 316.405 3.721 20 5 DHBDHN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000184643730 1034489802 /nfs/dbraw/zinc/48/98/02/1034489802.db2.gz WBPDZKKEBYVJTB-LBPRGKRZSA-N 0 3 315.373 3.918 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600213446 1034808907 /nfs/dbraw/zinc/80/89/07/1034808907.db2.gz FSTCMECIOWSGJD-NJELEJDNSA-N 0 3 324.380 3.803 20 5 DHBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@H]1OC ZINC001194093280 1035843340 /nfs/dbraw/zinc/84/33/40/1035843340.db2.gz UDSRESFVIYQPKY-IUIKQTSFSA-N 0 3 324.396 3.663 20 5 DHBDHN CC[C@H](NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000193023921 1035862430 /nfs/dbraw/zinc/86/24/30/1035862430.db2.gz NTRIJRLEXVJJDD-HNNXBMFYSA-N 0 3 314.341 3.564 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000539829627 1035888213 /nfs/dbraw/zinc/88/82/13/1035888213.db2.gz PUWYCCHLTAAPSH-WMZOPIPTSA-N 0 3 308.381 3.757 20 5 DHBDHN C[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000152922823 1036065094 /nfs/dbraw/zinc/06/50/94/1036065094.db2.gz FULWTOIFTFIKJW-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN CCC[C@@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC001181988400 1036067170 /nfs/dbraw/zinc/06/71/70/1036067170.db2.gz ZYLAVFSDALHNPE-LBPRGKRZSA-N 0 3 320.311 3.518 20 5 DHBDHN Cc1noc(CN2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558962 1036233934 /nfs/dbraw/zinc/23/39/34/1036233934.db2.gz RMDKHNONOLJFMC-STQMWFEESA-N 0 3 307.394 3.539 20 5 DHBDHN COc1cccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000271714299 1036490133 /nfs/dbraw/zinc/49/01/33/1036490133.db2.gz VOGULCZYRLMRPB-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C/C=C/C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606747 1036572559 /nfs/dbraw/zinc/57/25/59/1036572559.db2.gz WOEHUBWSFRODOM-RDFMZFSFSA-N 0 3 304.390 3.782 20 5 DHBDHN COc1ccc(CN[C@H]2C[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902792 1036643399 /nfs/dbraw/zinc/64/33/99/1036643399.db2.gz VYYACGRXGPELGD-WBMJQRKESA-N 0 3 312.369 3.942 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186405361 1037390100 /nfs/dbraw/zinc/39/01/00/1037390100.db2.gz KACVZGOSHUGNAP-PWSUYJOCSA-N 0 3 309.391 3.791 20 5 DHBDHN COc1cccc(C2(NC/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000150890043 1037525239 /nfs/dbraw/zinc/52/52/39/1037525239.db2.gz BZQGGUVOGSPYKR-FNORWQNLSA-N 0 3 324.380 3.896 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C1CC1 ZINC000609195608 1038073105 /nfs/dbraw/zinc/07/31/05/1038073105.db2.gz RZFHFKTWGCHWFM-MRXNPFEDSA-N 0 3 304.390 3.756 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590601957 1038676401 /nfs/dbraw/zinc/67/64/01/1038676401.db2.gz UFHIDMTXLRNZMG-GOEBONIOSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cs1 ZINC000598989913 1038969165 /nfs/dbraw/zinc/96/91/65/1038969165.db2.gz VNSOJJCJOXAHKB-VHDGCEQUSA-N 0 3 320.801 3.738 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CNC3(C4CCC4)CC3)co2)cc1 ZINC000593083066 1039430059 /nfs/dbraw/zinc/43/00/59/1039430059.db2.gz UGEUFQASEFEIMV-UHFFFAOYSA-N 0 3 313.357 3.672 20 5 DHBDHN COc1ccccc1CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000075716790 1039483135 /nfs/dbraw/zinc/48/31/35/1039483135.db2.gz RNSPRZHETKNQOT-AWEZNQCLSA-N 0 3 314.385 3.839 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](OC2CCC2)C1 ZINC000594027744 1039954636 /nfs/dbraw/zinc/95/46/36/1039954636.db2.gz ZFXLKPYNJPRCOU-WMLDXEAASA-N 0 3 318.417 3.998 20 5 DHBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594043810 1040014622 /nfs/dbraw/zinc/01/46/22/1040014622.db2.gz OYEKVMXBEROQCP-HUUCEWRRSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC(C)(C)OC1(C)C ZINC000595034029 1040042600 /nfs/dbraw/zinc/04/26/00/1040042600.db2.gz ORKTWIGTNOKCSR-XHDPSFHLSA-N 0 3 322.405 3.600 20 5 DHBDHN COCc1csc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000595079828 1040073426 /nfs/dbraw/zinc/07/34/26/1040073426.db2.gz ZGWWIWYHAUMCBS-GFCCVEGCSA-N 0 3 320.414 3.962 20 5 DHBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(F)CC1 ZINC000595818311 1040249350 /nfs/dbraw/zinc/24/93/50/1040249350.db2.gz GZQPHCAFODJTPZ-VOMCLLRMSA-N 0 3 321.352 3.742 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC3CCC4(CC4)CC3)nc2c1 ZINC000602635461 1041136625 /nfs/dbraw/zinc/13/66/25/1041136625.db2.gz YYDQHQUCNPECAG-UHFFFAOYSA-N 0 3 301.346 3.548 20 5 DHBDHN C[C@H]1SCC[C@@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703979 1041170459 /nfs/dbraw/zinc/17/04/59/1041170459.db2.gz UUDBGPAJDRJSMV-KCJUWKMLSA-N 0 3 320.336 3.597 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC=CCC3)cs2)c1 ZINC000076771150 185039211 /nfs/dbraw/zinc/03/92/11/185039211.db2.gz AJOLAKSDWIMOFM-ZDUSSCGKSA-N 0 3 315.398 3.917 20 5 DHBDHN CC[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Br ZINC000042555430 183283860 /nfs/dbraw/zinc/28/38/60/183283860.db2.gz CXVLWZYYBFCGDL-NXEZZACHSA-N 0 3 315.211 3.882 20 5 DHBDHN CC(C)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000119651846 195010286 /nfs/dbraw/zinc/01/02/86/195010286.db2.gz OJWCGXHDACQDOO-UHFFFAOYSA-N 0 3 312.797 3.638 20 5 DHBDHN C[C@H]1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123067 130091015 /nfs/dbraw/zinc/09/10/15/130091015.db2.gz ZZMXQHJRDSBMOV-RYUDHWBXSA-N 0 3 312.797 3.543 20 5 DHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC(F)(F)C1 ZINC000277067681 130576767 /nfs/dbraw/zinc/57/67/67/130576767.db2.gz INNSHHYUHVSIMU-JTQLQIEISA-N 0 3 316.373 3.853 20 5 DHBDHN Cc1nc(C)c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278644122 130709698 /nfs/dbraw/zinc/70/96/98/130709698.db2.gz HSPNOBZAUKWSTE-OAHLLOKOSA-N 0 3 317.414 3.835 20 5 DHBDHN Cc1ccnc([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000286180093 131223988 /nfs/dbraw/zinc/22/39/88/131223988.db2.gz QIRGXYKOJNEJIU-GFCCVEGCSA-N 0 3 319.792 3.845 20 5 DHBDHN CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289365416 131379066 /nfs/dbraw/zinc/37/90/66/131379066.db2.gz ATMUBYBWVAHOIL-CQSZACIVSA-N 0 3 310.369 3.513 20 5 DHBDHN COCc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000121424597 132155592 /nfs/dbraw/zinc/15/55/92/132155592.db2.gz WNVLAAPKABGZFV-CYBMUJFWSA-N 0 3 300.358 3.592 20 5 DHBDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000538445160 331611032 /nfs/dbraw/zinc/61/10/32/331611032.db2.gz GXTZSNCKGNKSJG-YVEFUNNKSA-N 0 3 318.348 3.600 20 5 DHBDHN CC[C@@H](NCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000078635496 331675090 /nfs/dbraw/zinc/67/50/90/331675090.db2.gz NCQAJGBFFPWXAL-QGZVFWFLSA-N 0 3 300.358 3.844 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000558257269 331889968 /nfs/dbraw/zinc/88/99/68/331889968.db2.gz YARGJOULRRTPFA-KBPBESRZSA-N 0 3 314.307 3.892 20 5 DHBDHN C[C@@H](c1ccco1)N(CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235954 332019660 /nfs/dbraw/zinc/01/96/60/332019660.db2.gz MFLKQMYGTQDPJL-ZDUSSCGKSA-N 0 3 300.358 3.956 20 5 DHBDHN CCOCC(C)(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559323241 332025370 /nfs/dbraw/zinc/02/53/70/332025370.db2.gz XASVHFCKORAUGY-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN CC1(F)CC(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449371659 332084805 /nfs/dbraw/zinc/08/48/05/332084805.db2.gz XIDQOZRNVAOJAC-UHFFFAOYSA-N 0 3 304.321 3.835 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCc1cccc(F)c1F ZINC000565217460 332645869 /nfs/dbraw/zinc/64/58/69/332645869.db2.gz LSQOXMTWQRMHRK-OAHLLOKOSA-N 0 3 318.323 3.693 20 5 DHBDHN CC(C)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535556158 335125447 /nfs/dbraw/zinc/12/54/47/335125447.db2.gz MXMCQHSEPFETEE-CQSZACIVSA-N 0 3 315.373 3.728 20 5 DHBDHN Cc1cnc(CCN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182933529 333181534 /nfs/dbraw/zinc/18/15/34/333181534.db2.gz DEZQIHLSYKEGRZ-ZDUSSCGKSA-N 0 3 319.430 3.904 20 5 DHBDHN CCC[C@@H](NC[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086877 333254975 /nfs/dbraw/zinc/25/49/75/333254975.db2.gz QHMXZUMZJVICBJ-HZPDHXFCSA-N 0 3 308.422 3.823 20 5 DHBDHN COCc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119577492 333255629 /nfs/dbraw/zinc/25/56/29/333255629.db2.gz ZYYYHENGTUAVGY-CYBMUJFWSA-N 0 3 300.358 3.592 20 5 DHBDHN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186613089 333375374 /nfs/dbraw/zinc/37/53/74/333375374.db2.gz ZWZJQUUSVVNNMT-ZDUSSCGKSA-N 0 3 314.385 3.673 20 5 DHBDHN CC(C)c1ccc(CN(C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343458260 335166044 /nfs/dbraw/zinc/16/60/44/335166044.db2.gz CAGFWZHMFKMUKF-HNNXBMFYSA-N 0 3 306.406 3.719 20 5 DHBDHN CC(C)(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OCC1CC1 ZINC000414250535 333920572 /nfs/dbraw/zinc/92/05/72/333920572.db2.gz BGOKKBCOOYIQPG-QGZVFWFLSA-N 0 3 318.417 3.767 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC(F)(F)C1 ZINC000281369770 334125465 /nfs/dbraw/zinc/12/54/65/334125465.db2.gz GBQIQJDEBKVKOZ-SECBINFHSA-N 0 3 304.724 3.773 20 5 DHBDHN Cc1ccc(CN[C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414915370 334176797 /nfs/dbraw/zinc/17/67/97/334176797.db2.gz MKZNFAPACITOAH-QGZVFWFLSA-N 0 3 311.385 3.653 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCC(C)(F)F ZINC000295965476 334228958 /nfs/dbraw/zinc/22/89/58/334228958.db2.gz IBRQOIUDCLJPGK-UHFFFAOYSA-N 0 3 302.321 3.519 20 5 DHBDHN CC[C@@H](NC[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925807 335202542 /nfs/dbraw/zinc/20/25/42/335202542.db2.gz IMSHNRCCNWAUMP-RHSMWYFYSA-N 0 3 312.369 3.812 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339226 335242382 /nfs/dbraw/zinc/24/23/82/335242382.db2.gz WGTZJKLPPSBTQU-APHBMKBZSA-N 0 3 304.390 3.593 20 5 DHBDHN C[C@H]1OCC[C@]1(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344382707 335248694 /nfs/dbraw/zinc/24/86/94/335248694.db2.gz AZXZYAIJZVYTHN-PXAZEXFGSA-N 0 3 316.357 3.512 20 5 DHBDHN COc1ccc(-c2ccc(CN3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000535839811 335792490 /nfs/dbraw/zinc/79/24/90/335792490.db2.gz LNRICHOOVQANND-UHFFFAOYSA-N 0 3 316.357 3.849 20 5 DHBDHN Cc1c(CN[C@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000445889540 338514536 /nfs/dbraw/zinc/51/45/36/338514536.db2.gz GSTVXSXCYVLTNI-GFCCVEGCSA-N 0 3 304.312 3.970 20 5 DHBDHN CC[C@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210070 336162791 /nfs/dbraw/zinc/16/27/91/336162791.db2.gz VMIOCNYWMFDBAP-WCQYABFASA-N 0 3 302.378 3.530 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(F)c1)CCC2 ZINC000192636056 336204852 /nfs/dbraw/zinc/20/48/52/336204852.db2.gz XEFVBFDPAIIKAX-KRWDZBQOSA-N 0 3 300.333 3.901 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@]2(CCCOC2)C1 ZINC000352546539 336223930 /nfs/dbraw/zinc/22/39/30/336223930.db2.gz WRBFQRBAVPKMGZ-CRAIPNDOSA-N 0 3 318.417 3.857 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000301446489 336307323 /nfs/dbraw/zinc/30/73/23/336307323.db2.gz QAEJNJZDYLVYGF-MRXNPFEDSA-N 0 3 315.373 3.745 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N(C)C)c1 ZINC000301551909 336314348 /nfs/dbraw/zinc/31/43/48/336314348.db2.gz HCXAMOMUKWZNDB-AWEZNQCLSA-N 0 3 305.403 3.680 20 5 DHBDHN CN1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301823997 336332487 /nfs/dbraw/zinc/33/24/87/336332487.db2.gz CWJXOKGXMVIJPK-NVXWUHKLSA-N 0 3 315.348 3.591 20 5 DHBDHN Cc1cc(NCCc2ccncc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302075671 336347200 /nfs/dbraw/zinc/34/72/00/336347200.db2.gz IWIDHMMCVQWVOV-UHFFFAOYSA-N 0 3 322.368 3.809 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNCCc1ccc(Cl)cc1 ZINC000314755610 336383140 /nfs/dbraw/zinc/38/31/40/336383140.db2.gz FUOPFXBKVDPJGZ-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000356274846 336543808 /nfs/dbraw/zinc/54/38/08/336543808.db2.gz RYMUGHXQOVMPLQ-PXAZEXFGSA-N 0 3 318.348 3.600 20 5 DHBDHN CC[C@@H](NCCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358007999 336605793 /nfs/dbraw/zinc/60/57/93/336605793.db2.gz ADHNZNALWAFKKI-QGZVFWFLSA-N 0 3 318.348 3.854 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368087709 336837654 /nfs/dbraw/zinc/83/76/54/336837654.db2.gz CCJSXFUJFJYDOJ-AEFFLSMTSA-N 0 3 312.369 3.605 20 5 DHBDHN Cc1c(CN2CCC([C@H]3CCCOC3)CC2)cccc1[N+](=O)[O-] ZINC000371626360 336909334 /nfs/dbraw/zinc/90/93/34/336909334.db2.gz GJOLKKSIKQRSEL-KRWDZBQOSA-N 0 3 318.417 3.542 20 5 DHBDHN CC(C)(COCc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000389963260 336929676 /nfs/dbraw/zinc/92/96/76/336929676.db2.gz QOQMFOIPSNJENT-UHFFFAOYSA-N 0 3 314.385 3.680 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2CCOC2)CC1 ZINC000376342287 337031784 /nfs/dbraw/zinc/03/17/84/337031784.db2.gz WYHBZVCZAFDJEV-GDBMZVCRSA-N 0 3 318.417 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCc2ccccc2-c2ccncc2)cc1 ZINC000377672884 337058058 /nfs/dbraw/zinc/05/80/58/337058058.db2.gz MSWQOACZVHJPQD-UHFFFAOYSA-N 0 3 319.364 3.947 20 5 DHBDHN Cc1nc(SCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000193744409 337079364 /nfs/dbraw/zinc/07/93/64/337079364.db2.gz AVSHDGIVSMTKSA-UHFFFAOYSA-N 0 3 317.414 3.522 20 5 DHBDHN Cc1ccc(CNCc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000192977046 337308759 /nfs/dbraw/zinc/30/87/59/337308759.db2.gz RXRHKZVKPTXMIB-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN C[C@@H](NCCOc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000536830033 337734192 /nfs/dbraw/zinc/73/41/92/337734192.db2.gz BHFXNPLNNLXMSQ-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305118 337929931 /nfs/dbraw/zinc/92/99/31/337929931.db2.gz CIUXWEOLPZLOHO-XOKHGSTOSA-N 0 3 318.417 3.983 20 5 DHBDHN CCOC1(C)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000430101884 338096675 /nfs/dbraw/zinc/09/66/75/338096675.db2.gz XGMMHTPDWWLPDF-QINSGFPZSA-N 0 3 318.417 3.889 20 5 DHBDHN CSC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430192894 338100555 /nfs/dbraw/zinc/10/05/55/338100555.db2.gz DRCSSUOYQRFSPH-PODYEWJSSA-N 0 3 306.431 3.683 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H](C)c1ccccc1 ZINC000430216818 338101807 /nfs/dbraw/zinc/10/18/07/338101807.db2.gz IFPJWAGULJXYGO-KBPBESRZSA-N 0 3 314.385 3.885 20 5 DHBDHN CC(C)(C)C[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272317 338188910 /nfs/dbraw/zinc/18/89/10/338188910.db2.gz HPAOMMLXDXHEOQ-XJKSGUPXSA-N 0 3 320.433 3.704 20 5 DHBDHN CO[C@H]1CCCC[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000441218929 338405479 /nfs/dbraw/zinc/40/54/79/338405479.db2.gz VAGYWHYEBQPBKS-RDJZCZTQSA-N 0 3 306.406 3.765 20 5 DHBDHN CC[C@@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853864 338538640 /nfs/dbraw/zinc/53/86/40/338538640.db2.gz SVNVRKPPNNNAKB-AWEZNQCLSA-N 0 3 324.384 3.582 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCOC1CCCCC1)CCC2 ZINC000447530747 338554495 /nfs/dbraw/zinc/55/44/95/338554495.db2.gz PIKKHIOTSCFZJJ-GOSISDBHSA-N 0 3 318.417 3.911 20 5 DHBDHN CO[C@](C)(CN[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000453313160 338822900 /nfs/dbraw/zinc/82/29/00/338822900.db2.gz DRNCFWVLDXIFKN-RDTXWAMCSA-N 0 3 314.385 3.807 20 5 DHBDHN Cc1oc2ccccc2c1CCNCc1cccc([N+](=O)[O-])c1 ZINC000463723689 339124627 /nfs/dbraw/zinc/12/46/27/339124627.db2.gz BHLFWHBAFGGQNK-UHFFFAOYSA-N 0 3 310.353 3.982 20 5 DHBDHN COc1cc(CN[C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464493030 339143509 /nfs/dbraw/zinc/14/35/09/339143509.db2.gz FMXSIACXOWJMGC-CDMJZVDBSA-N 0 3 310.369 3.657 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000464845769 339157220 /nfs/dbraw/zinc/15/72/20/339157220.db2.gz HFMFXSHOPUEXBA-KBPBESRZSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@H](COc1cccc(F)c1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467837136 339247323 /nfs/dbraw/zinc/24/73/23/339247323.db2.gz XSEMVSWXYJNGDD-CHWSQXEVSA-N 0 3 318.348 3.852 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000467850347 339247673 /nfs/dbraw/zinc/24/76/73/339247673.db2.gz KFIXYRVKYDCDPQ-STQMWFEESA-N 0 3 318.348 3.852 20 5 DHBDHN CCOc1ccccc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000468005988 339250986 /nfs/dbraw/zinc/25/09/86/339250986.db2.gz RMGHTYHSXDMRFG-AWEZNQCLSA-N 0 3 314.385 3.887 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(F)c1 ZINC000468646875 339267880 /nfs/dbraw/zinc/26/78/80/339267880.db2.gz ZRMMJBOHBYVBOW-JYRVWZFOSA-N 0 3 300.333 3.927 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCSC(C)(C)C1 ZINC000470169664 339312488 /nfs/dbraw/zinc/31/24/88/339312488.db2.gz HFAJBZLBQVKBJA-LCYFTJDESA-N 0 3 306.431 3.826 20 5 DHBDHN COCC1(C)CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470215570 339314484 /nfs/dbraw/zinc/31/44/84/339314484.db2.gz LMBZRNFEPOJLCP-PTNGSMBKSA-N 0 3 318.417 3.747 20 5 DHBDHN CCOc1ccc([C@H](C)NCCC(O)(CC)CC)cc1[N+](=O)[O-] ZINC000471790517 339354193 /nfs/dbraw/zinc/35/41/93/339354193.db2.gz VKNUKUHNNYQQLN-ZDUSSCGKSA-N 0 3 324.421 3.585 20 5 DHBDHN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc([O-])cc(F)c2)cc1 ZINC000472050150 339360874 /nfs/dbraw/zinc/36/08/74/339360874.db2.gz ZZJBYWYJVVBANK-UHFFFAOYSA-N 0 3 318.348 3.552 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)OCc1ccccc12 ZINC000473162743 339383401 /nfs/dbraw/zinc/38/34/01/339383401.db2.gz QAALWRSBNJFNHL-LIRRHRJNSA-N 0 3 324.380 3.787 20 5 DHBDHN CCOC[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000474925494 339431342 /nfs/dbraw/zinc/43/13/42/339431342.db2.gz WKZHGBINFKQJRH-IUODEOHRSA-N 0 3 312.797 3.543 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000479588468 339542556 /nfs/dbraw/zinc/54/25/56/339542556.db2.gz XAHLKCUXPYSLTP-DLBZAZTESA-N 0 3 306.406 3.587 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C2CCCCC2)CC1 ZINC000483488496 339666957 /nfs/dbraw/zinc/66/69/57/339666957.db2.gz JOTIUDZUYPMLOF-OAHLLOKOSA-N 0 3 317.433 3.606 20 5 DHBDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000502484352 340105643 /nfs/dbraw/zinc/10/56/43/340105643.db2.gz XXZOVWUAMKGZCL-ZLKJLUDKSA-N 0 3 314.332 3.796 20 5 DHBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1Cc1ccccc1 ZINC000505612106 340173054 /nfs/dbraw/zinc/17/30/54/340173054.db2.gz OJSWMHTVICHEPR-HNNXBMFYSA-N 0 3 314.360 3.941 20 5 DHBDHN COc1ccc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000505770869 340177246 /nfs/dbraw/zinc/17/72/46/340177246.db2.gz ISKWAFGUHGCLHB-FNORWQNLSA-N 0 3 312.369 3.749 20 5 DHBDHN C[C@H](NCCc1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000507452448 340220358 /nfs/dbraw/zinc/22/03/58/340220358.db2.gz WYDSTKNYYLQDFP-JTQLQIEISA-N 0 3 324.302 3.905 20 5 DHBDHN CC[C@H]1C[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793630 340231734 /nfs/dbraw/zinc/23/17/34/340231734.db2.gz HURPCPBVKZMFJD-PBHICJAKSA-N 0 3 318.417 3.764 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507880325 340235060 /nfs/dbraw/zinc/23/50/60/340235060.db2.gz NSFXKIDLTBQIGS-MRXNPFEDSA-N 0 3 318.323 3.693 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1cccc(C)c1 ZINC000507947367 340236452 /nfs/dbraw/zinc/23/64/52/340236452.db2.gz YHXJGWBRSZERRS-UHFFFAOYSA-N 0 3 314.385 3.634 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCSCC3)o2)cc1 ZINC000508632123 340248958 /nfs/dbraw/zinc/24/89/58/340248958.db2.gz SVJLKVMTLFPDFO-UHFFFAOYSA-N 0 3 318.398 3.794 20 5 DHBDHN COC[C@@H](C)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000510467225 340300424 /nfs/dbraw/zinc/30/04/24/340300424.db2.gz IOEYVONNVWSSGF-GFCCVEGCSA-N 0 3 320.414 3.790 20 5 DHBDHN COc1ccc(-c2ccc(CN3CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000511954933 340343764 /nfs/dbraw/zinc/34/37/64/340343764.db2.gz COYSBKQXWUHYRA-GFCCVEGCSA-N 0 3 316.357 3.705 20 5 DHBDHN C[C@H](NCCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173332372 340362711 /nfs/dbraw/zinc/36/27/11/340362711.db2.gz UWVDAXUWDYIZSB-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000132093169 341116260 /nfs/dbraw/zinc/11/62/60/341116260.db2.gz MMKGZXPGKDGBNU-GFCCVEGCSA-N 0 3 318.398 3.544 20 5 DHBDHN O=[N+]([O-])c1ccc(CCNCc2cnc(C3CCC3)s2)cc1 ZINC000132795721 341145756 /nfs/dbraw/zinc/14/57/56/341145756.db2.gz UQXOLULCRXKING-UHFFFAOYSA-N 0 3 317.414 3.651 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](CO)CC1CCCC1 ZINC000546687652 341178792 /nfs/dbraw/zinc/17/87/92/341178792.db2.gz NHYZYZSYKZMUDU-HOCLYGCPSA-N 0 3 320.433 3.743 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3C3CCCC3)nc2c1 ZINC000548508991 341265069 /nfs/dbraw/zinc/26/50/69/341265069.db2.gz QGSYOCCHTBUTOB-MRXNPFEDSA-N 0 3 314.389 3.626 20 5 DHBDHN Cc1cc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)oc1C ZINC000548858995 341278392 /nfs/dbraw/zinc/27/83/92/341278392.db2.gz HKURTAZNXVNXKG-GFCCVEGCSA-N 0 3 304.346 3.534 20 5 DHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@H]1F ZINC000550931208 341327046 /nfs/dbraw/zinc/32/70/46/341327046.db2.gz BEJWFFNRCDTDPN-UPJWGTAASA-N 0 3 312.410 3.946 20 5 DHBDHN CC(C)N(CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000552049210 341364958 /nfs/dbraw/zinc/36/49/58/341364958.db2.gz PDOSRVFRHMCFBD-UHFFFAOYSA-N 0 3 320.414 3.946 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCSC(C)C)cc1[N+](=O)[O-] ZINC000554086467 341443305 /nfs/dbraw/zinc/44/33/05/341443305.db2.gz MKUNPPSGJQNUES-GFCCVEGCSA-N 0 3 312.435 3.786 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCc2ccc(F)cc21 ZINC000565216565 341520445 /nfs/dbraw/zinc/52/04/45/341520445.db2.gz KGGKUUWFSYJHCU-IRXDYDNUSA-N 0 3 312.344 3.998 20 5 DHBDHN CC(C)c1ccc(CN[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000363826613 519836234 /nfs/dbraw/zinc/83/62/34/519836234.db2.gz NOXRZPIGYGYYRG-HNNXBMFYSA-N 0 3 314.389 3.609 20 5 DHBDHN CCOC1CC(CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188788486 521645052 /nfs/dbraw/zinc/64/50/52/521645052.db2.gz DFBNRTIIAOYCMZ-UHFFFAOYSA-N 0 3 312.797 3.543 20 5 DHBDHN CCc1nc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000157141360 522283803 /nfs/dbraw/zinc/28/38/03/522283803.db2.gz BELMCVQSRVSQLB-NSHDSACASA-N 0 3 305.403 3.507 20 5 DHBDHN CC[C@H](NC[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160054147 522624298 /nfs/dbraw/zinc/62/42/98/522624298.db2.gz QZAXBXUXJBHCJD-JKSUJKDBSA-N 0 3 320.414 3.605 20 5 DHBDHN CC[C@@H](NC[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160054025 522870068 /nfs/dbraw/zinc/87/00/68/522870068.db2.gz QZAXBXUXJBHCJD-CVEARBPZSA-N 0 3 320.414 3.605 20 5 DHBDHN CC[C@@H](N[C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161058607 522943970 /nfs/dbraw/zinc/94/39/70/522943970.db2.gz QMVHVOUMYABMLL-QZTJIDSGSA-N 0 3 314.385 3.759 20 5 DHBDHN COCCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237219866 523375688 /nfs/dbraw/zinc/37/56/88/523375688.db2.gz RJAYHNKGOUPVSJ-UHFFFAOYSA-N 0 3 324.764 3.634 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847917 523953458 /nfs/dbraw/zinc/95/34/58/523953458.db2.gz IEOPLARJPNGEDF-SUMWQHHRSA-N 0 3 300.358 3.633 20 5 DHBDHN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802419 524223321 /nfs/dbraw/zinc/22/33/21/524223321.db2.gz VNJBSFKQZNLYAX-SJCJKPOMSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1ccccc1[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000158004148 524760355 /nfs/dbraw/zinc/76/03/55/524760355.db2.gz LWIHAAGYLDLIEY-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@@H](F)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339495746 524975831 /nfs/dbraw/zinc/97/58/31/524975831.db2.gz NOTRRDAARJJUJX-SNVBAGLBSA-N 0 3 309.366 3.556 20 5 DHBDHN C[C@@H](NC[C@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753843 525496459 /nfs/dbraw/zinc/49/64/59/525496459.db2.gz DDYSXYZQQVLWED-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940572 525926173 /nfs/dbraw/zinc/92/61/73/525926173.db2.gz XGUXUGJVMKIOAF-LRDDRELGSA-N 0 3 320.414 3.523 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000189152109 526085625 /nfs/dbraw/zinc/08/56/25/526085625.db2.gz RVQVIWIBXISFGC-DYVFJYSZSA-N 0 3 304.390 3.547 20 5 DHBDHN Cc1nc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000127728885 526826562 /nfs/dbraw/zinc/82/65/62/526826562.db2.gz YBDVHJDMUKGKJJ-LBPRGKRZSA-N 0 3 319.430 3.870 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CO)CC1CCCC1)CCC2 ZINC000338026755 527380245 /nfs/dbraw/zinc/38/02/45/527380245.db2.gz KNLANBVPQVVRJA-QAPCUYQASA-N 0 3 318.417 3.503 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000275910330 1014209921 /nfs/dbraw/zinc/20/99/21/1014209921.db2.gz XACAPSPVJROUKT-SUMWQHHRSA-N 0 3 304.390 3.547 20 5 DHBDHN COc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000126114926 1014478637 /nfs/dbraw/zinc/47/86/37/1014478637.db2.gz SBYCQFXGDICODS-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1c(CNCc2cccc3cnccc32)cccc1[N+](=O)[O-] ZINC000323089709 1014564920 /nfs/dbraw/zinc/56/49/20/1014564920.db2.gz XQRMSSDJMZSLGP-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000065208915 1015971375 /nfs/dbraw/zinc/97/13/75/1015971375.db2.gz ANOMTKFZAULPDD-UHFFFAOYSA-N 0 3 318.348 3.635 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OC(C)C)CC1 ZINC000538708987 1016162311 /nfs/dbraw/zinc/16/23/11/1016162311.db2.gz IAPIGAXBBQQXSM-CQSZACIVSA-N 0 3 306.406 3.854 20 5 DHBDHN CCN(Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425408538 1012593408 /nfs/dbraw/zinc/59/34/08/1012593408.db2.gz SLBKCDIZTOUGPP-UHFFFAOYSA-N 0 3 301.184 3.588 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2Cc2ccccc2)s1 ZINC000609631011 1012998828 /nfs/dbraw/zinc/99/88/28/1012998828.db2.gz TVAHPUHPAWXDBT-AWEZNQCLSA-N 0 3 317.414 3.733 20 5 DHBDHN Cc1nn(CN(C)[C@@H](C)C(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764876880 1018413734 /nfs/dbraw/zinc/41/37/34/1018413734.db2.gz CIJVOYVHJZLADB-LBPRGKRZSA-N 0 3 304.394 3.577 20 5 DHBDHN Cc1nn(CN(C)[C@H](C)C(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764876878 1018414116 /nfs/dbraw/zinc/41/41/16/1018414116.db2.gz CIJVOYVHJZLADB-GFCCVEGCSA-N 0 3 304.394 3.577 20 5 DHBDHN CCC[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000705334381 1018648605 /nfs/dbraw/zinc/64/86/05/1018648605.db2.gz WTCWOHHHGWAIJH-ZDUSSCGKSA-N 0 3 300.786 3.543 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCc2c1cccc2F ZINC000584182483 1019003926 /nfs/dbraw/zinc/00/39/26/1019003926.db2.gz BTDSJQDBTBXOIB-IAGOWNOFSA-N 0 3 312.344 3.998 20 5 DHBDHN CC(C)(C)N1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000584209474 1019022739 /nfs/dbraw/zinc/02/27/39/1019022739.db2.gz FHTUKGJONJFDQE-UHFFFAOYSA-N 0 3 311.813 3.559 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411630 1019476420 /nfs/dbraw/zinc/47/64/20/1019476420.db2.gz GKXMLSGOKYZQPM-OCCSQVGLSA-N 0 3 317.414 3.904 20 5 DHBDHN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922149377 1019532230 /nfs/dbraw/zinc/53/22/30/1019532230.db2.gz JYLRBWHGYWTPNQ-OLZOCXBDSA-N 0 3 312.369 3.769 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCC(F)(F)CC1 ZINC000347532839 1019576108 /nfs/dbraw/zinc/57/61/08/1019576108.db2.gz DNVBGTAWMMUXPQ-UHFFFAOYSA-N 0 3 314.332 3.613 20 5 DHBDHN CS[C@H](CNCc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000612194710 1020391476 /nfs/dbraw/zinc/39/14/76/1020391476.db2.gz NBOVDNLGBFJUEL-CYBMUJFWSA-N 0 3 300.399 3.601 20 5 DHBDHN C[C@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000235559008 1020520933 /nfs/dbraw/zinc/52/09/33/1020520933.db2.gz USDWTVYKWGBKQE-ONGXEEELSA-N 0 3 313.195 3.636 20 5 DHBDHN CC(C)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738241277 1020867012 /nfs/dbraw/zinc/86/70/12/1020867012.db2.gz SNTZBSLKTIIMRK-AWEZNQCLSA-N 0 3 316.405 3.660 20 5 DHBDHN Cc1c(CN2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000170688583 1021000223 /nfs/dbraw/zinc/00/02/23/1021000223.db2.gz PLXVXXHZGURJEP-KRWDZBQOSA-N 0 3 311.385 3.590 20 5 DHBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000230693857 1021704147 /nfs/dbraw/zinc/70/41/47/1021704147.db2.gz IMFZHOOCFWTKQA-VIFPVBQESA-N 0 3 311.794 3.598 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H]1CCC1(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851107905 1021740471 /nfs/dbraw/zinc/74/04/71/1021740471.db2.gz FCNYUTRFLTUAPE-SCDSUCTJSA-N 0 3 309.337 3.511 20 5 DHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182691013 1021766916 /nfs/dbraw/zinc/76/69/16/1021766916.db2.gz ASJPFRZNUBJBMW-NSHDSACASA-N 0 3 303.362 3.794 20 5 DHBDHN Cc1c(CN2CCC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195340179 1022121099 /nfs/dbraw/zinc/12/10/99/1022121099.db2.gz LKWCUSBEIUBQDB-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN C[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986643 1022216411 /nfs/dbraw/zinc/21/64/11/1022216411.db2.gz XZVSFMLIANPQKY-HBNTYKKESA-N 0 3 300.761 3.575 20 5 DHBDHN CCN(CC)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000609505461 1022292570 /nfs/dbraw/zinc/29/25/70/1022292570.db2.gz BQKFODWNXJCVDS-GFCCVEGCSA-N 0 3 309.391 3.744 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000609505462 1022293050 /nfs/dbraw/zinc/29/30/50/1022293050.db2.gz BQKFODWNXJCVDS-LBPRGKRZSA-N 0 3 309.391 3.744 20 5 DHBDHN CC(C)c1cnc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000183732358 1022325799 /nfs/dbraw/zinc/32/57/99/1022325799.db2.gz ICSLBRSGCQGHKD-UHFFFAOYSA-N 0 3 305.403 3.507 20 5 DHBDHN CC[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC000538392534 1033051297 /nfs/dbraw/zinc/05/12/97/1033051297.db2.gz VCSPVFKZUOAIFJ-ZDUSSCGKSA-N 0 3 318.377 3.559 20 5 DHBDHN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195737 1022660569 /nfs/dbraw/zinc/66/05/69/1022660569.db2.gz QKNRIEDHBUCLGJ-CVEARBPZSA-N 0 3 324.808 3.543 20 5 DHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000068659179 1022715952 /nfs/dbraw/zinc/71/59/52/1022715952.db2.gz KRRJYHDUQIJJAK-LBPRGKRZSA-N 0 3 309.366 3.510 20 5 DHBDHN C[C@H](NCc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499462 1023895076 /nfs/dbraw/zinc/89/50/76/1023895076.db2.gz UMANQJZTQUKDKI-JTQLQIEISA-N 0 3 305.765 3.681 20 5 DHBDHN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1(C)CC1 ZINC000876977571 1033197495 /nfs/dbraw/zinc/19/74/95/1033197495.db2.gz XWGRMHAAYDWYAF-ZETCQYMHSA-N 0 3 319.224 3.697 20 5 DHBDHN C[C@@H](NCC1(C)CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883257374 1024324800 /nfs/dbraw/zinc/32/48/00/1024324800.db2.gz ZSOOOJYAVZKHGU-SECBINFHSA-N 0 3 302.296 3.820 20 5 DHBDHN C[C@@H]1CC[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628419 1024562213 /nfs/dbraw/zinc/56/22/13/1024562213.db2.gz JIOGYNPGWKRWFA-CHWSQXEVSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCCC3)cs2)c1 ZINC000113311926 1024797273 /nfs/dbraw/zinc/79/72/73/1024797273.db2.gz OYENJRZWFLXVIL-UHFFFAOYSA-N 0 3 303.387 3.751 20 5 DHBDHN Cc1ccccc1C[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886012223 1025438551 /nfs/dbraw/zinc/43/85/51/1025438551.db2.gz CHWSMRJVDFRFBU-QGZVFWFLSA-N 0 3 311.385 3.505 20 5 DHBDHN CC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000282970675 1026025261 /nfs/dbraw/zinc/02/52/61/1026025261.db2.gz CTJUKTYKJCLSNT-INIZCTEOSA-N 0 3 318.348 3.983 20 5 DHBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000282970679 1026026774 /nfs/dbraw/zinc/02/67/74/1026026774.db2.gz CTJUKTYKJCLSNT-MRXNPFEDSA-N 0 3 318.348 3.983 20 5 DHBDHN CCC[C@@](C)(O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479325 1027016641 /nfs/dbraw/zinc/01/66/41/1027016641.db2.gz CJTRNMFZGFVXDL-CYBMUJFWSA-N 0 3 321.204 3.542 20 5 DHBDHN CC(F)(F)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295968651 1027504699 /nfs/dbraw/zinc/50/46/99/1027504699.db2.gz IJYNHWNLYNIDOD-UHFFFAOYSA-N 0 3 310.300 3.990 20 5 DHBDHN CC(COC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)[N+](=O)[O-] ZINC000813105964 1027521317 /nfs/dbraw/zinc/52/13/17/1027521317.db2.gz WNELSYMAZCMING-LMWIKNPDSA-N 0 3 309.406 3.582 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Cc2nccs2)C1 ZINC000934333887 1027968892 /nfs/dbraw/zinc/96/88/92/1027968892.db2.gz RIAQWTCLRDNOGV-CHWSQXEVSA-N 0 3 317.414 3.677 20 5 DHBDHN CCc1cnccc1[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600320 1028564076 /nfs/dbraw/zinc/56/40/76/1028564076.db2.gz QLWNZSLRXUHXCH-NWDGAFQWSA-N 0 3 314.389 3.546 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CSc3ccccc32)c(F)c1 ZINC000449363188 1028575015 /nfs/dbraw/zinc/57/50/15/1028575015.db2.gz LOZWZFKFRPQOJR-GFCCVEGCSA-N 0 3 318.373 3.713 20 5 DHBDHN CC1(F)CC(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449371765 1028583615 /nfs/dbraw/zinc/58/36/15/1028583615.db2.gz YNVNRGABWMMGBD-UHFFFAOYSA-N 0 3 304.321 3.835 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000449617837 1028869018 /nfs/dbraw/zinc/86/90/18/1028869018.db2.gz IYONWJXNNAGAHT-HNNXBMFYSA-N 0 3 320.433 3.701 20 5 DHBDHN COc1ccc(-c2ccc(CN3C[C@H](C)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646676 1028972977 /nfs/dbraw/zinc/97/29/77/1028972977.db2.gz HMJTWMZIHJDPJW-RYUDHWBXSA-N 0 3 316.357 3.704 20 5 DHBDHN CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451479596 1029880993 /nfs/dbraw/zinc/88/09/93/1029880993.db2.gz NQPJXGKOUJYDHZ-CFVMTHIKSA-N 0 3 324.808 3.541 20 5 DHBDHN C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000358176268 1030360206 /nfs/dbraw/zinc/36/02/06/1030360206.db2.gz NHQDMCYGKXSNSF-LBPRGKRZSA-N 0 3 305.403 3.725 20 5 DHBDHN C[C@@H]1SCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435278 1030560040 /nfs/dbraw/zinc/56/00/40/1030560040.db2.gz RVGYHYNUZAMFEI-CPCISQLKSA-N 0 3 321.229 3.885 20 5 DHBDHN C[C@H]1Cc2cc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917937 1030992671 /nfs/dbraw/zinc/99/26/71/1030992671.db2.gz FCBMOPMSUCGXCV-YVEFUNNKSA-N 0 3 324.380 3.695 20 5 DHBDHN CCC[C@@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021265 1031037957 /nfs/dbraw/zinc/03/79/57/1031037957.db2.gz MLNBNSKWWKEWEU-WCQYABFASA-N 0 3 312.435 3.518 20 5 DHBDHN CC[C@H](N[C@@H](c1cnn(C)c1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000927064949 1031060860 /nfs/dbraw/zinc/06/08/60/1031060860.db2.gz BMZHWMBYZYPPSG-DLBZAZTESA-N 0 3 316.405 3.766 20 5 DHBDHN Cc1c([C@H](C)NC2([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165185 1031127381 /nfs/dbraw/zinc/12/73/81/1031127381.db2.gz ZYSIXFYOAONXOA-BBRMVZONSA-N 0 3 304.390 3.656 20 5 DHBDHN Cc1csc([C@@H](C)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062422 1031456893 /nfs/dbraw/zinc/45/68/93/1031456893.db2.gz MQJCVXCRPDHVFX-GXSJLCMTSA-N 0 3 323.393 3.953 20 5 DHBDHN C[C@H](NC[C@@]1(C)CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063704 1031458818 /nfs/dbraw/zinc/45/88/18/1031458818.db2.gz SENPGLLNJMRRHC-MZPVMMEZSA-N 0 3 322.380 3.590 20 5 DHBDHN C[C@H](NC[C@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069823 1031464794 /nfs/dbraw/zinc/46/47/94/1031464794.db2.gz VMGRPWZHEORYKG-UWVGGRQHSA-N 0 3 302.296 3.820 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[C@H](C)O1 ZINC000872077318 1031474894 /nfs/dbraw/zinc/47/48/94/1031474894.db2.gz FUIOLLGDKGEGRH-GVXVVHGQSA-N 0 3 310.419 3.535 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1COC(C)(C)C1 ZINC000872084069 1031481493 /nfs/dbraw/zinc/48/14/93/1031481493.db2.gz GHIACKLZGBIKNS-MNOVXSKESA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000925309313 1031528350 /nfs/dbraw/zinc/52/83/50/1031528350.db2.gz XWINIJXVPVKIOQ-CYBMUJFWSA-N 0 3 314.385 3.673 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000872260147 1031564888 /nfs/dbraw/zinc/56/48/88/1031564888.db2.gz JJTMQFUQFCBHEN-KRWDZBQOSA-N 0 3 318.417 3.827 20 5 DHBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000537310342 1031567677 /nfs/dbraw/zinc/56/76/77/1031567677.db2.gz HQYQNHAJQOXKGS-FHSNZYRGSA-N 0 3 312.369 3.638 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H](C)C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881386 1031750486 /nfs/dbraw/zinc/75/04/86/1031750486.db2.gz MWKUFAAZSVDQDY-FIXISWKDSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845879402 1031750853 /nfs/dbraw/zinc/75/08/53/1031750853.db2.gz USIXOPWFFCRJPF-IAQYHMDHSA-N 0 3 321.304 3.599 20 5 DHBDHN CC([C@@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845877522 1031751571 /nfs/dbraw/zinc/75/15/71/1031751571.db2.gz QBXBNHYJVLAVHV-OXJKWZBOSA-N 0 3 309.337 3.511 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358273 1031854858 /nfs/dbraw/zinc/85/48/58/1031854858.db2.gz YFKMBJYKACGQRK-SWLSCSKDSA-N 0 3 303.362 3.729 20 5 DHBDHN COc1cc(CN(C)C2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000361611176 1032013602 /nfs/dbraw/zinc/01/36/02/1032013602.db2.gz QNSURWYYYZPOLC-UHFFFAOYSA-N 0 3 310.369 3.753 20 5 DHBDHN C[C@H](N(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(C)(C)C ZINC000777955822 1032044293 /nfs/dbraw/zinc/04/42/93/1032044293.db2.gz YSFHCUIWMZBSNW-ZDUSSCGKSA-N 0 3 316.405 3.782 20 5 DHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2c2ccsc2)c1 ZINC000136940553 1033318728 /nfs/dbraw/zinc/31/87/28/1033318728.db2.gz WGJREWZSSFLUMJ-HZPDHXFCSA-N 0 3 318.398 3.527 20 5 DHBDHN C[C@H](N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902072 1033437909 /nfs/dbraw/zinc/43/79/09/1033437909.db2.gz UTYHRAKCWRAWGQ-SMDDNHRTSA-N 0 3 317.414 3.650 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](C)c2ccoc2)c1F ZINC001173185662 1033583745 /nfs/dbraw/zinc/58/37/45/1033583745.db2.gz CGFXKSNLKHLSID-MNOVXSKESA-N 0 3 322.336 3.617 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(C)(C)CC2)c1F ZINC001173187619 1033585086 /nfs/dbraw/zinc/58/50/86/1033585086.db2.gz BCANQHPJBHOCQN-GFCCVEGCSA-N 0 3 324.396 3.796 20 5 DHBDHN CCC[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)OCC ZINC000862434762 1033850718 /nfs/dbraw/zinc/85/07/18/1033850718.db2.gz GOAZVPZAJPISIA-GFCCVEGCSA-N 0 3 300.786 3.543 20 5 DHBDHN CC[C@H](NCc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175051059 1033977359 /nfs/dbraw/zinc/97/73/59/1033977359.db2.gz WJYMLQHCVKZQSZ-KRWDZBQOSA-N 0 3 313.401 3.902 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228828 1034570718 /nfs/dbraw/zinc/57/07/18/1034570718.db2.gz KJLHZRFVCSRQDS-IINYFYTJSA-N 0 3 310.419 3.538 20 5 DHBDHN C[C@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000555422291 1034690304 /nfs/dbraw/zinc/69/03/04/1034690304.db2.gz SDYZMKQGHRNBGP-CYBMUJFWSA-N 0 3 303.406 3.564 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2C2CCOCC2)c1 ZINC000777438763 1034743399 /nfs/dbraw/zinc/74/33/99/1034743399.db2.gz DHAAOVAMASMMPF-MRXNPFEDSA-N 0 3 324.808 3.639 20 5 DHBDHN CCCCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000482692274 1035163128 /nfs/dbraw/zinc/16/31/28/1035163128.db2.gz LUYLYDWVZOJNEA-UHFFFAOYSA-N 0 3 304.394 3.872 20 5 DHBDHN COc1cc(CN2CCC[C@@]3(CC=CCC3)C2)ccc1[N+](=O)[O-] ZINC000485470928 1035672568 /nfs/dbraw/zinc/67/25/68/1035672568.db2.gz AWEQJESSMCVJHS-SFHVURJKSA-N 0 3 316.401 3.926 20 5 DHBDHN C[C@H]1CCCC[C@@H]1OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743599 1035713346 /nfs/dbraw/zinc/71/33/46/1035713346.db2.gz QTJMDDUZPJXWLK-YJBOKZPZSA-N 0 3 320.433 3.664 20 5 DHBDHN CCc1cnccc1[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000540651416 1036125535 /nfs/dbraw/zinc/12/55/35/1036125535.db2.gz AHYOKRVTGOYLFZ-QPBFKRLHSA-N 0 3 311.385 3.916 20 5 DHBDHN O=[N+]([O-])c1c(NCCN2CCCCC2)cccc1C(F)(F)F ZINC001184839485 1036962622 /nfs/dbraw/zinc/96/26/22/1036962622.db2.gz JXJLPVCCHQIGCO-UHFFFAOYSA-N 0 3 317.311 3.511 20 5 DHBDHN O=[N+]([O-])c1cccc(Br)c1CNC1CCCCC1 ZINC001198943392 1037166916 /nfs/dbraw/zinc/16/69/16/1037166916.db2.gz ZGDGILVLKRGLCX-UHFFFAOYSA-N 0 3 313.195 3.780 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC001186872267 1037508880 /nfs/dbraw/zinc/50/88/80/1037508880.db2.gz LQQSXBJBVNAUGU-LSDHHAIUSA-N 0 3 309.797 3.677 20 5 DHBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000917041074 1038123741 /nfs/dbraw/zinc/12/37/41/1038123741.db2.gz YBOXJZKEXUXTGD-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000588854689 1038387187 /nfs/dbraw/zinc/38/71/87/1038387187.db2.gz AMPDOGPEJFXCEI-JSGCOSHPSA-N 0 3 317.414 3.731 20 5 DHBDHN CCOc1cc(CN2CCC(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001191014106 1038419699 /nfs/dbraw/zinc/41/96/99/1038419699.db2.gz XLERZMQLEZFZMU-UHFFFAOYSA-N 0 3 306.406 3.862 20 5 DHBDHN CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC001191744089 1038541790 /nfs/dbraw/zinc/54/17/90/1038541790.db2.gz YJPCMWJIDNJDDP-JKSUJKDBSA-N 0 3 306.406 3.620 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccccn2)C1 ZINC000590601959 1038675701 /nfs/dbraw/zinc/67/57/01/1038675701.db2.gz UFHIDMTXLRNZMG-ZBFHGGJFSA-N 0 3 311.385 3.930 20 5 DHBDHN CC(C)c1ccc(CN2CCC([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593675639 1039039542 /nfs/dbraw/zinc/03/95/42/1039039542.db2.gz ADLGATBDGQAJJZ-AWEZNQCLSA-N 0 3 320.433 3.559 20 5 DHBDHN C[C@@H]1CC2(CN1Cc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592185088 1039173273 /nfs/dbraw/zinc/17/32/73/1039173273.db2.gz VICSQABDIPXDDF-GFCCVEGCSA-N 0 3 324.808 3.639 20 5 DHBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989609 1040007442 /nfs/dbraw/zinc/00/74/42/1040007442.db2.gz VCRTYKLEPUCUHL-QWHCGFSZSA-N 0 3 324.446 3.872 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000595046174 1040048611 /nfs/dbraw/zinc/04/86/11/1040048611.db2.gz JDMXLCMTCNDEGN-YRGRVCCFSA-N 0 3 322.405 3.600 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054318 1040053890 /nfs/dbraw/zinc/05/38/90/1040053890.db2.gz ZQCUWTIHPFHCKK-DAXOMENPSA-N 0 3 322.405 3.602 20 5 DHBDHN COc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000595106680 1040066414 /nfs/dbraw/zinc/06/64/14/1040066414.db2.gz TUWKXOKOFYEEFE-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](c2ccccc2)C1 ZINC000595296823 1040090929 /nfs/dbraw/zinc/09/09/29/1040090929.db2.gz LJJZLKMCIOVZNR-AWEZNQCLSA-N 0 3 300.333 3.723 20 5 DHBDHN Cc1noc(CN2CCC[C@@H]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000595297401 1040096221 /nfs/dbraw/zinc/09/62/21/1040096221.db2.gz SQLBUFZIDSSHLO-CQSZACIVSA-N 0 3 307.394 3.826 20 5 DHBDHN C[C@H]1c2ccccc2C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595706762 1040222360 /nfs/dbraw/zinc/22/23/60/1040222360.db2.gz KGZNZZUFQJNSCW-XHDPSFHLSA-N 0 3 323.352 3.554 20 5 DHBDHN CC(C)OCCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000228565493 1040934941 /nfs/dbraw/zinc/93/49/41/1040934941.db2.gz LCUKYJTUJJWJMY-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC1(F)F ZINC000602639416 1041139766 /nfs/dbraw/zinc/13/97/66/1041139766.db2.gz IMVPLNKRTGXYEO-WRWORJQWSA-N 0 3 324.249 3.747 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](c4ccccc4)C3)nc2c1 ZINC000083169747 185215489 /nfs/dbraw/zinc/21/54/89/185215489.db2.gz NEOQLJFXSOUUMG-AWEZNQCLSA-N 0 3 323.352 3.726 20 5 DHBDHN CC[C@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072684873 191214868 /nfs/dbraw/zinc/21/48/68/191214868.db2.gz HCYKVGVQRBOXNQ-HNNXBMFYSA-N 0 3 305.403 3.509 20 5 DHBDHN CC[C@](C)(NCCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000072865136 191244956 /nfs/dbraw/zinc/24/49/56/191244956.db2.gz GOXFICAFBCAHNO-INIZCTEOSA-N 0 3 319.430 3.817 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OC(C)(C)C)CC1 ZINC000273433593 130121177 /nfs/dbraw/zinc/12/11/77/130121177.db2.gz LKLPGKFDOIDYAL-UHFFFAOYSA-N 0 3 306.406 3.683 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCc2c1cccc2F ZINC000584182485 331858736 /nfs/dbraw/zinc/85/87/36/331858736.db2.gz BTDSJQDBTBXOIB-SJORKVTESA-N 0 3 312.344 3.998 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358272 332441616 /nfs/dbraw/zinc/44/16/16/332441616.db2.gz YFKMBJYKACGQRK-IUODEOHRSA-N 0 3 303.362 3.729 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000569940504 332695598 /nfs/dbraw/zinc/69/55/98/332695598.db2.gz BPXMWMIGYPDBGD-QDMKHBRRSA-N 0 3 315.398 3.606 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628585 333196178 /nfs/dbraw/zinc/19/61/78/333196178.db2.gz UPMKXJQVQMCDSC-OWCLPIDISA-N 0 3 306.406 3.839 20 5 DHBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000531213769 333335323 /nfs/dbraw/zinc/33/53/23/333335323.db2.gz PUQLCGYUUGNVOZ-FHSNZYRGSA-N 0 3 312.369 3.638 20 5 DHBDHN O=[N+]([O-])c1cccc(CNC[C@H]2SCCc3ccccc32)c1 ZINC000531389873 333348925 /nfs/dbraw/zinc/34/89/25/333348925.db2.gz PPZTZSHOYVCYKY-QGZVFWFLSA-N 0 3 314.410 3.715 20 5 DHBDHN Cc1c(CN[C@H]2CS[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545067 333384055 /nfs/dbraw/zinc/38/40/55/333384055.db2.gz OIFFQDOTOSNDBV-UKRRQHHQSA-N 0 3 308.447 3.913 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC2(CCCCC2)O1 ZINC000319717767 333399646 /nfs/dbraw/zinc/39/96/46/333399646.db2.gz ONZSTJSHSUDKHX-OAHLLOKOSA-N 0 3 304.390 3.566 20 5 DHBDHN COc1cccc2c1CC[C@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549156 333622563 /nfs/dbraw/zinc/62/25/63/333622563.db2.gz OZTGZQQFAXBXFB-DLBZAZTESA-N 0 3 324.380 3.868 20 5 DHBDHN CO[C@@](C)([C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414237801 333917931 /nfs/dbraw/zinc/91/79/31/333917931.db2.gz WWZLBPQUGFOBBA-XNJGSVPQSA-N 0 3 306.406 3.757 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414238223 333918004 /nfs/dbraw/zinc/91/80/04/333918004.db2.gz XHMZHNWZCZTXGQ-MDZLAQPJSA-N 0 3 310.419 3.538 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H](C)c1ccccc1 ZINC000430216821 333991963 /nfs/dbraw/zinc/99/19/63/333991963.db2.gz IFPJWAGULJXYGO-ZIAGYGMSSA-N 0 3 314.385 3.885 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)CC(F)(F)F ZINC000414524811 334007607 /nfs/dbraw/zinc/00/76/07/334007607.db2.gz HOASKQJPRDMFML-JTQLQIEISA-N 0 3 320.311 3.672 20 5 DHBDHN C[C@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321303 334107786 /nfs/dbraw/zinc/10/77/86/334107786.db2.gz SJFCKGJJEBRTRQ-XHDPSFHLSA-N 0 3 301.346 3.528 20 5 DHBDHN Cc1cc(N)cc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000414966613 334214327 /nfs/dbraw/zinc/21/43/27/334214327.db2.gz OTDKCPJFHWUSAI-UHFFFAOYSA-N 0 3 313.401 3.899 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN(C)c1ccccc1 ZINC000303317511 334316429 /nfs/dbraw/zinc/31/64/29/334316429.db2.gz SNLJLTVFUZRKPU-HNNXBMFYSA-N 0 3 313.401 3.724 20 5 DHBDHN CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000534843408 334339459 /nfs/dbraw/zinc/33/94/59/334339459.db2.gz WSWNSFASRIVTPI-UHFFFAOYSA-N 0 3 315.373 3.870 20 5 DHBDHN O=[N+]([O-])c1ccccc1CCN[C@@H]1CCCOc2ccccc21 ZINC000344065281 335214559 /nfs/dbraw/zinc/21/45/59/335214559.db2.gz ODTVQZTXDWWHJS-MRXNPFEDSA-N 0 3 312.369 3.641 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344111007 335224294 /nfs/dbraw/zinc/22/42/94/335224294.db2.gz TXXOALZGRSINJF-GVDBMIGSSA-N 0 3 318.417 3.983 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@H]2SCCc3ccccc32)cs1 ZINC000344757186 335273770 /nfs/dbraw/zinc/27/37/70/335273770.db2.gz KGGOJASQMXOGDZ-CQSZACIVSA-N 0 3 320.439 3.777 20 5 DHBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000344704564 335274034 /nfs/dbraw/zinc/27/40/34/335274034.db2.gz VIVMDGASRCKDOI-OHUAYANFSA-N 0 3 318.398 3.699 20 5 DHBDHN CC(C)c1ccc(CNCC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000345715950 335345215 /nfs/dbraw/zinc/34/52/15/335345215.db2.gz WOVLKQZUDOCVTH-QGZVFWFLSA-N 0 3 320.433 3.605 20 5 DHBDHN C[C@@H]1CC(C)(C)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688878 338482905 /nfs/dbraw/zinc/48/29/05/338482905.db2.gz LGGLHFLHMDYNOO-DGCLKSJQSA-N 0 3 316.405 3.776 20 5 DHBDHN COc1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468639048 335455546 /nfs/dbraw/zinc/45/55/46/335455546.db2.gz RDPJUEXNZDBNJF-UVTDQMKNSA-N 0 3 312.369 3.797 20 5 DHBDHN COCC[C@@H]1CCCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338738 336169167 /nfs/dbraw/zinc/16/91/67/336169167.db2.gz QMVVWIOVHSQNFN-CABCVRRESA-N 0 3 306.406 3.794 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N(C)C)c1 ZINC000301551910 336314273 /nfs/dbraw/zinc/31/42/73/336314273.db2.gz HCXAMOMUKWZNDB-CQSZACIVSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1cc(N2CCC[C@H](N3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301983575 336341288 /nfs/dbraw/zinc/34/12/88/336341288.db2.gz KDNBKUAASWABFD-ZDUSSCGKSA-N 0 3 323.824 3.621 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccsc1)N(C)C ZINC000353442415 336418114 /nfs/dbraw/zinc/41/81/14/336418114.db2.gz VOVVTGFQTOSWAM-HNNXBMFYSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1cccnc1C1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000367902826 336831980 /nfs/dbraw/zinc/83/19/80/336831980.db2.gz WYXKXFNOYCBFRP-CQSZACIVSA-N 0 3 311.385 3.681 20 5 DHBDHN C[C@H](NC[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882197 336873534 /nfs/dbraw/zinc/87/35/34/336873534.db2.gz JKCXDEUZBCIXJZ-SCLBCKFNSA-N 0 3 312.369 3.559 20 5 DHBDHN Cc1n[nH]cc1C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000375336861 337008316 /nfs/dbraw/zinc/00/83/16/337008316.db2.gz PQGJVKLLIYIDPZ-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN CSC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000193653694 337078925 /nfs/dbraw/zinc/07/89/25/337078925.db2.gz VMGDNJPEGUTKRV-UHFFFAOYSA-N 0 3 318.398 3.840 20 5 DHBDHN O=[N+]([O-])c1ccc(OC2CCN([C@H]3C=CCCC3)CC2)cc1 ZINC000174242645 337140044 /nfs/dbraw/zinc/14/00/44/337140044.db2.gz JPFIWYACGNUMAA-AWEZNQCLSA-N 0 3 302.374 3.547 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000186432195 337256020 /nfs/dbraw/zinc/25/60/20/337256020.db2.gz ICYRHZYMNXKEEZ-LJQANCHMSA-N 0 3 324.380 3.535 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000514679917 337389407 /nfs/dbraw/zinc/38/94/07/337389407.db2.gz RCYRJBPBKRQNRD-FUHWJXTLSA-N 0 3 309.369 3.718 20 5 DHBDHN Cc1[nH]c2ccccc2c1CCNCc1csc([N+](=O)[O-])c1 ZINC000237717358 337469278 /nfs/dbraw/zinc/46/92/78/337469278.db2.gz LLLHTEWYHBDDSI-UHFFFAOYSA-N 0 3 315.398 3.778 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCNCc2ccc(Cl)cc2F)cc1 ZINC000527111828 337631918 /nfs/dbraw/zinc/63/19/18/337631918.db2.gz BQFWIQQVWSJRPF-UHFFFAOYSA-N 0 3 324.739 3.556 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@@H]3CC34CC4)o2)c([N+](=O)[O-])c1 ZINC000424184569 337801243 /nfs/dbraw/zinc/80/12/43/337801243.db2.gz MWPVPWFMXJULCZ-MRXNPFEDSA-N 0 3 314.341 3.506 20 5 DHBDHN C[C@@](O)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313844 338009619 /nfs/dbraw/zinc/00/96/19/338009619.db2.gz XQVLQALWYRJSMG-SJLPKXTDSA-N 0 3 318.417 3.503 20 5 DHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000428454003 338052511 /nfs/dbraw/zinc/05/25/11/338052511.db2.gz QONWOZQQJYNCBQ-CSKARUKUSA-N 0 3 318.417 3.625 20 5 DHBDHN CCC(CC)[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115107 338182248 /nfs/dbraw/zinc/18/22/48/338182248.db2.gz HRDCGROEKXPNDV-IAGOWNOFSA-N 0 3 320.433 3.704 20 5 DHBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000433215739 338186207 /nfs/dbraw/zinc/18/62/07/338186207.db2.gz RBXSMABSQUOCKV-ZLIFDBKOSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1CCC(O)(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000438616957 338350100 /nfs/dbraw/zinc/35/01/00/338350100.db2.gz DTSQPSSONMRTLR-UHFFFAOYSA-N 0 3 318.417 3.500 20 5 DHBDHN CO[C@H]1CCCC[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000442811709 338433166 /nfs/dbraw/zinc/43/31/66/338433166.db2.gz PTRJZYDMYMPQKW-BBWFWOEESA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000446835776 338537637 /nfs/dbraw/zinc/53/76/37/338537637.db2.gz QHNWJJZHWYFZQV-CHWSQXEVSA-N 0 3 314.389 3.530 20 5 DHBDHN COC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136901 338596247 /nfs/dbraw/zinc/59/62/47/338596247.db2.gz CUUJDMCPJDQHAD-PBHICJAKSA-N 0 3 314.385 3.503 20 5 DHBDHN Cc1ccc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])nc1C ZINC000459683365 339042977 /nfs/dbraw/zinc/04/29/77/339042977.db2.gz ZWLZWKNLQCWYPL-AWEZNQCLSA-N 0 3 313.401 3.718 20 5 DHBDHN C[C@H](CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459785316 339048512 /nfs/dbraw/zinc/04/85/12/339048512.db2.gz ARKWXSHHWSNXTI-CHWSQXEVSA-N 0 3 322.405 3.565 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813084 339049522 /nfs/dbraw/zinc/04/95/22/339049522.db2.gz WFVPJASTTIPGTG-QANKJYHBSA-N 0 3 318.417 3.529 20 5 DHBDHN CCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)OC ZINC000462830062 339093015 /nfs/dbraw/zinc/09/30/15/339093015.db2.gz SRHWANWPCDYYKK-ZDUSSCGKSA-N 0 3 318.373 3.712 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cccc2cc[nH]c21 ZINC000466918222 339221432 /nfs/dbraw/zinc/22/14/32/339221432.db2.gz XCKLTTRRFNCZSV-YWEYNIOJSA-N 0 3 307.353 3.879 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000467994949 339250614 /nfs/dbraw/zinc/25/06/14/339250614.db2.gz QKOMCOWNVCRLRF-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000468002346 339250806 /nfs/dbraw/zinc/25/08/06/339250806.db2.gz DTAKVAGBZOYQLH-JTQLQIEISA-N 0 3 324.302 3.905 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027504 339251478 /nfs/dbraw/zinc/25/14/78/339251478.db2.gz SPTGRKLPVXPTIQ-UWVGGRQHSA-N 0 3 320.311 3.985 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCOCCC(C)C ZINC000468644006 339267898 /nfs/dbraw/zinc/26/78/98/339267898.db2.gz WQHUYKNJKIUMDN-PTNGSMBKSA-N 0 3 306.406 3.650 20 5 DHBDHN COC[C@H]1CCCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000468693238 339268658 /nfs/dbraw/zinc/26/86/58/339268658.db2.gz IJQTULTVCIFYEI-INIZCTEOSA-N 0 3 320.433 3.967 20 5 DHBDHN COCCC1(CNCc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000479880780 339552565 /nfs/dbraw/zinc/55/25/65/339552565.db2.gz ACLPJJHYIZOFSC-UHFFFAOYSA-N 0 3 324.396 3.811 20 5 DHBDHN COc1ccccc1/C=C\CNCc1cccc([N+](=O)[O-])c1C ZINC000480449459 339573385 /nfs/dbraw/zinc/57/33/85/339573385.db2.gz YXZOHUSZYHVALT-TWGQIWQCSA-N 0 3 312.369 3.715 20 5 DHBDHN CCC[C@@H](NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249975 339627652 /nfs/dbraw/zinc/62/76/52/339627652.db2.gz PXCQMAVYCSWZMF-QZTJIDSGSA-N 0 3 320.433 3.967 20 5 DHBDHN CCC[C@H](N[C@H]1CCCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000483739382 339673486 /nfs/dbraw/zinc/67/34/86/339673486.db2.gz BPLUKZINUUTXMR-YESZJQIVSA-N 0 3 306.406 3.983 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000500449827 340059045 /nfs/dbraw/zinc/05/90/45/340059045.db2.gz BZSXJSHZWOFQLN-SNVBAGLBSA-N 0 3 302.296 3.649 20 5 DHBDHN Cc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000500568568 340062589 /nfs/dbraw/zinc/06/25/89/340062589.db2.gz OUKVLRYAOSGDCK-TZMCWYRMSA-N 0 3 314.332 3.543 20 5 DHBDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000502484351 340105695 /nfs/dbraw/zinc/10/56/95/340105695.db2.gz XXZOVWUAMKGZCL-LERXQTSPSA-N 0 3 314.332 3.796 20 5 DHBDHN CCCCN(CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505876666 340180421 /nfs/dbraw/zinc/18/04/21/340180421.db2.gz KSWHGXSVIBSERH-UHFFFAOYSA-N 0 3 302.321 3.818 20 5 DHBDHN CC(C)[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507209315 340213716 /nfs/dbraw/zinc/21/37/16/340213716.db2.gz IPSIWIKIRHCHPF-JTQLQIEISA-N 0 3 302.321 3.673 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515915 340272003 /nfs/dbraw/zinc/27/20/03/340272003.db2.gz LZLFLIIHQUBPQH-UKRRQHHQSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccncc1F ZINC000510994217 340317467 /nfs/dbraw/zinc/31/74/67/340317467.db2.gz ALVMUYCVCIOKFF-STQMWFEESA-N 0 3 317.364 3.801 20 5 DHBDHN CCOc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511136428 340322001 /nfs/dbraw/zinc/32/20/01/340322001.db2.gz AEBDKILFAZNKMC-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724286 340336278 /nfs/dbraw/zinc/33/62/78/340336278.db2.gz VDOYGVMHOUQJNL-JHJVBQTASA-N 0 3 309.385 3.512 20 5 DHBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000173450457 340365269 /nfs/dbraw/zinc/36/52/69/340365269.db2.gz HSSPVAWEROAGMM-OLZOCXBDSA-N 0 3 318.348 3.852 20 5 DHBDHN CCC[C@@]1(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000512880390 340382210 /nfs/dbraw/zinc/38/22/10/340382210.db2.gz TVXJWTHFLHANTE-QGZVFWFLSA-N 0 3 306.406 3.767 20 5 DHBDHN C[C@@H]1CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045953 340390545 /nfs/dbraw/zinc/39/05/45/340390545.db2.gz IFVNCBKBDKHHJZ-YGRLFVJLSA-N 0 3 303.387 3.606 20 5 DHBDHN C[C@H](NCCc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178647317 340451186 /nfs/dbraw/zinc/45/11/86/340451186.db2.gz WLRBBVLXLYLRPQ-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN COCc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124418108 340798979 /nfs/dbraw/zinc/79/89/79/340798979.db2.gz SGRMWGJODFYJQA-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN Cc1ccc(CNCCc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000544177093 341072859 /nfs/dbraw/zinc/07/28/59/341072859.db2.gz OFEZGZKATBATMJ-UHFFFAOYSA-N 0 3 324.302 3.653 20 5 DHBDHN CC(C)c1ccc(CN[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180290 341073138 /nfs/dbraw/zinc/07/31/38/341073138.db2.gz FGCDVKUSJCAKQG-QZTJIDSGSA-N 0 3 318.417 3.765 20 5 DHBDHN CO[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462595 341090349 /nfs/dbraw/zinc/09/03/49/341090349.db2.gz ZOWCLHXTIXAXCZ-RDTXWAMCSA-N 0 3 314.385 3.942 20 5 DHBDHN CCC(CC)(CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000545456251 341125676 /nfs/dbraw/zinc/12/56/76/341125676.db2.gz COPMVWAYICPEPX-ZDUSSCGKSA-N 0 3 322.405 3.533 20 5 DHBDHN COc1ccccc1C[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000075897094 341188425 /nfs/dbraw/zinc/18/84/25/341188425.db2.gz XXMXJFQNMCQKDC-CQSZACIVSA-N 0 3 314.385 3.666 20 5 DHBDHN CC1(C)SC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000549265849 341290003 /nfs/dbraw/zinc/29/00/03/341290003.db2.gz UGOUEULJLDONHR-HNNXBMFYSA-N 0 3 318.398 3.838 20 5 DHBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000550010599 341308719 /nfs/dbraw/zinc/30/87/19/341308719.db2.gz IKLYVSMQIQCGSL-LBPRGKRZSA-N 0 3 320.776 3.978 20 5 DHBDHN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)CO ZINC000552381580 341390183 /nfs/dbraw/zinc/39/01/83/341390183.db2.gz VGGAWDAHNFPJLH-LBPRGKRZSA-N 0 3 320.414 3.526 20 5 DHBDHN Cc1c(CNCc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000336867625 341809145 /nfs/dbraw/zinc/80/91/45/341809145.db2.gz NVWBMVXSKSINPQ-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CCCCC1(F)F ZINC000577077560 341884007 /nfs/dbraw/zinc/88/40/07/341884007.db2.gz QMDGUIXTWAVRLU-RISCZKNCSA-N 0 3 310.344 3.997 20 5 DHBDHN CCOC[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182789452 520170740 /nfs/dbraw/zinc/17/07/40/520170740.db2.gz SHLXBTAPFVQNBG-GJZGRUSLSA-N 0 3 306.406 3.713 20 5 DHBDHN CCc1nc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000157086371 522283444 /nfs/dbraw/zinc/28/34/44/522283444.db2.gz ZWAHALDYGSXEPM-LBPRGKRZSA-N 0 3 319.430 3.815 20 5 DHBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000264335506 522877076 /nfs/dbraw/zinc/87/70/76/522877076.db2.gz LYZKYRNZDIZNDA-OAHLLOKOSA-N 0 3 318.348 3.983 20 5 DHBDHN COCc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158534207 523055842 /nfs/dbraw/zinc/05/58/42/523055842.db2.gz BOYGHBXTWCCWOI-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN COc1ccccc1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157962014 524757916 /nfs/dbraw/zinc/75/79/16/524757916.db2.gz VQMFHTOIVSNJAK-OAHLLOKOSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846565 525475036 /nfs/dbraw/zinc/47/50/36/525475036.db2.gz IBAMTLMAERKERP-BDJLRTHQSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130689862 525783825 /nfs/dbraw/zinc/78/38/25/525783825.db2.gz ALXBZHWSNQNHHM-KSSFIOAISA-N 0 3 314.385 3.596 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OCC2CC2)CC1 ZINC000364976840 526087324 /nfs/dbraw/zinc/08/73/24/526087324.db2.gz FYZFFMZGQBXVBH-CQSZACIVSA-N 0 3 318.417 3.855 20 5 DHBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000126059667 1014434742 /nfs/dbraw/zinc/43/47/42/1014434742.db2.gz GWEIRGXUXJSASV-QGZVFWFLSA-N 0 3 312.369 3.771 20 5 DHBDHN CCCCN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(C)o1 ZINC000610485006 1014605440 /nfs/dbraw/zinc/60/54/40/1014605440.db2.gz KDYIHXARQYYYKC-AWEZNQCLSA-N 0 3 320.393 3.556 20 5 DHBDHN CC(C)N1CC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227126003 1015500797 /nfs/dbraw/zinc/50/07/97/1015500797.db2.gz OACUBOPXWVGMKE-VIFPVBQESA-N 0 3 319.188 3.763 20 5 DHBDHN CC[C@H]1[C@H](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644496 1015607678 /nfs/dbraw/zinc/60/76/78/1015607678.db2.gz VJKYQOQMLLSHCO-WBMJQRKESA-N 0 3 315.373 3.870 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ccncc2)C1 ZINC000451000648 1016377198 /nfs/dbraw/zinc/37/71/98/1016377198.db2.gz GGZPZANJVSZHBU-HOCLYGCPSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCc2nc3ccccc3s2)cs1 ZINC000037562589 1032617518 /nfs/dbraw/zinc/61/75/18/1032617518.db2.gz GWVUJSJWKKKBML-UHFFFAOYSA-N 0 3 319.411 3.598 20 5 DHBDHN CS[C@@H]1CC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343275 1012468202 /nfs/dbraw/zinc/46/82/02/1012468202.db2.gz RMWGKUYQTQMVBV-NWDGAFQWSA-N 0 3 320.336 3.597 20 5 DHBDHN CS[C@@H]1CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343279 1012469526 /nfs/dbraw/zinc/46/95/26/1012469526.db2.gz RMWGKUYQTQMVBV-VXGBXAGGSA-N 0 3 320.336 3.597 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000515379583 1012613039 /nfs/dbraw/zinc/61/30/39/1012613039.db2.gz HJQOIASGPZGEKD-UKRRQHHQSA-N 0 3 324.808 3.639 20 5 DHBDHN Cc1c([C@H](C)NCc2ccc3cnn(C)c3c2)cccc1[N+](=O)[O-] ZINC000517640173 1013034368 /nfs/dbraw/zinc/03/43/68/1013034368.db2.gz QVTFPYQHEOUNEQ-ZDUSSCGKSA-N 0 3 324.384 3.641 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCCc2ccccc2F)c(F)c1 ZINC000475565285 1017438544 /nfs/dbraw/zinc/43/85/44/1017438544.db2.gz LDBIOQLDNCJBLU-UHFFFAOYSA-N 0 3 306.312 3.595 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000526001433 1018436170 /nfs/dbraw/zinc/43/61/70/1018436170.db2.gz WVDIGYUPYUVGJX-AWEZNQCLSA-N 0 3 300.333 3.723 20 5 DHBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000524425118 1019446478 /nfs/dbraw/zinc/44/64/78/1019446478.db2.gz GUTUOYQUSZGRQZ-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228829 1020152511 /nfs/dbraw/zinc/15/25/11/1020152511.db2.gz KJLHZRFVCSRQDS-QMTHXVAHSA-N 0 3 310.419 3.538 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000154912486 1020163709 /nfs/dbraw/zinc/16/37/09/1020163709.db2.gz YPVZVBHOMSSJLO-QGZVFWFLSA-N 0 3 311.385 3.671 20 5 DHBDHN Cc1ccc(CN2CCC(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000093705009 1020169900 /nfs/dbraw/zinc/16/99/00/1020169900.db2.gz FPHJWUVPMGGYHH-UHFFFAOYSA-N 0 3 318.417 3.542 20 5 DHBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000612185764 1020389188 /nfs/dbraw/zinc/38/91/88/1020389188.db2.gz IPHSBYUAOZIEPK-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177807066 1020807372 /nfs/dbraw/zinc/80/73/72/1020807372.db2.gz ZCRGFSNCZISZHN-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN O=[N+]([O-])c1cccc(CNCCOc2ccc(Cl)c(F)c2)c1 ZINC001202397718 1021248132 /nfs/dbraw/zinc/24/81/32/1021248132.db2.gz LJORUYVXKBWZMP-UHFFFAOYSA-N 0 3 324.739 3.556 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850376319 1021497294 /nfs/dbraw/zinc/49/72/94/1021497294.db2.gz XLQHTVYCHMRRCG-AMVALYDKSA-N 0 3 324.380 3.766 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCCC(F)(F)C1 ZINC000695083596 1021508325 /nfs/dbraw/zinc/50/83/25/1021508325.db2.gz XFLUXEVBYOCKFR-NSHDSACASA-N 0 3 304.724 3.916 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCSC(C)(C)C ZINC000850443537 1021537941 /nfs/dbraw/zinc/53/79/41/1021537941.db2.gz SUKFLVBXUBYQTE-LLVKDONJSA-N 0 3 312.435 3.786 20 5 DHBDHN Cc1noc(C)c1[C@H](C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893179354 1022167723 /nfs/dbraw/zinc/16/77/23/1022167723.db2.gz PJXRIZJDGBHKSA-SECBINFHSA-N 0 3 323.780 3.746 20 5 DHBDHN CCSC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000691821044 1022973525 /nfs/dbraw/zinc/97/35/25/1022973525.db2.gz YSTGUNDLWICYAP-UHFFFAOYSA-N 0 3 300.811 3.624 20 5 DHBDHN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)C(C)C ZINC000112656961 1023815028 /nfs/dbraw/zinc/81/50/28/1023815028.db2.gz WMZPAVVMSGKQBY-GFCCVEGCSA-N 0 3 318.377 3.511 20 5 DHBDHN C[C@H](NCc1ccc(C2CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776224 1023937433 /nfs/dbraw/zinc/93/74/33/1023937433.db2.gz KZPQOZWBOOZLRT-LBPRGKRZSA-N 0 3 311.385 3.905 20 5 DHBDHN CCN(CCc1nccs1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270789634 1024429901 /nfs/dbraw/zinc/42/99/01/1024429901.db2.gz JQULAHDEHRGIKF-GFCCVEGCSA-N 0 3 305.403 3.677 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1C1CCOCC1 ZINC000348946444 1024654038 /nfs/dbraw/zinc/65/40/38/1024654038.db2.gz GJIDZDUPCIRGQC-OAHLLOKOSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCOc1ccccc1F ZINC000050507869 1024778171 /nfs/dbraw/zinc/77/81/71/1024778171.db2.gz GIRPTLJNRUFBJU-CYBMUJFWSA-N 0 3 318.348 3.806 20 5 DHBDHN C[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCCO1 ZINC000170774071 1024873801 /nfs/dbraw/zinc/87/38/01/1024873801.db2.gz XWZVSHZMVDYJIL-CQSZACIVSA-N 0 3 323.392 3.557 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@]2(CCCOC2)C1 ZINC000353746090 1025228345 /nfs/dbraw/zinc/22/83/45/1025228345.db2.gz KVMWYXZBRBPAIX-NTSMAEHXSA-N 0 3 316.401 3.501 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@H]1CCc1ccccc1 ZINC000885958837 1025419740 /nfs/dbraw/zinc/41/97/40/1025419740.db2.gz MPOGYRFVKBPICY-KRWDZBQOSA-N 0 3 311.385 3.587 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000355484818 1025741894 /nfs/dbraw/zinc/74/18/94/1025741894.db2.gz KNBARZUAOYQCOP-KRWDZBQOSA-N 0 3 300.333 3.901 20 5 DHBDHN Cc1cnc(CCN(C)C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000093773497 1026128831 /nfs/dbraw/zinc/12/88/31/1026128831.db2.gz CCDRQKYVTAFODF-FNORWQNLSA-N 0 3 317.414 3.547 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1(C2CC2)CC1 ZINC000809975259 1026652109 /nfs/dbraw/zinc/65/21/09/1026652109.db2.gz DACVJJPECIYYMD-UHFFFAOYSA-N 0 3 301.173 3.934 20 5 DHBDHN COC[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000809975350 1026652550 /nfs/dbraw/zinc/65/25/50/1026652550.db2.gz GNESGDCJECCKAN-LBPRGKRZSA-N 0 3 321.204 3.662 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCS1 ZINC000811483438 1027009314 /nfs/dbraw/zinc/00/93/14/1027009314.db2.gz JKXJPOQYSZGYGV-JTQLQIEISA-N 0 3 321.229 3.887 20 5 DHBDHN CSC1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811497468 1027012448 /nfs/dbraw/zinc/01/24/48/1027012448.db2.gz OCWMDURPVRSDBX-UHFFFAOYSA-N 0 3 321.229 3.887 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCC[C@H]1CCCO1 ZINC000811473933 1027015372 /nfs/dbraw/zinc/01/53/72/1027015372.db2.gz QZZFZHPOOKTEEE-LLVKDONJSA-N 0 3 319.188 3.560 20 5 DHBDHN CC(COC(=O)CC(C)(C)Cc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813101519 1027521586 /nfs/dbraw/zinc/52/15/86/1027521586.db2.gz CRYGYONULVXOPI-NSHDSACASA-N 0 3 313.781 3.507 20 5 DHBDHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000575929986 1027529277 /nfs/dbraw/zinc/52/92/77/1027529277.db2.gz YMEFHKYIYGIGSG-DYVFJYSZSA-N 0 3 314.385 3.986 20 5 DHBDHN CC(COC(=O)c1cc(-c2ccccc2)ccc1Cl)[N+](=O)[O-] ZINC000813109130 1027534681 /nfs/dbraw/zinc/53/46/81/1027534681.db2.gz FVSLUGTUQLIUQD-NSHDSACASA-N 0 3 319.744 3.829 20 5 DHBDHN CC(C)c1ccc(CN2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000448361125 1027757848 /nfs/dbraw/zinc/75/78/48/1027757848.db2.gz VWWGJIGLTGOWPT-GOEBONIOSA-N 0 3 320.433 3.844 20 5 DHBDHN C[C@@H](N[C@@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875632 1027853363 /nfs/dbraw/zinc/85/33/63/1027853363.db2.gz UCUQGRVVBUAQBU-CZUORRHYSA-N 0 3 304.390 3.737 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc2cnn(C)c2c1 ZINC000579183903 1028342978 /nfs/dbraw/zinc/34/29/78/1028342978.db2.gz ZKPLYROFMFGFIC-ZDUSSCGKSA-N 0 3 324.384 3.641 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCc2ccc(F)cc21 ZINC000565216548 1028557927 /nfs/dbraw/zinc/55/79/27/1028557927.db2.gz KGGKUUWFSYJHCU-DLBZAZTESA-N 0 3 312.344 3.998 20 5 DHBDHN Cc1noc(C)c1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449496227 1028711032 /nfs/dbraw/zinc/71/10/32/1028711032.db2.gz GEWIVPUEEDFBLG-OAHLLOKOSA-N 0 3 315.373 3.579 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCOC2)CC1 ZINC000371636699 1028737354 /nfs/dbraw/zinc/73/73/54/1028737354.db2.gz DOALVGSIKNJYNP-WMLDXEAASA-N 0 3 318.417 3.794 20 5 DHBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449519599 1028742723 /nfs/dbraw/zinc/74/27/23/1028742723.db2.gz DGQVYCOUZHXMHD-NVXWUHKLSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@H](c3cccs3)C2)cs1 ZINC000449620696 1028856181 /nfs/dbraw/zinc/85/61/81/1028856181.db2.gz FSESCMODPPFECS-RYUDHWBXSA-N 0 3 324.427 3.728 20 5 DHBDHN Cc1cnc([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374231793 1029250369 /nfs/dbraw/zinc/25/03/69/1029250369.db2.gz XSFKMORIHSGIPF-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(O)c1 ZINC000530342082 1029820863 /nfs/dbraw/zinc/82/08/63/1029820863.db2.gz VVYSVSNWXRWSCI-ZROIWOOFSA-N 0 3 312.369 3.836 20 5 DHBDHN COC1CCC(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872041288 1031426012 /nfs/dbraw/zinc/42/60/12/1031426012.db2.gz HCQYGFYPCXLWRI-HIFPTAJRSA-N 0 3 310.369 3.590 20 5 DHBDHN Cc1cnc([C@H](C)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063221 1031458240 /nfs/dbraw/zinc/45/82/40/1031458240.db2.gz VHJHZNBJWYAEBX-KOLCDFICSA-N 0 3 323.393 3.953 20 5 DHBDHN C[C@@H](NC[C@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069827 1031464319 /nfs/dbraw/zinc/46/43/19/1031464319.db2.gz VMGRPWZHEORYKG-ZJUUUORDSA-N 0 3 302.296 3.820 20 5 DHBDHN COCC1(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872073104 1031469762 /nfs/dbraw/zinc/46/97/62/1031469762.db2.gz MOHRMFRMTOWMJS-LBPRGKRZSA-N 0 3 310.369 3.591 20 5 DHBDHN C[C@@H](NC[C@@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077892 1031475133 /nfs/dbraw/zinc/47/51/33/1031475133.db2.gz NGFLHZJBGAJIOK-VXGBXAGGSA-N 0 3 310.369 3.590 20 5 DHBDHN C[C@H](NCC[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083890 1031479400 /nfs/dbraw/zinc/47/94/00/1031479400.db2.gz BXCOQWATXMORPP-TVQRCGJNSA-N 0 3 302.296 3.820 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000872090263 1031487188 /nfs/dbraw/zinc/48/71/88/1031487188.db2.gz OVOPVHVZQFWTAW-NVBFEUDRSA-N 0 3 322.430 3.535 20 5 DHBDHN C[C@@H](NC[C@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091164 1031488042 /nfs/dbraw/zinc/48/80/42/1031488042.db2.gz GATNDSUQMPMFDP-CHWSQXEVSA-N 0 3 322.380 3.591 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1SCCc2ccccc21 ZINC000537328392 1031572556 /nfs/dbraw/zinc/57/25/56/1031572556.db2.gz AMSFHEYPOGQRTK-KRWDZBQOSA-N 0 3 314.410 3.715 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1SCCc2ccccc21 ZINC000537328400 1031572619 /nfs/dbraw/zinc/57/26/19/1031572619.db2.gz AMSFHEYPOGQRTK-QGZVFWFLSA-N 0 3 314.410 3.715 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCSC1 ZINC000293690083 1031572967 /nfs/dbraw/zinc/57/29/67/1031572967.db2.gz BTKQPRHHFLFSGN-LLVKDONJSA-N 0 3 320.336 3.551 20 5 DHBDHN CC[C@@H](CSC)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124329282 1031685675 /nfs/dbraw/zinc/68/56/75/1031685675.db2.gz PBUPSEWFJSMJNQ-NSHDSACASA-N 0 3 302.827 3.822 20 5 DHBDHN COCc1ccccc1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008840 1031690632 /nfs/dbraw/zinc/69/06/32/1031690632.db2.gz QCFDRGBRGZFVBS-UHFFFAOYSA-N 0 3 314.385 3.648 20 5 DHBDHN CC([C@H](OC(=O)CCC1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876647 1031747073 /nfs/dbraw/zinc/74/70/73/1031747073.db2.gz NHPGCPFUZGPWPS-BZNIZROVSA-N 0 3 309.337 3.656 20 5 DHBDHN Cc1ccsc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872875 1031748400 /nfs/dbraw/zinc/74/84/00/1031748400.db2.gz QABCZDQBSMUVLU-GWCFXTLKSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845877521 1031750737 /nfs/dbraw/zinc/75/07/37/1031750737.db2.gz QBXBNHYJVLAVHV-MCYUEQNJSA-N 0 3 309.337 3.511 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2ccccc2)C1 ZINC000476231305 1031772168 /nfs/dbraw/zinc/77/21/68/1031772168.db2.gz LJYKFCANXPXFEL-OAHLLOKOSA-N 0 3 312.369 3.593 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCC4(CC4)C3)nc2c1 ZINC000897772054 1031823339 /nfs/dbraw/zinc/82/33/39/1031823339.db2.gz LCJBLYSRONUHSZ-NSHDSACASA-N 0 3 301.346 3.548 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898748 1033434655 /nfs/dbraw/zinc/43/46/55/1033434655.db2.gz IYSKYKSWQQPUHK-BXUZGUMPSA-N 0 3 317.414 3.650 20 5 DHBDHN C[C@]1(F)CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001172905813 1033437719 /nfs/dbraw/zinc/43/77/19/1033437719.db2.gz UUHYVNNSNZLTPG-OIISXLGYSA-N 0 3 324.371 3.614 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](C)C[C@@H]2C)c1F ZINC001173189889 1033585073 /nfs/dbraw/zinc/58/50/73/1033585073.db2.gz OICIJNPSJOJHKY-AGIUHOORSA-N 0 3 324.396 3.794 20 5 DHBDHN C[C@@H](N)c1nc2ccccc2n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211415 1033613617 /nfs/dbraw/zinc/61/36/17/1033613617.db2.gz RUPNHXLHBLATFY-QWHCGFSZSA-N 0 3 324.384 3.768 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(F)c(F)c1F ZINC001173212599 1033614669 /nfs/dbraw/zinc/61/46/69/1033614669.db2.gz BIFWELAWBIKSEV-JTQLQIEISA-N 0 3 324.302 3.733 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cc(F)c1F ZINC001173213514 1033614789 /nfs/dbraw/zinc/61/47/89/1033614789.db2.gz IDKUNDNFHRRECM-JTQLQIEISA-N 0 3 324.302 3.733 20 5 DHBDHN Cc1nc([C@@H](C)N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213116 1033614842 /nfs/dbraw/zinc/61/48/42/1033614842.db2.gz FJYIYXAYKZMLIS-WDEREUQCSA-N 0 3 305.403 3.642 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264956 1033642483 /nfs/dbraw/zinc/64/24/83/1033642483.db2.gz WABRSGAKGVXMAC-JSGCOSHPSA-N 0 3 303.362 3.729 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000553262347 1033645380 /nfs/dbraw/zinc/64/53/80/1033645380.db2.gz QZYZVAVMVRWVJA-BXUZGUMPSA-N 0 3 321.352 3.868 20 5 DHBDHN CCC[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)OCC ZINC000862434763 1033850035 /nfs/dbraw/zinc/85/00/35/1033850035.db2.gz GOAZVPZAJPISIA-LBPRGKRZSA-N 0 3 300.786 3.543 20 5 DHBDHN Cc1c([C@H](C)NCc2ccc([C@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550138 1034246355 /nfs/dbraw/zinc/24/63/55/1034246355.db2.gz GDCQKYVVJQEOJL-KBPBESRZSA-N 0 3 314.385 3.807 20 5 DHBDHN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000178649161 1034255139 /nfs/dbraw/zinc/25/51/39/1034255139.db2.gz WVPNZKQWIJNVES-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nccs2)C1 ZINC000880318360 1034295825 /nfs/dbraw/zinc/29/58/25/1034295825.db2.gz YCVSEPOFYWYQKR-VXGBXAGGSA-N 0 3 303.387 3.602 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000600189671 1034797863 /nfs/dbraw/zinc/79/78/63/1034797863.db2.gz LWLWAPRZANXMAK-SZWGIHMLSA-N 0 3 304.415 3.578 20 5 DHBDHN CCCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000159415501 1035048718 /nfs/dbraw/zinc/04/87/18/1035048718.db2.gz XBBVIKNCTJDYSX-UHFFFAOYSA-N 0 3 313.195 3.732 20 5 DHBDHN CN1CCc2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2C1 ZINC001175905397 1035157255 /nfs/dbraw/zinc/15/72/55/1035157255.db2.gz NPPQJSQNUJZNSH-DHZHZOJOSA-N 0 3 309.369 3.666 20 5 DHBDHN COc1c([O-])ccc(C[N@H+](C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001181410193 1035915921 /nfs/dbraw/zinc/91/59/21/1035915921.db2.gz JORHLPCTHIAYEO-LBPRGKRZSA-N 0 3 322.405 3.710 20 5 DHBDHN COc1c([O-])ccc(C[N@@H+](C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001181410193 1035915936 /nfs/dbraw/zinc/91/59/36/1035915936.db2.gz JORHLPCTHIAYEO-LBPRGKRZSA-N 0 3 322.405 3.710 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1C(C)(C)C1(F)F ZINC000595095272 1035926330 /nfs/dbraw/zinc/92/63/30/1035926330.db2.gz VITPTGGTHATUSV-TVQRCGJNSA-N 0 3 314.332 3.545 20 5 DHBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000443344501 1036085142 /nfs/dbraw/zinc/08/51/42/1036085142.db2.gz LDMDUVBGZKCGQC-UHFFFAOYSA-N 0 3 318.417 3.561 20 5 DHBDHN Cc1c(CN(C)C2CC(OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001195267975 1036198779 /nfs/dbraw/zinc/19/87/79/1036198779.db2.gz BOWGOOZRBQDPHX-UHFFFAOYSA-N 0 3 306.406 3.681 20 5 DHBDHN CCOc1cc(CN(C)[C@H](CC)CSC)ccc1[N+](=O)[O-] ZINC000492723877 1036988447 /nfs/dbraw/zinc/98/84/47/1036988447.db2.gz RHZOAZPNGFITFD-CYBMUJFWSA-N 0 3 312.435 3.567 20 5 DHBDHN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000489066299 1037258830 /nfs/dbraw/zinc/25/88/30/1037258830.db2.gz CDPOQMHQZWEIIL-CYBMUJFWSA-N 0 3 302.349 3.797 20 5 DHBDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000151030249 1037693728 /nfs/dbraw/zinc/69/37/28/1037693728.db2.gz QZSCZBLISMPRMM-PIGZYNQJSA-N 0 3 300.333 3.757 20 5 DHBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1Cc1ccccc1 ZINC000917007015 1038114892 /nfs/dbraw/zinc/11/48/92/1038114892.db2.gz VXRVHQWERNRISC-QGZVFWFLSA-N 0 3 314.360 3.941 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550222 1038703681 /nfs/dbraw/zinc/70/36/81/1038703681.db2.gz VYTHDEJSCZTCRU-KOLCDFICSA-N 0 3 303.189 3.748 20 5 DHBDHN C[C@H](c1cccs1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046054719 1039061368 /nfs/dbraw/zinc/06/13/68/1039061368.db2.gz GGJNBBHWCVAYOC-GFCCVEGCSA-N 0 3 306.387 3.728 20 5 DHBDHN CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000594936248 1039955217 /nfs/dbraw/zinc/95/52/17/1039955217.db2.gz ACSWCOPIWCFNPL-UHFFFAOYSA-N 0 3 314.385 3.900 20 5 DHBDHN CC[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041521 1040011437 /nfs/dbraw/zinc/01/14/37/1040011437.db2.gz DYQZKULXDAXBBR-UKRRQHHQSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(OC)CCCCC1 ZINC000595032776 1040041477 /nfs/dbraw/zinc/04/14/77/1040041477.db2.gz MIRNQXIMTONJON-CYBMUJFWSA-N 0 3 322.405 3.603 20 5 DHBDHN CC(C)[C@H](CC(F)(F)F)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595446961 1040141837 /nfs/dbraw/zinc/14/18/37/1040141837.db2.gz FNVNGYBRUQXHDT-NSHDSACASA-N 0 3 308.275 3.801 20 5 DHBDHN Cc1noc(CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595479629 1040149457 /nfs/dbraw/zinc/14/94/57/1040149457.db2.gz GAVFXZPOIFXNLC-SWLSCSKDSA-N 0 3 315.373 3.578 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595787539 1040255699 /nfs/dbraw/zinc/25/56/99/1040255699.db2.gz JRLNHUMXEHCXGW-KSSFIOAISA-N 0 3 318.417 3.937 20 5 DHBDHN C[C@H]1C[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000596154974 1040331046 /nfs/dbraw/zinc/33/10/46/1040331046.db2.gz GLJORNOEWNIEHU-ONGXEEELSA-N 0 3 311.332 3.570 20 5 DHBDHN CC(C)(C)N1CC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596308264 1040378583 /nfs/dbraw/zinc/37/85/83/1040378583.db2.gz JBNWIACRTBAJEF-NSHDSACASA-N 0 3 313.348 3.817 20 5 DHBDHN C[C@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691831 1041154549 /nfs/dbraw/zinc/15/45/49/1041154549.db2.gz UCTMPLDWPFLNRE-GZMMTYOYSA-N 0 3 320.336 3.597 20 5 DHBDHN CC[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Br ZINC000042555433 183284385 /nfs/dbraw/zinc/28/43/85/183284385.db2.gz CXVLWZYYBFCGDL-VHSXEESVSA-N 0 3 315.211 3.882 20 5 DHBDHN CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000057364280 184036237 /nfs/dbraw/zinc/03/62/37/184036237.db2.gz ANQZYZRUCQOEHX-GOSISDBHSA-N 0 3 313.401 3.872 20 5 DHBDHN C[C@H](NCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000120532947 195185374 /nfs/dbraw/zinc/18/53/74/195185374.db2.gz QSBQAJPSJBRFCE-ZDUSSCGKSA-N 0 3 307.353 3.994 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000272409649 130027420 /nfs/dbraw/zinc/02/74/20/130027420.db2.gz FOQPBSMSGHVPKD-UONOGXRCSA-N 0 3 314.389 3.567 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000272677299 130052511 /nfs/dbraw/zinc/05/25/11/130052511.db2.gz UULHYZDGNVDFEU-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN COc1ccsc1[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000274578835 130246971 /nfs/dbraw/zinc/24/69/71/130246971.db2.gz KOSLMFFQLIDSOB-LLVKDONJSA-N 0 3 306.387 3.558 20 5 DHBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cn1 ZINC000274880204 130270350 /nfs/dbraw/zinc/27/03/50/130270350.db2.gz HHCMSINZPZZTEP-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2COc3ccccc32)c1 ZINC000288526179 131329192 /nfs/dbraw/zinc/32/91/92/131329192.db2.gz JXJUZYCXFAWXMK-GFCCVEGCSA-N 0 3 318.760 3.514 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000289288959 131371083 /nfs/dbraw/zinc/37/10/83/131371083.db2.gz HABAVYMTCUJVFY-WMLDXEAASA-N 0 3 311.385 3.930 20 5 DHBDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000297267882 132006155 /nfs/dbraw/zinc/00/61/55/132006155.db2.gz KMPUHDPWRVJGLW-SGTLLEGYSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000297267878 132006657 /nfs/dbraw/zinc/00/66/57/132006657.db2.gz KMPUHDPWRVJGLW-KPZWWZAWSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1ccc([C@@H](C)NCC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988850 132084823 /nfs/dbraw/zinc/08/48/23/132084823.db2.gz PUQZEQOERXSJKF-KDOFPFPSSA-N 0 3 314.385 3.678 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCc2c1cccc2O ZINC000557781657 331815689 /nfs/dbraw/zinc/81/56/89/331815689.db2.gz DPUHZWBWGPHMQI-DQOPKJQZSA-N 0 3 310.353 3.591 20 5 DHBDHN CCC(CC)(CNCc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000394261993 332013247 /nfs/dbraw/zinc/01/32/47/332013247.db2.gz MRQLNJUHVGFOTN-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN CCN1CCCC[C@H]1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000518450519 332047401 /nfs/dbraw/zinc/04/74/01/332047401.db2.gz IWUNGZILDSNCHG-INIZCTEOSA-N 0 3 319.449 3.682 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000151002835 332676613 /nfs/dbraw/zinc/67/66/13/332676613.db2.gz JNYLRXDOHSVPIQ-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN COc1ccc(CN2CCC(C)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000569970323 332697954 /nfs/dbraw/zinc/69/79/54/332697954.db2.gz LCOSBLMXSYLICZ-UHFFFAOYSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1cccc(CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000563060945 333226648 /nfs/dbraw/zinc/22/66/48/333226648.db2.gz RTENQGUIVALQMF-UHFFFAOYSA-N 0 3 313.401 3.751 20 5 DHBDHN COCc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119577374 333255592 /nfs/dbraw/zinc/25/55/92/333255592.db2.gz ZYYYHENGTUAVGY-ZDUSSCGKSA-N 0 3 300.358 3.592 20 5 DHBDHN CC(C)OCCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228564021 333390632 /nfs/dbraw/zinc/39/06/32/333390632.db2.gz ACWYOMGLDZUZLB-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN Cc1cc(NC[C@H]2CCSC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228581851 333391783 /nfs/dbraw/zinc/39/17/83/333391783.db2.gz JBLOKXDKKHGPFY-LLVKDONJSA-N 0 3 303.387 3.616 20 5 DHBDHN CO[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701769 333547958 /nfs/dbraw/zinc/54/79/58/333547958.db2.gz FZFFFINPUBHVLI-RDTXWAMCSA-N 0 3 314.385 3.942 20 5 DHBDHN CO[C@@](C)([C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943303 333714752 /nfs/dbraw/zinc/71/47/52/333714752.db2.gz IUMZJIIJGULSOE-BONVTDFDSA-N 0 3 312.797 3.541 20 5 DHBDHN C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503965 334000403 /nfs/dbraw/zinc/00/04/03/334000403.db2.gz RPTYLJOAQSZBND-NWDGAFQWSA-N 0 3 318.398 3.838 20 5 DHBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)OCC1CC1 ZINC000414506981 334001035 /nfs/dbraw/zinc/00/10/35/334001035.db2.gz VDVUZRHXDMFPTN-UHFFFAOYSA-N 0 3 312.797 3.543 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCc2cc(N)ccc21 ZINC000414937487 334199813 /nfs/dbraw/zinc/19/98/13/334199813.db2.gz VSSJYECABIXAHH-GOSISDBHSA-N 0 3 311.385 3.653 20 5 DHBDHN C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000388773374 334269773 /nfs/dbraw/zinc/26/97/73/334269773.db2.gz GFWUWAVVRHWXPO-ONGXEEELSA-N 0 3 317.311 3.508 20 5 DHBDHN COC1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417342232 334705709 /nfs/dbraw/zinc/70/57/09/334705709.db2.gz MGDOYCLPTBRINF-MRXNPFEDSA-N 0 3 304.390 3.521 20 5 DHBDHN C[C@H](N[C@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374316 334765352 /nfs/dbraw/zinc/76/53/52/334765352.db2.gz XZFGPYRRTAZRPP-BBRMVZONSA-N 0 3 306.406 3.577 20 5 DHBDHN CCC[C@H](NCC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313733 335240152 /nfs/dbraw/zinc/24/01/52/335240152.db2.gz ZODFBXCWWFYPQN-DLBZAZTESA-N 0 3 320.433 3.823 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@@H]2SCCc3ccccc32)cs1 ZINC000344757175 335273797 /nfs/dbraw/zinc/27/37/97/335273797.db2.gz KGGOJASQMXOGDZ-AWEZNQCLSA-N 0 3 320.439 3.777 20 5 DHBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000344704561 335273927 /nfs/dbraw/zinc/27/39/27/335273927.db2.gz VIVMDGASRCKDOI-MMPTUQATSA-N 0 3 318.398 3.699 20 5 DHBDHN CO[C@@H](c1ccccc1F)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000345700147 335343112 /nfs/dbraw/zinc/34/31/12/335343112.db2.gz JRAMHNOTRRHKIX-YVEFUNNKSA-N 0 3 318.348 3.600 20 5 DHBDHN Cc1c([C@H](C)N[C@@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550335 335529530 /nfs/dbraw/zinc/52/95/30/335529530.db2.gz BYNUAKMSJMOXPJ-UONOGXRCSA-N 0 3 308.422 3.741 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@H](C)c1ccc(F)cc1 ZINC000527355310 335837947 /nfs/dbraw/zinc/83/79/47/335837947.db2.gz JSTNHXUBSJCXGY-LBPRGKRZSA-N 0 3 318.348 3.636 20 5 DHBDHN Cc1cc(NC[C@@H](O)CC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000324219557 336110329 /nfs/dbraw/zinc/11/03/29/336110329.db2.gz VAUJRZCDMXENPF-ZDUSSCGKSA-N 0 3 317.389 3.660 20 5 DHBDHN Cc1nc2c(s1)[C@@H](NCc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000331757841 336147536 /nfs/dbraw/zinc/14/75/36/336147536.db2.gz AQJJSKUKNXUDHB-ZDUSSCGKSA-N 0 3 317.414 3.835 20 5 DHBDHN CN1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301823998 336332549 /nfs/dbraw/zinc/33/25/49/336332549.db2.gz CWJXOKGXMVIJPK-RDJZCZTQSA-N 0 3 315.348 3.591 20 5 DHBDHN CC[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966402 336379874 /nfs/dbraw/zinc/37/98/74/336379874.db2.gz KNQZSFBQTLPTKM-CABCVRRESA-N 0 3 306.406 3.982 20 5 DHBDHN CC(C)(C)CC[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359035562 336654565 /nfs/dbraw/zinc/65/45/65/336654565.db2.gz LQVMVJXLIVZXKY-RHSMWYFYSA-N 0 3 320.433 3.749 20 5 DHBDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305182711 337018019 /nfs/dbraw/zinc/01/80/19/337018019.db2.gz WPXCBPSTMXARNP-KBXCAEBGSA-N 0 3 314.385 3.759 20 5 DHBDHN Cc1cc(SCCN(C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000193745479 337079314 /nfs/dbraw/zinc/07/93/14/337079314.db2.gz BWNOIGHFIKSTLD-UHFFFAOYSA-N 0 3 317.414 3.522 20 5 DHBDHN CCOc1ccc([C@H](C)NCC2(SC)CC2)cc1[N+](=O)[O-] ZINC000193820845 337080338 /nfs/dbraw/zinc/08/03/38/337080338.db2.gz GKTGGAIRNPSEEH-NSHDSACASA-N 0 3 310.419 3.540 20 5 DHBDHN CO[C@H](C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000582573953 337107638 /nfs/dbraw/zinc/10/76/38/337107638.db2.gz XDTZATUMWBOXNZ-GFCCVEGCSA-N 0 3 320.414 3.790 20 5 DHBDHN C[C@@H](NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173348916 337134730 /nfs/dbraw/zinc/13/47/30/337134730.db2.gz MJMGNSMJBOYZCZ-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN CC[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705216 337177447 /nfs/dbraw/zinc/17/74/47/337177447.db2.gz DPBIUDBRMVWTHC-IUODEOHRSA-N 0 3 322.405 3.756 20 5 DHBDHN CC[C@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705159 337177450 /nfs/dbraw/zinc/17/74/50/337177450.db2.gz DPBIUDBRMVWTHC-WFASDCNBSA-N 0 3 322.405 3.756 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)COCC(F)(F)F ZINC000536883841 337844284 /nfs/dbraw/zinc/84/42/84/337844284.db2.gz ZITCIXKJKPGOLX-MNOVXSKESA-N 0 3 320.311 3.521 20 5 DHBDHN Cc1ccc([C@H](C)NCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000120145505 337870830 /nfs/dbraw/zinc/87/08/30/337870830.db2.gz CXEJKZHASPCXPZ-AWEZNQCLSA-N 0 3 300.358 3.633 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000426456833 338032695 /nfs/dbraw/zinc/03/26/95/338032695.db2.gz FISJWOTWGLFNIG-CJNGLKHVSA-N 0 3 304.390 3.756 20 5 DHBDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232220 338102294 /nfs/dbraw/zinc/10/22/94/338102294.db2.gz FWGQEWVMCGWENA-HIFRSBDPSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1c(CN(C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000432441055 338156511 /nfs/dbraw/zinc/15/65/11/338156511.db2.gz JILIEYCWSHWOFA-UHFFFAOYSA-N 0 3 313.401 3.601 20 5 DHBDHN C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933676 338195801 /nfs/dbraw/zinc/19/58/01/338195801.db2.gz YRIWHSGMPLBZDU-KSSFIOAISA-N 0 3 313.401 3.548 20 5 DHBDHN CC1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000435053718 338231101 /nfs/dbraw/zinc/23/11/01/338231101.db2.gz VFSGFESRTOTFLT-ALCCZGGFSA-N 0 3 306.431 3.826 20 5 DHBDHN CSc1ccc(CCNCc2csc([N+](=O)[O-])c2)cc1 ZINC000435742202 338247455 /nfs/dbraw/zinc/24/74/55/338247455.db2.gz TWWPMILINLPRMZ-UHFFFAOYSA-N 0 3 308.428 3.711 20 5 DHBDHN C[C@@H](c1ccco1)N(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440906396 338399791 /nfs/dbraw/zinc/39/97/91/338399791.db2.gz HFLGDDBKICAUPJ-ZDUSSCGKSA-N 0 3 316.357 3.792 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000446835779 338537597 /nfs/dbraw/zinc/53/75/97/338537597.db2.gz QHNWJJZHWYFZQV-STQMWFEESA-N 0 3 314.389 3.530 20 5 DHBDHN CC[C@H](Cc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853865 338538626 /nfs/dbraw/zinc/53/86/26/338538626.db2.gz SVNVRKPPNNNAKB-CQSZACIVSA-N 0 3 324.384 3.582 20 5 DHBDHN COc1ccccc1[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059005 338589298 /nfs/dbraw/zinc/58/92/98/338589298.db2.gz NVVKFGWNVDAMMR-KGLIPLIRSA-N 0 3 314.385 3.885 20 5 DHBDHN CC(C)n1ccc(C[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449346526 338615566 /nfs/dbraw/zinc/61/55/66/338615566.db2.gz AIXPXPRNYHUBCT-KBPBESRZSA-N 0 3 316.405 3.654 20 5 DHBDHN COc1cc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464678515 339148410 /nfs/dbraw/zinc/14/84/10/339148410.db2.gz PMWBRAYMBBPFNP-TYNCELHUSA-N 0 3 322.380 3.896 20 5 DHBDHN C[C@@H](COc1cccc(F)c1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467837139 339247305 /nfs/dbraw/zinc/24/73/05/339247305.db2.gz XSEMVSWXYJNGDD-STQMWFEESA-N 0 3 318.348 3.852 20 5 DHBDHN CC(C)C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000467979595 339250471 /nfs/dbraw/zinc/25/04/71/339250471.db2.gz BPPZJYNRUGLQNE-QGZVFWFLSA-N 0 3 313.401 3.909 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1scnc1C ZINC000468643809 339267829 /nfs/dbraw/zinc/26/78/29/339267829.db2.gz UFMZOAOVCAZCRZ-WDZFZDKYSA-N 0 3 303.387 3.553 20 5 DHBDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775200 339298919 /nfs/dbraw/zinc/29/89/19/339298919.db2.gz KKJRYQCTLMJCSB-XJKSGUPXSA-N 0 3 324.446 3.757 20 5 DHBDHN CC[C@H]1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183903 339313225 /nfs/dbraw/zinc/31/32/25/339313225.db2.gz SVOCJPFCNZDDLI-OVHOFWQVSA-N 0 3 306.431 3.826 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477861451 339503040 /nfs/dbraw/zinc/50/30/40/339503040.db2.gz NJWAWSWVHHYWHD-KSSFIOAISA-N 0 3 320.433 3.885 20 5 DHBDHN COC1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000479500156 339538353 /nfs/dbraw/zinc/53/83/53/339538353.db2.gz HNYXJQGOAIONOK-UUCFBXCCSA-N 0 3 306.406 3.841 20 5 DHBDHN C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000483624631 339669820 /nfs/dbraw/zinc/66/98/20/339669820.db2.gz LMMZZFDXOZFMTK-CHWSQXEVSA-N 0 3 318.348 3.852 20 5 DHBDHN CO[C@]1(C)C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873021 339677563 /nfs/dbraw/zinc/67/75/63/339677563.db2.gz SZHFRKGJWDBJTM-SRCQZFHVSA-N 0 3 306.406 3.757 20 5 DHBDHN CC(C)[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000498765853 340022995 /nfs/dbraw/zinc/02/29/95/340022995.db2.gz IZBHBAWGIWVMIB-QGZVFWFLSA-N 0 3 317.364 3.658 20 5 DHBDHN CCOCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000500746503 340066304 /nfs/dbraw/zinc/06/63/04/340066304.db2.gz ISKZAZPXTUHEJU-UHFFFAOYSA-N 0 3 320.414 3.792 20 5 DHBDHN CCN(CCc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000508707497 340251200 /nfs/dbraw/zinc/25/12/00/340251200.db2.gz TZEYNMXYRRDCMO-UHFFFAOYSA-N 0 3 320.414 3.730 20 5 DHBDHN COC[C@@H](C)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000510434724 340299231 /nfs/dbraw/zinc/29/92/31/340299231.db2.gz GBCQNVBJIXBXJF-GFCCVEGCSA-N 0 3 320.414 3.790 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933178 340315439 /nfs/dbraw/zinc/31/54/39/340315439.db2.gz MVJWFMAITDETOC-CZUORRHYSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H]1CSC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859765 340381098 /nfs/dbraw/zinc/38/10/98/340381098.db2.gz DXIZRUCLVDWHME-NHYWBVRUSA-N 0 3 318.398 3.696 20 5 DHBDHN C[C@@H](NCC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027906 340389291 /nfs/dbraw/zinc/38/92/91/340389291.db2.gz QTECEUJXHHYLMR-DIECRNLCSA-N 0 3 322.368 3.835 20 5 DHBDHN CC[C@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237001874 340667312 /nfs/dbraw/zinc/66/73/12/340667312.db2.gz QILCYERTDDTMPY-NSHDSACASA-N 0 3 304.346 3.752 20 5 DHBDHN C[C@@H](NCCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000542489185 341010105 /nfs/dbraw/zinc/01/01/05/341010105.db2.gz YMVNMIWCONDFIJ-CYBMUJFWSA-N 0 3 317.364 3.887 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)Cc1ccccc1 ZINC000542516847 341011600 /nfs/dbraw/zinc/01/16/00/341011600.db2.gz LHXPHDYGQNFBMQ-AWEZNQCLSA-N 0 3 314.385 3.572 20 5 DHBDHN CCc1cnc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000130282660 341013121 /nfs/dbraw/zinc/01/31/21/341013121.db2.gz XKIDMNYLZWZLET-LBPRGKRZSA-N 0 3 319.430 3.815 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704459 341054336 /nfs/dbraw/zinc/05/43/36/341054336.db2.gz HRULFTJPEUCBSI-IUODEOHRSA-N 0 3 306.406 3.900 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544440537 341082238 /nfs/dbraw/zinc/08/22/38/341082238.db2.gz SNSRTRIXSNYNIN-RRQGHBQHSA-N 0 3 320.433 3.693 20 5 DHBDHN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000564303888 341172827 /nfs/dbraw/zinc/17/28/27/341172827.db2.gz GLSIAKUOTNTOBO-UHFFFAOYSA-N 0 3 314.385 3.942 20 5 DHBDHN CC(C)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000548180591 341252034 /nfs/dbraw/zinc/25/20/34/341252034.db2.gz UUVDKEOGIFLWPH-UHFFFAOYSA-N 0 3 304.394 3.585 20 5 DHBDHN CC1(C)SC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233415 341289152 /nfs/dbraw/zinc/28/91/52/341289152.db2.gz WVRQHIQRXUFXEZ-ZIAGYGMSSA-N 0 3 306.431 3.801 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@](CO)(C(C)C)C1 ZINC000550063120 341309271 /nfs/dbraw/zinc/30/92/71/341309271.db2.gz GGPUTEGRWGOJLK-QAPCUYQASA-N 0 3 320.433 3.695 20 5 DHBDHN Cc1n[nH]cc1C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000551426627 341341535 /nfs/dbraw/zinc/34/15/35/341341535.db2.gz DDIURCZIMYUOPG-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN COCc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000268782013 341603921 /nfs/dbraw/zinc/60/39/21/341603921.db2.gz QANQLSKEOLKRSX-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCOC2(CCCCC2)C1 ZINC000268958150 341605886 /nfs/dbraw/zinc/60/58/86/341605886.db2.gz HGPBYWSQYMCLFP-HNNXBMFYSA-N 0 3 304.390 3.566 20 5 DHBDHN C[C@H](CCOCc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000342249635 341836506 /nfs/dbraw/zinc/83/65/06/341836506.db2.gz PBSVTZWUZHQJJZ-CYBMUJFWSA-N 0 3 320.414 3.741 20 5 DHBDHN COc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478865 341848588 /nfs/dbraw/zinc/84/85/88/341848588.db2.gz FORAIHWOHJQSOL-YVEFUNNKSA-N 0 3 312.369 3.942 20 5 DHBDHN CCc1nc(CCN[C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000157128316 522281816 /nfs/dbraw/zinc/28/18/16/522281816.db2.gz ZOABVEUPTLHUDJ-HNNXBMFYSA-N 0 3 319.430 3.897 20 5 DHBDHN CC[C@H](NC[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156989186 522624892 /nfs/dbraw/zinc/62/48/92/522624892.db2.gz ZQLXYNOWUGXNNL-GOEBONIOSA-N 0 3 320.414 3.605 20 5 DHBDHN CC[C@H](NC[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156988877 522639336 /nfs/dbraw/zinc/63/93/36/522639336.db2.gz ZQLXYNOWUGXNNL-HOCLYGCPSA-N 0 3 320.414 3.605 20 5 DHBDHN C[C@H](NC[C@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776848 525411518 /nfs/dbraw/zinc/41/15/18/525411518.db2.gz BVOHDLAQGYOKNP-BLLLJJGKSA-N 0 3 319.430 3.610 20 5 DHBDHN C[C@@H](NC[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748322 525496524 /nfs/dbraw/zinc/49/65/24/525496524.db2.gz BURMJPRUOJQRIL-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](N[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431664 525684005 /nfs/dbraw/zinc/68/40/05/525684005.db2.gz MQKXFGIEGXTMGB-ZBFHGGJFSA-N 0 3 311.385 3.524 20 5 DHBDHN C[C@@]1(CNCc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000339446582 525849204 /nfs/dbraw/zinc/84/92/04/525849204.db2.gz CLSYTJKACMMQBT-HOCLYGCPSA-N 0 3 302.399 3.940 20 5 DHBDHN Cc1ccc([C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130690051 525977367 /nfs/dbraw/zinc/97/73/67/525977367.db2.gz ALXBZHWSNQNHHM-RDTXWAMCSA-N 0 3 314.385 3.596 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2=CCCC2)c1 ZINC000338198294 527370550 /nfs/dbraw/zinc/37/05/50/527370550.db2.gz WGIZKVGXAAFJNC-UHFFFAOYSA-N 0 3 312.316 3.786 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCOC2)s1 ZINC000237957124 527396646 /nfs/dbraw/zinc/39/66/46/527396646.db2.gz JWKWZVQDPZOUQF-LBPRGKRZSA-N 0 3 318.398 3.592 20 5 DHBDHN CC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000175869230 1014371337 /nfs/dbraw/zinc/37/13/37/1014371337.db2.gz YLDHSVZQTYECCH-UHFFFAOYSA-N 0 3 317.414 3.998 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831591 1014746101 /nfs/dbraw/zinc/74/61/01/1014746101.db2.gz AZPMCKGOUBQUAG-CABCVRRESA-N 0 3 324.808 3.686 20 5 DHBDHN Cc1ccnc([C@@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556929 1014995306 /nfs/dbraw/zinc/99/53/06/1014995306.db2.gz VXPUUJRAXBPUJW-GOEBONIOSA-N 0 3 311.385 3.849 20 5 DHBDHN CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)F ZINC000895534193 1015192579 /nfs/dbraw/zinc/19/25/79/1015192579.db2.gz HDQCYFLMWYSUQF-UHFFFAOYSA-N 0 3 313.304 3.507 20 5 DHBDHN COc1ccc(CN[C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000237316365 1015237500 /nfs/dbraw/zinc/23/75/00/1015237500.db2.gz GVQXOTDOPZBDDF-CYBMUJFWSA-N 0 3 318.398 3.832 20 5 DHBDHN CC(C)(NCC1=Cc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000175986228 1015544860 /nfs/dbraw/zinc/54/48/60/1015544860.db2.gz ZPNRQXOWAOXEKX-UHFFFAOYSA-N 0 3 324.380 3.896 20 5 DHBDHN COC(C)(C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183817983 1016356266 /nfs/dbraw/zinc/35/62/66/1016356266.db2.gz SCXFKUSLRWXUJK-JTQLQIEISA-N 0 3 300.786 3.541 20 5 DHBDHN CC[C@@H](NCc1cccc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119913355 1016427392 /nfs/dbraw/zinc/42/73/92/1016427392.db2.gz MMLQSNKZKKAEIN-GOSISDBHSA-N 0 3 313.401 3.902 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCc1nc2ccccc2s1 ZINC000072727533 1016862374 /nfs/dbraw/zinc/86/23/74/1016862374.db2.gz VZQVVXAUSVXOLK-UHFFFAOYSA-N 0 3 313.382 3.537 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000515379581 1012615598 /nfs/dbraw/zinc/61/55/98/1012615598.db2.gz HJQOIASGPZGEKD-DZGCQCFKSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@H](c1ccccc1F)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000515675385 1012694080 /nfs/dbraw/zinc/69/40/80/1012694080.db2.gz ZKRLGRQJUKRVHK-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN CC[C@H](C)[C@@H](C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609443 1017587689 /nfs/dbraw/zinc/58/76/89/1017587689.db2.gz NCQPGHHXESBWSV-NWDGAFQWSA-N 0 3 316.405 3.870 20 5 DHBDHN C[C@@H]1c2ccccc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001167622870 1017673448 /nfs/dbraw/zinc/67/34/48/1017673448.db2.gz ZVVKVNRYUCNTAF-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358274 1018223128 /nfs/dbraw/zinc/22/31/28/1018223128.db2.gz YFKMBJYKACGQRK-WFASDCNBSA-N 0 3 303.362 3.729 20 5 DHBDHN C[C@H](NCc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000152258261 1018304104 /nfs/dbraw/zinc/30/41/04/1018304104.db2.gz VTFDBYRLRAYTSH-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278375526 1018630603 /nfs/dbraw/zinc/63/06/03/1018630603.db2.gz LDGDFWLQDGPNFT-LLVKDONJSA-N 0 3 302.296 3.678 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000611090541 1019397874 /nfs/dbraw/zinc/39/78/74/1019397874.db2.gz HMSYSGSQJHARDT-CQSZACIVSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1ccc([C@H](C)NCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000611442197 1019487891 /nfs/dbraw/zinc/48/78/91/1019487891.db2.gz MUEXKOMBPPQLKT-LBPRGKRZSA-N 0 3 310.357 3.630 20 5 DHBDHN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922149378 1019531553 /nfs/dbraw/zinc/53/15/53/1019531553.db2.gz JYLRBWHGYWTPNQ-STQMWFEESA-N 0 3 312.369 3.769 20 5 DHBDHN COc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000079121379 1019674996 /nfs/dbraw/zinc/67/49/96/1019674996.db2.gz ITNSCZLHVKAAJV-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN COc1ccc(CNC(C)(C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000130451922 1032866494 /nfs/dbraw/zinc/86/64/94/1032866494.db2.gz HEZRUNUCLONTKE-UHFFFAOYSA-N 0 3 314.385 3.937 20 5 DHBDHN C[C@H](NCc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC001168604346 1020105471 /nfs/dbraw/zinc/10/54/71/1020105471.db2.gz NSQQIANUKHOQDL-ZDUSSCGKSA-N 0 3 307.353 3.994 20 5 DHBDHN Cc1ccc(CCNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000734847600 1020667787 /nfs/dbraw/zinc/66/77/87/1020667787.db2.gz QALFQXDMULMNHT-UHFFFAOYSA-N 0 3 304.777 3.889 20 5 DHBDHN C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1[C@H](C)CC[C@H]1C ZINC000276269686 1021149666 /nfs/dbraw/zinc/14/96/66/1021149666.db2.gz ZJRVJEKPWRQYTL-UTUOFQBUSA-N 0 3 316.361 3.579 20 5 DHBDHN CC(C)c1ccc(CNCC2SCCS2)cc1[N+](=O)[O-] ZINC000850400519 1021509853 /nfs/dbraw/zinc/50/98/53/1021509853.db2.gz GCMZFTBOHGIYND-UHFFFAOYSA-N 0 3 312.460 3.614 20 5 DHBDHN CN(C)[C@@H]1CCOc2c(Nc3sccc3[N+](=O)[O-])cccc21 ZINC000618983951 1021606258 /nfs/dbraw/zinc/60/62/58/1021606258.db2.gz GZHCXURILXTJBI-GFCCVEGCSA-N 0 3 319.386 3.785 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000337493408 1033028470 /nfs/dbraw/zinc/02/84/70/1033028470.db2.gz GSALAIFLUQASPJ-CYBMUJFWSA-N 0 3 300.333 3.723 20 5 DHBDHN Cc1cc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000195269278 1022072384 /nfs/dbraw/zinc/07/23/84/1022072384.db2.gz YKKALYBAEKORFJ-GFCCVEGCSA-N 0 3 304.346 3.534 20 5 DHBDHN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000609598790 1022313378 /nfs/dbraw/zinc/31/33/78/1022313378.db2.gz PHISIYFQOROLQG-LLVKDONJSA-N 0 3 317.414 3.854 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000538457233 1033072610 /nfs/dbraw/zinc/07/26/10/1033072610.db2.gz PHONAJJBZPANSG-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN COc1cc(CN2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1F ZINC000184198771 1022773192 /nfs/dbraw/zinc/77/31/92/1022773192.db2.gz GEULRWYRWUODCP-CQSZACIVSA-N 0 3 308.353 3.507 20 5 DHBDHN CN(CC(=O)NC1CC1)Cc1c2ccccc2cc2ccccc21 ZINC000768204408 1022915526 /nfs/dbraw/zinc/91/55/26/1022915526.db2.gz XOGBAHNZUUUIRZ-UHFFFAOYSA-N 0 3 318.420 3.703 20 5 DHBDHN COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000173358531 1022944058 /nfs/dbraw/zinc/94/40/58/1022944058.db2.gz BLTUKWAGXYBIEM-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@@H](N[C@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499517 1023896145 /nfs/dbraw/zinc/89/61/45/1023896145.db2.gz VNNZOXPYNZJBJM-PXAZEXFGSA-N 0 3 311.385 3.905 20 5 DHBDHN COc1ccc(CN(C)[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000051428230 1024048461 /nfs/dbraw/zinc/04/84/61/1024048461.db2.gz IZGQGWFVGWSXIQ-ZDUSSCGKSA-N 0 3 300.358 3.796 20 5 DHBDHN CC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883353353 1024399995 /nfs/dbraw/zinc/39/99/95/1024399995.db2.gz SWFWWIGLRONIMT-DYEKYZERSA-N 0 3 310.369 3.590 20 5 DHBDHN C[C@H]1CC[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628422 1024561903 /nfs/dbraw/zinc/56/19/03/1024561903.db2.gz JIOGYNPGWKRWFA-STQMWFEESA-N 0 3 316.357 3.512 20 5 DHBDHN CCC[C@@H](NCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000323511301 1033220804 /nfs/dbraw/zinc/22/08/04/1033220804.db2.gz HYGOQHUWBNIZQK-GOSISDBHSA-N 0 3 314.385 3.718 20 5 DHBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2c2ccsc2)c1 ZINC000269694184 1024966135 /nfs/dbraw/zinc/96/61/35/1024966135.db2.gz WGJREWZSSFLUMJ-JKSUJKDBSA-N 0 3 318.398 3.527 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@]2(CCCOC2)C1 ZINC000353746088 1025226166 /nfs/dbraw/zinc/22/61/66/1025226166.db2.gz KVMWYXZBRBPAIX-BKSIFSGMSA-N 0 3 316.401 3.501 20 5 DHBDHN C[C@@H](CNCc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897460593 1025361556 /nfs/dbraw/zinc/36/15/56/1025361556.db2.gz IJSLQSFQFDNSTQ-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000354119679 1025362455 /nfs/dbraw/zinc/36/24/55/1025362455.db2.gz PCZSWQHWUUHBFA-UHFFFAOYSA-N 0 3 312.369 3.713 20 5 DHBDHN CSc1ccc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897463739 1025366851 /nfs/dbraw/zinc/36/68/51/1025366851.db2.gz HWNVENXPXQRAQY-NSHDSACASA-N 0 3 306.387 3.803 20 5 DHBDHN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886014615 1025438860 /nfs/dbraw/zinc/43/88/60/1025438860.db2.gz LPEMKDSBRRWEEY-SWLSCSKDSA-N 0 3 315.348 3.507 20 5 DHBDHN Cc1cc(N2C[C@@H](N3CCCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000804811809 1025485497 /nfs/dbraw/zinc/48/54/97/1025485497.db2.gz ABGRKOQAOAVVEG-STQMWFEESA-N 0 3 323.824 3.620 20 5 DHBDHN Cc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000563414915 1025741405 /nfs/dbraw/zinc/74/14/05/1025741405.db2.gz AQQASRSYXBWHAZ-INIZCTEOSA-N 0 3 300.333 3.819 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CCCOC2)C1 ZINC000355785043 1025840131 /nfs/dbraw/zinc/84/01/31/1025840131.db2.gz PBUMXAZBQRHNES-PBHICJAKSA-N 0 3 304.390 3.548 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000513496984 1026523894 /nfs/dbraw/zinc/52/38/94/1026523894.db2.gz OPYNLEDBQQUEJV-AWEZNQCLSA-N 0 3 300.333 3.723 20 5 DHBDHN C[C@H]1CSC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017406 1026666753 /nfs/dbraw/zinc/66/67/53/1026666753.db2.gz XAVVRTNYIUJUMK-WRWORJQWSA-N 0 3 321.229 3.743 20 5 DHBDHN CC(C)(CNCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000894264892 1027079805 /nfs/dbraw/zinc/07/98/05/1027079805.db2.gz UBXYAQMYMSSQFX-UHFFFAOYSA-N 0 3 310.703 3.926 20 5 DHBDHN COc1ccc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478863 1027622080 /nfs/dbraw/zinc/62/20/80/1027622080.db2.gz FORAIHWOHJQSOL-SJCJKPOMSA-N 0 3 312.369 3.942 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000934335923 1027970335 /nfs/dbraw/zinc/97/03/35/1027970335.db2.gz IAHMTCQSNRWURC-CHWSQXEVSA-N 0 3 317.414 3.677 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000934335926 1027970979 /nfs/dbraw/zinc/97/09/79/1027970979.db2.gz IAHMTCQSNRWURC-STQMWFEESA-N 0 3 317.414 3.677 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Cc2nccs2)C1 ZINC000934335925 1027971688 /nfs/dbraw/zinc/97/16/88/1027971688.db2.gz IAHMTCQSNRWURC-QWHCGFSZSA-N 0 3 317.414 3.677 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(C2CC2)cs1 ZINC000449192196 1028429231 /nfs/dbraw/zinc/42/92/31/1028429231.db2.gz PPQMQMBBVRTUFW-LLVKDONJSA-N 0 3 317.414 3.650 20 5 DHBDHN C[C@@H](NCc1cccc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571841 1028566338 /nfs/dbraw/zinc/56/63/38/1028566338.db2.gz NPAWRYRQPJOEHP-GFCCVEGCSA-N 0 3 322.368 3.576 20 5 DHBDHN CC1(C)OCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449415368 1028612076 /nfs/dbraw/zinc/61/20/76/1028612076.db2.gz NXTVEHSRRQSWMN-MRXNPFEDSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505736 1028728915 /nfs/dbraw/zinc/72/89/15/1028728915.db2.gz XMOWYJXYVGKVNA-QGZVFWFLSA-N 0 3 311.385 3.678 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889128 1028785406 /nfs/dbraw/zinc/78/54/06/1028785406.db2.gz WSCRLKAFMBNBLU-KGLIPLIRSA-N 0 3 312.797 3.541 20 5 DHBDHN Cc1cccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548800 1029910738 /nfs/dbraw/zinc/91/07/38/1029910738.db2.gz OLHXVDVICNBMIW-MRXNPFEDSA-N 0 3 311.385 3.678 20 5 DHBDHN CN(CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1[N+](=O)[O-] ZINC000822570943 1030063355 /nfs/dbraw/zinc/06/33/55/1030063355.db2.gz SPZWHJBXPSKGJZ-LLVKDONJSA-N 0 3 303.189 3.611 20 5 DHBDHN C[C@@H](CCc1cccnc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000866305224 1030212662 /nfs/dbraw/zinc/21/26/62/1030212662.db2.gz OYGKJFAFXDZSOC-LBPRGKRZSA-N 0 3 319.792 3.754 20 5 DHBDHN COc1ccc2c(c1)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000866539156 1030359869 /nfs/dbraw/zinc/35/98/69/1030359869.db2.gz HMEFKQXFCVHDOD-QGZVFWFLSA-N 0 3 312.369 3.689 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)C(C)(F)F ZINC000866547496 1030365657 /nfs/dbraw/zinc/36/56/57/1030365657.db2.gz XEYJGHVFDMCRAD-JTQLQIEISA-N 0 3 316.348 3.935 20 5 DHBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1(Cl)Cl ZINC000824771726 1030629850 /nfs/dbraw/zinc/62/98/50/1030629850.db2.gz COAHRKGWMOYGQA-NSHDSACASA-N 0 3 323.607 3.922 20 5 DHBDHN CCCC[C@H](C)N(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000558577429 1030658018 /nfs/dbraw/zinc/65/80/18/1030658018.db2.gz MEUHGRXPPDDAAS-LBPRGKRZSA-N 0 3 310.394 3.623 20 5 DHBDHN CCCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122987929 1030935592 /nfs/dbraw/zinc/93/55/92/1030935592.db2.gz OAOVWZQZXRHUDZ-UHFFFAOYSA-N 0 3 301.184 3.589 20 5 DHBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000844392766 1031097507 /nfs/dbraw/zinc/09/75/07/1031097507.db2.gz FTEBZMJLMWXHLD-IRXDYDNUSA-N 0 3 318.348 3.508 20 5 DHBDHN C[C@H](N[C@H]1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053030 1031440301 /nfs/dbraw/zinc/44/03/01/1031440301.db2.gz WAMUKUSMSQGPPA-HUBLWGQQSA-N 0 3 324.396 3.978 20 5 DHBDHN C[C@@H](NCC[C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060604 1031454612 /nfs/dbraw/zinc/45/46/12/1031454612.db2.gz RWOGTIVXIKRODU-UPJWGTAASA-N 0 3 310.369 3.590 20 5 DHBDHN C[C@@H](N[C@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068957 1031464188 /nfs/dbraw/zinc/46/41/88/1031464188.db2.gz KDRIQJDWXIBPTA-DOMZBBRYSA-N 0 3 322.380 3.734 20 5 DHBDHN C[C@H](NC[C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074831 1031472440 /nfs/dbraw/zinc/47/24/40/1031472440.db2.gz IVUSLBIQZFJCJY-QWHCGFSZSA-N 0 3 322.380 3.734 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCOC1(C)C ZINC000872076125 1031472935 /nfs/dbraw/zinc/47/29/35/1031472935.db2.gz XZNSHYNXLZKEDW-IINYFYTJSA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@H](NCCC1SCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088506 1031486528 /nfs/dbraw/zinc/48/65/28/1031486528.db2.gz PIYKNJGUNFGQPK-VIFPVBQESA-N 0 3 316.423 3.581 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000872090889 1031487929 /nfs/dbraw/zinc/48/79/29/1031487929.db2.gz FAZRXKILXCTWOB-YAMSLAJTSA-N 0 3 310.419 3.533 20 5 DHBDHN CC([C@H](OC(=O)[C@H]1CC12CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876037 1031748911 /nfs/dbraw/zinc/74/89/11/1031748911.db2.gz MQHPNNOKOHNXLJ-KYOSRNDESA-N 0 3 321.348 3.656 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H](C)C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881639 1031752232 /nfs/dbraw/zinc/75/22/32/1031752232.db2.gz MWKUFAAZSVDQDY-ZIBATOQPSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1csc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845881507 1031755426 /nfs/dbraw/zinc/75/54/26/1031755426.db2.gz LLHKKQIYMSJNPP-YGRLFVJLSA-N 0 3 323.345 3.759 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1cncs1 ZINC000897932144 1031874081 /nfs/dbraw/zinc/87/40/81/1031874081.db2.gz IHTYCCCUOVUAKQ-DSDFTUOUSA-N 0 3 303.387 3.805 20 5 DHBDHN Cc1c(CN2CC3(CCOCC3)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000877590567 1033373965 /nfs/dbraw/zinc/37/39/65/1033373965.db2.gz AZHAKWTVWROGNW-QGZVFWFLSA-N 0 3 318.417 3.540 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](C)[C@H]2C)c1F ZINC001173190931 1033584148 /nfs/dbraw/zinc/58/41/48/1033584148.db2.gz XRAHTWCNTUHFJO-RWMBFGLXSA-N 0 3 324.396 3.794 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](C)C[C@@H]2C)c1F ZINC001173189890 1033584916 /nfs/dbraw/zinc/58/49/16/1033584916.db2.gz OICIJNPSJOJHKY-AVGNSLFASA-N 0 3 324.396 3.794 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC001173228381 1033606174 /nfs/dbraw/zinc/60/61/74/1033606174.db2.gz VTXOBXIQDUQEOQ-WCQYABFASA-N 0 3 316.323 3.800 20 5 DHBDHN CC[C@@H](NCc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175051073 1033976482 /nfs/dbraw/zinc/97/64/82/1033976482.db2.gz WJYMLQHCVKZQSZ-QGZVFWFLSA-N 0 3 313.401 3.902 20 5 DHBDHN Cc1c(CNC/C=C\c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480455598 1034246995 /nfs/dbraw/zinc/24/69/95/1034246995.db2.gz MXCFTDLVGSTFES-ARJAWSKDSA-N 0 3 300.333 3.845 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@H](C2CC2)C1 ZINC001180081953 1035586666 /nfs/dbraw/zinc/58/66/66/1035586666.db2.gz OTVAHIZVLFHVJX-NSHDSACASA-N 0 3 314.307 3.846 20 5 DHBDHN C[C@@H]1CCCC[C@@H]1OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743597 1035713055 /nfs/dbraw/zinc/71/30/55/1035713055.db2.gz QTJMDDUZPJXWLK-QAPCUYQASA-N 0 3 320.433 3.664 20 5 DHBDHN CC[C@H](C)CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897265 1035769679 /nfs/dbraw/zinc/76/96/79/1035769679.db2.gz UTLCKQJMSNCRBJ-LBPRGKRZSA-N 0 3 303.362 3.728 20 5 DHBDHN Cc1ccc([C@H](C)NCc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000539530070 1035771477 /nfs/dbraw/zinc/77/14/77/1035771477.db2.gz AHROKPBRKHRIAT-LBPRGKRZSA-N 0 3 310.357 3.630 20 5 DHBDHN Cc1ccc([C@H](C)NCc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000539530070 1035771510 /nfs/dbraw/zinc/77/15/10/1035771510.db2.gz AHROKPBRKHRIAT-LBPRGKRZSA-N 0 3 310.357 3.630 20 5 DHBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000540173587 1035995454 /nfs/dbraw/zinc/99/54/54/1035995454.db2.gz FUQVDGLTPVICHE-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN CCC[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC001181988399 1036063728 /nfs/dbraw/zinc/06/37/28/1036063728.db2.gz ZYLAVFSDALHNPE-GFCCVEGCSA-N 0 3 320.311 3.518 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](OCCC(C)C)C1 ZINC000541772683 1036429151 /nfs/dbraw/zinc/42/91/51/1036429151.db2.gz HYSVMFGAKOQENN-KRWDZBQOSA-N 0 3 306.406 3.540 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCOCc1ccccc1 ZINC000464852264 1036472416 /nfs/dbraw/zinc/47/24/16/1036472416.db2.gz QVHLQCYNNUAKLU-HNNXBMFYSA-N 0 3 314.385 3.804 20 5 DHBDHN COc1ccc(CN[C@@H]2C[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902791 1036644974 /nfs/dbraw/zinc/64/49/74/1036644974.db2.gz VYYACGRXGPELGD-MLGOLLRUSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1ccccc1OCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521675 1037344456 /nfs/dbraw/zinc/34/44/56/1037344456.db2.gz JXTACSRKFOCEKQ-UHFFFAOYSA-N 0 3 320.776 3.725 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001190528945 1038337253 /nfs/dbraw/zinc/33/72/53/1038337253.db2.gz OPQVZPHOLMXYSS-QZTJIDSGSA-N 0 3 318.417 3.763 20 5 DHBDHN CCCN(CC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001190605551 1038352793 /nfs/dbraw/zinc/35/27/93/1038352793.db2.gz OZPHVXSCLFJNSZ-UHFFFAOYSA-N 0 3 301.184 3.589 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(CC=CCC2)C1 ZINC001190975695 1038411902 /nfs/dbraw/zinc/41/19/02/1038411902.db2.gz GPMSBKCOSDWAJX-GOSISDBHSA-N 0 3 316.401 3.926 20 5 DHBDHN CN(C/C=C/c1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000572801975 1038503940 /nfs/dbraw/zinc/50/39/40/1038503940.db2.gz INQJPSKIJHBGGJ-SNAWJCMRSA-N 0 3 314.360 3.922 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000590601793 1038675656 /nfs/dbraw/zinc/67/56/56/1038675656.db2.gz QMHUTOLJWFFCFN-CABCVRRESA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000598989925 1038968624 /nfs/dbraw/zinc/96/86/24/1038968624.db2.gz WDXRGWISLTWCIE-HYVNUMGLSA-N 0 3 314.772 3.676 20 5 DHBDHN Cc1ncccc1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599072780 1039030754 /nfs/dbraw/zinc/03/07/54/1039030754.db2.gz HVUWGAOFSNDINW-SFHVURJKSA-N 0 3 311.385 3.856 20 5 DHBDHN C[C@@H]1C[C@H]1c1ccc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000158017459 1039755651 /nfs/dbraw/zinc/75/56/51/1039755651.db2.gz BSOSDZFEDAUBAU-MLGOLLRUSA-N 0 3 300.358 3.644 20 5 DHBDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989601 1040004142 /nfs/dbraw/zinc/00/41/42/1040004142.db2.gz VCRTYKLEPUCUHL-CHWSQXEVSA-N 0 3 324.446 3.872 20 5 DHBDHN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000595046206 1040047035 /nfs/dbraw/zinc/04/70/35/1040047035.db2.gz JUNAUGIXZSUWEJ-UHOFOFEASA-N 0 3 322.405 3.602 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCc1ccco1 ZINC000602504510 1041071126 /nfs/dbraw/zinc/07/11/26/1041071126.db2.gz SATVAVNKMIGWGY-UHFFFAOYSA-N 0 3 314.263 3.539 20 5 DHBDHN C[C@H](Cc1cccs1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509737 1041077373 /nfs/dbraw/zinc/07/73/73/1041077373.db2.gz JLTKJWHZKZZMEQ-SNVBAGLBSA-N 0 3 317.370 3.518 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCCCc3cccs3)nc2c1 ZINC000602575731 1041111462 /nfs/dbraw/zinc/11/14/62/1041111462.db2.gz IWQLWBSNNVTOMM-UHFFFAOYSA-N 0 3 317.370 3.520 20 5 DHBDHN CC(C)C1(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602677056 1041158705 /nfs/dbraw/zinc/15/87/05/1041158705.db2.gz RIDXQLQTTOADCE-UHFFFAOYSA-N 0 3 319.224 3.697 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCc1ccoc1 ZINC000602707834 1041169425 /nfs/dbraw/zinc/16/94/25/1041169425.db2.gz BBXJPSXPGZMHMA-UHFFFAOYSA-N 0 3 314.263 3.539 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000602852129 1041260470 /nfs/dbraw/zinc/26/04/70/1041260470.db2.gz CPMDOLVEWLGXOS-ZBFHGGJFSA-N 0 3 311.385 3.930 20 5 DHBDHN CCCO[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093317018 193230213 /nfs/dbraw/zinc/23/02/13/193230213.db2.gz PZWYHAGZBCAPGU-INIZCTEOSA-N 0 3 306.406 3.684 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CCOCC2)CC1 ZINC000284695247 131104540 /nfs/dbraw/zinc/10/45/40/131104540.db2.gz HSDRHDLPMREPIH-OAHLLOKOSA-N 0 3 318.417 3.857 20 5 DHBDHN C[C@@H](NCc1ccc(C(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285225215 131149478 /nfs/dbraw/zinc/14/94/78/131149478.db2.gz OZZPYJVHNGMVEA-SNVBAGLBSA-N 0 3 321.327 3.965 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN(C)C1CCC(F)(F)CC1 ZINC000286957386 131257771 /nfs/dbraw/zinc/25/77/71/131257771.db2.gz MZRPWDPGQBCRDL-UHFFFAOYSA-N 0 3 314.332 3.613 20 5 DHBDHN CCOC(=O)CC(C)(C)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000287702260 131295664 /nfs/dbraw/zinc/29/56/64/131295664.db2.gz JGNAQWNAJIZUBJ-CYBMUJFWSA-N 0 3 322.405 3.615 20 5 DHBDHN COCc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119573797 132134536 /nfs/dbraw/zinc/13/45/36/132134536.db2.gz MJCVPZPUWDKVSZ-CYBMUJFWSA-N 0 3 300.358 3.592 20 5 DHBDHN CC[C@@H](C)[C@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142080271 332150167 /nfs/dbraw/zinc/15/01/67/332150167.db2.gz NSCICNJVHHVXMU-WOPDTQHZSA-N 0 3 318.377 3.730 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCc2cc(F)ccc21 ZINC000584302232 332230454 /nfs/dbraw/zinc/23/04/54/332230454.db2.gz XDKTZIBBLGFRHX-DLBZAZTESA-N 0 3 312.344 3.998 20 5 DHBDHN C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381035 332376309 /nfs/dbraw/zinc/37/63/09/332376309.db2.gz SLINLCBVHCFJAK-YPMHNXCESA-N 0 3 318.398 3.590 20 5 DHBDHN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000566750216 332557524 /nfs/dbraw/zinc/55/75/24/332557524.db2.gz NHOATKQPSJSHDM-CJNGLKHVSA-N 0 3 304.390 3.737 20 5 DHBDHN Cc1cnc(CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000570207532 332725800 /nfs/dbraw/zinc/72/58/00/332725800.db2.gz PQPXAIGDABEGSH-HNNXBMFYSA-N 0 3 313.401 3.808 20 5 DHBDHN CC(C)c1ccc(CNCCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518763443 333006961 /nfs/dbraw/zinc/00/69/61/333006961.db2.gz LJPDSAPKHZKGCG-HNNXBMFYSA-N 0 3 319.449 3.682 20 5 DHBDHN CO[C@](C)(CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815414 333118738 /nfs/dbraw/zinc/11/87/38/333118738.db2.gz CZMNCOMDTGMOTB-FUHWJXTLSA-N 0 3 318.417 3.722 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000582132215 333152542 /nfs/dbraw/zinc/15/25/42/333152542.db2.gz FBEUMJFXZXEQSH-JENIJYKNSA-N 0 3 324.380 3.702 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701768 333547811 /nfs/dbraw/zinc/54/78/11/333547811.db2.gz FZFFFINPUBHVLI-KSSFIOAISA-N 0 3 314.385 3.942 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000343359586 335159478 /nfs/dbraw/zinc/15/94/78/335159478.db2.gz LVKSKKIXKDRPHC-HNNXBMFYSA-N 0 3 303.362 3.683 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000414152806 333903886 /nfs/dbraw/zinc/90/38/86/333903886.db2.gz YHYYAGFISWJTIX-AEGPPILISA-N 0 3 322.405 3.600 20 5 DHBDHN CC[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000343604066 335176428 /nfs/dbraw/zinc/17/64/28/335176428.db2.gz IDFYHPGKIVEHHK-CYBMUJFWSA-N 0 3 318.377 3.559 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000438484195 334119469 /nfs/dbraw/zinc/11/94/69/334119469.db2.gz HMAWXJGDZOIGEZ-ZDUSSCGKSA-N 0 3 304.312 3.970 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222973 334171870 /nfs/dbraw/zinc/17/18/70/334171870.db2.gz IDODAXBMBMFBIS-PMUMKWKESA-N 0 3 314.385 3.676 20 5 DHBDHN Cc1nc(CCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531942522 334302391 /nfs/dbraw/zinc/30/23/91/334302391.db2.gz ZBYVSODYYMIZCJ-LLVKDONJSA-N 0 3 305.403 3.561 20 5 DHBDHN CC[C@@H]1C[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841852 334339352 /nfs/dbraw/zinc/33/93/52/334339352.db2.gz GAINNTTUHMWVAK-IUODEOHRSA-N 0 3 315.373 3.870 20 5 DHBDHN Cc1cncc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417312320 334705339 /nfs/dbraw/zinc/70/53/39/334705339.db2.gz RVXUVBOOVNKJME-GOSISDBHSA-N 0 3 311.385 3.856 20 5 DHBDHN CC[C@@H](NC[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925809 335202538 /nfs/dbraw/zinc/20/25/38/335202538.db2.gz IMSHNRCCNWAUMP-WMLDXEAASA-N 0 3 312.369 3.812 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339232 335242462 /nfs/dbraw/zinc/24/24/62/335242462.db2.gz WGTZJKLPPSBTQU-VBNZEHGJSA-N 0 3 304.390 3.593 20 5 DHBDHN CCO[C@H]1C[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244844 335629015 /nfs/dbraw/zinc/62/90/15/335629015.db2.gz NITMPUDKPHPKAQ-MAZHCROVSA-N 0 3 304.390 3.593 20 5 DHBDHN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000332107744 336159197 /nfs/dbraw/zinc/15/91/97/336159197.db2.gz FOVDPPXKGKMWES-GFCCVEGCSA-N 0 3 315.373 3.870 20 5 DHBDHN CC[C@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210066 336162871 /nfs/dbraw/zinc/16/28/71/336162871.db2.gz VMIOCNYWMFDBAP-AAEUAGOBSA-N 0 3 302.378 3.530 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@]2(CCCOC2)C1 ZINC000352546540 336223890 /nfs/dbraw/zinc/22/38/90/336223890.db2.gz WRBFQRBAVPKMGZ-MAUKXSAKSA-N 0 3 318.417 3.857 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCc1ccccc1O)CCC2 ZINC000192801519 336264558 /nfs/dbraw/zinc/26/45/58/336264558.db2.gz LAIPTEYBOZFTKX-QGZVFWFLSA-N 0 3 312.369 3.510 20 5 DHBDHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000301842162 336333641 /nfs/dbraw/zinc/33/36/41/336333641.db2.gz QBKOTKDIDHLHIL-SJORKVTESA-N 0 3 315.348 3.591 20 5 DHBDHN Cc1c([C@H](C)N[C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000361678236 336768352 /nfs/dbraw/zinc/76/83/52/336768352.db2.gz PHYUKAGANUGIEZ-YOEHRIQHSA-N 0 3 314.385 3.678 20 5 DHBDHN C[C@@H](NC[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000370167106 336879000 /nfs/dbraw/zinc/87/90/00/336879000.db2.gz JJUOIXFECBBWAG-ACJLOTCBSA-N 0 3 312.369 3.559 20 5 DHBDHN C[C@@H]1N(Cc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000375240401 337006490 /nfs/dbraw/zinc/00/64/90/337006490.db2.gz XDMVVTICNBDFMQ-LBPRGKRZSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@H](NCC1(c2ccccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000376124918 337027757 /nfs/dbraw/zinc/02/77/57/337027757.db2.gz ABIGMAADEKAUNL-AWEZNQCLSA-N 0 3 311.385 3.762 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2CCOC2)CC1 ZINC000376342291 337031756 /nfs/dbraw/zinc/03/17/56/337031756.db2.gz WYHBZVCZAFDJEV-HOCLYGCPSA-N 0 3 318.417 3.713 20 5 DHBDHN CSC1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000193658416 337078873 /nfs/dbraw/zinc/07/88/73/337078873.db2.gz CYYIPPKVBZCMPV-UHFFFAOYSA-N 0 3 318.398 3.840 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCNCc2ccccc21 ZINC000420292987 337498643 /nfs/dbraw/zinc/49/86/43/337498643.db2.gz MFHAGSAPKMGQLE-CQSZACIVSA-N 0 3 311.385 3.574 20 5 DHBDHN C[C@H](NCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536875355 337790625 /nfs/dbraw/zinc/79/06/25/337790625.db2.gz HSEZDUJWBLATSW-LBPRGKRZSA-N 0 3 320.776 3.978 20 5 DHBDHN C[C@@H]1C[C@@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883472 337874715 /nfs/dbraw/zinc/87/47/15/337874715.db2.gz XFDCSVSPKCCGLV-CHWSQXEVSA-N 0 3 315.373 3.728 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]4CCC[C@H]43)co2)cc1 ZINC000426473123 338033321 /nfs/dbraw/zinc/03/33/21/338033321.db2.gz QNAQDRQHPIIIJQ-MLGOLLRUSA-N 0 3 313.357 3.624 20 5 DHBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000432922570 338173297 /nfs/dbraw/zinc/17/32/97/338173297.db2.gz OFUIQFXUPVVUPI-MRXNPFEDSA-N 0 3 313.357 3.724 20 5 DHBDHN CO[C@@H]1CCCC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433076969 338180660 /nfs/dbraw/zinc/18/06/60/338180660.db2.gz PTRJZYDMYMPQKW-IXDOHACOSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)C[C@@H](NCCOC2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153747 338183289 /nfs/dbraw/zinc/18/32/89/338183289.db2.gz QRHVHMGXZATVEF-QGZVFWFLSA-N 0 3 318.417 3.866 20 5 DHBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000433215738 338186261 /nfs/dbraw/zinc/18/62/61/338186261.db2.gz RBXSMABSQUOCKV-VUCTXSBTSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)C[C@H](NCCc2cscn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281983 338189157 /nfs/dbraw/zinc/18/91/57/338189157.db2.gz LLDKGOHQMHMNMP-HNNXBMFYSA-N 0 3 317.414 3.606 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000435750964 338248015 /nfs/dbraw/zinc/24/80/15/338248015.db2.gz PCFBWSVACCTBCG-CTYIDZIISA-N 0 3 318.323 3.909 20 5 DHBDHN CC1=CCC[C@H](C)[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829937 338537210 /nfs/dbraw/zinc/53/72/10/338537210.db2.gz MXQVMPPLFHYSHK-JSGCOSHPSA-N 0 3 314.389 3.553 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCCC[C@@H]3C3CC3)nc2c1 ZINC000446849980 338538592 /nfs/dbraw/zinc/53/85/92/338538592.db2.gz SYFMUHLAGOPOJH-ZIAGYGMSSA-N 0 3 314.389 3.530 20 5 DHBDHN C[C@@H](CC(F)(F)F)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599335 338561212 /nfs/dbraw/zinc/56/12/12/338561212.db2.gz JNUUHRSRBSAZBG-ZANVPECISA-N 0 3 302.296 3.903 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cnc(C)cc1C ZINC000449735125 338649077 /nfs/dbraw/zinc/64/90/77/338649077.db2.gz PLBQYMGYCWRYBC-NTUHNPAUSA-N 0 3 311.385 3.800 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(C)c(C)n1 ZINC000459662562 339041392 /nfs/dbraw/zinc/04/13/92/339041392.db2.gz HAAJAPZPSJBJBC-UKTHLTGXSA-N 0 3 311.385 3.800 20 5 DHBDHN CO[C@@H]1C[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754241 339046493 /nfs/dbraw/zinc/04/64/93/339046493.db2.gz JGNSVSJYSVXIJI-UHOFOFEASA-N 0 3 304.390 3.511 20 5 DHBDHN COc1cc(CN2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000463482210 339119347 /nfs/dbraw/zinc/11/93/47/339119347.db2.gz AOGWGQSOLRMXLY-OAHLLOKOSA-N 0 3 322.380 3.897 20 5 DHBDHN COc1cc(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464499012 339143585 /nfs/dbraw/zinc/14/35/85/339143585.db2.gz LRNNUIQHHPLEFE-WHOFXGATSA-N 0 3 322.380 3.753 20 5 DHBDHN COc1cc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464678514 339148450 /nfs/dbraw/zinc/14/84/50/339148450.db2.gz PMWBRAYMBBPFNP-LALPHHSUSA-N 0 3 322.380 3.896 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccccc1F ZINC000468641585 339267761 /nfs/dbraw/zinc/26/77/61/339267761.db2.gz DZXFNKWYNZXSSP-LCYFTJDESA-N 0 3 300.333 3.927 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCc1ccccn1 ZINC000470202921 339314243 /nfs/dbraw/zinc/31/42/43/339314243.db2.gz NFLSQUPQGNRTCU-NTCAYCPXSA-N 0 3 311.385 3.568 20 5 DHBDHN Cc1ccc(CN[C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000479585812 339542419 /nfs/dbraw/zinc/54/24/19/339542419.db2.gz BBQBSUDFGQXGOW-DOTOQJQBSA-N 0 3 306.406 3.587 20 5 DHBDHN Cc1c(CNC/C=C/c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000480461475 339573802 /nfs/dbraw/zinc/57/38/02/339573802.db2.gz OJKWQWIBLQMKGR-HWKANZROSA-N 0 3 318.323 3.984 20 5 DHBDHN C[C@H](NC[C@H](C)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480626652 339580452 /nfs/dbraw/zinc/58/04/52/339580452.db2.gz QQGWJGGYXPYFBB-GJZGRUSLSA-N 0 3 313.401 3.770 20 5 DHBDHN CC[C@@H]1CCCC[C@@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481179542 339597452 /nfs/dbraw/zinc/59/74/52/339597452.db2.gz YZKCFRBKWJKBOB-RISCZKNCSA-N 0 3 310.369 3.801 20 5 DHBDHN Cc1cccc(OCCCNCc2csc([N+](=O)[O-])c2)c1C ZINC000486809843 339735289 /nfs/dbraw/zinc/73/52/89/339735289.db2.gz HNOHVTGRQXBFPC-UHFFFAOYSA-N 0 3 320.414 3.832 20 5 DHBDHN CC(C)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538751 339786819 /nfs/dbraw/zinc/78/68/19/339786819.db2.gz DAYFYAQCVGPAGV-BXUZGUMPSA-N 0 3 314.838 3.868 20 5 DHBDHN CC[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000494808363 339960904 /nfs/dbraw/zinc/96/09/04/339960904.db2.gz JYHKOFLRGRHMSI-AWEZNQCLSA-N 0 3 312.797 3.543 20 5 DHBDHN CC[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503855574 340135299 /nfs/dbraw/zinc/13/52/99/340135299.db2.gz LLGCVWAGOXXVMT-MGPQQGTHSA-N 0 3 314.332 3.796 20 5 DHBDHN COCC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000509946326 340283543 /nfs/dbraw/zinc/28/35/43/340283543.db2.gz WPUZCOTWYKRVNR-AWEZNQCLSA-N 0 3 314.813 3.789 20 5 DHBDHN CCC[C@@H](N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039099 340319056 /nfs/dbraw/zinc/31/90/56/340319056.db2.gz ZBLVYBJYJSVPAT-SJLPKXTDSA-N 0 3 320.433 3.967 20 5 DHBDHN C[C@@H]1CSC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859763 340381182 /nfs/dbraw/zinc/38/11/82/340381182.db2.gz DXIZRUCLVDWHME-IAQYHMDHSA-N 0 3 318.398 3.696 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056692 340391325 /nfs/dbraw/zinc/39/13/25/340391325.db2.gz KHGXSHLCMIQQMA-XHDPSFHLSA-N 0 3 316.357 3.752 20 5 DHBDHN CO[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000524773090 340679984 /nfs/dbraw/zinc/67/99/84/340679984.db2.gz UPHYJEBXJWYDTF-QGZVFWFLSA-N 0 3 318.373 3.615 20 5 DHBDHN CCC[C@@H](NCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000316362632 340681607 /nfs/dbraw/zinc/68/16/07/340681607.db2.gz TUCOSLXHRKWGQF-QGZVFWFLSA-N 0 3 306.406 3.985 20 5 DHBDHN O=[N+]([O-])c1cccc(CCN[C@H]2CCc3c2c(F)ccc3F)c1 ZINC000537953569 340793058 /nfs/dbraw/zinc/79/30/58/340793058.db2.gz YRCXNPDRUCXAKX-INIZCTEOSA-N 0 3 318.323 3.693 20 5 DHBDHN Cc1ccccc1OCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539094146 340872983 /nfs/dbraw/zinc/87/29/83/340872983.db2.gz UGPAIOLVYMVZQN-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000540429081 340930936 /nfs/dbraw/zinc/93/09/36/340930936.db2.gz WALJYUVQRNHVIE-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN CC(C)(NCCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000542574374 341014129 /nfs/dbraw/zinc/01/41/29/341014129.db2.gz OWRBUCNEQJEBLU-UHFFFAOYSA-N 0 3 306.387 3.560 20 5 DHBDHN CCC(CC)N(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000545918703 341146116 /nfs/dbraw/zinc/14/61/16/341146116.db2.gz MTLDFKAZXWZYFG-UHFFFAOYSA-N 0 3 310.369 3.896 20 5 DHBDHN CN(CCCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000546691957 341179085 /nfs/dbraw/zinc/17/90/85/341179085.db2.gz HLKOEXWLJJJGPH-UHFFFAOYSA-N 0 3 314.385 3.634 20 5 DHBDHN COCCC(C)(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000546763549 341181851 /nfs/dbraw/zinc/18/18/51/341181851.db2.gz SBHJNUZZZPLGBZ-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245516662 341298746 /nfs/dbraw/zinc/29/87/46/341298746.db2.gz FZQDLUUTFKHVGV-MPGHIAIKSA-N 0 3 318.417 3.591 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](c3ccccc3F)C2)cc1 ZINC000550211409 341312509 /nfs/dbraw/zinc/31/25/09/341312509.db2.gz INCOZMQOVLVTEG-HNNXBMFYSA-N 0 3 314.360 3.766 20 5 DHBDHN C[C@@H]1CCC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000162993885 341410150 /nfs/dbraw/zinc/41/01/50/341410150.db2.gz TXXASSPJDMPGFY-WZRBSPASSA-N 0 3 303.362 3.650 20 5 DHBDHN CCOC1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000576172628 341831322 /nfs/dbraw/zinc/83/13/22/341831322.db2.gz RXZHUEJUPPZEBF-OAHLLOKOSA-N 0 3 304.390 3.521 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[C@@H](F)C2)c1 ZINC000577869641 341945310 /nfs/dbraw/zinc/94/53/10/341945310.db2.gz VHSNSTBYRKANMP-MNOVXSKESA-N 0 3 318.295 3.567 20 5 DHBDHN CCOC[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245530238 520171991 /nfs/dbraw/zinc/17/19/91/520171991.db2.gz SHLXBTAPFVQNBG-CABCVRRESA-N 0 3 306.406 3.713 20 5 DHBDHN CCc1nc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000157086518 522285815 /nfs/dbraw/zinc/28/58/15/522285815.db2.gz ZWAHALDYGSXEPM-GFCCVEGCSA-N 0 3 319.430 3.815 20 5 DHBDHN COC(C)(C)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000237138185 522514343 /nfs/dbraw/zinc/51/43/43/522514343.db2.gz HEKBOKXHEJHSNY-JTQLQIEISA-N 0 3 300.786 3.541 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847915 523539583 /nfs/dbraw/zinc/53/95/83/523539583.db2.gz IEOPLARJPNGEDF-GUYCJALGSA-N 0 3 300.358 3.633 20 5 DHBDHN Cc1nc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000127745065 526828120 /nfs/dbraw/zinc/82/81/20/526828120.db2.gz CJRBVFYOSGCONM-GFCCVEGCSA-N 0 3 319.430 3.870 20 5 DHBDHN Cc1nc2c(s1)CCC[C@@H]2CNCc1cccc([N+](=O)[O-])c1 ZINC000366396377 527103605 /nfs/dbraw/zinc/10/36/05/527103605.db2.gz CCAJPCWRSXLZHC-CYBMUJFWSA-N 0 3 317.414 3.569 20 5 DHBDHN CC[C@H](NCC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000298917709 535905272 /nfs/dbraw/zinc/90/52/72/535905272.db2.gz NISHEXQAAGZCMN-ROUUACIJSA-N 0 3 314.385 3.759 20 5 DHBDHN CC(C)(CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000894673193 1013449247 /nfs/dbraw/zinc/44/92/47/1013449247.db2.gz LOTVSHQHUCQUNK-UHFFFAOYSA-N 0 3 319.792 3.711 20 5 DHBDHN C[C@H]1c2ccc(F)cc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000610003972 1013843522 /nfs/dbraw/zinc/84/35/22/1013843522.db2.gz UZCQUBGDQMGCAO-ZDUSSCGKSA-N 0 3 314.360 3.896 20 5 DHBDHN COc1ccc([C@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025942604 1014465986 /nfs/dbraw/zinc/46/59/86/1014465986.db2.gz NOOFFUZQHJEROU-ZDUSSCGKSA-N 0 3 300.358 3.796 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2ccsc2)cc1 ZINC000521477612 1014708145 /nfs/dbraw/zinc/70/81/45/1014708145.db2.gz QMGAZWGUDADLTN-INIZCTEOSA-N 0 3 318.398 3.872 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)N2CCCC2)s1 ZINC000610514236 1015057440 /nfs/dbraw/zinc/05/74/40/1015057440.db2.gz ZXPLIZIWVWRDDD-NSHDSACASA-N 0 3 323.443 3.967 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCCC(=O)OC(C)(C)C ZINC000076416452 1015150502 /nfs/dbraw/zinc/15/05/02/1015150502.db2.gz XIRVZHIVXIVFJR-ZDUSSCGKSA-N 0 3 322.405 3.710 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cccnc1Cl ZINC000090910004 1015300439 /nfs/dbraw/zinc/30/04/39/1015300439.db2.gz NPOFOXAJECBQBS-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN CC(C)N1CC[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227125998 1015501758 /nfs/dbraw/zinc/50/17/58/1015501758.db2.gz OACUBOPXWVGMKE-SECBINFHSA-N 0 3 319.188 3.763 20 5 DHBDHN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000896511666 1015605496 /nfs/dbraw/zinc/60/54/96/1015605496.db2.gz IXEQWHQDKCWHDE-CYBMUJFWSA-N 0 3 300.358 3.768 20 5 DHBDHN Cc1ccc([C@H](C)NCc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000119867662 1016396946 /nfs/dbraw/zinc/39/69/46/1016396946.db2.gz FMWJIOFPAJZQTD-AWEZNQCLSA-N 0 3 313.401 3.820 20 5 DHBDHN CC[C@@H](NCc1ccc([C@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552892 1016496114 /nfs/dbraw/zinc/49/61/14/1016496114.db2.gz PLCNNOUKTZQECX-SCLBCKFNSA-N 0 3 314.385 3.889 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC2(CC2(F)F)CC1 ZINC000877612742 1033383002 /nfs/dbraw/zinc/38/30/02/1033383002.db2.gz NHXVJJWETXYZCR-UHFFFAOYSA-N 0 3 310.344 3.833 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOC[C@H](C2CCC2)C1 ZINC000515184686 1012570088 /nfs/dbraw/zinc/57/00/88/1012570088.db2.gz IJPCXCGUVFJWTL-GOEBONIOSA-N 0 3 318.417 3.713 20 5 DHBDHN CC[C@H]1CCCC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686853 1017614636 /nfs/dbraw/zinc/61/46/36/1017614636.db2.gz UHSZBRBWSILBPI-LRDDRELGSA-N 0 3 316.405 3.872 20 5 DHBDHN C[C@@H](NCC1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000171051356 1017843647 /nfs/dbraw/zinc/84/36/47/1017843647.db2.gz IAYGPPJKWWVFAY-CYBMUJFWSA-N 0 3 310.353 3.721 20 5 DHBDHN CC(C)CC[C@](C)(O)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077456178 1018503901 /nfs/dbraw/zinc/50/39/01/1018503901.db2.gz GMKBTEKLUASFJW-HNNXBMFYSA-N 0 3 314.813 3.525 20 5 DHBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCOc2ccccc21 ZINC000611254773 1019422313 /nfs/dbraw/zinc/42/23/13/1019422313.db2.gz SBVWNGKVXOKNFK-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN CCN(CC)[C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000611412448 1019477178 /nfs/dbraw/zinc/47/71/78/1019477178.db2.gz PUYGWERSSZCUAU-GFCCVEGCSA-N 0 3 309.391 3.744 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCCc2c(O)cccc21 ZINC000480481369 1019712633 /nfs/dbraw/zinc/71/26/33/1019712633.db2.gz ZHEDPFJNMFEJAR-XTKXOIQPSA-N 0 3 324.380 3.981 20 5 DHBDHN COc1ccc(CN[C@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000316841244 1019943711 /nfs/dbraw/zinc/94/37/11/1019943711.db2.gz AXSLQFBKRIMRSJ-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CN(CC[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765353 1020065205 /nfs/dbraw/zinc/06/52/05/1020065205.db2.gz INLOPDDTBCQJNY-KBPBESRZSA-N 0 3 316.323 3.550 20 5 DHBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCS1 ZINC000155638553 1020254466 /nfs/dbraw/zinc/25/44/66/1020254466.db2.gz INHCNQWTGCNYDB-ZDUSSCGKSA-N 0 3 300.811 3.624 20 5 DHBDHN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CC1 ZINC000733326212 1020375100 /nfs/dbraw/zinc/37/51/00/1020375100.db2.gz OVYSLQIDTWISLJ-LLVKDONJSA-N 0 3 317.414 3.997 20 5 DHBDHN O=[N+]([O-])c1ccc(CCNC2(c3ccccc3F)CC2)cc1 ZINC000179656274 1020426035 /nfs/dbraw/zinc/42/60/35/1020426035.db2.gz KCYBDABIRWDWEI-UHFFFAOYSA-N 0 3 300.333 3.555 20 5 DHBDHN C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000766212604 1020688187 /nfs/dbraw/zinc/68/81/87/1020688187.db2.gz RZWRRIVXDVREQP-GFCCVEGCSA-N 0 3 318.348 3.503 20 5 DHBDHN C[C@H]1CCCCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738227102 1020864145 /nfs/dbraw/zinc/86/41/45/1020864145.db2.gz RGTUWVFOXZIQOD-AWEZNQCLSA-N 0 3 314.389 3.680 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380362 1020884636 /nfs/dbraw/zinc/88/46/36/1020884636.db2.gz RJOXTDGARLKCOB-PIGZYNQJSA-N 0 3 322.368 3.809 20 5 DHBDHN CCC[C@H]1[C@H](C)CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380243 1021286805 /nfs/dbraw/zinc/28/68/05/1021286805.db2.gz XLGOCNYUECXYQB-CJNGLKHVSA-N 0 3 316.405 3.803 20 5 DHBDHN CC[C@H](COCC1CC1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850350140 1021481314 /nfs/dbraw/zinc/48/13/14/1021481314.db2.gz OMASHQFDDXMWPT-CQSZACIVSA-N 0 3 312.797 3.543 20 5 DHBDHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000618679585 1021484640 /nfs/dbraw/zinc/48/46/40/1021484640.db2.gz VOFOSCJTMOMLFG-SWLSCSKDSA-N 0 3 303.387 3.514 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850376321 1021497253 /nfs/dbraw/zinc/49/72/53/1021497253.db2.gz XLQHTVYCHMRRCG-OBIQQPLYSA-N 0 3 324.380 3.766 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CCC1(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851107903 1021739217 /nfs/dbraw/zinc/73/92/17/1021739217.db2.gz FCNYUTRFLTUAPE-OSMZGAPFSA-N 0 3 309.337 3.511 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CCCCO2)C1 ZINC000365705312 1021884993 /nfs/dbraw/zinc/88/49/93/1021884993.db2.gz PMIGIWMMBSICOL-YOEHRIQHSA-N 0 3 304.390 3.691 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001169038486 1022222868 /nfs/dbraw/zinc/22/28/68/1022222868.db2.gz ZDQDLMOLRKYMBW-FFSVYQOJSA-N 0 3 310.344 3.547 20 5 DHBDHN C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc21 ZINC001169381818 1022381859 /nfs/dbraw/zinc/38/18/59/1022381859.db2.gz TXRBYKZHCVRUJU-MEDUHNTESA-N 0 3 309.369 3.858 20 5 DHBDHN CCOc1cc(CN2C3CCCC2CCC3)ccc1[N+](=O)[O-] ZINC000617201578 1022888567 /nfs/dbraw/zinc/88/85/67/1022888567.db2.gz BKUBUUIILNPQQA-UHFFFAOYSA-N 0 3 304.390 3.901 20 5 DHBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000769034451 1023073022 /nfs/dbraw/zinc/07/30/22/1023073022.db2.gz QEEBJMRXELRZEL-VQHVLOKHSA-N 0 3 311.385 3.568 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1ccns1 ZINC000883247050 1024314791 /nfs/dbraw/zinc/31/47/91/1024314791.db2.gz YDWBVMZVADSVGH-SNVBAGLBSA-N 0 3 323.443 3.667 20 5 DHBDHN C[C@@H]1CC[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628420 1024561842 /nfs/dbraw/zinc/56/18/42/1024561842.db2.gz JIOGYNPGWKRWFA-OLZOCXBDSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CCOCC2)CC1 ZINC000585767972 1024604763 /nfs/dbraw/zinc/60/47/63/1024604763.db2.gz NBKZAUVBPCTOJY-HYXAFXHYSA-N 0 3 316.401 3.501 20 5 DHBDHN C[C@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114503 1025513639 /nfs/dbraw/zinc/51/36/39/1025513639.db2.gz QOPHNTYNKTYORG-KBPBESRZSA-N 0 3 304.390 3.595 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000886247574 1025570767 /nfs/dbraw/zinc/57/07/67/1025570767.db2.gz VFERHJQNJJICRG-QGZVFWFLSA-N 0 3 323.396 3.760 20 5 DHBDHN C[C@@H](N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1(C)CC1 ZINC000355086914 1025601095 /nfs/dbraw/zinc/60/10/95/1025601095.db2.gz LYHLSFSZPMDZLS-SNVBAGLBSA-N 0 3 314.332 3.817 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000355484819 1025741198 /nfs/dbraw/zinc/74/11/98/1025741198.db2.gz KNBARZUAOYQCOP-QGZVFWFLSA-N 0 3 300.333 3.901 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355580166 1025772999 /nfs/dbraw/zinc/77/29/99/1025772999.db2.gz HQLPJHVCVHYOLY-ZDUSSCGKSA-N 0 3 322.405 3.623 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355580165 1025773690 /nfs/dbraw/zinc/77/36/90/1025773690.db2.gz HQLPJHVCVHYOLY-CYBMUJFWSA-N 0 3 322.405 3.623 20 5 DHBDHN C[C@@H]1c2ccsc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052070780 1026199107 /nfs/dbraw/zinc/19/91/07/1026199107.db2.gz MXLVXTOKUOYIHE-GFCCVEGCSA-N 0 3 302.399 3.818 20 5 DHBDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419367602 1026273116 /nfs/dbraw/zinc/27/31/16/1026273116.db2.gz DHIBKNAFUPOZDT-FRRDWIJNSA-N 0 3 315.373 3.726 20 5 DHBDHN C[C@H]1CSC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017403 1026664690 /nfs/dbraw/zinc/66/46/90/1026664690.db2.gz XAVVRTNYIUJUMK-CPCISQLKSA-N 0 3 321.229 3.743 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cs1 ZINC000280549828 1026666998 /nfs/dbraw/zinc/66/69/98/1026666998.db2.gz DRJNBCPQMVIHPS-MQMHXKEQSA-N 0 3 306.362 3.831 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420953594 1026892049 /nfs/dbraw/zinc/89/20/49/1026892049.db2.gz TUHYWLCMWXERSN-CYBMUJFWSA-N 0 3 316.323 3.802 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000571997564 1027165201 /nfs/dbraw/zinc/16/52/01/1027165201.db2.gz UCEPVIXBMAEPDA-DOMZBBRYSA-N 0 3 324.808 3.639 20 5 DHBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848634 1027446127 /nfs/dbraw/zinc/44/61/27/1027446127.db2.gz LKJXPVPUZPHMHW-KBXCAEBGSA-N 0 3 314.385 3.539 20 5 DHBDHN CC(COC(=O)C1(Cc2cccc(F)c2)CCCCC1)[N+](=O)[O-] ZINC000813099826 1027518400 /nfs/dbraw/zinc/51/84/00/1027518400.db2.gz DVJPCRDCVNWIOU-CYBMUJFWSA-N 0 3 323.364 3.527 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Cc2nccs2)C1 ZINC000934333890 1027967716 /nfs/dbraw/zinc/96/77/16/1027967716.db2.gz RIAQWTCLRDNOGV-STQMWFEESA-N 0 3 317.414 3.677 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCCC34CCC4)co2)cc1 ZINC000365631720 1027985979 /nfs/dbraw/zinc/98/59/79/1027985979.db2.gz AIZFMHUNMVCNLX-UHFFFAOYSA-N 0 3 313.357 3.768 20 5 DHBDHN CCCc1nc(C)c(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449338220 1028574262 /nfs/dbraw/zinc/57/42/62/1028574262.db2.gz FWLSFHQKAYRDCY-LBPRGKRZSA-N 0 3 317.389 3.565 20 5 DHBDHN CC1(C)OCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449416218 1028615313 /nfs/dbraw/zinc/61/53/13/1028615313.db2.gz SCZIMVSFCFCLPU-MRXNPFEDSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000449495942 1028705809 /nfs/dbraw/zinc/70/58/09/1028705809.db2.gz FNNYXNGERZJVSQ-INIZCTEOSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000449495944 1028707131 /nfs/dbraw/zinc/70/71/31/1028707131.db2.gz FNNYXNGERZJVSQ-MRXNPFEDSA-N 0 3 311.385 3.678 20 5 DHBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646674 1028971573 /nfs/dbraw/zinc/97/15/73/1028971573.db2.gz HMJTWMZIHJDPJW-NEPJUHHUSA-N 0 3 316.357 3.704 20 5 DHBDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540883 1030363071 /nfs/dbraw/zinc/36/30/71/1030363071.db2.gz SKMIWUDIBXLCAO-KRWDZBQOSA-N 0 3 312.369 3.689 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1nccs1 ZINC000872027693 1031412574 /nfs/dbraw/zinc/41/25/74/1031412574.db2.gz GCVPXEJFPHVMKL-JTQLQIEISA-N 0 3 323.443 3.667 20 5 DHBDHN COCC(C)(C)CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071527 1031466825 /nfs/dbraw/zinc/46/68/25/1031466825.db2.gz QQXGAWHBFKUPGW-LBPRGKRZSA-N 0 3 312.385 3.837 20 5 DHBDHN COCC(C)(C)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071526 1031468073 /nfs/dbraw/zinc/46/80/73/1031468073.db2.gz QQXGAWHBFKUPGW-GFCCVEGCSA-N 0 3 312.385 3.837 20 5 DHBDHN C[C@H](NCCCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073095 1031470095 /nfs/dbraw/zinc/47/00/95/1031470095.db2.gz MIJBJQJOQFJJIM-LBPRGKRZSA-N 0 3 310.369 3.591 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCOC1(C)C ZINC000872076127 1031471004 /nfs/dbraw/zinc/47/10/04/1031471004.db2.gz XZNSHYNXLZKEDW-YGRLFVJLSA-N 0 3 310.419 3.535 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[C@@H](C)O1 ZINC000872077319 1031474367 /nfs/dbraw/zinc/47/43/67/1031474367.db2.gz FUIOLLGDKGEGRH-MDZLAQPJSA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@@H](NC[C@@H](C)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872079978 1031476772 /nfs/dbraw/zinc/47/67/72/1031476772.db2.gz RBWQUDXIWQGRCI-DTWKUNHWSA-N 0 3 308.275 3.973 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1COC2(CCC2)C1 ZINC000872083812 1031478708 /nfs/dbraw/zinc/47/87/08/1031478708.db2.gz ALCNRQDXXCHZQV-NWDGAFQWSA-N 0 3 322.430 3.679 20 5 DHBDHN C[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872086377 1031483352 /nfs/dbraw/zinc/48/33/52/1031483352.db2.gz WEKUHOGWEPXYHU-VXGBXAGGSA-N 0 3 303.337 3.583 20 5 DHBDHN C[C@@H](NCCC1SCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088504 1031484996 /nfs/dbraw/zinc/48/49/96/1031484996.db2.gz PIYKNJGUNFGQPK-SECBINFHSA-N 0 3 316.423 3.581 20 5 DHBDHN C[C@H](NC[C@@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091169 1031487710 /nfs/dbraw/zinc/48/77/10/1031487710.db2.gz GATNDSUQMPMFDP-STQMWFEESA-N 0 3 322.380 3.591 20 5 DHBDHN CO[C@H](CNCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000537310393 1031567871 /nfs/dbraw/zinc/56/78/71/1031567871.db2.gz DLPGFDAXFVBKMR-MRXNPFEDSA-N 0 3 320.776 3.726 20 5 DHBDHN COCc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873009157 1031690816 /nfs/dbraw/zinc/69/08/16/1031690816.db2.gz USLLWTLVZDKEHS-UHFFFAOYSA-N 0 3 314.385 3.648 20 5 DHBDHN Cc1ccsc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872878 1031748623 /nfs/dbraw/zinc/74/86/23/1031748623.db2.gz QABCZDQBSMUVLU-GXFFZTMASA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1CC12CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876044 1031749007 /nfs/dbraw/zinc/74/90/07/1031749007.db2.gz MQHPNNOKOHNXLJ-ZLDLUXBVSA-N 0 3 321.348 3.656 20 5 DHBDHN CCC[C@H](NCc1cc(N)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000873287550 1031787066 /nfs/dbraw/zinc/78/70/66/1031787066.db2.gz GBWXIERNZUBPJU-KRWDZBQOSA-N 0 3 317.364 3.947 20 5 DHBDHN CC[C@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777954174 1032028054 /nfs/dbraw/zinc/02/80/54/1032028054.db2.gz CYZSGLFXTCWFBE-AWEZNQCLSA-N 0 3 314.389 3.538 20 5 DHBDHN Cc1c([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066090 1033493256 /nfs/dbraw/zinc/49/32/56/1033493256.db2.gz KRWVNEDXBQQPOE-SUMWQHHRSA-N 0 3 316.405 3.685 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2[C@H](C)CCC[C@H]2C)c1F ZINC001173181063 1033580147 /nfs/dbraw/zinc/58/01/47/1033580147.db2.gz BGMKATIQIJKQHN-UPJWGTAASA-N 0 3 324.396 3.936 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](C)CC2)c1F ZINC001173182803 1033583370 /nfs/dbraw/zinc/58/33/70/1033583370.db2.gz UHSVQBQCRJNRLR-STQMWFEESA-N 0 3 324.396 3.796 20 5 DHBDHN CC[C@H]1CCCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197567 1033588966 /nfs/dbraw/zinc/58/89/66/1033588966.db2.gz UNLUWAYDNLZKMY-STQMWFEESA-N 0 3 324.396 3.796 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)CC1 ZINC001173223241 1033603742 /nfs/dbraw/zinc/60/37/42/1033603742.db2.gz ZBKAGXQXKKSXHF-NSHDSACASA-N 0 3 316.323 3.800 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(Cl)nc1 ZINC001173232468 1033609544 /nfs/dbraw/zinc/60/95/44/1033609544.db2.gz GXJHIMXWLGPXRX-LBPRGKRZSA-N 0 3 319.792 3.706 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(F)cc1F ZINC001173213235 1033613354 /nfs/dbraw/zinc/61/33/54/1033613354.db2.gz HCPXENMUKDHXPG-SNVBAGLBSA-N 0 3 324.302 3.733 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000878647879 1033782186 /nfs/dbraw/zinc/78/21/86/1033782186.db2.gz JVSAIZWHXUXVSQ-INIZCTEOSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548820 1034247030 /nfs/dbraw/zinc/24/70/30/1034247030.db2.gz PRMKSULJMQGTOU-KGLIPLIRSA-N 0 3 314.385 3.807 20 5 DHBDHN O=[N+]([O-])c1cccc(CCNCc2c(F)cccc2Cl)c1 ZINC001178387408 1035424983 /nfs/dbraw/zinc/42/49/83/1035424983.db2.gz ZFYDKZCMHULHKI-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN Cc1ccc(CNC/C=C\c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001179385562 1035476582 /nfs/dbraw/zinc/47/65/82/1035476582.db2.gz BIFIMXOXMPXWSO-IHWYPQMZSA-N 0 3 318.323 3.984 20 5 DHBDHN COCc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569000254 1035687203 /nfs/dbraw/zinc/68/72/03/1035687203.db2.gz DZEVPKLUYCTJDH-QGZVFWFLSA-N 0 3 312.369 3.518 20 5 DHBDHN CCCCO[C@H]1C[C@H](NCc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194191000 1035867582 /nfs/dbraw/zinc/86/75/82/1035867582.db2.gz MXWIPGOONZEGEQ-HOTGVXAUSA-N 0 3 324.396 3.807 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000539829624 1035887236 /nfs/dbraw/zinc/88/72/36/1035887236.db2.gz PUWYCCHLTAAPSH-AEFFLSMTSA-N 0 3 308.381 3.757 20 5 DHBDHN CN(C/C=C/c1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC001181697939 1035975911 /nfs/dbraw/zinc/97/59/11/1035975911.db2.gz PKUGHBKKISDCDV-FNORWQNLSA-N 0 3 314.360 3.922 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000152936203 1036116725 /nfs/dbraw/zinc/11/67/25/1036116725.db2.gz MOHUERKCJAGWAW-MRXNPFEDSA-N 0 3 304.390 3.518 20 5 DHBDHN COc1cc(CN[C@@H](c2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000541582369 1036367272 /nfs/dbraw/zinc/36/72/72/1036367272.db2.gz VHOPDIZFTAJHMX-MRXNPFEDSA-N 0 3 318.398 3.906 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C2CCC2)C1 ZINC001196254880 1036482029 /nfs/dbraw/zinc/48/20/29/1036482029.db2.gz PIYQUJVLVDQSDD-AWEZNQCLSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H](OC(C)C)C1 ZINC001206545494 1036483716 /nfs/dbraw/zinc/48/37/16/1036483716.db2.gz WKPSEMKPLAVHAM-OAHLLOKOSA-N 0 3 306.406 3.601 20 5 DHBDHN CC(C)[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538757 1037065413 /nfs/dbraw/zinc/06/54/13/1037065413.db2.gz DAYFYAQCVGPAGV-FZMZJTMJSA-N 0 3 314.838 3.868 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000774854539 1037104890 /nfs/dbraw/zinc/10/48/90/1037104890.db2.gz WQKZNRWRWWJOFW-HNNXBMFYSA-N 0 3 319.361 3.658 20 5 DHBDHN CC[C@@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905225 1037196401 /nfs/dbraw/zinc/19/64/01/1037196401.db2.gz LPSJDPJUFFGTQN-CYBMUJFWSA-N 0 3 307.350 3.658 20 5 DHBDHN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000489066300 1037258186 /nfs/dbraw/zinc/25/81/86/1037258186.db2.gz CDPOQMHQZWEIIL-ZDUSSCGKSA-N 0 3 302.349 3.797 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCOc2cccc(F)c2)cc1Cl ZINC000761524151 1037342636 /nfs/dbraw/zinc/34/26/36/1037342636.db2.gz WFUCMYAGPBJXIA-UHFFFAOYSA-N 0 3 324.739 3.556 20 5 DHBDHN COC(C)(C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493245661 1037386580 /nfs/dbraw/zinc/38/65/80/1037386580.db2.gz DZHXJGGYTXNQAU-QGZVFWFLSA-N 0 3 314.385 3.699 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000590601795 1038674335 /nfs/dbraw/zinc/67/43/35/1038674335.db2.gz QMHUTOLJWFFCFN-HUUCEWRRSA-N 0 3 311.385 3.930 20 5 DHBDHN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000603844718 1039181698 /nfs/dbraw/zinc/18/16/98/1039181698.db2.gz QJYDAHYCVKRQNF-UHFFFAOYSA-N 0 3 320.776 3.759 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)s1 ZINC000604408763 1039456093 /nfs/dbraw/zinc/45/60/93/1039456093.db2.gz JWWZNDGJYDZUED-AWEZNQCLSA-N 0 3 317.414 3.905 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCCCC1 ZINC000059023337 1039714897 /nfs/dbraw/zinc/71/48/97/1039714897.db2.gz MQDYWRXRBCFCQQ-UHFFFAOYSA-N 0 3 317.311 3.511 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccsc1 ZINC000595003476 1040014885 /nfs/dbraw/zinc/01/48/85/1040014885.db2.gz HFHUVEMYPSIXOF-LLVKDONJSA-N 0 3 306.387 3.558 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000595046172 1040046897 /nfs/dbraw/zinc/04/68/97/1040046897.db2.gz JDMXLCMTCNDEGN-OBJOEFQTSA-N 0 3 322.405 3.600 20 5 DHBDHN COc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000595108151 1040070769 /nfs/dbraw/zinc/07/07/69/1040070769.db2.gz YUCFADWVTZTSOB-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1noc(CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595507085 1040155906 /nfs/dbraw/zinc/15/59/06/1040155906.db2.gz JVWOEXZJMKVCGG-KYOSRNDESA-N 0 3 315.373 3.658 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595787537 1040255174 /nfs/dbraw/zinc/25/51/74/1040255174.db2.gz JRLNHUMXEHCXGW-KDOFPFPSSA-N 0 3 318.417 3.937 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C2CC2)C1 ZINC000491206188 1040637228 /nfs/dbraw/zinc/63/72/28/1040637228.db2.gz CVQJHEMCCKFEPH-CQSZACIVSA-N 0 3 304.390 3.614 20 5 DHBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000323925793 1040650047 /nfs/dbraw/zinc/65/00/47/1040650047.db2.gz WLXISKWMUONEJH-LLVKDONJSA-N 0 3 313.195 3.636 20 5 DHBDHN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC1(F)F ZINC000602639414 1041139860 /nfs/dbraw/zinc/13/98/60/1041139860.db2.gz IMVPLNKRTGXYEO-HQJQHLMTSA-N 0 3 324.249 3.747 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000602857965 1041267076 /nfs/dbraw/zinc/26/70/76/1041267076.db2.gz ZNAXGOMQBLNQQG-RHSMWYFYSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728399 185311641 /nfs/dbraw/zinc/31/16/41/185311641.db2.gz KJGHTGSQDPRQCX-CMPLNLGQSA-N 0 3 317.389 3.962 20 5 DHBDHN CC[C@H](COCC(F)(F)F)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155564 132002076 /nfs/dbraw/zinc/00/20/76/132002076.db2.gz COCLMRTUZDDDQO-CMPLNLGQSA-N 0 3 320.311 3.603 20 5 DHBDHN Cc1ccc([C@H](C)NCC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988843 132085102 /nfs/dbraw/zinc/08/51/02/132085102.db2.gz PUQZEQOERXSJKF-KBXCAEBGSA-N 0 3 314.385 3.678 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@@H]2CC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000558257275 331889869 /nfs/dbraw/zinc/88/98/69/331889869.db2.gz YARGJOULRRTPFA-ZIAGYGMSSA-N 0 3 314.307 3.892 20 5 DHBDHN CC1(F)CC(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449369315 332082663 /nfs/dbraw/zinc/08/26/63/332082663.db2.gz BVJJIGRVQXCIOV-UHFFFAOYSA-N 0 3 304.321 3.835 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@@H]1C ZINC000408201455 332241142 /nfs/dbraw/zinc/24/11/42/332241142.db2.gz FMSRIMIXJGXCSK-KBPBESRZSA-N 0 3 304.390 3.547 20 5 DHBDHN CCC(CC)[C@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302138017 332982359 /nfs/dbraw/zinc/98/23/59/332982359.db2.gz DPIFAJLATKKAMG-QGZVFWFLSA-N 0 3 317.389 3.660 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353901 333019777 /nfs/dbraw/zinc/01/97/77/333019777.db2.gz JKIRIOIMSGKBJL-SJORKVTESA-N 0 3 318.417 3.731 20 5 DHBDHN C[C@H](CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183989442 333190788 /nfs/dbraw/zinc/19/07/88/333190788.db2.gz BDWOMHGPKLWEFU-NEPJUHHUSA-N 0 3 305.403 3.848 20 5 DHBDHN CCC[C@H](N[C@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327769 333267372 /nfs/dbraw/zinc/26/73/72/333267372.db2.gz CQTATNDIIIUTJT-DQYPLSBCSA-N 0 3 306.406 3.839 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725692 333377318 /nfs/dbraw/zinc/37/73/18/333377318.db2.gz YECWQUBMYQAEJV-NEPJUHHUSA-N 0 3 305.403 3.814 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725722 333377393 /nfs/dbraw/zinc/37/73/93/333377393.db2.gz YECWQUBMYQAEJV-RYUDHWBXSA-N 0 3 305.403 3.814 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725704 333377482 /nfs/dbraw/zinc/37/74/82/333377482.db2.gz YECWQUBMYQAEJV-NWDGAFQWSA-N 0 3 305.403 3.814 20 5 DHBDHN Cc1ccc([C@H](C)NCC(C)(C)OCC2CC2)cc1[N+](=O)[O-] ZINC000414241487 333918744 /nfs/dbraw/zinc/91/87/44/333918744.db2.gz LLZWGJURJHXQJO-ZDUSSCGKSA-N 0 3 306.406 3.759 20 5 DHBDHN C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1 ZINC000414496001 333997483 /nfs/dbraw/zinc/99/74/83/333997483.db2.gz CNJVEIRBADLULH-WCQYABFASA-N 0 3 318.398 3.838 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)CC(F)(F)F ZINC000414524813 334007583 /nfs/dbraw/zinc/00/75/83/334007583.db2.gz HOASKQJPRDMFML-SNVBAGLBSA-N 0 3 320.311 3.672 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC2(CCOCC2)[C@H]1C(C)C ZINC000414539259 334012981 /nfs/dbraw/zinc/01/29/81/334012981.db2.gz MXDAWEBUQGBBNT-QGZVFWFLSA-N 0 3 318.417 3.540 20 5 DHBDHN C[C@H](CC(C)(C)O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295066108 334216770 /nfs/dbraw/zinc/21/67/70/334216770.db2.gz OVSUVUKTAGFSMS-MRVPVSSYSA-N 0 3 321.204 3.541 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2ccccc2F)c(Cl)c1 ZINC000049963158 334359627 /nfs/dbraw/zinc/35/96/27/334359627.db2.gz BRNDDAVMXUTSDK-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[C@H](F)C3)cs2)c1 ZINC000342310273 334527479 /nfs/dbraw/zinc/52/74/79/334527479.db2.gz UHHVRUNROAOWLJ-NWDGAFQWSA-N 0 3 321.377 3.699 20 5 DHBDHN CCC[C@@H](NCC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313735 335240091 /nfs/dbraw/zinc/24/00/91/335240091.db2.gz ZODFBXCWWFYPQN-IAGOWNOFSA-N 0 3 320.433 3.823 20 5 DHBDHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000345696622 335342653 /nfs/dbraw/zinc/34/26/53/335342653.db2.gz VZTMCMWOECJBGY-SJKOYZFVSA-N 0 3 318.348 3.600 20 5 DHBDHN CO[C@H](c1ccccc1F)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000345700136 335343152 /nfs/dbraw/zinc/34/31/52/335343152.db2.gz JRAMHNOTRRHKIX-PXAZEXFGSA-N 0 3 318.348 3.600 20 5 DHBDHN Cc1csc(C2(NCCc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000345723993 335345839 /nfs/dbraw/zinc/34/58/39/335345839.db2.gz KEYOWYDNAATARZ-UHFFFAOYSA-N 0 3 317.414 3.571 20 5 DHBDHN Cc1cc(NC[C@H](O)CC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000324219555 336110302 /nfs/dbraw/zinc/11/03/02/336110302.db2.gz VAUJRZCDMXENPF-CYBMUJFWSA-N 0 3 317.389 3.660 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000332317059 336167945 /nfs/dbraw/zinc/16/79/45/336167945.db2.gz MWTWDSWNRDVVPW-QWHCGFSZSA-N 0 3 317.414 3.992 20 5 DHBDHN COc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192591138 336169826 /nfs/dbraw/zinc/16/98/26/336169826.db2.gz SIJQUDYMULUEGD-GOSISDBHSA-N 0 3 312.369 3.771 20 5 DHBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540042 336223334 /nfs/dbraw/zinc/22/33/34/336223334.db2.gz GMMBQHHVSVAOKB-ZIAGYGMSSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@]2(CCCOC2)C1 ZINC000352546542 336223865 /nfs/dbraw/zinc/22/38/65/336223865.db2.gz WRBFQRBAVPKMGZ-YJBOKZPZSA-N 0 3 318.417 3.857 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522598 336252535 /nfs/dbraw/zinc/25/25/35/336252535.db2.gz KTTWYGOMISWTJH-IAOVAPTHSA-N 0 3 318.417 3.902 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000301820323 336332285 /nfs/dbraw/zinc/33/22/85/336332285.db2.gz AZOGLEDBFXYNEN-QAPCUYQASA-N 0 3 311.385 3.761 20 5 DHBDHN CN1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301823999 336332441 /nfs/dbraw/zinc/33/24/41/336332441.db2.gz CWJXOKGXMVIJPK-WBVHZDCISA-N 0 3 315.348 3.591 20 5 DHBDHN CCC[C@H](NCCc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000353986764 336452904 /nfs/dbraw/zinc/45/29/04/336452904.db2.gz LBTYUOIEHDAJCB-INIZCTEOSA-N 0 3 303.362 3.565 20 5 DHBDHN CCC[C@H](N[C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359083199 336656894 /nfs/dbraw/zinc/65/68/94/336656894.db2.gz OZMPHKOKPZSLOL-WBVHZDCISA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@H]1N(Cc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000375240397 337006402 /nfs/dbraw/zinc/00/64/02/337006402.db2.gz XDMVVTICNBDFMQ-GFCCVEGCSA-N 0 3 324.808 3.639 20 5 DHBDHN CSC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000193648903 337078898 /nfs/dbraw/zinc/07/88/98/337078898.db2.gz LPIZVXWAQMKTQT-UHFFFAOYSA-N 0 3 300.811 3.624 20 5 DHBDHN Cc1cnccc1CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583082012 337237226 /nfs/dbraw/zinc/23/72/26/337237226.db2.gz ZYANVPZEVLNLKU-UHFFFAOYSA-N 0 3 311.385 3.505 20 5 DHBDHN CC[C@@H](NC[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288133 337255208 /nfs/dbraw/zinc/25/52/08/337255208.db2.gz JSGJNQJLYYHOBW-DLBZAZTESA-N 0 3 312.369 3.639 20 5 DHBDHN Cc1ccc([C@H](C)NCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000536808289 337394802 /nfs/dbraw/zinc/39/48/02/337394802.db2.gz WKHNZVKBAMGGAW-ZDUSSCGKSA-N 0 3 318.348 3.772 20 5 DHBDHN C[C@H](N[C@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000247141035 337557973 /nfs/dbraw/zinc/55/79/73/337557973.db2.gz QXDRXFORPQRICL-RRQGHBQHSA-N 0 3 314.389 3.626 20 5 DHBDHN C[C@@H](NCc1cccc2c1CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423417421 337716603 /nfs/dbraw/zinc/71/66/03/337716603.db2.gz SJBXGFGBKOVDAG-CYBMUJFWSA-N 0 3 311.385 3.804 20 5 DHBDHN CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000429232842 338074134 /nfs/dbraw/zinc/07/41/34/338074134.db2.gz CBWFIOXXSJUIOU-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN COC1(C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000429434589 338080857 /nfs/dbraw/zinc/08/08/57/338080857.db2.gz XQHZOTOZPSQJQQ-NSHDSACASA-N 0 3 312.797 3.686 20 5 DHBDHN C[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403101 338270914 /nfs/dbraw/zinc/27/09/14/338270914.db2.gz FZIZHVZGRBONQR-YPMHNXCESA-N 0 3 317.414 3.997 20 5 DHBDHN CO[C@H]1CCCC[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000442811710 338433182 /nfs/dbraw/zinc/43/31/82/338433182.db2.gz PTRJZYDMYMPQKW-ULQDDVLXSA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CNCCC3CCCCC3)nc2c1 ZINC000446837914 338537775 /nfs/dbraw/zinc/53/77/75/338537775.db2.gz CBIZYTFJRWNLRD-UHFFFAOYSA-N 0 3 302.378 3.531 20 5 DHBDHN C[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447597791 338560995 /nfs/dbraw/zinc/56/09/95/338560995.db2.gz GWLUDHUJLCWMJY-ZANVPECISA-N 0 3 302.296 3.760 20 5 DHBDHN COc1ccccc1[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059004 338589191 /nfs/dbraw/zinc/58/91/91/338589191.db2.gz NVVKFGWNVDAMMR-KBPBESRZSA-N 0 3 314.385 3.885 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCc2occc21 ZINC000449077045 338591046 /nfs/dbraw/zinc/59/10/46/338591046.db2.gz QUHWXDYWQDLDKH-DOMZBBRYSA-N 0 3 300.358 3.786 20 5 DHBDHN C[C@H]1CCCC[C@@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618789 339038666 /nfs/dbraw/zinc/03/86/66/339038666.db2.gz SZLPAJGPWQTQKP-MEDUHNTESA-N 0 3 302.378 3.530 20 5 DHBDHN CCC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000459815353 339049615 /nfs/dbraw/zinc/04/96/15/339049615.db2.gz YFXIOVJDXMOZBE-ZDUSSCGKSA-N 0 3 302.378 3.530 20 5 DHBDHN CC(C)O[C@@H]1C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022526 339100838 /nfs/dbraw/zinc/10/08/38/339100838.db2.gz JRCHGEONUWCGNE-APHBMKBZSA-N 0 3 306.406 3.838 20 5 DHBDHN CC(C)O[C@@H]1C[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027219 339101258 /nfs/dbraw/zinc/10/12/58/339101258.db2.gz CVHBEXPHEJRIPD-UHOFOFEASA-N 0 3 306.406 3.838 20 5 DHBDHN COc1cc(CNC2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464493032 339143515 /nfs/dbraw/zinc/14/35/15/339143515.db2.gz FMXSIACXOWJMGC-QWRGUYRKSA-N 0 3 310.369 3.657 20 5 DHBDHN COc1cc(CN[C@@H](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000464493066 339143540 /nfs/dbraw/zinc/14/35/40/339143540.db2.gz KLPIYFGVLFORLW-NSHDSACASA-N 0 3 310.369 3.801 20 5 DHBDHN Cc1cccc(C)c1OCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467832048 339247058 /nfs/dbraw/zinc/24/70/58/339247058.db2.gz NSNVMPIBMDWDHX-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN COc1ccc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])cc1F ZINC000467979383 339250348 /nfs/dbraw/zinc/25/03/48/339250348.db2.gz VNRYULAIFSYIOZ-GFCCVEGCSA-N 0 3 318.348 3.636 20 5 DHBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000467982199 339250438 /nfs/dbraw/zinc/25/04/38/339250438.db2.gz HDTOEACAARETAZ-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2C)CCC(C)CC1 ZINC000475437083 339451459 /nfs/dbraw/zinc/45/14/59/339451459.db2.gz HQVTVVYLXPQVIJ-UHFFFAOYSA-N 0 3 306.406 3.588 20 5 DHBDHN Cc1c(CN[C@@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000477743202 339500296 /nfs/dbraw/zinc/50/02/96/339500296.db2.gz IKCXCTPOGJVNLN-MRXNPFEDSA-N 0 3 300.333 3.819 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138204 339681729 /nfs/dbraw/zinc/68/17/29/339681729.db2.gz OLWFVEIMMMAPDP-YOEHRIQHSA-N 0 3 308.422 3.741 20 5 DHBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000487928267 339766083 /nfs/dbraw/zinc/76/60/83/339766083.db2.gz IKLYVSMQIQCGSL-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488431066 339781688 /nfs/dbraw/zinc/78/16/88/339781688.db2.gz KIDMOPAISYBWTD-DOMZBBRYSA-N 0 3 324.446 3.613 20 5 DHBDHN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000502596143 340108829 /nfs/dbraw/zinc/10/88/29/340108829.db2.gz OWLZMMAHOCRSRD-MPKXVKKWSA-N 0 3 314.332 3.796 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000971 340205149 /nfs/dbraw/zinc/20/51/49/340205149.db2.gz GTVOXVNNVQAJCC-PBHICJAKSA-N 0 3 311.385 3.842 20 5 DHBDHN CCCC[C@@H](CC)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000509604103 340274433 /nfs/dbraw/zinc/27/44/33/340274433.db2.gz UOSMNEVNRHKMAT-GFCCVEGCSA-N 0 3 310.394 3.615 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000511061673 340319723 /nfs/dbraw/zinc/31/97/23/340319723.db2.gz YPMAJVZGMBYRLU-UHFFFAOYSA-N 0 3 304.777 3.923 20 5 DHBDHN C[C@@H](c1cccc(F)c1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511061762 340319829 /nfs/dbraw/zinc/31/98/29/340319829.db2.gz BGZXRBRKWOPGAF-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccc(F)cc21 ZINC000511103683 340320739 /nfs/dbraw/zinc/32/07/39/340320739.db2.gz DMGUORPUCFPSJO-GOSISDBHSA-N 0 3 314.360 3.896 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccc(F)cc21 ZINC000511103686 340320766 /nfs/dbraw/zinc/32/07/66/340320766.db2.gz DMGUORPUCFPSJO-SFHVURJKSA-N 0 3 314.360 3.896 20 5 DHBDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724288 340336315 /nfs/dbraw/zinc/33/63/15/340336315.db2.gz VDOYGVMHOUQJNL-XQQFMLRXSA-N 0 3 309.385 3.512 20 5 DHBDHN Cc1c(CNC/C=C\c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000511763056 340337539 /nfs/dbraw/zinc/33/75/39/340337539.db2.gz PPIHDQXZDCXINR-ARJAWSKDSA-N 0 3 318.323 3.984 20 5 DHBDHN COCCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512259741 340354449 /nfs/dbraw/zinc/35/44/49/340354449.db2.gz KWEQBGGYOZRFQR-UHFFFAOYSA-N 0 3 320.414 3.792 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000512697630 340373519 /nfs/dbraw/zinc/37/35/19/340373519.db2.gz CYSJWHUVBJRSJZ-ZBFHGGJFSA-N 0 3 311.385 3.842 20 5 DHBDHN CCOc1ccccc1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000512744381 340375478 /nfs/dbraw/zinc/37/54/78/340375478.db2.gz LOKUOTFLNQXUFV-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN Cc1ccc(CNCC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000512968192 340386060 /nfs/dbraw/zinc/38/60/60/340386060.db2.gz VRUOCDRCIUGFFJ-UHFFFAOYSA-N 0 3 302.296 3.725 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNCC[C@H](C)c1ccccc1 ZINC000237192524 340668787 /nfs/dbraw/zinc/66/87/87/340668787.db2.gz YGUKZAIIHQFHMP-AWEZNQCLSA-N 0 3 314.385 3.887 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(OC(C)C)CC1 ZINC000530341998 340788687 /nfs/dbraw/zinc/78/86/87/340788687.db2.gz WTFMMDMFJQPWIY-RVDMUPIBSA-N 0 3 318.417 3.888 20 5 DHBDHN Cc1ccc([C@H](C)NCCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000537989339 340806021 /nfs/dbraw/zinc/80/60/21/340806021.db2.gz BBJGRPDKLAZMLF-ZDUSSCGKSA-N 0 3 318.348 3.772 20 5 DHBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000537991862 340806116 /nfs/dbraw/zinc/80/61/16/340806116.db2.gz QWOZREDYBKPBOY-LLVKDONJSA-N 0 3 302.399 3.996 20 5 DHBDHN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000538445159 340824051 /nfs/dbraw/zinc/82/40/51/340824051.db2.gz GXTZSNCKGNKSJG-SJKOYZFVSA-N 0 3 318.348 3.600 20 5 DHBDHN Cc1c([C@H](C)NCCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000540171810 340920245 /nfs/dbraw/zinc/92/02/45/340920245.db2.gz AZRVPJSKLSNQOQ-AWEZNQCLSA-N 0 3 306.406 3.903 20 5 DHBDHN Cc1ccc([C@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000564253464 340999608 /nfs/dbraw/zinc/99/96/08/340999608.db2.gz ZVRNFOYNWKLZGV-LBPRGKRZSA-N 0 3 313.357 3.871 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCc1ccccc1O ZINC000543249357 341038335 /nfs/dbraw/zinc/03/83/35/341038335.db2.gz QQRZWKPHMKPXQB-AWEZNQCLSA-N 0 3 314.385 3.844 20 5 DHBDHN COc1ccc(CCCN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000072014238 341056930 /nfs/dbraw/zinc/05/69/30/341056930.db2.gz VNXBROSDXVSZBK-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000544611517 341088967 /nfs/dbraw/zinc/08/89/67/341088967.db2.gz FUYPFYBOVJYNKS-JKSUJKDBSA-N 0 3 306.431 3.763 20 5 DHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000132093387 341116204 /nfs/dbraw/zinc/11/62/04/341116204.db2.gz MMKGZXPGKDGBNU-LBPRGKRZSA-N 0 3 318.398 3.544 20 5 DHBDHN CCOc1cccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549810204 341303780 /nfs/dbraw/zinc/30/37/80/341303780.db2.gz OJYOORUJEAAWKQ-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN C[C@@H]1Oc2ccccc2[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000554721569 341462103 /nfs/dbraw/zinc/46/21/03/341462103.db2.gz CYNVRMYUKODVMH-PXWYNKGWSA-N 0 3 310.353 3.720 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1COc2ccccc2C1 ZINC000164320202 341704913 /nfs/dbraw/zinc/70/49/13/341704913.db2.gz KTQJTCDDJWNLFP-HIFRSBDPSA-N 0 3 312.369 3.558 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCCCC1(F)F ZINC000577077559 341883967 /nfs/dbraw/zinc/88/39/67/341883967.db2.gz QMDGUIXTWAVRLU-FZMZJTMJSA-N 0 3 310.344 3.997 20 5 DHBDHN CCCO[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721540 520287464 /nfs/dbraw/zinc/28/74/64/520287464.db2.gz HOPOAESAKZLUNN-GJZGRUSLSA-N 0 3 306.406 3.937 20 5 DHBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000266157089 520668316 /nfs/dbraw/zinc/66/83/16/520668316.db2.gz MIWDYIQTKYWOEF-CFVMTHIKSA-N 0 3 324.808 3.541 20 5 DHBDHN CC1CC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000266963958 520906936 /nfs/dbraw/zinc/90/69/36/520906936.db2.gz LJYUFERYQGTXGJ-UHFFFAOYSA-N 0 3 303.387 3.606 20 5 DHBDHN CC[C@@H](NC[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157680020 522862906 /nfs/dbraw/zinc/86/29/06/522862906.db2.gz WODISNFGBDWEFN-SJORKVTESA-N 0 3 318.348 3.508 20 5 DHBDHN Cc1ccc([C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130689637 525975718 /nfs/dbraw/zinc/97/57/18/525975718.db2.gz ALXBZHWSNQNHHM-KBXCAEBGSA-N 0 3 314.385 3.596 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297350330 535411846 /nfs/dbraw/zinc/41/18/46/535411846.db2.gz PBULCQVUYDVFCN-SNVBAGLBSA-N 0 3 302.321 3.689 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000517736056 1013054710 /nfs/dbraw/zinc/05/47/10/1013054710.db2.gz FPRJVBYVXZNZBD-CZUORRHYSA-N 0 3 324.808 3.639 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3C3CCC3)nc2c1 ZINC000610581333 1014861452 /nfs/dbraw/zinc/86/14/52/1014861452.db2.gz AOAOEWZVJDKQPT-AWEZNQCLSA-N 0 3 301.346 3.501 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CCCCO2)CC1 ZINC000895659123 1015246430 /nfs/dbraw/zinc/24/64/30/1015246430.db2.gz SQPSMXPIZPSGNA-FNORWQNLSA-N 0 3 316.401 3.643 20 5 DHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1cccs1 ZINC000051231146 1015345467 /nfs/dbraw/zinc/34/54/67/1015345467.db2.gz BZGUSRRYMRKXDN-AWEZNQCLSA-N 0 3 318.398 3.872 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(Cc2ccc3nc[nH]c3c2)C2CC2)c1 ZINC000535785933 1015824000 /nfs/dbraw/zinc/82/40/00/1015824000.db2.gz YYWYSMWGYYOASU-UHFFFAOYSA-N 0 3 322.368 3.636 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707079 1016582074 /nfs/dbraw/zinc/58/20/74/1016582074.db2.gz MZEVJNLNXCGNIX-TZMCWYRMSA-N 0 3 322.405 3.623 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(C[C@H](O)C2CCCCC2)C2CC2)c1 ZINC000475054968 1016761099 /nfs/dbraw/zinc/76/10/99/1016761099.db2.gz QHPGIKPLCHFGKO-SFHVURJKSA-N 0 3 318.417 3.500 20 5 DHBDHN COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192610141 1032578565 /nfs/dbraw/zinc/57/85/65/1032578565.db2.gz PYLVSISPRHVZMU-SFHVURJKSA-N 0 3 312.369 3.771 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN(C3CC3)C3CCCC3)nc2c1 ZINC000083168391 1017607088 /nfs/dbraw/zinc/60/70/88/1017607088.db2.gz JTDSBYDSIWQTGK-UHFFFAOYSA-N 0 3 301.346 3.643 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000444659756 1017610710 /nfs/dbraw/zinc/61/07/10/1017610710.db2.gz DZJNWBHZEZGSAZ-RISCZKNCSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173232058 1018146518 /nfs/dbraw/zinc/14/65/18/1018146518.db2.gz GUTWWOVCKDAEHG-KZULUSFZSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1nc(C)c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278644116 1018981165 /nfs/dbraw/zinc/98/11/65/1018981165.db2.gz HSPNOBZAUKWSTE-HNNXBMFYSA-N 0 3 317.414 3.835 20 5 DHBDHN CC(C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312211 1019265357 /nfs/dbraw/zinc/26/53/57/1019265357.db2.gz XMSAOYOBYBBYEX-UHFFFAOYSA-N 0 3 305.403 3.854 20 5 DHBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc(F)c(F)c(F)c1 ZINC000540829739 1019379307 /nfs/dbraw/zinc/37/93/07/1019379307.db2.gz RGVKRPCKAVOWFC-UHFFFAOYSA-N 0 3 324.302 3.687 20 5 DHBDHN C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000611413472 1019476911 /nfs/dbraw/zinc/47/69/11/1019476911.db2.gz WHVYFBGQGJMMNY-TZMCWYRMSA-N 0 3 317.414 3.731 20 5 DHBDHN Cc1ccc(CCCNCc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000611426384 1019482612 /nfs/dbraw/zinc/48/26/12/1019482612.db2.gz RBHJKMCRCYRSAZ-UHFFFAOYSA-N 0 3 304.415 3.996 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](Nc2ccccc2)C1 ZINC000255831119 1019605913 /nfs/dbraw/zinc/60/59/13/1019605913.db2.gz NLWRKZBQAGOLPL-POZKEBTKSA-N 0 3 323.396 3.794 20 5 DHBDHN Cc1c(CN[C@H]2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000318185970 1020032299 /nfs/dbraw/zinc/03/22/99/1020032299.db2.gz PXYUYGBIUPVRCT-INIZCTEOSA-N 0 3 300.333 3.819 20 5 DHBDHN CSCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093509502 1020156863 /nfs/dbraw/zinc/15/68/63/1020156863.db2.gz PMZWQRPLEWXVEJ-UHFFFAOYSA-N 0 3 306.387 3.650 20 5 DHBDHN Cc1cc(NCCCC(C)(C)CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000302150134 1020416592 /nfs/dbraw/zinc/41/65/92/1020416592.db2.gz HMMPBFIUTOEDCO-UHFFFAOYSA-N 0 3 317.389 3.662 20 5 DHBDHN CC[C@@H](NCc1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC001168741779 1020485844 /nfs/dbraw/zinc/48/58/44/1020485844.db2.gz RUTXTBPYRKKWCJ-GOSISDBHSA-N 0 3 312.369 3.866 20 5 DHBDHN CCOCc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000917135526 1021191489 /nfs/dbraw/zinc/19/14/89/1021191489.db2.gz DSMHGVQMCZWGLI-UHFFFAOYSA-N 0 3 314.385 3.730 20 5 DHBDHN Cc1cc(NCCCc2ccccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181532116 1021229525 /nfs/dbraw/zinc/22/95/25/1021229525.db2.gz AAQKNPFJLRBJJA-UHFFFAOYSA-N 0 3 322.368 3.891 20 5 DHBDHN CCO[C@H]1C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198581 1021325476 /nfs/dbraw/zinc/32/54/76/1021325476.db2.gz FHKZQCQKJVJUIC-CABCVRRESA-N 0 3 318.398 3.590 20 5 DHBDHN O=[N+]([O-])c1ccc2nc(SCCN3CCCCC3)sc2c1 ZINC000917751326 1021357627 /nfs/dbraw/zinc/35/76/27/1021357627.db2.gz YTJYYDZUWXMSHN-UHFFFAOYSA-N 0 3 323.443 3.783 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccccc1F ZINC000743848746 1021375899 /nfs/dbraw/zinc/37/58/99/1021375899.db2.gz CIUCYYUPJOJGJB-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN CC1(C)[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1(F)F ZINC000850394638 1021508007 /nfs/dbraw/zinc/50/80/07/1021508007.db2.gz XQXFQRDYCAELOT-LLVKDONJSA-N 0 3 304.724 3.629 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC000619739252 1021854455 /nfs/dbraw/zinc/85/44/55/1021854455.db2.gz OMTSSKABQLZZSZ-UHFFFAOYSA-N 0 3 302.378 3.626 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000183311810 1022101116 /nfs/dbraw/zinc/10/11/16/1022101116.db2.gz KDZPYNXWLFMOFS-QGZVFWFLSA-N 0 3 311.385 3.590 20 5 DHBDHN CO[C@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC001168849169 1022161170 /nfs/dbraw/zinc/16/11/70/1022161170.db2.gz WHDANYYHAHIFJP-GOSISDBHSA-N 0 3 318.417 3.764 20 5 DHBDHN C[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986642 1022217437 /nfs/dbraw/zinc/21/74/37/1022217437.db2.gz XZVSFMLIANPQKY-GARJFASQSA-N 0 3 300.761 3.575 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCC(F)(F)F)CCCC2 ZINC000417316255 1022673776 /nfs/dbraw/zinc/67/37/76/1022673776.db2.gz UDOYIRYSVKZMCO-CYBMUJFWSA-N 0 3 302.296 3.904 20 5 DHBDHN C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304051 1022688650 /nfs/dbraw/zinc/68/86/50/1022688650.db2.gz JEEDWCOFJKXKCS-BDJLRTHQSA-N 0 3 320.776 3.632 20 5 DHBDHN CC[C@@]1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000616487747 1022733870 /nfs/dbraw/zinc/73/38/70/1022733870.db2.gz XHWCKVPJZGJFAT-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN CCN(CC(=O)NC)Cc1c2ccccc2cc2ccccc21 ZINC000768301651 1022942875 /nfs/dbraw/zinc/94/28/75/1022942875.db2.gz GDTAQLYVOQAHFX-UHFFFAOYSA-N 0 3 306.409 3.561 20 5 DHBDHN CC1(NCc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2C1 ZINC000768655441 1023004945 /nfs/dbraw/zinc/00/49/45/1023004945.db2.gz LNFLUVIUNQLILF-UHFFFAOYSA-N 0 3 316.788 3.895 20 5 DHBDHN CCNC(=O)CN(C)Cc1c2ccccc2cc2ccccc21 ZINC000768916101 1023054863 /nfs/dbraw/zinc/05/48/63/1023054863.db2.gz SGIVQSFGZULLKL-UHFFFAOYSA-N 0 3 306.409 3.561 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN(Cc2ccccc2F)C2CC2)cc1 ZINC000108086766 1023524771 /nfs/dbraw/zinc/52/47/71/1023524771.db2.gz UZBMTUGGSYKRDL-UHFFFAOYSA-N 0 3 314.360 3.941 20 5 DHBDHN CCC[C@@H](NC[C@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007819 1024218886 /nfs/dbraw/zinc/21/88/86/1024218886.db2.gz QZFLEYSJHKADGT-CVEARBPZSA-N 0 3 318.373 3.661 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3(C4CC4)CC3)cs2)c1 ZINC000532120483 1024557690 /nfs/dbraw/zinc/55/76/90/1024557690.db2.gz NVQRPZQKFSYDFA-UHFFFAOYSA-N 0 3 315.398 3.751 20 5 DHBDHN COc1cc(CN(C)C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000585754357 1024595191 /nfs/dbraw/zinc/59/51/91/1024595191.db2.gz JRGNHMLEWBAVOJ-UHFFFAOYSA-N 0 3 314.385 3.971 20 5 DHBDHN CC(C)N(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000349287020 1024695763 /nfs/dbraw/zinc/69/57/63/1024695763.db2.gz UAXPXBUCIFDFOQ-TWGQIWQCSA-N 0 3 311.385 3.914 20 5 DHBDHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879191 1024819013 /nfs/dbraw/zinc/81/90/13/1024819013.db2.gz FRBFCSVDLXBYHH-RISCZKNCSA-N 0 3 307.350 3.514 20 5 DHBDHN C[C@@H]1CCCC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879189 1024821206 /nfs/dbraw/zinc/82/12/06/1024821206.db2.gz FRBFCSVDLXBYHH-BXUZGUMPSA-N 0 3 307.350 3.514 20 5 DHBDHN CCSCC[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000135295591 1025208041 /nfs/dbraw/zinc/20/80/41/1025208041.db2.gz UVDSUEIDRQBPNP-JTQLQIEISA-N 0 3 302.827 3.870 20 5 DHBDHN CSCCCCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877303393 1033278807 /nfs/dbraw/zinc/27/88/07/1033278807.db2.gz FRIWZRHQFBUISN-UHFFFAOYSA-N 0 3 323.418 3.749 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000804812678 1025485751 /nfs/dbraw/zinc/48/57/51/1025485751.db2.gz KQHXSIIHWGOHMQ-OCCSQVGLSA-N 0 3 323.824 3.620 20 5 DHBDHN C[C@H]1[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000419367604 1026274139 /nfs/dbraw/zinc/27/41/39/1026274139.db2.gz DHIBKNAFUPOZDT-JHJVBQTASA-N 0 3 315.373 3.726 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000120620245 1026338177 /nfs/dbraw/zinc/33/81/77/1026338177.db2.gz GIPUFIHHQBFVCI-UHFFFAOYSA-N 0 3 312.369 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CC4(C3)CCCCC4)nc2c1 ZINC000421386402 1026976686 /nfs/dbraw/zinc/97/66/86/1026976686.db2.gz LRDJBFRNESEFJU-UHFFFAOYSA-N 0 3 314.389 3.674 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCc1ccco1 ZINC000811472652 1027015309 /nfs/dbraw/zinc/01/53/09/1027015309.db2.gz LKIIJUQEVSWOOU-UHFFFAOYSA-N 0 3 315.156 3.827 20 5 DHBDHN COc1cccc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933490 1027342697 /nfs/dbraw/zinc/34/26/97/1027342697.db2.gz GWOYYFLQUIIXRX-SJKOYZFVSA-N 0 3 312.369 3.942 20 5 DHBDHN C[C@H]1C[C@@H]1c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000575929987 1027528708 /nfs/dbraw/zinc/52/87/08/1027528708.db2.gz YMEFHKYIYGIGSG-GUYCJALGSA-N 0 3 314.385 3.986 20 5 DHBDHN Cc1cc2occ(CC(=O)OCC(C)[N+](=O)[O-])c2cc1C(C)C ZINC000813114010 1027535333 /nfs/dbraw/zinc/53/53/33/1027535333.db2.gz KXVXZBRWTWDLNC-LBPRGKRZSA-N 0 3 319.357 3.616 20 5 DHBDHN CC(COC(=O)CCCc1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813114930 1027535604 /nfs/dbraw/zinc/53/56/04/1027535604.db2.gz YAHXZJACFWYKKU-SECBINFHSA-N 0 3 320.172 3.525 20 5 DHBDHN C[C@H](NCc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423449164 1027547373 /nfs/dbraw/zinc/54/73/73/1027547373.db2.gz QZJZPUOQLIWBHH-ZDUSSCGKSA-N 0 3 311.385 3.804 20 5 DHBDHN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000217198328 1028218410 /nfs/dbraw/zinc/21/84/10/1028218410.db2.gz YRWPFXZXMIAHDB-QGZVFWFLSA-N 0 3 314.360 3.723 20 5 DHBDHN Cc1csc([C@@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116681 1028372665 /nfs/dbraw/zinc/37/26/65/1028372665.db2.gz MFCOHJJOFLGYES-CMPLNLGQSA-N 0 3 305.403 3.642 20 5 DHBDHN Cc1cnc([C@@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174039 1028415118 /nfs/dbraw/zinc/41/51/18/1028415118.db2.gz GZKMDQQQBVERNH-CMPLNLGQSA-N 0 3 305.403 3.642 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815564997 1028545474 /nfs/dbraw/zinc/54/54/74/1028545474.db2.gz ZUAUFUITJSTCTH-GHMZBOCLSA-N 0 3 305.403 3.959 20 5 DHBDHN CCc1cnccc1[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600321 1028565190 /nfs/dbraw/zinc/56/51/90/1028565190.db2.gz QLWNZSLRXUHXCH-RYUDHWBXSA-N 0 3 314.389 3.546 20 5 DHBDHN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616592 1028573030 /nfs/dbraw/zinc/57/30/30/1028573030.db2.gz SDKKAYFIJDBDBM-WCBMZHEXSA-N 0 3 305.300 3.559 20 5 DHBDHN CC(C)c1ccc(CN2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449687604 1028926094 /nfs/dbraw/zinc/92/60/94/1028926094.db2.gz QFHNHABNWFNPIM-GOSISDBHSA-N 0 3 318.417 3.721 20 5 DHBDHN COc1cc(F)cc(C[C@@H](C)NCc2csc([N+](=O)[O-])c2)c1 ZINC000449781727 1028998860 /nfs/dbraw/zinc/99/88/60/1028998860.db2.gz JKQXXSYXWBVTEV-SNVBAGLBSA-N 0 3 324.377 3.525 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ccncc2)C1 ZINC000451000647 1029762208 /nfs/dbraw/zinc/76/22/08/1029762208.db2.gz GGZPZANJVSZHBU-GOEBONIOSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCOC1 ZINC000357345219 1030006446 /nfs/dbraw/zinc/00/64/46/1030006446.db2.gz NSOMRPGOPGKNEF-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN C[C@@H]1SCC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435281 1030561185 /nfs/dbraw/zinc/56/11/85/1030561185.db2.gz RVGYHYNUZAMFEI-WRWORJQWSA-N 0 3 321.229 3.885 20 5 DHBDHN CC(C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000824583260 1030593863 /nfs/dbraw/zinc/59/38/63/1030593863.db2.gz KFWRQIPLMQZMAE-UHFFFAOYSA-N 0 3 319.792 3.711 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccns1 ZINC000926112931 1030620667 /nfs/dbraw/zinc/62/06/67/1030620667.db2.gz JRQIZOJNHOVWOX-SECBINFHSA-N 0 3 311.794 3.598 20 5 DHBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1(Cl)Cl ZINC000824771392 1030630421 /nfs/dbraw/zinc/63/04/21/1030630421.db2.gz BXEAXYXNONWTNA-LLVKDONJSA-N 0 3 323.607 3.922 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1cnn(C)c1)C(C)C ZINC000927065297 1031063454 /nfs/dbraw/zinc/06/34/54/1031063454.db2.gz GYAKIJHCNWZIJL-SUMWQHHRSA-N 0 3 316.405 3.685 20 5 DHBDHN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000844392762 1031096273 /nfs/dbraw/zinc/09/62/73/1031096273.db2.gz FTEBZMJLMWXHLD-DLBZAZTESA-N 0 3 318.348 3.508 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@H]1c1ccccc1)CC2 ZINC000536677281 1031386603 /nfs/dbraw/zinc/38/66/03/1031386603.db2.gz IKIBCHOMUBJWHX-MJGOQNOKSA-N 0 3 308.381 3.757 20 5 DHBDHN CSC[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040512 1031425398 /nfs/dbraw/zinc/42/53/98/1031425398.db2.gz ZPOFDUNBUZRQBQ-VHSXEESVSA-N 0 3 300.449 3.719 20 5 DHBDHN C[C@H](CCO)C1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872054571 1031443109 /nfs/dbraw/zinc/44/31/09/1031443109.db2.gz ZAHXLOZTUJFFPP-OLZOCXBDSA-N 0 3 324.396 3.573 20 5 DHBDHN CC(C)C[C@@H]1C[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058050 1031448697 /nfs/dbraw/zinc/44/86/97/1031448697.db2.gz MRCQKCNEMDMEIG-HZSPNIEDSA-N 0 3 324.396 3.978 20 5 DHBDHN CC(C)C[C@@H]1C[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058052 1031450001 /nfs/dbraw/zinc/45/00/01/1031450001.db2.gz MRCQKCNEMDMEIG-MGPQQGTHSA-N 0 3 324.396 3.978 20 5 DHBDHN C[C@@H](NCCCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073094 1031469055 /nfs/dbraw/zinc/46/90/55/1031469055.db2.gz MIJBJQJOQFJJIM-GFCCVEGCSA-N 0 3 310.369 3.591 20 5 DHBDHN COCC1(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872073103 1031469613 /nfs/dbraw/zinc/46/96/13/1031469613.db2.gz MOHRMFRMTOWMJS-GFCCVEGCSA-N 0 3 310.369 3.591 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCSC1 ZINC000293690085 1031571740 /nfs/dbraw/zinc/57/17/40/1031571740.db2.gz BTKQPRHHFLFSGN-NSHDSACASA-N 0 3 320.336 3.551 20 5 DHBDHN Cc1c(CN[C@H](c2cccnc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000360882344 1031601176 /nfs/dbraw/zinc/60/11/76/1031601176.db2.gz DGHWIKWEDWQHDA-SFHVURJKSA-N 0 3 311.385 3.929 20 5 DHBDHN CC([C@H](OC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872204 1031747324 /nfs/dbraw/zinc/74/73/24/1031747324.db2.gz DOTNZXHQCYDEGF-NHYWBVRUSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@@H](OC(=O)[C@H]1CC12CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845876041 1031747390 /nfs/dbraw/zinc/74/73/90/1031747390.db2.gz MQHPNNOKOHNXLJ-UXIGCNINSA-N 0 3 321.348 3.656 20 5 DHBDHN CC([C@@H](OC(=O)C1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872205 1031748876 /nfs/dbraw/zinc/74/88/76/1031748876.db2.gz DOTNZXHQCYDEGF-XHDPSFHLSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@H](OC(=O)C[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000845878565 1031750761 /nfs/dbraw/zinc/75/07/61/1031750761.db2.gz HILCQFGDNJSDDC-WHOOJLRASA-N 0 3 321.348 3.511 20 5 DHBDHN Cc1csc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845881505 1031753095 /nfs/dbraw/zinc/75/30/95/1031753095.db2.gz LLHKKQIYMSJNPP-IINYFYTJSA-N 0 3 323.345 3.759 20 5 DHBDHN Cc1cscc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881201 1031755024 /nfs/dbraw/zinc/75/50/24/1031755024.db2.gz ZGKFVISVLNJQRA-YGRLFVJLSA-N 0 3 323.345 3.759 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ccccc2)C1 ZINC000476231303 1031773427 /nfs/dbraw/zinc/77/34/27/1031773427.db2.gz LJYKFCANXPXFEL-HNNXBMFYSA-N 0 3 312.369 3.593 20 5 DHBDHN CC[C@H](NCc1cc(N)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000873287886 1031789232 /nfs/dbraw/zinc/78/92/32/1031789232.db2.gz NNCPEGBHGSUIBI-INIZCTEOSA-N 0 3 303.337 3.557 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1cncs1 ZINC000897932146 1031874940 /nfs/dbraw/zinc/87/49/40/1031874940.db2.gz IHTYCCCUOVUAKQ-IGEMTJHASA-N 0 3 303.387 3.805 20 5 DHBDHN C[C@H](N(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1(C)CC1 ZINC000777962353 1032045246 /nfs/dbraw/zinc/04/52/46/1032045246.db2.gz AOHPFRHQPHXBJP-ZDUSSCGKSA-N 0 3 314.389 3.536 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](C)[C@@H]2C)c1F ZINC001173190928 1033584031 /nfs/dbraw/zinc/58/40/31/1033584031.db2.gz XRAHTWCNTUHFJO-AGIUHOORSA-N 0 3 324.396 3.794 20 5 DHBDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439050 1033708692 /nfs/dbraw/zinc/70/86/92/1033708692.db2.gz PSAOZHYWAUWUGK-KBXCAEBGSA-N 0 3 314.385 3.759 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1F ZINC000879672782 1034078984 /nfs/dbraw/zinc/07/89/84/1034078984.db2.gz VTRCKFKLAXIVFG-ZYHUDNBSSA-N 0 3 318.270 3.721 20 5 DHBDHN O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880535452 1034351969 /nfs/dbraw/zinc/35/19/69/1034351969.db2.gz CPZVCYHZKFPPBF-ZOCIIQOWSA-N 0 3 324.380 3.563 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000555720959 1034874829 /nfs/dbraw/zinc/87/48/29/1034874829.db2.gz BLMYKAZIUQMOAA-LSDHHAIUSA-N 0 3 304.390 3.614 20 5 DHBDHN Cc1noc(CN2CCCCC23CCCCCC3)c1[N+](=O)[O-] ZINC001176958877 1035340519 /nfs/dbraw/zinc/34/05/19/1035340519.db2.gz JOIUJWDXYLDHJG-UHFFFAOYSA-N 0 3 307.394 3.970 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@H](C2CC2)C1 ZINC001180081952 1035588742 /nfs/dbraw/zinc/58/87/42/1035588742.db2.gz OTVAHIZVLFHVJX-LLVKDONJSA-N 0 3 314.307 3.846 20 5 DHBDHN Cc1noc(CN2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558958 1036235071 /nfs/dbraw/zinc/23/50/71/1036235071.db2.gz RMDKHNONOLJFMC-OLZOCXBDSA-N 0 3 307.394 3.539 20 5 DHBDHN Cc1ccc(CCNCc2ccc([N+](=O)[O-])cc2F)cc1C ZINC001182815499 1036464459 /nfs/dbraw/zinc/46/44/59/1036464459.db2.gz DQUHCGZOVCNBBY-UHFFFAOYSA-N 0 3 302.349 3.683 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840151 1036566160 /nfs/dbraw/zinc/56/61/60/1036566160.db2.gz BJUGWUNYNDEEJI-KGLIPLIRSA-N 0 3 314.385 3.807 20 5 DHBDHN COc1cc(CN(C)C[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001197602141 1036817653 /nfs/dbraw/zinc/81/76/53/1036817653.db2.gz OCUOCRYDPQXIEE-NSHDSACASA-N 0 3 312.385 3.857 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3C[C@@H]3C3CCCC3)nc2c1 ZINC001184388402 1036831022 /nfs/dbraw/zinc/83/10/22/1036831022.db2.gz QDCAGYVGQAHVDM-TZMCWYRMSA-N 0 3 315.373 3.652 20 5 DHBDHN CCOc1cc(CN2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000492556454 1036919303 /nfs/dbraw/zinc/91/93/03/1036919303.db2.gz FZBPVPQNXHIZND-AWEZNQCLSA-N 0 3 324.446 3.711 20 5 DHBDHN C[C@@H](COCC1CCCCC1)NCc1ccccc1[N+](=O)[O-] ZINC001198000819 1036922975 /nfs/dbraw/zinc/92/29/75/1036922975.db2.gz KASGFFHCSMZOPF-AWEZNQCLSA-N 0 3 306.406 3.670 20 5 DHBDHN CC(C)(C)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863494 1037131541 /nfs/dbraw/zinc/13/15/41/1037131541.db2.gz NRNKXDOOEUULSZ-CQSZACIVSA-N 0 3 321.377 3.904 20 5 DHBDHN COc1ccc(CN2CC=CC23CCCCC3)cc1[N+](=O)[O-] ZINC001198800982 1037138754 /nfs/dbraw/zinc/13/87/54/1037138754.db2.gz PCUZVCJYHBSAMZ-UHFFFAOYSA-N 0 3 302.374 3.678 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC001186872265 1037510828 /nfs/dbraw/zinc/51/08/28/1037510828.db2.gz LQQSXBJBVNAUGU-GJZGRUSLSA-N 0 3 309.797 3.677 20 5 DHBDHN CC[C@H](C)N[C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067105 1038225369 /nfs/dbraw/zinc/22/53/69/1038225369.db2.gz TXZYQDVJOGTZHZ-QWRGUYRKSA-N 0 3 309.391 3.791 20 5 DHBDHN Cc1nc(C)c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000590757627 1038700035 /nfs/dbraw/zinc/70/00/35/1038700035.db2.gz RZMHAUGXXYHSBQ-OAHLLOKOSA-N 0 3 315.373 3.579 20 5 DHBDHN COc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1 ZINC000573020688 1038736615 /nfs/dbraw/zinc/73/66/15/1038736615.db2.gz TUMNFDBKRRCIQI-KRWDZBQOSA-N 0 3 312.369 3.689 20 5 DHBDHN CC(C)c1ccc(CNCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000061013797 1038860896 /nfs/dbraw/zinc/86/08/96/1038860896.db2.gz NJCLNIJPNJTEBL-UHFFFAOYSA-N 0 3 314.385 3.887 20 5 DHBDHN CCN(CCOc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000603845908 1039180510 /nfs/dbraw/zinc/18/05/10/1039180510.db2.gz AQICZPWHSPOVJK-UHFFFAOYSA-N 0 3 318.348 3.635 20 5 DHBDHN CCC(CC)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000604434806 1039474036 /nfs/dbraw/zinc/47/40/36/1039474036.db2.gz PSVUEBROQXMZOQ-UHFFFAOYSA-N 0 3 320.389 3.614 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000594970306 1039947675 /nfs/dbraw/zinc/94/76/75/1039947675.db2.gz XVUGRIQXZHSQFI-SAZUREKKSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](OC2CCC2)C1 ZINC000594027736 1039956727 /nfs/dbraw/zinc/95/67/27/1039956727.db2.gz ZFXLKPYNJPRCOU-PBHICJAKSA-N 0 3 318.417 3.998 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCC(F)(F)C1 ZINC000595022534 1039985942 /nfs/dbraw/zinc/98/59/42/1039985942.db2.gz MKMOGVFYUWJWLU-QWRGUYRKSA-N 0 3 314.332 3.832 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCCC(F)(F)C1 ZINC000595022533 1039986084 /nfs/dbraw/zinc/98/60/84/1039986084.db2.gz MKMOGVFYUWJWLU-MNOVXSKESA-N 0 3 314.332 3.832 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCC1(F)F ZINC000595042214 1040045740 /nfs/dbraw/zinc/04/57/40/1040045740.db2.gz QUBJWYHCDOUQAS-GHMZBOCLSA-N 0 3 314.332 3.689 20 5 DHBDHN O=[N+]([O-])c1cc(F)ccc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000595327813 1040097819 /nfs/dbraw/zinc/09/78/19/1040097819.db2.gz SGESCYQOHABNGJ-MRXNPFEDSA-N 0 3 322.380 3.658 20 5 DHBDHN Cc1noc(CN2C[C@@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323571 1040108847 /nfs/dbraw/zinc/10/88/47/1040108847.db2.gz ZKJKAIRKRVOLBB-JSGCOSHPSA-N 0 3 315.373 3.578 20 5 DHBDHN Cc1noc(CN2C[C@H](c3ccc(C)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595479628 1040150689 /nfs/dbraw/zinc/15/06/89/1040150689.db2.gz GAVFXZPOIFXNLC-IUODEOHRSA-N 0 3 315.373 3.578 20 5 DHBDHN CC[C@@H](C)N(CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595600868 1040201642 /nfs/dbraw/zinc/20/16/42/1040201642.db2.gz QGQMOKNWAUDFRC-GFCCVEGCSA-N 0 3 303.362 3.870 20 5 DHBDHN CSC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000227944522 1040549727 /nfs/dbraw/zinc/54/97/27/1040549727.db2.gz ZZLJKQLXTFLNBP-UHFFFAOYSA-N 0 3 300.811 3.624 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000597224399 1040703398 /nfs/dbraw/zinc/70/33/98/1040703398.db2.gz ICAMMXRHGMJUDJ-GOSISDBHSA-N 0 3 318.417 3.684 20 5 DHBDHN CCCc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000598630245 1041367827 /nfs/dbraw/zinc/36/78/27/1041367827.db2.gz DUSZOAJBRKZSIO-UHFFFAOYSA-N 0 3 320.414 3.907 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000272130467 130001006 /nfs/dbraw/zinc/00/10/06/130001006.db2.gz WKIVEDHBWVULRW-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCC2(CCOCC2)C1 ZINC000272293130 130017624 /nfs/dbraw/zinc/01/76/24/130017624.db2.gz HKBKCFOWEUPSNX-HNNXBMFYSA-N 0 3 318.417 3.857 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000272409645 130028017 /nfs/dbraw/zinc/02/80/17/130028017.db2.gz FOQPBSMSGHVPKD-KGLIPLIRSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cccc(CCCNCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000285729409 131196904 /nfs/dbraw/zinc/19/69/04/131196904.db2.gz XLCGLGRSTXECMR-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN Cc1ccnc([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000286181844 131223631 /nfs/dbraw/zinc/22/36/31/131223631.db2.gz QIRGXYKOJNEJIU-LBPRGKRZSA-N 0 3 319.792 3.845 20 5 DHBDHN Cc1c(CN2CCC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000289269839 131370110 /nfs/dbraw/zinc/37/01/10/131370110.db2.gz DYOCVTVPHWJNHC-QGZVFWFLSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc([C@H](C)NCC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988859 132085216 /nfs/dbraw/zinc/08/52/16/132085216.db2.gz PUQZEQOERXSJKF-KSSFIOAISA-N 0 3 314.385 3.678 20 5 DHBDHN C[C@@H](NCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000557254367 331778671 /nfs/dbraw/zinc/77/86/71/331778671.db2.gz BFQNGCVZORYQCI-GFCCVEGCSA-N 0 3 320.776 3.978 20 5 DHBDHN CC[C@H](NCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090224702 331822505 /nfs/dbraw/zinc/82/25/05/331822505.db2.gz GYPPFDGNQIBUTD-KRWDZBQOSA-N 0 3 300.358 3.844 20 5 DHBDHN CC(C)c1ccc(CNCCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000518763444 333007017 /nfs/dbraw/zinc/00/70/17/333007017.db2.gz LJPDSAPKHZKGCG-OAHLLOKOSA-N 0 3 319.449 3.682 20 5 DHBDHN CO[C@@](C)(CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815416 333118724 /nfs/dbraw/zinc/11/87/24/333118724.db2.gz CZMNCOMDTGMOTB-WMZOPIPTSA-N 0 3 318.417 3.722 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000582132217 333152550 /nfs/dbraw/zinc/15/25/50/333152550.db2.gz FBEUMJFXZXEQSH-SCTDSRPQSA-N 0 3 324.380 3.702 20 5 DHBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000531213771 333335277 /nfs/dbraw/zinc/33/52/77/333335277.db2.gz PUQLCGYUUGNVOZ-VBHSOAQHSA-N 0 3 312.369 3.638 20 5 DHBDHN C[C@H](NC[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662385 333384504 /nfs/dbraw/zinc/38/45/04/333384504.db2.gz WCYCIJGQORXQLS-SUMWQHHRSA-N 0 3 306.406 3.577 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H](C)S[C@@H](C)C1 ZINC000526063206 333390263 /nfs/dbraw/zinc/39/02/63/333390263.db2.gz QDAXVEIQMDNKKN-OBFMZJQYSA-N 0 3 306.431 3.824 20 5 DHBDHN Cc1c2ccccc2n(C)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000391426400 333497623 /nfs/dbraw/zinc/49/76/23/333497623.db2.gz XMEZWFYTYBVQMB-UHFFFAOYSA-N 0 3 309.369 3.685 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000098124418 333507900 /nfs/dbraw/zinc/50/79/00/333507900.db2.gz LUIKHHBOOAJHJE-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN CC[C@H](CC(F)(F)F)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419813 333603183 /nfs/dbraw/zinc/60/31/83/333603183.db2.gz ZIECWGFHGNGDBG-SKDRFNHKSA-N 0 3 302.296 3.903 20 5 DHBDHN COc1cccc2c1CC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549162 333622579 /nfs/dbraw/zinc/62/25/79/333622579.db2.gz OZTGZQQFAXBXFB-SJORKVTESA-N 0 3 324.380 3.868 20 5 DHBDHN CO[C@@](C)([C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234315 333927772 /nfs/dbraw/zinc/92/77/72/333927772.db2.gz IYFKXLDAYTZKBL-XNJGSVPQSA-N 0 3 306.406 3.757 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414343329 333942859 /nfs/dbraw/zinc/94/28/59/333942859.db2.gz JPXCVEFLUSOHHB-IACUBPJLSA-N 0 3 316.357 3.793 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN(C)c1ccccc1 ZINC000303317513 334316583 /nfs/dbraw/zinc/31/65/83/334316583.db2.gz SNLJLTVFUZRKPU-OAHLLOKOSA-N 0 3 313.401 3.724 20 5 DHBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000344382713 335248701 /nfs/dbraw/zinc/24/87/01/335248701.db2.gz AZXZYAIJZVYTHN-SJKOYZFVSA-N 0 3 316.357 3.512 20 5 DHBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000344703300 335274003 /nfs/dbraw/zinc/27/40/03/335274003.db2.gz VIVMDGASRCKDOI-GDLVEWKHSA-N 0 3 318.398 3.699 20 5 DHBDHN CC[C@H](NCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000346801014 335437255 /nfs/dbraw/zinc/43/72/55/335437255.db2.gz ZZJNQZJRJVPKSJ-INIZCTEOSA-N 0 3 324.384 3.685 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)c1ccc(F)cc1 ZINC000527355309 335837965 /nfs/dbraw/zinc/83/79/65/335837965.db2.gz JSTNHXUBSJCXGY-GFCCVEGCSA-N 0 3 318.348 3.636 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@](C)(O)C1CCCCC1 ZINC000520303616 335960552 /nfs/dbraw/zinc/96/05/52/335960552.db2.gz JZFPPBBNRWVTKZ-KBXCAEBGSA-N 0 3 320.433 3.885 20 5 DHBDHN COCC[C@H]1CCCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341293 336169194 /nfs/dbraw/zinc/16/91/94/336169194.db2.gz QWOFVUCYDRVDDJ-HUUCEWRRSA-N 0 3 306.406 3.794 20 5 DHBDHN CCS[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426756 336217944 /nfs/dbraw/zinc/21/79/44/336217944.db2.gz XUDCUIJUVGKGOA-CQSZACIVSA-N 0 3 324.446 3.711 20 5 DHBDHN O=[N+]([O-])c1ccc(N2CCCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000301214087 336295322 /nfs/dbraw/zinc/29/53/22/336295322.db2.gz YVGUXIRASBJDJO-AWEZNQCLSA-N 0 3 323.824 3.703 20 5 DHBDHN Cc1n[nH]cc1C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000375336858 337008339 /nfs/dbraw/zinc/00/83/39/337008339.db2.gz PQGJVKLLIYIDPZ-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN CC(C)c1ccc(CN2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000376820098 337041967 /nfs/dbraw/zinc/04/19/67/337041967.db2.gz YHDCUCYRRIDZLY-UHFFFAOYSA-N 0 3 318.417 3.721 20 5 DHBDHN CCOc1ccc([C@@H](C)NCC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000193805142 337080221 /nfs/dbraw/zinc/08/02/21/337080221.db2.gz CEMSLSDZLFHZLM-GFCCVEGCSA-N 0 3 324.446 3.930 20 5 DHBDHN CC[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705179 337177387 /nfs/dbraw/zinc/17/73/87/337177387.db2.gz DPBIUDBRMVWTHC-SWLSCSKDSA-N 0 3 322.405 3.756 20 5 DHBDHN Cc1c(CN2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186710082 337258950 /nfs/dbraw/zinc/25/89/50/337258950.db2.gz POGINXRTURDBEJ-IBGZPJMESA-N 0 3 324.380 3.535 20 5 DHBDHN CC[C@H](C)[C@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000249747620 337571349 /nfs/dbraw/zinc/57/13/49/337571349.db2.gz NSCICNJVHHVXMU-SDDRHHMPSA-N 0 3 318.377 3.730 20 5 DHBDHN CC[C@@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000537291553 337928477 /nfs/dbraw/zinc/92/84/77/337928477.db2.gz QHJLXYBCXZSIPJ-CYBMUJFWSA-N 0 3 318.377 3.559 20 5 DHBDHN CCc1cnccc1[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389260 337987649 /nfs/dbraw/zinc/98/76/49/337987649.db2.gz SQDCPMVXYBDZQB-SJKOYZFVSA-N 0 3 311.385 3.890 20 5 DHBDHN CC(C)(NCCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429225544 338073867 /nfs/dbraw/zinc/07/38/67/338073867.db2.gz GPHNCXULUUAHPY-UHFFFAOYSA-N 0 3 314.385 3.889 20 5 DHBDHN CC(C)(NCCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000429229880 338073921 /nfs/dbraw/zinc/07/39/21/338073921.db2.gz JGSCDBPYTIVJJL-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN COc1ccc(CN2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000438354305 338340793 /nfs/dbraw/zinc/34/07/93/338340793.db2.gz LTAKCUFVKGSIQB-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN O=[N+]([O-])c1cc(CNC2CCc3ccccc3CC2)cs1 ZINC000449593702 338640278 /nfs/dbraw/zinc/64/02/78/338640278.db2.gz PJDVESSMHUVIHD-UHFFFAOYSA-N 0 3 302.399 3.694 20 5 DHBDHN CN1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000449647224 338644122 /nfs/dbraw/zinc/64/41/22/338644122.db2.gz DCJAEZGSASVZMF-QGZVFWFLSA-N 0 3 311.385 3.656 20 5 DHBDHN CCC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000459753298 339046317 /nfs/dbraw/zinc/04/63/17/339046317.db2.gz LXSTWJRIWZWAKH-MRXNPFEDSA-N 0 3 320.389 3.520 20 5 DHBDHN C[C@@H](CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459785319 339048433 /nfs/dbraw/zinc/04/84/33/339048433.db2.gz ARKWXSHHWSNXTI-STQMWFEESA-N 0 3 322.405 3.565 20 5 DHBDHN CCC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000459788757 339048545 /nfs/dbraw/zinc/04/85/45/339048545.db2.gz FOHVYTIDTQFRTH-CYBMUJFWSA-N 0 3 303.362 3.794 20 5 DHBDHN COc1cc(CN(C)CC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000463479197 339119278 /nfs/dbraw/zinc/11/92/78/339119278.db2.gz PZBYKGSYMCRTBL-UHFFFAOYSA-N 0 3 310.369 3.755 20 5 DHBDHN CSc1ccccc1CN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000470992809 339333895 /nfs/dbraw/zinc/33/38/95/339333895.db2.gz AQPRFFANKCMVNY-UHFFFAOYSA-N 0 3 316.426 3.991 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2ccc(F)cc2Cl)cc1 ZINC000500894726 340069456 /nfs/dbraw/zinc/06/94/56/340069456.db2.gz VKEZIWZRRPDMFT-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN CCOc1ccc([C@H](C)NCCCSCC)cc1[N+](=O)[O-] ZINC000502574491 340108158 /nfs/dbraw/zinc/10/81/58/340108158.db2.gz JYQOFODLXKEORD-LBPRGKRZSA-N 0 3 312.435 3.787 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000503684132 340133486 /nfs/dbraw/zinc/13/34/86/340133486.db2.gz HRMWTSLMHGYEPA-AWEZNQCLSA-N 0 3 300.333 3.723 20 5 DHBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccco1 ZINC000504927647 340156457 /nfs/dbraw/zinc/15/64/57/340156457.db2.gz RZVGCAYCUDTAKX-GFCCVEGCSA-N 0 3 306.387 3.848 20 5 DHBDHN CCN(CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506465309 340195016 /nfs/dbraw/zinc/19/50/16/340195016.db2.gz HOFQTPFHZDNJBO-UHFFFAOYSA-N 0 3 320.414 3.792 20 5 DHBDHN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000507208014 340213371 /nfs/dbraw/zinc/21/33/71/340213371.db2.gz FNNYEGCACLXFNG-VXGBXAGGSA-N 0 3 310.357 3.883 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCOc1ccccc1 ZINC000302750307 340281341 /nfs/dbraw/zinc/28/13/41/340281341.db2.gz VWVAVNJOIQXUKG-AWEZNQCLSA-N 0 3 300.358 3.667 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H]1CCCF ZINC000510735905 340308825 /nfs/dbraw/zinc/30/88/25/340308825.db2.gz MIVUIFGYQGHXCC-DOMZBBRYSA-N 0 3 310.369 3.611 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000512697629 340373499 /nfs/dbraw/zinc/37/34/99/340373499.db2.gz CYSJWHUVBJRSJZ-HOCLYGCPSA-N 0 3 311.385 3.842 20 5 DHBDHN C[C@@H](NCC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027907 340389361 /nfs/dbraw/zinc/38/93/61/340389361.db2.gz QTECEUJXHHYLMR-RYWCDNDXSA-N 0 3 322.368 3.835 20 5 DHBDHN Cc1ccc([C@H](C)NCC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000123441326 340780659 /nfs/dbraw/zinc/78/06/59/340780659.db2.gz ZNTNBODJJMYDCW-AWEZNQCLSA-N 0 3 306.406 3.639 20 5 DHBDHN O=[N+]([O-])c1cccc(CCN[C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000537953570 340793114 /nfs/dbraw/zinc/79/31/14/340793114.db2.gz YRCXNPDRUCXAKX-MRXNPFEDSA-N 0 3 318.323 3.693 20 5 DHBDHN Cc1ccc(OCCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540176849 340920813 /nfs/dbraw/zinc/92/08/13/340920813.db2.gz TVJJWORUCUXRLM-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN C[C@@H](Cc1ccsc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000543096349 341031668 /nfs/dbraw/zinc/03/16/68/341031668.db2.gz XEZCWDYZGZNEKT-LBPRGKRZSA-N 0 3 302.399 3.646 20 5 DHBDHN C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628871 341051972 /nfs/dbraw/zinc/05/19/72/341051972.db2.gz YBBFWSQHMGUBLI-WOSRLPQWSA-N 0 3 315.373 3.645 20 5 DHBDHN C[C@H](NCCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000544373372 341078849 /nfs/dbraw/zinc/07/88/49/341078849.db2.gz DIPHAPQOVNLKLI-ZDUSSCGKSA-N 0 3 317.364 3.887 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000135175817 341232791 /nfs/dbraw/zinc/23/27/91/341232791.db2.gz VXDSNKWFIIPHOE-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508512 341265040 /nfs/dbraw/zinc/26/50/40/341265040.db2.gz JIPODKRWNVFSGX-WQGACYEGSA-N 0 3 314.389 3.624 20 5 DHBDHN CCOCC(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000549860638 341305326 /nfs/dbraw/zinc/30/53/26/341305326.db2.gz JQYSDLPUQUNTPD-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN CC[C@@H](N[C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000336890495 341721899 /nfs/dbraw/zinc/72/18/99/341721899.db2.gz HJMSTFNOEVCCFN-NVXWUHKLSA-N 0 3 312.369 3.639 20 5 DHBDHN COc1ccc(CNC2(c3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000237345911 524068721 /nfs/dbraw/zinc/06/87/21/524068721.db2.gz NKPWIISFHRBGGB-UHFFFAOYSA-N 0 3 312.369 3.772 20 5 DHBDHN Cc1ccccc1[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214923 525377322 /nfs/dbraw/zinc/37/73/22/525377322.db2.gz ARKHNLDACXOUFJ-KDOFPFPSSA-N 0 3 314.385 3.596 20 5 DHBDHN Cc1ccccc1[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214734 525378531 /nfs/dbraw/zinc/37/85/31/525378531.db2.gz ARKHNLDACXOUFJ-KSSFIOAISA-N 0 3 314.385 3.596 20 5 DHBDHN Cc1ccccc1[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214652 525431156 /nfs/dbraw/zinc/43/11/56/525431156.db2.gz ARKHNLDACXOUFJ-KBXCAEBGSA-N 0 3 314.385 3.596 20 5 DHBDHN C[C@@H](NC[C@@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753841 525476891 /nfs/dbraw/zinc/47/68/91/525476891.db2.gz DDYSXYZQQVLWED-BDJLRTHQSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1nc2c(s1)CCC[C@@H]2CNCc1csc([N+](=O)[O-])c1 ZINC000366402766 527103849 /nfs/dbraw/zinc/10/38/49/527103849.db2.gz KFKDZFNPJPFHEA-LLVKDONJSA-N 0 3 323.443 3.631 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CO)CC1CCCC1)CCC2 ZINC000338026745 527379870 /nfs/dbraw/zinc/37/98/70/527379870.db2.gz KNLANBVPQVVRJA-CRAIPNDOSA-N 0 3 318.417 3.503 20 5 DHBDHN CC(C)(NCC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000298091290 535248920 /nfs/dbraw/zinc/24/89/20/535248920.db2.gz IFLANRYOIYXYOS-KRWDZBQOSA-N 0 3 314.385 3.543 20 5 DHBDHN CC(C)CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000517839232 1013084869 /nfs/dbraw/zinc/08/48/69/1013084869.db2.gz PJFILNCDEOSHGD-UHFFFAOYSA-N 0 3 308.422 3.868 20 5 DHBDHN Cc1cc2cc3cc(C)c(NC4=CCOC4)cc3nc2cc1N ZINC001203398072 1014241324 /nfs/dbraw/zinc/24/13/24/1014241324.db2.gz ROPOWORISOFTIR-UHFFFAOYSA-N 0 3 305.381 3.913 20 5 DHBDHN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380360 1014752335 /nfs/dbraw/zinc/75/23/35/1014752335.db2.gz RJOXTDGARLKCOB-DIFFPNOSSA-N 0 3 322.368 3.809 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)N2CCCC2)s1 ZINC000610514235 1015053520 /nfs/dbraw/zinc/05/35/20/1015053520.db2.gz ZXPLIZIWVWRDDD-LLVKDONJSA-N 0 3 323.443 3.967 20 5 DHBDHN CC(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000474208600 1015185209 /nfs/dbraw/zinc/18/52/09/1015185209.db2.gz OOZKNHPLWYUHMX-UHFFFAOYSA-N 0 3 321.421 3.537 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@H]1CCCC12CCOCC2 ZINC000337447500 1015256991 /nfs/dbraw/zinc/25/69/91/1015256991.db2.gz RAZKERHUDVFEFT-HNNXBMFYSA-N 0 3 324.808 3.687 20 5 DHBDHN Cc1cc(NCCOC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000308529958 1015474240 /nfs/dbraw/zinc/47/42/40/1015474240.db2.gz OILWBXVOTZPHDJ-UHFFFAOYSA-N 0 3 303.362 3.678 20 5 DHBDHN Cc1c(CNCc2ccnc3ccccc23)cccc1[N+](=O)[O-] ZINC000323485490 1015627334 /nfs/dbraw/zinc/62/73/34/1015627334.db2.gz LGXKMRPXCLNPKY-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276987950 1015838741 /nfs/dbraw/zinc/83/87/41/1015838741.db2.gz ZPFAQDWAEVAVAO-ZDUSSCGKSA-N 0 3 300.358 3.844 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1C[C@H]1C(F)(F)F ZINC000601160312 1016709879 /nfs/dbraw/zinc/70/98/79/1016709879.db2.gz UASYDQUGAXPYHI-UDHZEARHSA-N 0 3 300.280 3.539 20 5 DHBDHN CN(CCCOc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000479552608 1016996813 /nfs/dbraw/zinc/99/68/13/1016996813.db2.gz CHMAOUDDZNGSPT-UHFFFAOYSA-N 0 3 318.348 3.635 20 5 DHBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000123187231 1032638645 /nfs/dbraw/zinc/63/86/45/1032638645.db2.gz CXEWDRRBHDJKHJ-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000342833978 1017533408 /nfs/dbraw/zinc/53/34/08/1017533408.db2.gz DKNLQVHWUFJVRE-GOSISDBHSA-N 0 3 318.417 3.721 20 5 DHBDHN COc1cc(CN2CCCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000445855836 1017990841 /nfs/dbraw/zinc/99/08/41/1017990841.db2.gz OKMPWSIVLLRQAQ-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN COc1cc(CN(C2CC2)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000184211728 1018068590 /nfs/dbraw/zinc/06/85/90/1018068590.db2.gz OPYQRCVZHXYJLZ-UHFFFAOYSA-N 0 3 308.353 3.650 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCc2ccc3ccccc3n2)cs1 ZINC000340444074 1018610629 /nfs/dbraw/zinc/61/06/29/1018610629.db2.gz IUDFCHMEWIRRCW-UHFFFAOYSA-N 0 3 313.382 3.537 20 5 DHBDHN COc1ccc2c(c1)nccc2NCc1cccc([N+](=O)[O-])c1 ZINC000765480320 1018803443 /nfs/dbraw/zinc/80/34/43/1018803443.db2.gz LSWXRIAAXQHWEB-UHFFFAOYSA-N 0 3 309.325 3.764 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370283 1019455938 /nfs/dbraw/zinc/45/59/38/1019455938.db2.gz FOWLEMNOTJNMAG-OCCSQVGLSA-N 0 3 317.414 3.904 20 5 DHBDHN CSCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128205885 1019466017 /nfs/dbraw/zinc/46/60/17/1019466017.db2.gz FTVFZTGSKGLRSW-UHFFFAOYSA-N 0 3 306.387 3.650 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411628 1019477474 /nfs/dbraw/zinc/47/74/74/1019477474.db2.gz GKXMLSGOKYZQPM-GXTWGEPZSA-N 0 3 317.414 3.904 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000079121381 1019676454 /nfs/dbraw/zinc/67/64/54/1019676454.db2.gz ITNSCZLHVKAAJV-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@H](CN(C)Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000727436968 1019705647 /nfs/dbraw/zinc/70/56/47/1019705647.db2.gz ASEOBUIFMAKDCJ-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN CC(C)(COCc1ccccc1)NCc1ccccc1[N+](=O)[O-] ZINC000389956841 1020163654 /nfs/dbraw/zinc/16/36/54/1020163654.db2.gz HHYJMBBTFIPSHD-UHFFFAOYSA-N 0 3 314.385 3.680 20 5 DHBDHN C[C@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000235575124 1020531633 /nfs/dbraw/zinc/53/16/33/1020531633.db2.gz USDWTVYKWGBKQE-GXSJLCMTSA-N 0 3 313.195 3.636 20 5 DHBDHN CC(COC(=O)c1sc2cccc(F)c2c1Cl)[N+](=O)[O-] ZINC000893047492 1021836461 /nfs/dbraw/zinc/83/64/61/1021836461.db2.gz LYKISIIILDEWDG-ZCFIWIBFSA-N 0 3 317.725 3.516 20 5 DHBDHN Cc1nn(CN(CCC(C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000746064208 1021844368 /nfs/dbraw/zinc/84/43/68/1021844368.db2.gz IJJZDBQNWNVZGH-UHFFFAOYSA-N 0 3 308.426 3.656 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001169038488 1022222740 /nfs/dbraw/zinc/22/27/40/1022222740.db2.gz ZDQDLMOLRKYMBW-KFNAQCHYSA-N 0 3 310.344 3.547 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001169048374 1022228519 /nfs/dbraw/zinc/22/85/19/1022228519.db2.gz UZJIYWJFTTUSLJ-AXAPSJFSSA-N 0 3 310.344 3.547 20 5 DHBDHN CC(C)N(CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350419 1022279641 /nfs/dbraw/zinc/27/96/41/1022279641.db2.gz JOJQSJGFJSFHON-UHFFFAOYSA-N 0 3 314.385 3.884 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000609505561 1022296527 /nfs/dbraw/zinc/29/65/27/1022296527.db2.gz MDDMCIQDZYZDKW-NSHDSACASA-N 0 3 309.391 3.744 20 5 DHBDHN CC[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000616487715 1022734613 /nfs/dbraw/zinc/73/46/13/1022734613.db2.gz NJLFJZNYECLHHV-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN CCOc1cc(CN2CC[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000617201096 1022888288 /nfs/dbraw/zinc/88/82/88/1022888288.db2.gz FJAYOZXIIDBFDP-AWEZNQCLSA-N 0 3 316.357 3.576 20 5 DHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1F ZINC000769029615 1023070064 /nfs/dbraw/zinc/07/00/64/1023070064.db2.gz LYDHWJSDCPBUGK-TWGQIWQCSA-N 0 3 314.360 3.922 20 5 DHBDHN CCOCCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290775057 1023216908 /nfs/dbraw/zinc/21/69/08/1023216908.db2.gz BPMDWLGMNZALFF-UHFFFAOYSA-N 0 3 321.204 3.808 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OCC2CC2)CC1 ZINC000876771841 1033141745 /nfs/dbraw/zinc/14/17/45/1033141745.db2.gz ALBWBFWWKYHRSB-UHFFFAOYSA-N 0 3 318.417 3.603 20 5 DHBDHN C[C@@H](NCc1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500241 1023894921 /nfs/dbraw/zinc/89/49/21/1023894921.db2.gz ZOUQMAFVWFMLOV-SNVBAGLBSA-N 0 3 305.765 3.681 20 5 DHBDHN CC(C)[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788534637 1023907844 /nfs/dbraw/zinc/90/78/44/1023907844.db2.gz HMGTUTMKFZWOFC-HZPDHXFCSA-N 0 3 320.414 3.504 20 5 DHBDHN Cc1cc(C)c(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000788571165 1023908940 /nfs/dbraw/zinc/90/89/40/1023908940.db2.gz JTAWXJDBRHSZFW-AWEZNQCLSA-N 0 3 313.401 3.953 20 5 DHBDHN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640592 1023917576 /nfs/dbraw/zinc/91/75/76/1023917576.db2.gz SULRRRGTSJQFRG-SJCJKPOMSA-N 0 3 311.385 3.824 20 5 DHBDHN C[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000893569057 1024124109 /nfs/dbraw/zinc/12/41/09/1024124109.db2.gz MACXEPVLXKNDTL-VIFPVBQESA-N 0 3 311.794 3.598 20 5 DHBDHN COc1ccc(CNC/C(C)=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000520214679 1024262665 /nfs/dbraw/zinc/26/26/65/1024262665.db2.gz RYKVCMGXZGBZLI-UVTDQMKNSA-N 0 3 312.369 3.797 20 5 DHBDHN CC(C)[C@@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270582653 1024405776 /nfs/dbraw/zinc/40/57/76/1024405776.db2.gz IXJKMSAMGJPZNS-GFCCVEGCSA-N 0 3 303.362 3.726 20 5 DHBDHN CCN(CCc1nccs1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270789640 1024429466 /nfs/dbraw/zinc/42/94/66/1024429466.db2.gz JQULAHDEHRGIKF-LBPRGKRZSA-N 0 3 305.403 3.677 20 5 DHBDHN C[C@H]1CC[C@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628421 1024562239 /nfs/dbraw/zinc/56/22/39/1024562239.db2.gz JIOGYNPGWKRWFA-QWHCGFSZSA-N 0 3 316.357 3.512 20 5 DHBDHN CC[C@@H](C)[C@H](C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868208 1024811711 /nfs/dbraw/zinc/81/17/11/1024811711.db2.gz SDTICLKYVXYNEK-NEPJUHHUSA-N 0 3 321.377 3.902 20 5 DHBDHN Cc1ccc(C(C)(C)NC/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000353164264 1024976486 /nfs/dbraw/zinc/97/64/86/1024976486.db2.gz FBDROYQIIUETBK-SOFGYWHQSA-N 0 3 311.385 3.836 20 5 DHBDHN CC[C@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000353703791 1025207428 /nfs/dbraw/zinc/20/74/28/1025207428.db2.gz AWFQEDRGVYRWRM-ZDUSSCGKSA-N 0 3 322.405 3.624 20 5 DHBDHN CCCCO[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236866511 1025316386 /nfs/dbraw/zinc/31/63/86/1025316386.db2.gz ORBQDBPNWSNFIF-STQMWFEESA-N 0 3 312.435 3.730 20 5 DHBDHN CCCC1CCC(N(Cc2c([N+](=O)[O-])ncn2C)C(C)C)CC1 ZINC000356836499 1026188269 /nfs/dbraw/zinc/18/82/69/1026188269.db2.gz JFCFYSLQHDFBTG-UHFFFAOYSA-N 0 3 322.453 3.898 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2ccncc2)CC1 ZINC000289849278 1026197472 /nfs/dbraw/zinc/19/74/72/1026197472.db2.gz PWKNMXCAJSWTSJ-HWKANZROSA-N 0 3 323.396 3.883 20 5 DHBDHN CCCN(Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000513446854 1026510019 /nfs/dbraw/zinc/51/00/19/1026510019.db2.gz JGWNPKJNLYGZIY-INIZCTEOSA-N 0 3 306.406 3.684 20 5 DHBDHN CCS[C@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385007 1027174753 /nfs/dbraw/zinc/17/47/53/1027174753.db2.gz QBJWFJJNCJYKLM-HIFRSBDPSA-N 0 3 324.446 3.709 20 5 DHBDHN CO[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976625 1027507069 /nfs/dbraw/zinc/50/70/69/1027507069.db2.gz KTZUACCISLNTRM-CJNGLKHVSA-N 0 3 306.406 3.711 20 5 DHBDHN CC(COC(=O)C1(Cc2cccc(F)c2)CCCCC1)[N+](=O)[O-] ZINC000813099827 1027519118 /nfs/dbraw/zinc/51/91/18/1027519118.db2.gz DVJPCRDCVNWIOU-ZDUSSCGKSA-N 0 3 323.364 3.527 20 5 DHBDHN CC(C)=CCSc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813115032 1027534619 /nfs/dbraw/zinc/53/46/19/1027534619.db2.gz JILOQDBBRMTLGG-GFCCVEGCSA-N 0 3 309.387 3.567 20 5 DHBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])sc1-c1ccc(F)cc1 ZINC000813114594 1027535904 /nfs/dbraw/zinc/53/59/04/1027535904.db2.gz DIWBZDNLPPIAGT-SNVBAGLBSA-N 0 3 323.345 3.685 20 5 DHBDHN COc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478864 1027622033 /nfs/dbraw/zinc/62/20/33/1027622033.db2.gz FORAIHWOHJQSOL-SJKOYZFVSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1c(CN2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000363446990 1027638554 /nfs/dbraw/zinc/63/85/54/1027638554.db2.gz RMHAFHYCNVMKKV-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN CCc1nocc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449503845 1028723566 /nfs/dbraw/zinc/72/35/66/1028723566.db2.gz UXDFRUONKLHGEU-AWEZNQCLSA-N 0 3 315.373 3.525 20 5 DHBDHN O=[N+]([O-])c1cc(CNC2(Cc3ccc(F)cc3)CC2)cs1 ZINC000449564691 1028804856 /nfs/dbraw/zinc/80/48/56/1028804856.db2.gz GINWVFYQRUBDLI-UHFFFAOYSA-N 0 3 306.362 3.660 20 5 DHBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000042096654 1028889766 /nfs/dbraw/zinc/88/97/66/1028889766.db2.gz JFMPFETXCWKPCS-CYBMUJFWSA-N 0 3 309.366 3.510 20 5 DHBDHN Cc1ccc(CN2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449733547 1028950724 /nfs/dbraw/zinc/95/07/24/1028950724.db2.gz PAZCCYOXVCWOOU-INIZCTEOSA-N 0 3 306.431 3.622 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686215 1029613140 /nfs/dbraw/zinc/61/31/40/1029613140.db2.gz MSHBWYSZYGXNLV-GOEBONIOSA-N 0 3 314.385 3.503 20 5 DHBDHN Cc1csc([C@@H](C)N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256783 1030181815 /nfs/dbraw/zinc/18/18/15/1030181815.db2.gz POQRJFFLLOIHRP-MWLCHTKSSA-N 0 3 323.393 3.781 20 5 DHBDHN CC(C)c1cc(CN[C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866267666 1030189656 /nfs/dbraw/zinc/18/96/56/1030189656.db2.gz PSSPELQXEJAZNO-NSHDSACASA-N 0 3 321.352 3.566 20 5 DHBDHN Cc1noc(C)c1[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267035 1030190193 /nfs/dbraw/zinc/19/01/93/1030190193.db2.gz YPSIRSXLIMMHRL-ZJUUUORDSA-N 0 3 321.352 3.621 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695952 1030251649 /nfs/dbraw/zinc/25/16/49/1030251649.db2.gz WZLDYXAPDXJPCO-WCQYABFASA-N 0 3 321.352 3.868 20 5 DHBDHN C[C@H](NC[C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926946346 1031010400 /nfs/dbraw/zinc/01/04/00/1031010400.db2.gz TUTOJNDWMBWNRY-XHNCKOQMSA-N 0 3 306.259 3.583 20 5 DHBDHN CCC[C@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021268 1031038113 /nfs/dbraw/zinc/03/81/13/1031038113.db2.gz MLNBNSKWWKEWEU-YPMHNXCESA-N 0 3 312.435 3.518 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCCCO1 ZINC000872027824 1031412592 /nfs/dbraw/zinc/41/25/92/1031412592.db2.gz MHCRYLNPBKGVKA-WCQYABFASA-N 0 3 310.419 3.536 20 5 DHBDHN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000872041053 1031426327 /nfs/dbraw/zinc/42/63/27/1031426327.db2.gz PGSAFVYANADFJW-NEPJUHHUSA-N 0 3 303.337 3.583 20 5 DHBDHN CCC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872042031 1031428218 /nfs/dbraw/zinc/42/82/18/1031428218.db2.gz YWCRUELEFWZBSB-LBPRGKRZSA-N 0 3 310.369 3.591 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(CCCc1ccncc1)C1CC1 ZINC000360471740 1031438628 /nfs/dbraw/zinc/43/86/28/1031438628.db2.gz CFPXCWNCUAGYQW-UHFFFAOYSA-N 0 3 311.385 3.587 20 5 DHBDHN C[C@@H](N[C@@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068958 1031465185 /nfs/dbraw/zinc/46/51/85/1031465185.db2.gz KDRIQJDWXIBPTA-IUODEOHRSA-N 0 3 322.380 3.734 20 5 DHBDHN Cc1cccnc1CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076842 1031472910 /nfs/dbraw/zinc/47/29/10/1031472910.db2.gz UIERIUHHNCVONR-CYBMUJFWSA-N 0 3 317.364 3.721 20 5 DHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)o1 ZINC000845872313 1031747929 /nfs/dbraw/zinc/74/79/29/1031747929.db2.gz GNAVPUUCHAUPRI-ZUZCIYMTSA-N 0 3 321.304 3.599 20 5 DHBDHN CC([C@@H](OC(=O)CCC(C)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845872975 1031748593 /nfs/dbraw/zinc/74/85/93/1031748593.db2.gz AMFOPESILWTULJ-NOZJJQNGSA-N 0 3 319.279 3.511 20 5 DHBDHN CC([C@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000845880686 1031752574 /nfs/dbraw/zinc/75/25/74/1031752574.db2.gz XUOFDVASTRUMLB-SEQRPAEDSA-N 0 3 321.348 3.511 20 5 DHBDHN CCc1occc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882397 1031753370 /nfs/dbraw/zinc/75/33/70/1031753370.db2.gz OSEPGCMCMADOBF-BONVTDFDSA-N 0 3 321.304 3.544 20 5 DHBDHN CCCCN(CC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955079 1032037562 /nfs/dbraw/zinc/03/75/62/1032037562.db2.gz LBJCTEKPXOKZMT-UHFFFAOYSA-N 0 3 302.378 3.538 20 5 DHBDHN CC[C@@]1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963093 1032057339 /nfs/dbraw/zinc/05/73/39/1032057339.db2.gz GSAIIUGSVOIHLN-KRWDZBQOSA-N 0 3 314.389 3.538 20 5 DHBDHN Cc1csc([C@@H]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000877813024 1033462636 /nfs/dbraw/zinc/46/26/36/1033462636.db2.gz IHHJLORVIUKKDR-CQSZACIVSA-N 0 3 317.414 3.658 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCCC[C@@H]2C)c1F ZINC001173190081 1033584674 /nfs/dbraw/zinc/58/46/74/1033584674.db2.gz QAZOKDWCAKDRLF-QWHCGFSZSA-N 0 3 324.396 3.938 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@H](C)CC23CC3)c1F ZINC001173191699 1033585112 /nfs/dbraw/zinc/58/51/12/1033585112.db2.gz GKMQIBXHCYOWRE-VXGBXAGGSA-N 0 3 322.380 3.548 20 5 DHBDHN CC[C@@H]1CCCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197363 1033590816 /nfs/dbraw/zinc/59/08/16/1033590816.db2.gz UNLUWAYDNLZKMY-CHWSQXEVSA-N 0 3 324.396 3.796 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC001173228379 1033605873 /nfs/dbraw/zinc/60/58/73/1033605873.db2.gz VTXOBXIQDUQEOQ-AAEUAGOBSA-N 0 3 316.323 3.800 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cccc2C1 ZINC001173235720 1033609360 /nfs/dbraw/zinc/60/93/60/1033609360.db2.gz YVKIBSCAQWPSKK-ZDUSSCGKSA-N 0 3 314.360 3.723 20 5 DHBDHN Cc1ccc(CN(C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183253644 1034367367 /nfs/dbraw/zinc/36/73/67/1034367367.db2.gz QYAXOJMZDVLTSQ-LBPRGKRZSA-N 0 3 305.403 3.595 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000555720958 1034875601 /nfs/dbraw/zinc/87/56/01/1034875601.db2.gz BLMYKAZIUQMOAA-HUUCEWRRSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001180646802 1035736754 /nfs/dbraw/zinc/73/67/54/1035736754.db2.gz REARLIPYBOWJEU-GFCCVEGCSA-N 0 3 311.341 3.629 20 5 DHBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@@H]1OC ZINC001194093281 1035845175 /nfs/dbraw/zinc/84/51/75/1035845175.db2.gz UDSRESFVIYQPKY-LYRGGWFBSA-N 0 3 324.396 3.663 20 5 DHBDHN CCCCO[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193311 1035872304 /nfs/dbraw/zinc/87/23/04/1035872304.db2.gz SMYRPZIGKZKIOO-HOTGVXAUSA-N 0 3 306.406 3.668 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)C2(CCCCC2)C1 ZINC001194477546 1035944213 /nfs/dbraw/zinc/94/42/13/1035944213.db2.gz MDVZRVLGAHAWGA-OAHLLOKOSA-N 0 3 317.433 3.606 20 5 DHBDHN CC(C)C1(NCc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001194561392 1035961514 /nfs/dbraw/zinc/96/15/14/1035961514.db2.gz CWNDNQFAGOAUIY-UHFFFAOYSA-N 0 3 313.195 3.636 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H](C)C[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000443774519 1036582117 /nfs/dbraw/zinc/58/21/17/1036582117.db2.gz AHNMELZSDZIONO-KEYYUXOJSA-N 0 3 320.433 3.700 20 5 DHBDHN C[C@@H](N(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1(C)CC1 ZINC000774638221 1036617400 /nfs/dbraw/zinc/61/74/00/1036617400.db2.gz QNIFRRIZSGKERI-SNVBAGLBSA-N 0 3 322.796 3.676 20 5 DHBDHN C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252477 1036986736 /nfs/dbraw/zinc/98/67/36/1036986736.db2.gz VOUHIHLMZRSOHC-MAQMMGONSA-N 0 3 304.365 3.602 20 5 DHBDHN CCC(CC)CN(CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488509806 1037053332 /nfs/dbraw/zinc/05/33/32/1037053332.db2.gz BBOQXYORJAELMI-ZDUSSCGKSA-N 0 3 321.421 3.680 20 5 DHBDHN COc1cc(CNC(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489126525 1037269172 /nfs/dbraw/zinc/26/91/72/1037269172.db2.gz CFLLUWFLWWOYRI-UHFFFAOYSA-N 0 3 300.358 3.628 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000193902061 1037306822 /nfs/dbraw/zinc/30/68/22/1037306822.db2.gz IWQHTUBIJORAFM-OLZOCXBDSA-N 0 3 312.369 3.942 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186405362 1037389393 /nfs/dbraw/zinc/38/93/93/1037389393.db2.gz KACVZGOSHUGNAP-ZYHUDNBSSA-N 0 3 309.391 3.791 20 5 DHBDHN C[C@@H](NCc1ccc2cnccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000324251584 1037922986 /nfs/dbraw/zinc/92/29/86/1037922986.db2.gz HXHWOLAJJYFUBX-CYBMUJFWSA-N 0 3 307.353 3.994 20 5 DHBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000917040884 1038124465 /nfs/dbraw/zinc/12/44/65/1038124465.db2.gz WJTHIFYHYLLKPJ-CQSZACIVSA-N 0 3 312.369 3.593 20 5 DHBDHN CCN(CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917059912 1038145033 /nfs/dbraw/zinc/14/50/33/1038145033.db2.gz RIZLHPHBXFBIDY-UHFFFAOYSA-N 0 3 302.349 3.799 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199936 1038449031 /nfs/dbraw/zinc/44/90/31/1038449031.db2.gz NPLXEGQBYGPFOE-NVXWUHKLSA-N 0 3 318.417 3.542 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199940 1038449936 /nfs/dbraw/zinc/44/99/36/1038449936.db2.gz NPLXEGQBYGPFOE-WBVHZDCISA-N 0 3 318.417 3.542 20 5 DHBDHN Cc1nc(C)c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000590757626 1038699511 /nfs/dbraw/zinc/69/95/11/1038699511.db2.gz RZMHAUGXXYHSBQ-HNNXBMFYSA-N 0 3 315.373 3.579 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550221 1038704051 /nfs/dbraw/zinc/70/40/51/1038704051.db2.gz VYTHDEJSCZTCRU-GXSJLCMTSA-N 0 3 303.189 3.748 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN(C1CC1)C1CCCCC1 ZINC000061162653 1039057904 /nfs/dbraw/zinc/05/79/04/1039057904.db2.gz VFTORXWGAWSTKI-UHFFFAOYSA-N 0 3 304.390 3.901 20 5 DHBDHN CCN(Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000603854806 1039188184 /nfs/dbraw/zinc/18/81/84/1039188184.db2.gz LKBGHHLDYMQKFU-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN Cc1ccccc1OCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000603869836 1039202629 /nfs/dbraw/zinc/20/26/29/1039202629.db2.gz PLFSIDCHKSWQBX-UHFFFAOYSA-N 0 3 314.385 3.804 20 5 DHBDHN CS[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143986 1039721877 /nfs/dbraw/zinc/72/18/77/1039721877.db2.gz CXRCDNRNXTYDKA-JQWIXIFHSA-N 0 3 300.811 3.622 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCCS1 ZINC000595032581 1040039350 /nfs/dbraw/zinc/03/93/50/1040039350.db2.gz NLYHTVKKTNTOOM-AAEUAGOBSA-N 0 3 310.419 3.540 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)c1nccs1 ZINC000595031490 1040039874 /nfs/dbraw/zinc/03/98/74/1040039874.db2.gz HNDHXQGQIWHGST-QWRGUYRKSA-N 0 3 321.402 3.514 20 5 DHBDHN COCc1csc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000595077055 1040069356 /nfs/dbraw/zinc/06/93/56/1040069356.db2.gz LDEHIRFANXGIHM-GFCCVEGCSA-N 0 3 320.414 3.962 20 5 DHBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329911 1040099272 /nfs/dbraw/zinc/09/92/72/1040099272.db2.gz DOVPNIQCTLYIRM-UONOGXRCSA-N 0 3 312.410 3.840 20 5 DHBDHN C[C@@H](NCc1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000608982497 1040658492 /nfs/dbraw/zinc/65/84/92/1040658492.db2.gz OHSQPDOYNPXEMF-CYBMUJFWSA-N 0 3 307.353 3.994 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCC[C@@H]3CC=CCC3)nc2c1 ZINC000602724654 1041178267 /nfs/dbraw/zinc/17/82/67/1041178267.db2.gz JMCUOXZNMNXFBK-GFCCVEGCSA-N 0 3 301.346 3.572 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC000602857964 1041264848 /nfs/dbraw/zinc/26/48/48/1041264848.db2.gz ZNAXGOMQBLNQQG-PBHICJAKSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1nn(CN(C)[C@@H](C)C(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761279215 1041273615 /nfs/dbraw/zinc/27/36/15/1041273615.db2.gz IHDVEMAVWGVTLA-LBPRGKRZSA-N 0 3 304.394 3.577 20 5 DHBDHN Cc1nc2ccccc2n1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122145410 132161618 /nfs/dbraw/zinc/16/16/18/132161618.db2.gz JNMUDWDYOPJSEH-CYBMUJFWSA-N 0 3 324.384 3.604 20 5 DHBDHN COc1cc(COc2cc(C)nc(C)c2C)ccc1[N+](=O)[O-] ZINC000580094703 332936384 /nfs/dbraw/zinc/93/63/84/332936384.db2.gz SVMKVWNFOPUBRJ-UHFFFAOYSA-N 0 3 302.330 3.503 20 5 DHBDHN CC[C@@H](C)[C@@H](C)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142079872 332150079 /nfs/dbraw/zinc/15/00/79/332150079.db2.gz NSCICNJVHHVXMU-UTUOFQBUSA-N 0 3 318.377 3.730 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@@H]1C ZINC000408201456 332241136 /nfs/dbraw/zinc/24/11/36/332241136.db2.gz FMSRIMIXJGXCSK-KGLIPLIRSA-N 0 3 304.390 3.547 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC12CCCC2 ZINC000559753200 332279270 /nfs/dbraw/zinc/27/92/70/332279270.db2.gz XQNKWOAFBHSSDV-MRXNPFEDSA-N 0 3 304.390 3.806 20 5 DHBDHN CCC[C@@H]1CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842192 332284525 /nfs/dbraw/zinc/28/45/25/332284525.db2.gz RHJZSIRKVDSYNU-OCCSQVGLSA-N 0 3 316.405 3.920 20 5 DHBDHN Cc1cc(NCC(C)(C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302212706 332984203 /nfs/dbraw/zinc/98/42/03/332984203.db2.gz YZXXMRXXDOPVRO-GFCCVEGCSA-N 0 3 317.389 3.660 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110025 333001817 /nfs/dbraw/zinc/00/18/17/333001817.db2.gz UIWSLHYKBLEYKR-CJNGLKHVSA-N 0 3 312.369 3.558 20 5 DHBDHN CCO[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353899 333019849 /nfs/dbraw/zinc/01/98/49/333019849.db2.gz JKIRIOIMSGKBJL-IAGOWNOFSA-N 0 3 318.417 3.731 20 5 DHBDHN C[C@@H](NCCOc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654293 333141983 /nfs/dbraw/zinc/14/19/83/333141983.db2.gz VLWHWTTYTZRIDX-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN COc1ccc(CCCN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000497475971 333254909 /nfs/dbraw/zinc/25/49/09/333254909.db2.gz RGUCBWNUBQHQOX-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN CCOC1(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000319293040 333281163 /nfs/dbraw/zinc/28/11/63/333281163.db2.gz VFMIHKJMXBXTOC-MRXNPFEDSA-N 0 3 306.406 3.985 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000390849810 333399372 /nfs/dbraw/zinc/39/93/72/333399372.db2.gz HXJPMLDBWOHOFB-NSHDSACASA-N 0 3 302.296 3.649 20 5 DHBDHN COc1ccccc1C1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000320157394 333431772 /nfs/dbraw/zinc/43/17/72/333431772.db2.gz AHWNOMIFBQIAIK-UHFFFAOYSA-N 0 3 312.369 3.639 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CCC2(CC2)CC1 ZINC000434772002 333715698 /nfs/dbraw/zinc/71/56/98/333715698.db2.gz BSYFSLNFCXGOIC-UHFFFAOYSA-N 0 3 304.390 3.806 20 5 DHBDHN CC(C)N(Cc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269694026 334003389 /nfs/dbraw/zinc/00/33/89/334003389.db2.gz VYTVYOXMFSVBAK-INIZCTEOSA-N 0 3 320.414 3.600 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cccc2c1CCCN2 ZINC000415041385 334260987 /nfs/dbraw/zinc/26/09/87/334260987.db2.gz TWYFGHDLYSQKTQ-XBXARRHUSA-N 0 3 323.396 3.756 20 5 DHBDHN Cc1nc(CCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531942531 334302220 /nfs/dbraw/zinc/30/22/20/334302220.db2.gz ZBYVSODYYMIZCJ-NSHDSACASA-N 0 3 305.403 3.561 20 5 DHBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000189680520 334905873 /nfs/dbraw/zinc/90/58/73/334905873.db2.gz SJEUJPCDSVQTMH-ZDUSSCGKSA-N 0 3 320.418 3.546 20 5 DHBDHN C[C@H](NCc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000343984204 335205479 /nfs/dbraw/zinc/20/54/79/335205479.db2.gz ULRHTUGPKKHANN-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339231 335242421 /nfs/dbraw/zinc/24/24/21/335242421.db2.gz WGTZJKLPPSBTQU-UHOFOFEASA-N 0 3 304.390 3.593 20 5 DHBDHN COc1ccc(-c2ccc(CNCC3(C)CC3)o2)c([N+](=O)[O-])c1 ZINC000344690711 335266989 /nfs/dbraw/zinc/26/69/89/335266989.db2.gz GEYZADZYYNKECH-UHFFFAOYSA-N 0 3 316.357 3.753 20 5 DHBDHN CC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000344711866 335274778 /nfs/dbraw/zinc/27/47/78/335274778.db2.gz OKDOTPDVZJRZJI-UHFFFAOYSA-N 0 3 303.387 3.608 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCSC2)o1 ZINC000344713249 335275041 /nfs/dbraw/zinc/27/50/41/335275041.db2.gz CBYWDPVEUSYLBK-GFCCVEGCSA-N 0 3 318.398 3.840 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000158913051 338511909 /nfs/dbraw/zinc/51/19/09/338511909.db2.gz GVOSSDYANPBYPT-HNNXBMFYSA-N 0 3 302.761 3.505 20 5 DHBDHN COc1cc(CN[C@@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000445881361 338514215 /nfs/dbraw/zinc/51/42/15/338514215.db2.gz SLRLARWJNIIBAU-NSHDSACASA-N 0 3 320.311 3.670 20 5 DHBDHN Cc1c(CN[C@@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000445889541 338514538 /nfs/dbraw/zinc/51/45/38/338514538.db2.gz GSTVXSXCYVLTNI-LBPRGKRZSA-N 0 3 304.312 3.970 20 5 DHBDHN CC1(C)C[C@@H](N[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025706 336156242 /nfs/dbraw/zinc/15/62/42/336156242.db2.gz RTLNFPZILYPAKO-XHDPSFHLSA-N 0 3 306.431 3.802 20 5 DHBDHN CC1(C)CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332149833 336160555 /nfs/dbraw/zinc/16/05/55/336160555.db2.gz IMCCWCXHPHCRMN-CQSZACIVSA-N 0 3 302.378 3.530 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@]2(CCCOC2)C1 ZINC000352546541 336223842 /nfs/dbraw/zinc/22/38/42/336223842.db2.gz WRBFQRBAVPKMGZ-QAPCUYQASA-N 0 3 318.417 3.857 20 5 DHBDHN O=[N+]([O-])c1ccsc1NC1CCN(Cc2ccccc2)CC1 ZINC000301934702 336338869 /nfs/dbraw/zinc/33/88/69/336338869.db2.gz OLSLIXHJJYOQLP-UHFFFAOYSA-N 0 3 317.414 3.733 20 5 DHBDHN Cc1cccc(NC[C@H](c2cccs2)N(C)C)c1[N+](=O)[O-] ZINC000302518381 336360723 /nfs/dbraw/zinc/36/07/23/336360723.db2.gz WJRBZDAWFJSECD-CYBMUJFWSA-N 0 3 305.403 3.680 20 5 DHBDHN CCC(CC)CN(CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000514120717 336373041 /nfs/dbraw/zinc/37/30/41/336373041.db2.gz MYMZFOYWTVWJAB-UHFFFAOYSA-N 0 3 321.421 3.600 20 5 DHBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCC3(CCCCC3)O2)c1 ZINC000389603074 336874783 /nfs/dbraw/zinc/87/47/83/336874783.db2.gz MJFHMEJQRIQGFI-MRXNPFEDSA-N 0 3 304.390 3.566 20 5 DHBDHN CCOc1ccc([C@H](C)NCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259641 337175537 /nfs/dbraw/zinc/17/55/37/337175537.db2.gz PMBFRDIAGUKFAJ-ZFWWWQNUSA-N 0 3 322.405 3.603 20 5 DHBDHN C[C@@H](N[C@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362785 337714552 /nfs/dbraw/zinc/71/45/52/337714552.db2.gz YEVLDOSUHFRWPW-XIKOKIGWSA-N 0 3 311.385 3.905 20 5 DHBDHN COc1ccc(-c2ccc(CN3[C@H](C)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000527238456 337740043 /nfs/dbraw/zinc/74/00/43/337740043.db2.gz DIWQGKXSTJJHHJ-VXGBXAGGSA-N 0 3 316.357 3.846 20 5 DHBDHN CCC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000428552371 338055945 /nfs/dbraw/zinc/05/59/45/338055945.db2.gz MFWQOVOVCCZFGF-UHFFFAOYSA-N 0 3 302.321 3.722 20 5 DHBDHN COC1(C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000429434588 338080902 /nfs/dbraw/zinc/08/09/02/338080902.db2.gz XQHZOTOZPSQJQQ-LLVKDONJSA-N 0 3 312.797 3.686 20 5 DHBDHN CN(C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000432922569 338173344 /nfs/dbraw/zinc/17/33/44/338173344.db2.gz OFUIQFXUPVVUPI-INIZCTEOSA-N 0 3 313.357 3.724 20 5 DHBDHN CC1(C)CC[C@@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073619 338180210 /nfs/dbraw/zinc/18/02/10/338180210.db2.gz GEMOYLKVBPEDOD-XJKSGUPXSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)C[C@H](NCCOC2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153746 338183172 /nfs/dbraw/zinc/18/31/72/338183172.db2.gz QRHVHMGXZATVEF-KRWDZBQOSA-N 0 3 318.417 3.866 20 5 DHBDHN CCCCOCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163958 338183590 /nfs/dbraw/zinc/18/35/90/338183590.db2.gz ZBNCMQBCTXALQK-MRXNPFEDSA-N 0 3 306.406 3.724 20 5 DHBDHN CC[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000433304639 338190709 /nfs/dbraw/zinc/19/07/09/338190709.db2.gz NYFJCVLNZGNCNU-YESZJQIVSA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000435736295 338246993 /nfs/dbraw/zinc/24/69/93/338246993.db2.gz VZZKRFYCPFXLHX-KOMQPUFPSA-N 0 3 300.333 3.770 20 5 DHBDHN Cc1c(CN2CCS[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000437531573 338312842 /nfs/dbraw/zinc/31/28/42/338312842.db2.gz AORXFTOLMLNDDK-HOTGVXAUSA-N 0 3 306.431 3.763 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCCC[C@H]3C3CC3)nc2c1 ZINC000446849979 338538495 /nfs/dbraw/zinc/53/84/95/338538495.db2.gz SYFMUHLAGOPOJH-UONOGXRCSA-N 0 3 314.389 3.530 20 5 DHBDHN CO[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000447559859 338556687 /nfs/dbraw/zinc/55/66/87/338556687.db2.gz BIKFYUFYSBWSNI-CVEARBPZSA-N 0 3 306.406 3.623 20 5 DHBDHN CC1(C)C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598658 338561230 /nfs/dbraw/zinc/56/12/30/338561230.db2.gz IMCUFWSIOWHGAY-JKSUJKDBSA-N 0 3 318.417 3.908 20 5 DHBDHN CCC(O)(CC)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447602015 338561496 /nfs/dbraw/zinc/56/14/96/338561496.db2.gz SBKVITUVGRVUTD-MRXNPFEDSA-N 0 3 306.406 3.503 20 5 DHBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449520214 338633989 /nfs/dbraw/zinc/63/39/89/338633989.db2.gz FQVNEOAAUKDJAS-RHSMWYFYSA-N 0 3 316.357 3.512 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cnc(C)cc1C ZINC000449735126 338649131 /nfs/dbraw/zinc/64/91/31/338649131.db2.gz PLBQYMGYCWRYBC-QPEQYQDCSA-N 0 3 311.385 3.800 20 5 DHBDHN C[C@@H](NCC(C)(C)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000453395136 338837366 /nfs/dbraw/zinc/83/73/66/338837366.db2.gz XCYFDLPGSFKFPT-CYBMUJFWSA-N 0 3 306.406 3.577 20 5 DHBDHN CCC(C)(C)OCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000453622577 338851299 /nfs/dbraw/zinc/85/12/99/338851299.db2.gz YHUQLEXJQIDMEB-KAMYIIQDSA-N 0 3 306.406 3.793 20 5 DHBDHN CC(C)c1ccc(CNCc2ccc3cncn3c2)cc1[N+](=O)[O-] ZINC000459659987 339041300 /nfs/dbraw/zinc/04/13/00/339041300.db2.gz NQTLIACCBAGPLB-UHFFFAOYSA-N 0 3 324.384 3.656 20 5 DHBDHN CO[C@@](C)(CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000462911502 339097642 /nfs/dbraw/zinc/09/76/42/339097642.db2.gz NQGXPZWNTFKWKW-KRWDZBQOSA-N 0 3 306.406 3.623 20 5 DHBDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022527 339100787 /nfs/dbraw/zinc/10/07/87/339100787.db2.gz JRCHGEONUWCGNE-DAXOMENPSA-N 0 3 306.406 3.838 20 5 DHBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000466472917 339206522 /nfs/dbraw/zinc/20/65/22/339206522.db2.gz IRAHKCHMAWPKCA-HOTGVXAUSA-N 0 3 324.808 3.543 20 5 DHBDHN Cc1cncc([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000467638620 339243834 /nfs/dbraw/zinc/24/38/34/339243834.db2.gz SJERXNODUAHGDN-LBPRGKRZSA-N 0 3 319.792 3.845 20 5 DHBDHN COc1ccc(C)cc1[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000468002530 339250859 /nfs/dbraw/zinc/25/08/59/339250859.db2.gz GSKKCHNPRXSSRN-CQSZACIVSA-N 0 3 314.385 3.805 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027506 339251405 /nfs/dbraw/zinc/25/14/05/339251405.db2.gz SPTGRKLPVXPTIQ-ZJUUUORDSA-N 0 3 320.311 3.985 20 5 DHBDHN COCC[C@@H]1CCCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000468692168 339268678 /nfs/dbraw/zinc/26/86/78/339268678.db2.gz ZZEZSZSFDZWVFN-FSNWXROXSA-N 0 3 318.417 3.747 20 5 DHBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC000475196278 339440941 /nfs/dbraw/zinc/44/09/41/339440941.db2.gz UMPLUPRIEYBWOG-GFCCVEGCSA-N 0 3 316.405 3.920 20 5 DHBDHN Cc1c([C@@H](C)NC[C@@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000477867429 339503415 /nfs/dbraw/zinc/50/34/15/339503415.db2.gz TVTVKPYEAFOTJH-RDTXWAMCSA-N 0 3 320.433 3.885 20 5 DHBDHN C[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000483549091 339668711 /nfs/dbraw/zinc/66/87/11/339668711.db2.gz XKIRVDQZYPCJQJ-CHWSQXEVSA-N 0 3 318.348 3.852 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000483713072 339672367 /nfs/dbraw/zinc/67/23/67/339672367.db2.gz MDPMIBFVTWRSPT-XOKHGSTOSA-N 0 3 318.417 3.902 20 5 DHBDHN Cc1c(CN[C@@H]2CCCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000502590083 340108690 /nfs/dbraw/zinc/10/86/90/340108690.db2.gz BQHODEDGODIUGJ-TZMCWYRMSA-N 0 3 314.332 3.543 20 5 DHBDHN Cc1c([C@@H](C)N[C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503909047 340136438 /nfs/dbraw/zinc/13/64/38/340136438.db2.gz IQQFUFJJNAUINT-MPKXVKKWSA-N 0 3 314.332 3.714 20 5 DHBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1Cc1ccccc1 ZINC000505612108 340172967 /nfs/dbraw/zinc/17/29/67/340172967.db2.gz OJSWMHTVICHEPR-OAHLLOKOSA-N 0 3 314.360 3.941 20 5 DHBDHN COc1cccc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000505642512 340174043 /nfs/dbraw/zinc/17/40/43/340174043.db2.gz WKDVWSCRYBZVCK-RMKNXTFCSA-N 0 3 312.369 3.749 20 5 DHBDHN Cc1cc(F)ccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511059002 340319674 /nfs/dbraw/zinc/31/96/74/340319674.db2.gz JFQRBMMUAFSPGS-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN CCOCc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173315439 340362158 /nfs/dbraw/zinc/36/21/58/340362158.db2.gz RETKXWADFSQJNJ-CQSZACIVSA-N 0 3 314.385 3.982 20 5 DHBDHN C[C@@H](NC[C@H](C)Oc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173450473 340365222 /nfs/dbraw/zinc/36/52/22/340365222.db2.gz HSSPVAWEROAGMM-QWHCGFSZSA-N 0 3 318.348 3.852 20 5 DHBDHN C[C@H]1CSC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863804 340381343 /nfs/dbraw/zinc/38/13/43/340381343.db2.gz GTHNELYQBJYMJQ-NHYWBVRUSA-N 0 3 318.398 3.696 20 5 DHBDHN CC(C)CO[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688248 340676456 /nfs/dbraw/zinc/67/64/56/340676456.db2.gz QVHNQQWZCUKGTM-CVEARBPZSA-N 0 3 306.406 3.524 20 5 DHBDHN Cc1cccc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537971756 340794568 /nfs/dbraw/zinc/79/45/68/340794568.db2.gz GGAZUNYHQZMMNE-HNNXBMFYSA-N 0 3 314.385 3.941 20 5 DHBDHN C[C@@H](NCCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000542497855 341010573 /nfs/dbraw/zinc/01/05/73/341010573.db2.gz FHBHFJIRPUQVMJ-SNVBAGLBSA-N 0 3 324.302 3.905 20 5 DHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCSC1 ZINC000130547794 341027276 /nfs/dbraw/zinc/02/72/76/341027276.db2.gz SJSVBBJGHYHRHM-GFCCVEGCSA-N 0 3 318.398 3.792 20 5 DHBDHN C[C@@H]1CCC[C@@H](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481236 341046678 /nfs/dbraw/zinc/04/66/78/341046678.db2.gz SHHUHDRNERMLNJ-KGLIPLIRSA-N 0 3 303.406 3.564 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc(N(C)C)c1 ZINC000075612029 341179568 /nfs/dbraw/zinc/17/95/68/341179568.db2.gz FPORMVFKBLRHQJ-AWEZNQCLSA-N 0 3 313.401 3.854 20 5 DHBDHN CC(C)(C)C1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000236817232 341202173 /nfs/dbraw/zinc/20/21/73/341202173.db2.gz FTESMQIBYQRWMM-UHFFFAOYSA-N 0 3 320.433 3.652 20 5 DHBDHN CCc1cccc2c(CCNCc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000237007830 341205746 /nfs/dbraw/zinc/20/57/46/341205746.db2.gz UGHNLTRYEJKRBK-UHFFFAOYSA-N 0 3 323.396 3.971 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245516666 341298792 /nfs/dbraw/zinc/29/87/92/341298792.db2.gz FZQDLUUTFKHVGV-RLFYNMQTSA-N 0 3 318.417 3.591 20 5 DHBDHN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000246918809 341358695 /nfs/dbraw/zinc/35/86/95/341358695.db2.gz YJRIKRLDZAWVPY-NEPJUHHUSA-N 0 3 303.362 3.604 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCO[C@H](C(C)C)C1 ZINC000552443815 341394007 /nfs/dbraw/zinc/39/40/07/341394007.db2.gz AWMQZGFNFKSRTE-KAPURRDVSA-N 0 3 318.417 3.745 20 5 DHBDHN COC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000575116192 341778857 /nfs/dbraw/zinc/77/88/57/341778857.db2.gz XSAATRKIFJSNRV-CVEARBPZSA-N 0 3 306.406 3.578 20 5 DHBDHN CC(C)c1ccc(CN[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000363826618 519836246 /nfs/dbraw/zinc/83/62/46/519836246.db2.gz NOXRZPIGYGYYRG-OAHLLOKOSA-N 0 3 314.389 3.609 20 5 DHBDHN CCCO[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721543 520273327 /nfs/dbraw/zinc/27/33/27/520273327.db2.gz HOPOAESAKZLUNN-LSDHHAIUSA-N 0 3 306.406 3.937 20 5 DHBDHN CCc1nc(CCN[C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000157128444 522285370 /nfs/dbraw/zinc/28/53/70/522285370.db2.gz ZOABVEUPTLHUDJ-OAHLLOKOSA-N 0 3 319.430 3.897 20 5 DHBDHN CC[C@@H](N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016383 522943935 /nfs/dbraw/zinc/94/39/35/522943935.db2.gz KVQKGRGTQBWLLX-DOTOQJQBSA-N 0 3 306.406 3.577 20 5 DHBDHN COc1ccccc1[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000158055793 524759062 /nfs/dbraw/zinc/75/90/62/524759062.db2.gz DODQDKMVKUETFV-OAHLLOKOSA-N 0 3 312.369 3.593 20 5 DHBDHN COc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158646838 526030818 /nfs/dbraw/zinc/03/08/18/526030818.db2.gz ZLPSDRDVCYOSDX-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccncc2)CC1 ZINC000191623587 526077760 /nfs/dbraw/zinc/07/77/60/526077760.db2.gz MWMSGISLXCLIHM-AWEZNQCLSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCO2)CC1 ZINC000189152148 526084016 /nfs/dbraw/zinc/08/40/16/526084016.db2.gz RVQVIWIBXISFGC-CXAGYDPISA-N 0 3 304.390 3.547 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCC2(CCOCC2)C1 ZINC000266538280 526119342 /nfs/dbraw/zinc/11/93/42/526119342.db2.gz PBWRHQAOLCYKSI-CQSZACIVSA-N 0 3 304.390 3.548 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CO)CC1CCCC1)CCC2 ZINC000338026750 527380222 /nfs/dbraw/zinc/38/02/22/527380222.db2.gz KNLANBVPQVVRJA-MAUKXSAKSA-N 0 3 318.417 3.503 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCOC2)s1 ZINC000237956996 527395896 /nfs/dbraw/zinc/39/58/96/527395896.db2.gz JWKWZVQDPZOUQF-GFCCVEGCSA-N 0 3 318.398 3.592 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@H]1CC1CCCCC1 ZINC001167255106 1013453490 /nfs/dbraw/zinc/45/34/90/1013453490.db2.gz CVMKXYRFTJUITO-INIZCTEOSA-N 0 3 303.406 3.925 20 5 DHBDHN CCN(Cc1ccc(C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521221436 1014669731 /nfs/dbraw/zinc/66/97/31/1014669731.db2.gz DOGOSLWWMJAJIN-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)C ZINC000521819955 1014812425 /nfs/dbraw/zinc/81/24/25/1014812425.db2.gz OSJASRNDPLDSAQ-UHFFFAOYSA-N 0 3 318.377 3.513 20 5 DHBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1cccs1 ZINC000051231144 1015344036 /nfs/dbraw/zinc/34/40/36/1015344036.db2.gz BZGUSRRYMRKXDN-CQSZACIVSA-N 0 3 318.398 3.872 20 5 DHBDHN CCC(CC)[C@@H](CCNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000478249962 1016657196 /nfs/dbraw/zinc/65/71/96/1016657196.db2.gz HNELCEHFCSNBQK-MRXNPFEDSA-N 0 3 312.385 3.665 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(C[C@@H](O)C2CCCCC2)C2CC2)c1 ZINC000475054967 1016760625 /nfs/dbraw/zinc/76/06/25/1016760625.db2.gz QHPGIKPLCHFGKO-GOSISDBHSA-N 0 3 318.417 3.500 20 5 DHBDHN CO[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000072924579 1016995290 /nfs/dbraw/zinc/99/52/90/1016995290.db2.gz DODIAXNHAHAULE-QGZVFWFLSA-N 0 3 318.373 3.615 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOC[C@@H](C2CCC2)C1 ZINC000515184687 1012571900 /nfs/dbraw/zinc/57/19/00/1012571900.db2.gz IJPCXCGUVFJWTL-HOCLYGCPSA-N 0 3 318.417 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2Cc3ccccc32)c1 ZINC000037565858 1032667273 /nfs/dbraw/zinc/66/72/73/1032667273.db2.gz MXPLTDSPVJXJIT-LBPRGKRZSA-N 0 3 302.761 3.678 20 5 DHBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCC1 ZINC000475578008 1017460947 /nfs/dbraw/zinc/46/09/47/1017460947.db2.gz KOMLZDSBCSOHBW-UHFFFAOYSA-N 0 3 314.332 3.818 20 5 DHBDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000268929247 1018110204 /nfs/dbraw/zinc/11/02/04/1018110204.db2.gz LRXOIMMVXLHGCA-XCRHUMRWSA-N 0 3 312.369 3.776 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCC2CCOCC2)c1 ZINC000765937229 1018906319 /nfs/dbraw/zinc/90/63/19/1018906319.db2.gz GHIMNIQUCMTAGP-UHFFFAOYSA-N 0 3 312.797 3.545 20 5 DHBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171671214 1032828393 /nfs/dbraw/zinc/82/83/93/1032828393.db2.gz RTOQMNJKHPFZIT-CYBMUJFWSA-N 0 3 314.360 3.896 20 5 DHBDHN CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCCC1 ZINC000611253264 1019420612 /nfs/dbraw/zinc/42/06/12/1019420612.db2.gz NYLJHMNRWRIQFA-UHFFFAOYSA-N 0 3 320.389 3.521 20 5 DHBDHN C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000611413469 1019477149 /nfs/dbraw/zinc/47/71/49/1019477149.db2.gz WHVYFBGQGJMMNY-GXTWGEPZSA-N 0 3 317.414 3.731 20 5 DHBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000255673007 1019555392 /nfs/dbraw/zinc/55/53/92/1019555392.db2.gz NYXMRLINIRXZOJ-ALCCZGGFSA-N 0 3 317.414 3.629 20 5 DHBDHN COc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2)cc1C ZINC000922674357 1020207344 /nfs/dbraw/zinc/20/73/44/1020207344.db2.gz VPWUDJKRLQGWNT-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN Nc1ccc2cc3ccc(Nc4cccnc4N)cc3nc2c1 ZINC001212404031 1020338626 /nfs/dbraw/zinc/33/86/26/1020338626.db2.gz IEJGWWSSWPTCAT-UHFFFAOYSA-N 0 3 301.353 3.691 20 5 DHBDHN C[C@@H]1Oc2ccccc2[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000554721571 1020564377 /nfs/dbraw/zinc/56/43/77/1020564377.db2.gz CYNVRMYUKODVMH-WIRRBCGGSA-N 0 3 310.353 3.720 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCOC3(CCCCC3)C2)cs1 ZINC000136734458 1020628314 /nfs/dbraw/zinc/62/83/14/1020628314.db2.gz JMBIOCCDEQHQTG-CYBMUJFWSA-N 0 3 310.419 3.628 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000612578236 1020630243 /nfs/dbraw/zinc/63/02/43/1020630243.db2.gz XVZOVARZMCXLDW-GOSISDBHSA-N 0 3 312.369 3.946 20 5 DHBDHN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000414107843 1020901402 /nfs/dbraw/zinc/90/14/02/1020901402.db2.gz ZGNRGQQHCHSQRO-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000850342358 1021480913 /nfs/dbraw/zinc/48/09/13/1021480913.db2.gz PZELFCJDNMWHAV-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN CCN(Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051202756 1022060754 /nfs/dbraw/zinc/06/07/54/1022060754.db2.gz JJUWGKDGMJBFIQ-UHFFFAOYSA-N 0 3 300.358 3.626 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000183311788 1022100962 /nfs/dbraw/zinc/10/09/62/1022100962.db2.gz KDZPYNXWLFMOFS-KRWDZBQOSA-N 0 3 311.385 3.590 20 5 DHBDHN Cc1c(CN2CCC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195340169 1022121328 /nfs/dbraw/zinc/12/13/28/1022121328.db2.gz LKWCUSBEIUBQDB-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC001168958766 1022200779 /nfs/dbraw/zinc/20/07/79/1022200779.db2.gz PGWWUXOKDDXLPS-ZJUUUORDSA-N 0 3 303.189 3.528 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2c3ccccc3Oc3ccccc32)C1 ZINC001168989310 1022219403 /nfs/dbraw/zinc/21/94/03/1022219403.db2.gz VVKOQKOYYWTPSS-ZIAGYGMSSA-N 0 3 324.380 3.917 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001169048428 1022229646 /nfs/dbraw/zinc/22/96/46/1022229646.db2.gz UZJIYWJFTTUSLJ-FFSVYQOJSA-N 0 3 310.344 3.547 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000066808745 1022261252 /nfs/dbraw/zinc/26/12/52/1022261252.db2.gz CMKWNYWIQXUVBY-AWEZNQCLSA-N 0 3 320.418 3.546 20 5 DHBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181586256 1022301171 /nfs/dbraw/zinc/30/11/71/1022301171.db2.gz XXKLDVOTVGFYKT-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(CCc1ccc(F)cc1)C1CC1 ZINC000609744683 1022340704 /nfs/dbraw/zinc/34/07/04/1022340704.db2.gz STEBWOFSMZJZKM-UHFFFAOYSA-N 0 3 314.360 3.941 20 5 DHBDHN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)C(C)C ZINC000128464267 1022407109 /nfs/dbraw/zinc/40/71/09/1022407109.db2.gz GUUNYQTWGAXBDD-GFCCVEGCSA-N 0 3 318.377 3.511 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342685 1022817218 /nfs/dbraw/zinc/81/72/18/1022817218.db2.gz JAFTWLISGHTOBN-SUMWQHHRSA-N 0 3 300.358 3.633 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC3CCC3)o2)cc1 ZINC000742385887 1022827847 /nfs/dbraw/zinc/82/78/47/1022827847.db2.gz ZZULILPKPMKDIT-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN CC(C)[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788534639 1023907690 /nfs/dbraw/zinc/90/76/90/1023907690.db2.gz HMGTUTMKFZWOFC-JKSUJKDBSA-N 0 3 320.414 3.504 20 5 DHBDHN Cc1cc(NCC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302104611 1024472896 /nfs/dbraw/zinc/47/28/96/1024472896.db2.gz WUWHYYLHYUJXIG-CQSZACIVSA-N 0 3 315.373 3.823 20 5 DHBDHN C[C@H]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634397 1024559446 /nfs/dbraw/zinc/55/94/46/1024559446.db2.gz SHKMNHIKKQLVPI-SWLSCSKDSA-N 0 3 316.357 3.512 20 5 DHBDHN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000113314777 1024798676 /nfs/dbraw/zinc/79/86/76/1024798676.db2.gz BSIQMOHSLPZJOU-JTQLQIEISA-N 0 3 303.387 3.606 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@]2(CCCOC2)C1 ZINC000353746089 1025228092 /nfs/dbraw/zinc/22/80/92/1025228092.db2.gz KVMWYXZBRBPAIX-JGIVAVPZSA-N 0 3 316.401 3.501 20 5 DHBDHN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886014614 1025438346 /nfs/dbraw/zinc/43/83/46/1025438346.db2.gz LPEMKDSBRRWEEY-IUODEOHRSA-N 0 3 315.348 3.507 20 5 DHBDHN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCCS1 ZINC000126475613 1033284541 /nfs/dbraw/zinc/28/45/41/1033284541.db2.gz FQIXIKQKVLLAIS-ZDUSSCGKSA-N 0 3 300.811 3.624 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(C[C@H](O)CC2CCCC2)C2CC2)c1 ZINC000354847436 1025523673 /nfs/dbraw/zinc/52/36/73/1025523673.db2.gz BTXPKCJTTNHOIZ-GOSISDBHSA-N 0 3 318.417 3.500 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CSC(C)(C)C ZINC000178729435 1025968775 /nfs/dbraw/zinc/96/87/75/1025968775.db2.gz DOCNIKOPVWPHGH-NSHDSACASA-N 0 3 312.435 3.613 20 5 DHBDHN CC1(C)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892817 1026071656 /nfs/dbraw/zinc/07/16/56/1026071656.db2.gz VJIOKFVGVAZVPL-UHFFFAOYSA-N 0 3 301.346 3.624 20 5 DHBDHN CC[C@@H](O)CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481687 1027006800 /nfs/dbraw/zinc/00/68/00/1027006800.db2.gz JRJIJBNNQMTKML-LLVKDONJSA-N 0 3 321.204 3.542 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000355754143 1027105216 /nfs/dbraw/zinc/10/52/16/1027105216.db2.gz ZODQNVVMCJWPQQ-RHSMWYFYSA-N 0 3 304.390 3.548 20 5 DHBDHN CC(COC(=O)c1sc2cc(F)ccc2c1Cl)[N+](=O)[O-] ZINC000813115619 1027535802 /nfs/dbraw/zinc/53/58/02/1027535802.db2.gz WKXLHDNLXYHIDI-ZCFIWIBFSA-N 0 3 317.725 3.516 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])CC1=Cc2ccccc2OC1 ZINC000576314231 1027600989 /nfs/dbraw/zinc/60/09/89/1027600989.db2.gz KBLIOBHWFJDYJP-UHFFFAOYSA-N 0 3 324.380 3.545 20 5 DHBDHN Cc1cnccc1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000576396680 1027613923 /nfs/dbraw/zinc/61/39/23/1027613923.db2.gz KODFFKMJCKRQKG-UHFFFAOYSA-N 0 3 311.385 3.505 20 5 DHBDHN Cc1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000600789498 1027833095 /nfs/dbraw/zinc/83/30/95/1027833095.db2.gz FOMSICGLKDNANN-SCLBCKFNSA-N 0 3 312.369 3.620 20 5 DHBDHN CC[C@@H](CC(F)(F)F)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419811 1028038201 /nfs/dbraw/zinc/03/82/01/1028038201.db2.gz ZIECWGFHGNGDBG-CABZTGNLSA-N 0 3 302.296 3.903 20 5 DHBDHN COc1cccc2c1CC[C@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549157 1028105418 /nfs/dbraw/zinc/10/54/18/1028105418.db2.gz OZTGZQQFAXBXFB-IAGOWNOFSA-N 0 3 324.380 3.868 20 5 DHBDHN CC[C@](C)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000449480206 1028679289 /nfs/dbraw/zinc/67/92/89/1028679289.db2.gz XVDOWENQCMHYBN-QGZVFWFLSA-N 0 3 318.373 3.760 20 5 DHBDHN Cc1ncsc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449497299 1028709412 /nfs/dbraw/zinc/70/94/12/1028709412.db2.gz IQFXJQBVWGQPIS-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000568612834 1029099784 /nfs/dbraw/zinc/09/97/84/1029099784.db2.gz GHVFBCAAOSDCPS-QGZVFWFLSA-N 0 3 318.348 3.854 20 5 DHBDHN CCC[C@]1(CO)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000570368218 1029358224 /nfs/dbraw/zinc/35/82/24/1029358224.db2.gz YYCQSSNIRBDHBK-SFHVURJKSA-N 0 3 320.433 3.703 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1cscn1 ZINC000129995410 1029753067 /nfs/dbraw/zinc/75/30/67/1029753067.db2.gz PJZMZPWIFRFUEE-SWLSCSKDSA-N 0 3 317.414 3.552 20 5 DHBDHN C[C@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766602 1030627520 /nfs/dbraw/zinc/62/75/20/1030627520.db2.gz VVFBFQBZCDZFHZ-LLVKDONJSA-N 0 3 323.607 3.922 20 5 DHBDHN COc1cc(CN2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559001 1031026555 /nfs/dbraw/zinc/02/65/55/1031026555.db2.gz OYNCHYPWQOEQOH-DYVFJYSZSA-N 0 3 304.390 3.616 20 5 DHBDHN CCC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872042030 1031428982 /nfs/dbraw/zinc/42/89/82/1031428982.db2.gz YWCRUELEFWZBSB-GFCCVEGCSA-N 0 3 310.369 3.591 20 5 DHBDHN CC(C)[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048047 1031436554 /nfs/dbraw/zinc/43/65/54/1031436554.db2.gz WVSHZUBAIQUXIB-HUBLWGQQSA-N 0 3 310.369 3.588 20 5 DHBDHN CCOC1CC(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872065042 1031460626 /nfs/dbraw/zinc/46/06/26/1031460626.db2.gz RFZSLTBEMIJOKZ-PNESKVBLSA-N 0 3 310.369 3.590 20 5 DHBDHN C[C@H](NC[C@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074832 1031472866 /nfs/dbraw/zinc/47/28/66/1031472866.db2.gz IVUSLBIQZFJCJY-STQMWFEESA-N 0 3 322.380 3.734 20 5 DHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)o1 ZINC000845872310 1031747564 /nfs/dbraw/zinc/74/75/64/1031747564.db2.gz GNAVPUUCHAUPRI-BMIGLBTASA-N 0 3 321.304 3.599 20 5 DHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])oc1C ZINC000845874704 1031748231 /nfs/dbraw/zinc/74/82/31/1031748231.db2.gz IJAJMHLGZAFIFU-ZUZCIYMTSA-N 0 3 321.304 3.599 20 5 DHBDHN CC([C@@H](OC(=O)C1=CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877400 1031750404 /nfs/dbraw/zinc/75/04/04/1031750404.db2.gz PMSWQVWOGXHTKO-IAQYHMDHSA-N 0 3 307.321 3.576 20 5 DHBDHN CC([C@@H](OC(=O)C[C@@H](C)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880154 1031750608 /nfs/dbraw/zinc/75/06/08/1031750608.db2.gz YVDCLSMRMLZAMC-OHUAYANFSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1cscc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881199 1031752191 /nfs/dbraw/zinc/75/21/91/1031752191.db2.gz ZGKFVISVLNJQRA-IINYFYTJSA-N 0 3 323.345 3.759 20 5 DHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845884582 1031754017 /nfs/dbraw/zinc/75/40/17/1031754017.db2.gz ZZYCHSAUEIHJGZ-YGRLFVJLSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)C1CC(C)(C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883040 1031755335 /nfs/dbraw/zinc/75/53/35/1031755335.db2.gz RARZMKXQDRXRHN-YGRLFVJLSA-N 0 3 309.337 3.511 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1cncs1 ZINC000897932143 1031874114 /nfs/dbraw/zinc/87/41/14/1031874114.db2.gz IHTYCCCUOVUAKQ-BCMYLCSRSA-N 0 3 303.387 3.805 20 5 DHBDHN C[C@H](NCc1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361480844 1031945919 /nfs/dbraw/zinc/94/59/19/1031945919.db2.gz GYZIMAUJMJVFON-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN C[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954784 1032040512 /nfs/dbraw/zinc/04/05/12/1032040512.db2.gz PXUMZDBBFHELGG-CQSZACIVSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@@H](N(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1(C)CC1 ZINC000777962352 1032046747 /nfs/dbraw/zinc/04/67/47/1032046747.db2.gz AOHPFRHQPHXBJP-CYBMUJFWSA-N 0 3 314.389 3.536 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OC2CCC2)CC1 ZINC000877593373 1033372263 /nfs/dbraw/zinc/37/22/63/1033372263.db2.gz TXVHVMNEVQDNOE-UHFFFAOYSA-N 0 3 318.417 3.745 20 5 DHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)[C@]12C[C@H]1CCCC2 ZINC000877686816 1033413258 /nfs/dbraw/zinc/41/32/58/1033413258.db2.gz YXVRFAXSCOADBR-JKDFXYPNSA-N 0 3 315.373 3.794 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC2(C)C)c1F ZINC001173182534 1033583621 /nfs/dbraw/zinc/58/36/21/1033583621.db2.gz STCYRRCMRCMFPF-NSHDSACASA-N 0 3 310.369 3.548 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H](C)CC2)c1F ZINC001173182800 1033584007 /nfs/dbraw/zinc/58/40/07/1033584007.db2.gz UHSVQBQCRJNRLR-CHWSQXEVSA-N 0 3 324.396 3.796 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](C)CC23CC3)c1F ZINC001173191697 1033584175 /nfs/dbraw/zinc/58/41/75/1033584175.db2.gz GKMQIBXHCYOWRE-NWDGAFQWSA-N 0 3 322.380 3.548 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)CC1 ZINC001173223238 1033603844 /nfs/dbraw/zinc/60/38/44/1033603844.db2.gz ZBKAGXQXKKSXHF-LLVKDONJSA-N 0 3 316.323 3.800 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000553262349 1033645025 /nfs/dbraw/zinc/64/50/25/1033645025.db2.gz QZYZVAVMVRWVJA-RISCZKNCSA-N 0 3 321.352 3.868 20 5 DHBDHN CC(C)(NC[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878644415 1033781401 /nfs/dbraw/zinc/78/14/01/1033781401.db2.gz YXMCJEJBMIMMAT-ZDUSSCGKSA-N 0 3 304.390 3.521 20 5 DHBDHN CC[C@H](NCc1ccc([C@@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552863 1034247175 /nfs/dbraw/zinc/24/71/75/1034247175.db2.gz PLCNNOUKTZQECX-ACJLOTCBSA-N 0 3 314.385 3.889 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCCc2c(O)cccc21 ZINC000480481368 1034262238 /nfs/dbraw/zinc/26/22/38/1034262238.db2.gz ZHEDPFJNMFEJAR-WVRJYTFGSA-N 0 3 324.380 3.981 20 5 DHBDHN Cc1ncsc1CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179518281 1034312167 /nfs/dbraw/zinc/31/21/67/1034312167.db2.gz OOIPKRQPQSVRMB-UHFFFAOYSA-N 0 3 317.414 3.567 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]1C1CCOCC1 ZINC000777440459 1034745279 /nfs/dbraw/zinc/74/52/79/1034745279.db2.gz WUPBOUGZOHJMGK-HNNXBMFYSA-N 0 3 324.808 3.639 20 5 DHBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000567810701 1034995335 /nfs/dbraw/zinc/99/53/35/1034995335.db2.gz DFLKZSYZPZINQR-UHFFFAOYSA-N 0 3 301.184 3.588 20 5 DHBDHN CC(C)(C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000483240990 1035243956 /nfs/dbraw/zinc/24/39/56/1035243956.db2.gz VEOMAXCWZVRABO-LBPRGKRZSA-N 0 3 317.389 3.994 20 5 DHBDHN Cc1cc(NC[C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000485400739 1035597929 /nfs/dbraw/zinc/59/79/29/1035597929.db2.gz CXOJRYALLZBUMM-NSHDSACASA-N 0 3 321.327 3.721 20 5 DHBDHN COc1c([O-])ccc(C[N@H+](CC(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC001180154561 1035614056 /nfs/dbraw/zinc/61/40/56/1035614056.db2.gz TXFOTLFUANNCNX-UHFFFAOYSA-N 0 3 322.405 3.710 20 5 DHBDHN COc1c([O-])ccc(C[N@@H+](CC(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC001180154561 1035614060 /nfs/dbraw/zinc/61/40/60/1035614060.db2.gz TXFOTLFUANNCNX-UHFFFAOYSA-N 0 3 322.405 3.710 20 5 DHBDHN CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000089882932 1035766396 /nfs/dbraw/zinc/76/63/96/1035766396.db2.gz KMBGLADAJUMMDF-UHFFFAOYSA-N 0 3 315.373 3.872 20 5 DHBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccc1C ZINC000485828323 1035982527 /nfs/dbraw/zinc/98/25/27/1035982527.db2.gz YFJDLGOAXPMKRQ-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN COc1ccc(CN[C@H]2C[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902790 1036646316 /nfs/dbraw/zinc/64/63/16/1036646316.db2.gz VYYACGRXGPELGD-LRDDRELGSA-N 0 3 312.369 3.942 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CC=CC3)cs2)c1 ZINC000151941617 1036748744 /nfs/dbraw/zinc/74/87/44/1036748744.db2.gz QLFNCGXERKWHIN-UHFFFAOYSA-N 0 3 301.371 3.527 20 5 DHBDHN CC(C)c1ccc(CN2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000488367669 1036986786 /nfs/dbraw/zinc/98/67/86/1036986786.db2.gz PRVRMAGXNDEDMJ-CYBMUJFWSA-N 0 3 308.447 3.903 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(CC[C@H]2CCCCO2)C2CC2)c1 ZINC000347433050 1037195030 /nfs/dbraw/zinc/19/50/30/1037195030.db2.gz GJMVEDMJIVBBGT-QGZVFWFLSA-N 0 3 304.390 3.518 20 5 DHBDHN Nc1ccc2cc3ccc(Nc4ccc(N)nc4)cc3nc2c1 ZINC001201292431 1037590116 /nfs/dbraw/zinc/59/01/16/1037590116.db2.gz OECLMBMJDHTWOF-UHFFFAOYSA-N 0 3 301.353 3.691 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001190528944 1038338488 /nfs/dbraw/zinc/33/84/88/1038338488.db2.gz OPQVZPHOLMXYSS-MSOLQXFVSA-N 0 3 318.417 3.763 20 5 DHBDHN COCC(C)(C)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000588928836 1038407163 /nfs/dbraw/zinc/40/71/63/1038407163.db2.gz QEXMKGZJCMESBN-UHFFFAOYSA-N 0 3 314.813 3.791 20 5 DHBDHN CN(C/C=C\c1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000572801974 1038502795 /nfs/dbraw/zinc/50/27/95/1038502795.db2.gz INQJPSKIJHBGGJ-PLNGDYQASA-N 0 3 314.360 3.922 20 5 DHBDHN Cc1c(CN2CCC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590601874 1038674241 /nfs/dbraw/zinc/67/42/41/1038674241.db2.gz SHBPDMILCXDEBY-INIZCTEOSA-N 0 3 311.385 3.678 20 5 DHBDHN C[C@@H](c1cccs1)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046054718 1039059519 /nfs/dbraw/zinc/05/95/19/1039059519.db2.gz GGJNBBHWCVAYOC-LBPRGKRZSA-N 0 3 306.387 3.728 20 5 DHBDHN CC1(C)C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000594964157 1039968265 /nfs/dbraw/zinc/96/82/65/1039968265.db2.gz OWWHFAQKNQXPNI-CYBMUJFWSA-N 0 3 316.357 3.512 20 5 DHBDHN CC1(C)C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000594964160 1039968796 /nfs/dbraw/zinc/96/87/96/1039968796.db2.gz OWWHFAQKNQXPNI-ZDUSSCGKSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1noc(CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595479627 1040150347 /nfs/dbraw/zinc/15/03/47/1040150347.db2.gz GAVFXZPOIFXNLC-DOMZBBRYSA-N 0 3 315.373 3.578 20 5 DHBDHN CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000595491303 1040152709 /nfs/dbraw/zinc/15/27/09/1040152709.db2.gz VFCYZBJMPSCCMI-CQSZACIVSA-N 0 3 310.369 3.513 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000595787540 1040255236 /nfs/dbraw/zinc/25/52/36/1040255236.db2.gz JRLNHUMXEHCXGW-RDTXWAMCSA-N 0 3 318.417 3.937 20 5 DHBDHN CC[C@](C)(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000602674135 1041141783 /nfs/dbraw/zinc/14/17/83/1041141783.db2.gz FGNOBZGWDVMNBW-CYBMUJFWSA-N 0 3 320.311 3.518 20 5 DHBDHN C[C@@H]1SCC[C@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703978 1041169372 /nfs/dbraw/zinc/16/93/72/1041169372.db2.gz UUDBGPAJDRJSMV-GZMMTYOYSA-N 0 3 320.336 3.597 20 5 DHBDHN C[C@H]1SCC[C@H]1NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703981 1041170107 /nfs/dbraw/zinc/17/01/07/1041170107.db2.gz UUDBGPAJDRJSMV-LDYMZIIASA-N 0 3 320.336 3.597 20 5 DHBDHN C[C@H]1C[C@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069105 130087303 /nfs/dbraw/zinc/08/73/03/130087303.db2.gz OAHLFCOPQHKUOH-NWDGAFQWSA-N 0 3 312.797 3.543 20 5 DHBDHN COc1ccc(CC[C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000120081877 132139005 /nfs/dbraw/zinc/13/90/05/132139005.db2.gz UBOGBKVBBBFQPK-AWEZNQCLSA-N 0 3 314.385 3.714 20 5 DHBDHN C[C@H](NC[C@@H](c1cccs1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122144248 132162105 /nfs/dbraw/zinc/16/21/05/132162105.db2.gz SEBZTRNQMQZBMB-WFASDCNBSA-N 0 3 319.430 3.610 20 5 DHBDHN C[C@H](NCc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128924333 332015718 /nfs/dbraw/zinc/01/57/18/332015718.db2.gz QJJDFZBDJBRXJK-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN CCC[C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842193 332284532 /nfs/dbraw/zinc/28/45/32/332284532.db2.gz RHJZSIRKVDSYNU-TZMCWYRMSA-N 0 3 316.405 3.920 20 5 DHBDHN CCC[C@@H](CCO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000323184197 332388949 /nfs/dbraw/zinc/38/89/49/332388949.db2.gz FTRIOKHLXCEBRK-ZDUSSCGKSA-N 0 3 317.389 3.662 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCCSC3)o2)c1 ZINC000561527884 332459389 /nfs/dbraw/zinc/45/93/89/332459389.db2.gz YBHHEDGUTLDDKZ-CYBMUJFWSA-N 0 3 318.398 3.840 20 5 DHBDHN CC[C@H]1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445794 333021078 /nfs/dbraw/zinc/02/10/78/333021078.db2.gz JYHLMSUUMPDCPT-FZMZJTMJSA-N 0 3 312.797 3.543 20 5 DHBDHN Cc1cc(NCCc2nccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181496706 333030369 /nfs/dbraw/zinc/03/03/69/333030369.db2.gz ASEHIUCCHGVFPN-UHFFFAOYSA-N 0 3 314.370 3.563 20 5 DHBDHN CO[C@](C)(CNCc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000462911503 333130601 /nfs/dbraw/zinc/13/06/01/333130601.db2.gz NQGXPZWNTFKWKW-QGZVFWFLSA-N 0 3 306.406 3.623 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCO[C@H]1c1ccccc1 ZINC000582132216 333152516 /nfs/dbraw/zinc/15/25/16/333152516.db2.gz FBEUMJFXZXEQSH-LNLFQRSKSA-N 0 3 324.380 3.702 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCc1nccs1 ZINC000182929990 333181539 /nfs/dbraw/zinc/18/15/39/333181539.db2.gz AXVIFQHKYUZQHB-LBPRGKRZSA-N 0 3 305.403 3.595 20 5 DHBDHN C[C@@H](N[C@@H](C)CCc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000390353158 333271085 /nfs/dbraw/zinc/27/10/85/333271085.db2.gz PFHHEUSKCNYJMM-UONOGXRCSA-N 0 3 314.385 3.972 20 5 DHBDHN CC(C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000497814747 333295854 /nfs/dbraw/zinc/29/58/54/333295854.db2.gz ZGOSBVRNIGAXPJ-KRWDZBQOSA-N 0 3 317.364 3.658 20 5 DHBDHN COc1ccc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000525787624 333313688 /nfs/dbraw/zinc/31/36/88/333313688.db2.gz FUWIRZNOSSYMKD-YUELXQCFSA-N 0 3 304.390 3.756 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725670 333377504 /nfs/dbraw/zinc/37/75/04/333377504.db2.gz YECWQUBMYQAEJV-VXGBXAGGSA-N 0 3 305.403 3.814 20 5 DHBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000343349990 335153106 /nfs/dbraw/zinc/15/31/06/335153106.db2.gz PWIRZQOWPBZLKN-OAHLLOKOSA-N 0 3 321.352 3.822 20 5 DHBDHN CO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000414197421 333912608 /nfs/dbraw/zinc/91/26/08/333912608.db2.gz VSLRSALSJQBNMK-UHOFOFEASA-N 0 3 304.390 3.511 20 5 DHBDHN Cc1c([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000276489950 334079880 /nfs/dbraw/zinc/07/98/80/334079880.db2.gz HMUYPYBANIUQBS-CYBMUJFWSA-N 0 3 316.405 3.574 20 5 DHBDHN C[C@@H]1CCC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321294 334107749 /nfs/dbraw/zinc/10/77/49/334107749.db2.gz SJFCKGJJEBRTRQ-IAQYHMDHSA-N 0 3 301.346 3.528 20 5 DHBDHN CC(C)c1ccc([C@@H](N)CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000414850441 334123294 /nfs/dbraw/zinc/12/32/94/334123294.db2.gz SGJQRZINQHYHSE-HNNXBMFYSA-N 0 3 319.430 3.569 20 5 DHBDHN C[C@@H]1CC[C@H](CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377068 334765493 /nfs/dbraw/zinc/76/54/93/334765493.db2.gz RPPJLKLEHUESKY-SRCQZFHVSA-N 0 3 304.390 3.519 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cnc(C)s1 ZINC000344832645 335278772 /nfs/dbraw/zinc/27/87/72/335278772.db2.gz SMYRXOKSFPUBTH-IZZDOVSWSA-N 0 3 303.387 3.553 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H]3C3CC3)co2)cc1 ZINC000366893983 335315023 /nfs/dbraw/zinc/31/50/23/335315023.db2.gz DFHXPHMSGGIQBO-MRXNPFEDSA-N 0 3 313.357 3.624 20 5 DHBDHN C[C@H](NCc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000194375026 338516564 /nfs/dbraw/zinc/51/65/64/338516564.db2.gz BVRJPWJJJPYFMF-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN Cc1ccc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])N(C)C)cc1 ZINC000301078842 336288769 /nfs/dbraw/zinc/28/87/69/336288769.db2.gz HJWCJYQIQAKWQU-MRXNPFEDSA-N 0 3 317.364 3.757 20 5 DHBDHN Cc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000301137073 336291749 /nfs/dbraw/zinc/29/17/49/336291749.db2.gz BGWWFIDJUPQREO-MRXNPFEDSA-N 0 3 315.373 3.745 20 5 DHBDHN CC(C)(C)Oc1cc(NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000301848673 336333902 /nfs/dbraw/zinc/33/39/02/336333902.db2.gz ABQSOOMQWHOGIH-UHFFFAOYSA-N 0 3 321.421 3.670 20 5 DHBDHN Cc1cc(NC[C@@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302378988 336357865 /nfs/dbraw/zinc/35/78/65/336357865.db2.gz GGHQYBKFGHJWLY-ZDUSSCGKSA-N 0 3 315.373 3.821 20 5 DHBDHN Cc1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824081 336370812 /nfs/dbraw/zinc/37/08/12/336370812.db2.gz LMHXOIKUNXEMFB-SJLPKXTDSA-N 0 3 311.385 3.761 20 5 DHBDHN Cc1ccc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824080 336370840 /nfs/dbraw/zinc/37/08/40/336370840.db2.gz LMHXOIKUNXEMFB-FUHWJXTLSA-N 0 3 311.385 3.761 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1COCc2ccccc21 ZINC000418109047 336578231 /nfs/dbraw/zinc/57/82/31/336578231.db2.gz SLROWLSTMCVPBC-BZPDREMPSA-N 0 3 324.380 3.859 20 5 DHBDHN CC[C@@H](N[C@@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043541 336654914 /nfs/dbraw/zinc/65/49/14/336654914.db2.gz DMFDNPAGQPMERY-GDBMZVCRSA-N 0 3 308.422 3.823 20 5 DHBDHN CC[C@H](N[C@@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043544 336655022 /nfs/dbraw/zinc/65/50/22/336655022.db2.gz DMFDNPAGQPMERY-ZBFHGGJFSA-N 0 3 308.422 3.823 20 5 DHBDHN Cc1ccc(CNCC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000368602342 336848944 /nfs/dbraw/zinc/84/89/44/336848944.db2.gz JPMBQVTVMYZSQL-UHFFFAOYSA-N 0 3 311.385 3.510 20 5 DHBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000377785437 337061085 /nfs/dbraw/zinc/06/10/85/337061085.db2.gz UBXUKJOKPKYHNU-MSOLQXFVSA-N 0 3 312.369 3.605 20 5 DHBDHN Cc1cccc2c1OC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000514665702 337143942 /nfs/dbraw/zinc/14/39/42/337143942.db2.gz KXZGPXIYKLUSIK-HFTQHKIXSA-N 0 3 324.380 3.510 20 5 DHBDHN CCS[C@H]1CCCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429683101 337630457 /nfs/dbraw/zinc/63/04/57/337630457.db2.gz INMHHSYETVMPBI-ZFWWWQNUSA-N 0 3 312.410 3.888 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)COCC(F)(F)F ZINC000536883840 337844333 /nfs/dbraw/zinc/84/43/33/337844333.db2.gz ZITCIXKJKPGOLX-GHMZBOCLSA-N 0 3 320.311 3.521 20 5 DHBDHN CCOCc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119551764 337861300 /nfs/dbraw/zinc/86/13/00/337861300.db2.gz VTWUFBXJYYASRU-AWEZNQCLSA-N 0 3 314.385 3.982 20 5 DHBDHN C[C@@](O)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313843 338009572 /nfs/dbraw/zinc/00/95/72/338009572.db2.gz XQVLQALWYRJSMG-FUHWJXTLSA-N 0 3 318.417 3.503 20 5 DHBDHN CC(C)(NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000429259228 338075051 /nfs/dbraw/zinc/07/50/51/338075051.db2.gz SNZJIQPPXJKYRP-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN CC(C)(NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000429259760 338075129 /nfs/dbraw/zinc/07/51/29/338075129.db2.gz YRWCFANUBNKQHI-UHFFFAOYSA-N 0 3 302.349 3.801 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414436 338080176 /nfs/dbraw/zinc/08/01/76/338080176.db2.gz XZBVZMOKQJLFNR-MLGOLLRUSA-N 0 3 304.390 3.977 20 5 DHBDHN CC[C@@H]1CCN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000430196979 338100911 /nfs/dbraw/zinc/10/09/11/338100911.db2.gz SZCVDTZOYZEABT-GFCCVEGCSA-N 0 3 316.357 3.848 20 5 DHBDHN Cc1cc([N+](=O)[O-])cnc1SCCN(C)Cc1ccccc1 ZINC000432930741 338173909 /nfs/dbraw/zinc/17/39/09/338173909.db2.gz ZTAMKAKFQXOOQE-UHFFFAOYSA-N 0 3 317.414 3.522 20 5 DHBDHN CN(C)[C@@H]1CCOc2c(Nc3ccccc3[N+](=O)[O-])cccc21 ZINC000432936053 338174254 /nfs/dbraw/zinc/17/42/54/338174254.db2.gz CDDQKBBHIUYWPM-OAHLLOKOSA-N 0 3 313.357 3.724 20 5 DHBDHN CC[C@@H](NCC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433058109 338179136 /nfs/dbraw/zinc/17/91/36/338179136.db2.gz OTOJVCCUHDRSEN-MRXNPFEDSA-N 0 3 318.417 3.578 20 5 DHBDHN CO[C@@H]1CCCC[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433076967 338180657 /nfs/dbraw/zinc/18/06/57/338180657.db2.gz PTRJZYDMYMPQKW-BRWVUGGUSA-N 0 3 318.417 3.864 20 5 DHBDHN CCC(CC)[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115114 338182207 /nfs/dbraw/zinc/18/22/07/338182207.db2.gz HRDCGROEKXPNDV-SJORKVTESA-N 0 3 320.433 3.704 20 5 DHBDHN Cc1ccc(CN[C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438482108 338345440 /nfs/dbraw/zinc/34/54/40/338345440.db2.gz KCZQJVVEPHBWTN-GFCCVEGCSA-N 0 3 304.312 3.970 20 5 DHBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000439127824 338361812 /nfs/dbraw/zinc/36/18/12/338361812.db2.gz LFZZKPRNANRYLU-SJCJKPOMSA-N 0 3 317.364 3.837 20 5 DHBDHN C[C@@H](c1ccco1)N(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440899745 338399618 /nfs/dbraw/zinc/39/96/18/338399618.db2.gz UMLUTYAQSUTYFA-ZDUSSCGKSA-N 0 3 316.357 3.792 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCO[C@H](c2cccs2)C1 ZINC000449617770 338641628 /nfs/dbraw/zinc/64/16/28/338641628.db2.gz ALFSGSTVXHTNEN-ZFWWWQNUSA-N 0 3 318.398 3.666 20 5 DHBDHN Cc1cccc(C)c1OCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467832047 339247090 /nfs/dbraw/zinc/24/70/90/339247090.db2.gz NSNVMPIBMDWDHX-HNNXBMFYSA-N 0 3 314.385 3.941 20 5 DHBDHN CCOC[C@@H]1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174960 339312808 /nfs/dbraw/zinc/31/28/08/339312808.db2.gz OIAINSPEFDPKPC-IUYQLWOBSA-N 0 3 318.417 3.747 20 5 DHBDHN CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000470178295 339313056 /nfs/dbraw/zinc/31/30/56/339313056.db2.gz XZANNQXBTLLOBP-PTNGSMBKSA-N 0 3 311.385 3.915 20 5 DHBDHN CSC[C@@H]1CCCN1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179516 339313170 /nfs/dbraw/zinc/31/31/70/339313170.db2.gz YFZCAROPLDTYHX-OVHOFWQVSA-N 0 3 306.431 3.826 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCC(O)(CC)CC)cc1[N+](=O)[O-] ZINC000471790516 339354101 /nfs/dbraw/zinc/35/41/01/339354101.db2.gz VKNUKUHNNYQQLN-CYBMUJFWSA-N 0 3 324.421 3.585 20 5 DHBDHN Cn1cccc1[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000472315453 339369666 /nfs/dbraw/zinc/36/96/66/339369666.db2.gz NQKIDCJJOQRWMJ-SFHVURJKSA-N 0 3 313.401 3.703 20 5 DHBDHN Cc1cc2[nH]c(CNCc3ccc([N+](=O)[O-])cc3)cc2c(C)c1 ZINC000479542369 339540185 /nfs/dbraw/zinc/54/01/85/339540185.db2.gz MEVUXSDTHRDEAO-UHFFFAOYSA-N 0 3 309.369 3.983 20 5 DHBDHN CCCC(O)(CCC)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483294843 339660252 /nfs/dbraw/zinc/66/02/52/339660252.db2.gz KKLVAQUOAMFAET-AWEZNQCLSA-N 0 3 308.422 3.885 20 5 DHBDHN CC(C)c1ccc(CN(C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000497112392 340020622 /nfs/dbraw/zinc/02/06/22/340020622.db2.gz DZUBLUOGVOSYEI-CRAIPNDOSA-N 0 3 320.433 3.701 20 5 DHBDHN CC[C@@H]1C[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793632 340231727 /nfs/dbraw/zinc/23/17/27/340231727.db2.gz HURPCPBVKZMFJD-WMLDXEAASA-N 0 3 318.417 3.764 20 5 DHBDHN COc1cc(C[NH2+]CCCC2CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000508108934 340239274 /nfs/dbraw/zinc/23/92/74/340239274.db2.gz FIZHVUUSECLAAJ-UHFFFAOYSA-N 0 3 322.405 3.759 20 5 DHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccc(F)cc1 ZINC000510455578 340299971 /nfs/dbraw/zinc/29/99/71/340299971.db2.gz CFJCNVZSIHXCQE-GQCTYLIASA-N 0 3 314.360 3.922 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000511103819 340320936 /nfs/dbraw/zinc/32/09/36/340320936.db2.gz CPXVZWFJLBZNHH-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN COc1cc(C[NH2+]CC[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000512229344 340353218 /nfs/dbraw/zinc/35/32/18/340353218.db2.gz YXWAUMGANICXPH-CHWSQXEVSA-N 0 3 322.405 3.615 20 5 DHBDHN CCOCCN(CC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512299834 340356077 /nfs/dbraw/zinc/35/60/77/340356077.db2.gz PJBPNOQNBJSTAG-UHFFFAOYSA-N 0 3 318.373 3.713 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCCC1 ZINC000512702070 340373634 /nfs/dbraw/zinc/37/36/34/340373634.db2.gz ZUYKXEDWJWBCRE-UHFFFAOYSA-N 0 3 314.332 3.818 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNCC[C@@H](C)c1ccccc1 ZINC000237192497 340668785 /nfs/dbraw/zinc/66/87/85/340668785.db2.gz YGUKZAIIHQFHMP-CQSZACIVSA-N 0 3 314.385 3.887 20 5 DHBDHN CC(C)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370804 341078624 /nfs/dbraw/zinc/07/86/24/341078624.db2.gz MOVWIRCCLQSWGZ-IUODEOHRSA-N 0 3 312.797 3.541 20 5 DHBDHN CC(C)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370805 341078668 /nfs/dbraw/zinc/07/86/68/341078668.db2.gz MOVWIRCCLQSWGZ-SWLSCSKDSA-N 0 3 312.797 3.541 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@H]2CCCC[C@H]21 ZINC000544611511 341088929 /nfs/dbraw/zinc/08/89/29/341088929.db2.gz FUYPFYBOVJYNKS-CVEARBPZSA-N 0 3 306.431 3.763 20 5 DHBDHN CCN(CCC1CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545519497 341128192 /nfs/dbraw/zinc/12/81/92/341128192.db2.gz NHLQTQKEFCKDCP-UHFFFAOYSA-N 0 3 315.373 3.872 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000245383756 341290170 /nfs/dbraw/zinc/29/01/70/341290170.db2.gz RHNORRUFCPBXTA-WMLDXEAASA-N 0 3 311.385 3.842 20 5 DHBDHN Cc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000549407688 341293605 /nfs/dbraw/zinc/29/36/05/341293605.db2.gz IGMYOJUBJZPMOA-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000154093746 341584538 /nfs/dbraw/zinc/58/45/38/341584538.db2.gz AYTUKJSABMPBON-LRDDRELGSA-N 0 3 324.421 3.705 20 5 DHBDHN CCC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000272981029 341632410 /nfs/dbraw/zinc/63/24/10/341632410.db2.gz YCGQKSBLYLKRAP-UHFFFAOYSA-N 0 3 312.797 3.545 20 5 DHBDHN CCC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000175866761 341849393 /nfs/dbraw/zinc/84/93/93/341849393.db2.gz FZHLFPGPSCEFKL-UHFFFAOYSA-N 0 3 317.414 3.998 20 5 DHBDHN CC[C@H](NCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000156966451 522598522 /nfs/dbraw/zinc/59/85/22/522598522.db2.gz UDDPJTIGOYVIMN-SFHVURJKSA-N 0 3 314.385 3.852 20 5 DHBDHN COc1cccc2c1CC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802185 524227476 /nfs/dbraw/zinc/22/74/76/524227476.db2.gz VNJBSFKQZNLYAX-YVEFUNNKSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1ccsc1[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000186153279 524886592 /nfs/dbraw/zinc/88/65/92/524886592.db2.gz KBHWQBLUGUEWJQ-NSHDSACASA-N 0 3 306.387 3.558 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000249888201 526085519 /nfs/dbraw/zinc/08/55/19/526085519.db2.gz PVDFUCDBRLPHHT-TZMCWYRMSA-N 0 3 317.414 3.992 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OCC2CC2)CC1 ZINC000364976837 526090544 /nfs/dbraw/zinc/09/05/44/526090544.db2.gz FYZFFMZGQBXVBH-AWEZNQCLSA-N 0 3 318.417 3.855 20 5 DHBDHN Cc1csc([C@H](NCCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181613963 526439083 /nfs/dbraw/zinc/43/90/83/526439083.db2.gz HLOZSRJRQLHFCR-OAHLLOKOSA-N 0 3 317.414 3.643 20 5 DHBDHN Cc1nc2c(s1)CCC[C@@H]2CNCc1ccccc1[N+](=O)[O-] ZINC000366402791 527103426 /nfs/dbraw/zinc/10/34/26/527103426.db2.gz KHYPQYSXBGNWLA-CYBMUJFWSA-N 0 3 317.414 3.569 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000517736057 1013053983 /nfs/dbraw/zinc/05/39/83/1013053983.db2.gz FPRJVBYVXZNZBD-XJKSGUPXSA-N 0 3 324.808 3.639 20 5 DHBDHN CC[C@H](C)CN(CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177856475 1014436430 /nfs/dbraw/zinc/43/64/30/1014436430.db2.gz DYWOUPCXCMOYFJ-LBPRGKRZSA-N 0 3 318.377 3.513 20 5 DHBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1Br)C1(C)CC1 ZINC000706939399 1014764109 /nfs/dbraw/zinc/76/41/09/1014764109.db2.gz XVOSQQWQDLNTHG-VIFPVBQESA-N 0 3 313.195 3.636 20 5 DHBDHN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)C1 ZINC000127263126 1015256061 /nfs/dbraw/zinc/25/60/61/1015256061.db2.gz YJRIKRLDZAWVPY-NWDGAFQWSA-N 0 3 303.362 3.604 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000538457234 1016122278 /nfs/dbraw/zinc/12/22/78/1016122278.db2.gz PHONAJJBZPANSG-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1scnc1C1CC1 ZINC000338957320 1016774468 /nfs/dbraw/zinc/77/44/68/1016774468.db2.gz YTULHAOBZKSNFW-UHFFFAOYSA-N 0 3 317.414 3.603 20 5 DHBDHN CC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000847018559 1032178622 /nfs/dbraw/zinc/17/86/22/1032178622.db2.gz FTEBZMJLMWXHLD-SJORKVTESA-N 0 3 318.348 3.508 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](OC(C)C)C1 ZINC000593053778 1032501658 /nfs/dbraw/zinc/50/16/58/1032501658.db2.gz MGVLPUWRFBJBQZ-ZBFHGGJFSA-N 0 3 306.406 3.854 20 5 DHBDHN CCN(CCc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000515545851 1012656800 /nfs/dbraw/zinc/65/68/00/1012656800.db2.gz BAEJZTGESPSZMJ-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN CCSC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000700855692 1017967282 /nfs/dbraw/zinc/96/72/82/1017967282.db2.gz CGVGTCQRKPFCLH-UHFFFAOYSA-N 0 3 300.811 3.624 20 5 DHBDHN C[C@@H](NCCOc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173398963 1018195776 /nfs/dbraw/zinc/19/57/76/1018195776.db2.gz NDDJLRSJVFXYHJ-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN COc1ccc(-c2ccc(CN3[C@@H](C)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000527238446 1018535977 /nfs/dbraw/zinc/53/59/77/1018535977.db2.gz DIWQGKXSTJJHHJ-RYUDHWBXSA-N 0 3 316.357 3.846 20 5 DHBDHN Cc1c(CNCc2ccc3c(c2)C[C@H](C)O3)cccc1[N+](=O)[O-] ZINC000922048697 1019362824 /nfs/dbraw/zinc/36/28/24/1019362824.db2.gz LIJHTAZYZRAKBO-LBPRGKRZSA-N 0 3 312.369 3.516 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccccn2)CC1 ZINC000611090540 1019398143 /nfs/dbraw/zinc/39/81/43/1019398143.db2.gz HMSYSGSQJHARDT-AWEZNQCLSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370313 1019456317 /nfs/dbraw/zinc/45/63/17/1019456317.db2.gz XTNLSBYLSWTMIF-JSGCOSHPSA-N 0 3 317.414 3.904 20 5 DHBDHN CSCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000128211428 1019467565 /nfs/dbraw/zinc/46/75/65/1019467565.db2.gz TWUGDBLVDLLYSP-UHFFFAOYSA-N 0 3 306.387 3.650 20 5 DHBDHN C[C@@H]1CC[C@H](C(F)(F)F)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555045 1019517109 /nfs/dbraw/zinc/51/71/09/1019517109.db2.gz KJEPFHNUOFOWTF-YPMHNXCESA-N 0 3 316.323 3.800 20 5 DHBDHN Cc1cnc(CCN(C)C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000255885886 1019634917 /nfs/dbraw/zinc/63/49/17/1019634917.db2.gz CCDRQKYVTAFODF-ALCCZGGFSA-N 0 3 317.414 3.547 20 5 DHBDHN C[C@H](CN(C)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000727427990 1019713107 /nfs/dbraw/zinc/71/31/07/1019713107.db2.gz LCBBYBJGAFNRID-CQSZACIVSA-N 0 3 324.384 3.638 20 5 DHBDHN CCOC[C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093419236 1020151786 /nfs/dbraw/zinc/15/17/86/1020151786.db2.gz DIVWEFWPDRSIDR-INIZCTEOSA-N 0 3 320.433 3.967 20 5 DHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000613184896 1020844552 /nfs/dbraw/zinc/84/45/52/1020844552.db2.gz SKIGMMJKWRUZNB-TZMCWYRMSA-N 0 3 317.414 3.589 20 5 DHBDHN CN(C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000580779071 1020860279 /nfs/dbraw/zinc/86/02/79/1020860279.db2.gz WBIDKTIMWKJPAV-OAHLLOKOSA-N 0 3 321.327 3.588 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOC2CCC2)o1 ZINC000742386601 1021109547 /nfs/dbraw/zinc/10/95/47/1021109547.db2.gz JBBYBDHKJMSZSS-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCSC(F)(F)F ZINC000850425553 1021525144 /nfs/dbraw/zinc/52/51/44/1021525144.db2.gz NSERMUCSKLVYQL-MRVPVSSYSA-N 0 3 324.324 3.507 20 5 DHBDHN CC([C@@H](OC(=O)[C@H]1CCC1(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851107902 1021740772 /nfs/dbraw/zinc/74/07/72/1021740772.db2.gz FCNYUTRFLTUAPE-MPKXVKKWSA-N 0 3 309.337 3.511 20 5 DHBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2c(Cl)cccc2Cl)C1 ZINC001168958763 1022202100 /nfs/dbraw/zinc/20/21/00/1022202100.db2.gz PGWWUXOKDDXLPS-UWVGGRQHSA-N 0 3 303.189 3.528 20 5 DHBDHN CCOc1cc(CN2CC[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000617201097 1022889106 /nfs/dbraw/zinc/88/91/06/1022889106.db2.gz FJAYOZXIIDBFDP-CQSZACIVSA-N 0 3 316.357 3.576 20 5 DHBDHN CCC(CC)N(CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746666080 1023779712 /nfs/dbraw/zinc/77/97/12/1023779712.db2.gz INKWEBXTNRDRNY-UHFFFAOYSA-N 0 3 314.813 3.885 20 5 DHBDHN CCS[C@H]1CCCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787308492 1023785801 /nfs/dbraw/zinc/78/58/01/1023785801.db2.gz SEDSLYPLNJMGHG-HIFRSBDPSA-N 0 3 312.410 3.888 20 5 DHBDHN C[C@H](NCc1ccc2ncccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788806946 1023936727 /nfs/dbraw/zinc/93/67/27/1023936727.db2.gz QOPMOAYBOCFILY-LBPRGKRZSA-N 0 3 322.368 3.576 20 5 DHBDHN CC(C)[C@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270582654 1024405973 /nfs/dbraw/zinc/40/59/73/1024405973.db2.gz IXJKMSAMGJPZNS-LBPRGKRZSA-N 0 3 303.362 3.726 20 5 DHBDHN CC[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728895902 1024782515 /nfs/dbraw/zinc/78/25/15/1024782515.db2.gz DEBDONZSPJQAFX-AWEZNQCLSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@H](NC[C@@H]1CCCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000927013225 1033248393 /nfs/dbraw/zinc/24/83/93/1033248393.db2.gz CUYQDBSCAVISJV-KBPBESRZSA-N 0 3 304.390 3.737 20 5 DHBDHN CC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000353703790 1025206262 /nfs/dbraw/zinc/20/62/62/1025206262.db2.gz AWFQEDRGVYRWRM-CYBMUJFWSA-N 0 3 322.405 3.624 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000804812674 1025486433 /nfs/dbraw/zinc/48/64/33/1025486433.db2.gz KQHXSIIHWGOHMQ-GXTWGEPZSA-N 0 3 323.824 3.620 20 5 DHBDHN CCC1CCC(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])CC1 ZINC000356919991 1026225168 /nfs/dbraw/zinc/22/51/68/1026225168.db2.gz OSFGBAKDWYDUPW-UHFFFAOYSA-N 0 3 322.405 3.615 20 5 DHBDHN C[C@@H]1[C@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000419367605 1026272652 /nfs/dbraw/zinc/27/26/52/1026272652.db2.gz DHIBKNAFUPOZDT-UPJWGTAASA-N 0 3 315.373 3.726 20 5 DHBDHN C[C@@H]1CSC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017404 1026664444 /nfs/dbraw/zinc/66/44/44/1026664444.db2.gz XAVVRTNYIUJUMK-HQJQHLMTSA-N 0 3 321.229 3.743 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2cnccc21 ZINC000362561753 1027287543 /nfs/dbraw/zinc/28/75/43/1027287543.db2.gz UULMMXBMNKTNNY-UHFFFAOYSA-N 0 3 309.247 3.703 20 5 DHBDHN COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158646340 1027600878 /nfs/dbraw/zinc/60/08/78/1027600878.db2.gz SQJIBFLULLKREE-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CC[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159713 1028421648 /nfs/dbraw/zinc/42/16/48/1028421648.db2.gz IJXCTCHXXNLZEF-WCQYABFASA-N 0 3 305.403 3.723 20 5 DHBDHN Cc1ccnc([C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582357 1028479462 /nfs/dbraw/zinc/47/94/62/1028479462.db2.gz CCPPDSMJDDGQQH-GJZGRUSLSA-N 0 3 311.385 3.849 20 5 DHBDHN C[C@@H]1CCCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187961782 1028488312 /nfs/dbraw/zinc/48/83/12/1028488312.db2.gz VUNDXRQOUZSHHU-CYBMUJFWSA-N 0 3 315.373 3.872 20 5 DHBDHN Cc1ncc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496008 1028710929 /nfs/dbraw/zinc/71/09/29/1028710929.db2.gz FTHIYXHXDUZBLP-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN CC1(C)[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451479595 1029880717 /nfs/dbraw/zinc/88/07/17/1029880717.db2.gz NQPJXGKOUJYDHZ-BPLDGKMQSA-N 0 3 324.808 3.541 20 5 DHBDHN CCC(=O)CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550484 1029911934 /nfs/dbraw/zinc/91/19/34/1029911934.db2.gz RXOWRMXIERCNQW-OAHLLOKOSA-N 0 3 304.390 3.534 20 5 DHBDHN CCO[C@@H]1C[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793184 1030192032 /nfs/dbraw/zinc/19/20/32/1030192032.db2.gz GRJAFCZXXGBMFT-DLBZAZTESA-N 0 3 318.417 3.683 20 5 DHBDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000866540079 1030360834 /nfs/dbraw/zinc/36/08/34/1030360834.db2.gz VDSLIPVZEONZLV-ZDUSSCGKSA-N 0 3 312.369 3.784 20 5 DHBDHN CC1(C)SC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558790752 1030810409 /nfs/dbraw/zinc/81/04/09/1030810409.db2.gz OHAGLSWCGCTTTC-HNNXBMFYSA-N 0 3 318.398 3.838 20 5 DHBDHN C[C@@H]1Cc2cc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917930 1030992937 /nfs/dbraw/zinc/99/29/37/1030992937.db2.gz FCBMOPMSUCGXCV-PXAZEXFGSA-N 0 3 324.380 3.695 20 5 DHBDHN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000121950291 1031006585 /nfs/dbraw/zinc/00/65/85/1031006585.db2.gz GEEKDSPKCJTXGH-PXAZEXFGSA-N 0 3 312.369 3.942 20 5 DHBDHN COc1cc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559000 1031029682 /nfs/dbraw/zinc/02/96/82/1031029682.db2.gz OYNCHYPWQOEQOH-CXAGYDPISA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1([C@@H]2CCCCO2)CC1 ZINC000927161082 1031123703 /nfs/dbraw/zinc/12/37/03/1031123703.db2.gz OOHHMNITAFIBDA-BBRMVZONSA-N 0 3 304.390 3.656 20 5 DHBDHN Cc1ccc([C@H](C)NC2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160534 1031124528 /nfs/dbraw/zinc/12/45/28/1031124528.db2.gz CRPIHKYHLHWGMB-BBRMVZONSA-N 0 3 304.390 3.656 20 5 DHBDHN COc1cc(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000360052926 1031259230 /nfs/dbraw/zinc/25/92/30/1031259230.db2.gz KWLKVQMQTRCOOA-STQMWFEESA-N 0 3 322.405 3.615 20 5 DHBDHN Cc1nc(C)c(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872033228 1031417183 /nfs/dbraw/zinc/41/71/83/1031417183.db2.gz AJYSQCBNBBUHNS-SNVBAGLBSA-N 0 3 323.393 3.701 20 5 DHBDHN CC(C)[C@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048049 1031436201 /nfs/dbraw/zinc/43/62/01/1031436201.db2.gz WVSHZUBAIQUXIB-YWPYICTPSA-N 0 3 310.369 3.588 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOC(F)(F)F ZINC000872065175 1031460720 /nfs/dbraw/zinc/46/07/20/1031460720.db2.gz VCSHBCVKUKJLCQ-MRVPVSSYSA-N 0 3 324.324 3.504 20 5 DHBDHN CO[C@@H]1CCC[C@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872076634 1031472364 /nfs/dbraw/zinc/47/23/64/1031472364.db2.gz OSHNBXALYYRWCD-LERXQTSPSA-N 0 3 310.419 3.535 20 5 DHBDHN CC[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000537291559 1031555926 /nfs/dbraw/zinc/55/59/26/1031555926.db2.gz QHJLXYBCXZSIPJ-ZDUSSCGKSA-N 0 3 318.377 3.559 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872260329 1031563756 /nfs/dbraw/zinc/56/37/56/1031563756.db2.gz MIXXLXARLOVYKY-KRWDZBQOSA-N 0 3 304.390 3.518 20 5 DHBDHN Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845879406 1031750646 /nfs/dbraw/zinc/75/06/46/1031750646.db2.gz USIXOPWFFCRJPF-XHDPSFHLSA-N 0 3 321.304 3.599 20 5 DHBDHN CCC[C@@H]1C[C@H]1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876997 1031752327 /nfs/dbraw/zinc/75/23/27/1031752327.db2.gz CVHVSEWJVVRPBR-CVMIBZJCSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845884579 1031755139 /nfs/dbraw/zinc/75/51/39/1031755139.db2.gz ZZYCHSAUEIHJGZ-HZMBPMFUSA-N 0 3 323.345 3.759 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000846106146 1031880879 /nfs/dbraw/zinc/88/08/79/1031880879.db2.gz YBOHLIDOIOWJBR-SNVBAGLBSA-N 0 3 321.179 3.798 20 5 DHBDHN CCCN(CCC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777951127 1032018319 /nfs/dbraw/zinc/01/83/19/1032018319.db2.gz GUFJEGMXZJCDMC-UHFFFAOYSA-N 0 3 302.378 3.538 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](c1ccncc1)C1CC1 ZINC000898321592 1032020463 /nfs/dbraw/zinc/02/04/63/1032020463.db2.gz SWTNKFXFNVAEIT-SJLPKXTDSA-N 0 3 309.369 3.718 20 5 DHBDHN CC[C@@H](N[C@@H](c1cnn(C)c1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000927064950 1033483708 /nfs/dbraw/zinc/48/37/08/1033483708.db2.gz BMZHWMBYZYPPSG-IAGOWNOFSA-N 0 3 316.405 3.766 20 5 DHBDHN CC([C@@H](OC(=O)[C@H]1CCCC12CC2)c1ccccc1F)[N+](=O)[O-] ZINC000860854595 1033513426 /nfs/dbraw/zinc/51/34/26/1033513426.db2.gz DLHIBGPIEIINDD-UXIGCNINSA-N 0 3 321.348 3.656 20 5 DHBDHN CCCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC000878007018 1033552248 /nfs/dbraw/zinc/55/22/48/1033552248.db2.gz HXXZLUOGSUAVNU-UHFFFAOYSA-N 0 3 318.377 3.513 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCCC[C@@H]2C)c1F ZINC001173190082 1033584284 /nfs/dbraw/zinc/58/42/84/1033584284.db2.gz QAZOKDWCAKDRLF-STQMWFEESA-N 0 3 324.396 3.938 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](C)c2ccoc2)c1F ZINC001173185664 1033584637 /nfs/dbraw/zinc/58/46/37/1033584637.db2.gz CGFXKSNLKHLSID-WDEREUQCSA-N 0 3 322.336 3.617 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)cccc1F ZINC001173217303 1033597691 /nfs/dbraw/zinc/59/76/91/1033597691.db2.gz SFLRLCGTRFSWBD-LLVKDONJSA-N 0 3 306.312 3.594 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1F ZINC001173227230 1033605793 /nfs/dbraw/zinc/60/57/93/1033605793.db2.gz OQOCDWGBYDQYMG-ZDUSSCGKSA-N 0 3 302.349 3.797 20 5 DHBDHN Cc1csc([C@@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008871 1034180083 /nfs/dbraw/zinc/18/00/83/1034180083.db2.gz FEUVCIYZTSUUGC-QWHCGFSZSA-N 0 3 317.414 3.910 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nccs2)C1 ZINC000880318356 1034294257 /nfs/dbraw/zinc/29/42/57/1034294257.db2.gz YCVSEPOFYWYQKR-NWDGAFQWSA-N 0 3 303.387 3.602 20 5 DHBDHN CCN(CC1CCC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000794682725 1034340985 /nfs/dbraw/zinc/34/09/85/1034340985.db2.gz JRZOOETVLHKZDP-UHFFFAOYSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@@H]1CC[C@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909528 1035794764 /nfs/dbraw/zinc/79/47/64/1035794764.db2.gz JUUXEONIOMPBTQ-TXEJJXNPSA-N 0 3 301.346 3.623 20 5 DHBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@@H]1OC ZINC001194093282 1035844484 /nfs/dbraw/zinc/84/44/84/1035844484.db2.gz UDSRESFVIYQPKY-XZJROXQQSA-N 0 3 324.396 3.663 20 5 DHBDHN CCCCO[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193310 1035871395 /nfs/dbraw/zinc/87/13/95/1035871395.db2.gz SMYRPZIGKZKIOO-CVEARBPZSA-N 0 3 306.406 3.668 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000539829625 1035884457 /nfs/dbraw/zinc/88/44/57/1035884457.db2.gz PUWYCCHLTAAPSH-FUHWJXTLSA-N 0 3 308.381 3.757 20 5 DHBDHN CCN(Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000540910988 1036185610 /nfs/dbraw/zinc/18/56/10/1036185610.db2.gz XNGZJPOUMLSSNZ-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C2CCC2)C1 ZINC001196254882 1036482872 /nfs/dbraw/zinc/48/28/72/1036482872.db2.gz PIYQUJVLVDQSDD-CQSZACIVSA-N 0 3 304.390 3.616 20 5 DHBDHN CCC[C@@H](CCO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001183335171 1036576336 /nfs/dbraw/zinc/57/63/36/1036576336.db2.gz HNCZYTRUOCQOEN-NSHDSACASA-N 0 3 321.204 3.542 20 5 DHBDHN CN(CC1CCCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626829 1036595866 /nfs/dbraw/zinc/59/58/66/1036595866.db2.gz JVKTWDIJIJNNRI-UHFFFAOYSA-N 0 3 322.796 3.677 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3C[C@H]3C3CCCC3)nc2c1 ZINC001184388400 1036830075 /nfs/dbraw/zinc/83/00/75/1036830075.db2.gz QDCAGYVGQAHVDM-JSGCOSHPSA-N 0 3 315.373 3.652 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCCc2ccccc2)c1 ZINC000035368171 1037083388 /nfs/dbraw/zinc/08/33/88/1037083388.db2.gz RYTJKJWBLWPDMI-UHFFFAOYSA-N 0 3 304.777 3.971 20 5 DHBDHN Cc1cc(NCCc2ccncc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000322470850 1037212959 /nfs/dbraw/zinc/21/29/59/1037212959.db2.gz OJQTZHVGSPDNSX-UHFFFAOYSA-N 0 3 308.341 3.501 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC001186872264 1037509418 /nfs/dbraw/zinc/50/94/18/1037509418.db2.gz LQQSXBJBVNAUGU-CABCVRRESA-N 0 3 309.797 3.677 20 5 DHBDHN CC(C)CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000029724603 1037892940 /nfs/dbraw/zinc/89/29/40/1037892940.db2.gz YCKMCMRUSKSPOM-UHFFFAOYSA-N 0 3 318.377 3.511 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067103 1038224442 /nfs/dbraw/zinc/22/44/42/1038224442.db2.gz TXZYQDVJOGTZHZ-GHMZBOCLSA-N 0 3 309.391 3.791 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2cccnc2)CC1 ZINC000589196109 1038447881 /nfs/dbraw/zinc/44/78/81/1038447881.db2.gz CYWSDJZMMVWHRT-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN CC[C@H]1CCCCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502096 1038488545 /nfs/dbraw/zinc/48/85/45/1038488545.db2.gz LWVYGEQTMWDFPE-HNNXBMFYSA-N 0 3 320.389 3.536 20 5 DHBDHN CC[C@H](OCCNCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593664456 1038999000 /nfs/dbraw/zinc/99/90/00/1038999000.db2.gz NUXJVUGAFJGUHQ-SFHVURJKSA-N 0 3 314.385 3.852 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000603850880 1039186309 /nfs/dbraw/zinc/18/63/09/1039186309.db2.gz HIYDPYGJKWRZIY-KRWDZBQOSA-N 0 3 314.360 3.941 20 5 DHBDHN CCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000594922921 1039930487 /nfs/dbraw/zinc/93/04/87/1039930487.db2.gz CGYBVTJACGSYRA-UHFFFAOYSA-N 0 3 300.358 3.592 20 5 DHBDHN COCc1csc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594941341 1039958176 /nfs/dbraw/zinc/95/81/76/1039958176.db2.gz SEOFJZLJHROQKF-LBPRGKRZSA-N 0 3 320.414 3.962 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCOC1CCCC1 ZINC000595017934 1039978450 /nfs/dbraw/zinc/97/84/50/1039978450.db2.gz XVMKKFABHLZNDJ-CYBMUJFWSA-N 0 3 322.405 3.603 20 5 DHBDHN CC(C)(C)O[C@H]1C[C@@H](NCc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989605 1040004544 /nfs/dbraw/zinc/00/45/44/1040004544.db2.gz VCRTYKLEPUCUHL-OLZOCXBDSA-N 0 3 324.446 3.872 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)c1nccs1 ZINC000595031491 1040038853 /nfs/dbraw/zinc/03/88/53/1040038853.db2.gz HNDHXQGQIWHGST-WDEREUQCSA-N 0 3 321.402 3.514 20 5 DHBDHN Cc1noc(CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595507087 1040155773 /nfs/dbraw/zinc/15/57/73/1040155773.db2.gz JVWOEXZJMKVCGG-UXIGCNINSA-N 0 3 315.373 3.658 20 5 DHBDHN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000595818785 1040248692 /nfs/dbraw/zinc/24/86/92/1040248692.db2.gz JHYXIIWSXAJBDX-WHXUTIOJSA-N 0 3 316.323 3.879 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2ccco2)CC1 ZINC000597180263 1040681400 /nfs/dbraw/zinc/68/14/00/1040681400.db2.gz PTXIQIBTAYOUGD-UHFFFAOYSA-N 0 3 300.358 3.876 20 5 DHBDHN CC(C)(F)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602712456 1041173229 /nfs/dbraw/zinc/17/32/29/1041173229.db2.gz WUMULGSDLLBQCU-UHFFFAOYSA-N 0 3 308.275 3.841 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCC2(CCSCC2)CC1 ZINC000602738094 1041190206 /nfs/dbraw/zinc/19/02/06/1041190206.db2.gz ZISDEFSGCCRHTQ-UHFFFAOYSA-N 0 3 306.431 3.704 20 5 DHBDHN CCC(CC)(CC)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000081156331 192230460 /nfs/dbraw/zinc/23/04/60/192230460.db2.gz CNCXMHJBUKCSBW-UHFFFAOYSA-N 0 3 318.377 3.703 20 5 DHBDHN CCOC1CC2(C1)CCN([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000285498420 535399513 /nfs/dbraw/zinc/39/95/13/535399513.db2.gz MYISKOXVHYBGLP-TUBUQKNSSA-N 0 3 304.390 3.547 20 5 DHBDHN CCCO[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093316821 193229743 /nfs/dbraw/zinc/22/97/43/193229743.db2.gz VJOCPNJQWAXQGF-ZGRWHYIRSA-N 0 3 318.417 3.889 20 5 DHBDHN CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000057364281 184036256 /nfs/dbraw/zinc/03/62/56/184036256.db2.gz ANQZYZRUCQOEHX-SFHVURJKSA-N 0 3 313.401 3.872 20 5 DHBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000286731836 131247926 /nfs/dbraw/zinc/24/79/26/131247926.db2.gz HFFIFVKXOGXYPZ-UHFFFAOYSA-N 0 3 302.296 3.744 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2ccncc2)C1 ZINC000289288954 131370764 /nfs/dbraw/zinc/37/07/64/131370764.db2.gz HABAVYMTCUJVFY-PBHICJAKSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000289288957 131370945 /nfs/dbraw/zinc/37/09/45/131370945.db2.gz HABAVYMTCUJVFY-RHSMWYFYSA-N 0 3 311.385 3.930 20 5 DHBDHN CCOCCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179955229 331552972 /nfs/dbraw/zinc/55/29/72/331552972.db2.gz ZTQDOXNGTDNFIK-SFHVURJKSA-N 0 3 314.385 3.700 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](Nc2ccccc2)C1 ZINC000092757726 332164851 /nfs/dbraw/zinc/16/48/51/332164851.db2.gz NLWRKZBQAGOLPL-IWHGQQBYSA-N 0 3 323.396 3.794 20 5 DHBDHN CC(C)[C@H](CC(F)(F)F)NCCOc1ccccc1[N+](=O)[O-] ZINC000445893152 333231980 /nfs/dbraw/zinc/23/19/80/333231980.db2.gz HXRJSOZGIOSOJT-NSHDSACASA-N 0 3 320.311 3.540 20 5 DHBDHN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186613110 333375418 /nfs/dbraw/zinc/37/54/18/333375418.db2.gz ZWZJQUUSVVNNMT-CYBMUJFWSA-N 0 3 314.385 3.673 20 5 DHBDHN C[C@@H](NCCCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000320268842 333487015 /nfs/dbraw/zinc/48/70/15/333487015.db2.gz DONGCTZEUIRCOW-OAHLLOKOSA-N 0 3 313.401 3.772 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701767 333547836 /nfs/dbraw/zinc/54/78/36/333547836.db2.gz FZFFFINPUBHVLI-KDOFPFPSSA-N 0 3 314.385 3.942 20 5 DHBDHN CO[C@@](C)([C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943300 333714787 /nfs/dbraw/zinc/71/47/87/333714787.db2.gz IUMZJIIJGULSOE-BMIGLBTASA-N 0 3 312.797 3.541 20 5 DHBDHN C[C@@H](N[C@@H]1C[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000414165310 333916016 /nfs/dbraw/zinc/91/60/16/333916016.db2.gz CASPTJWAOPAODS-XQAQDONZSA-N 0 3 300.333 3.941 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000272339037 334033305 /nfs/dbraw/zinc/03/33/05/334033305.db2.gz OFILBCXUOHWQDT-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1cccc2c1CCCN2 ZINC000415046408 334261236 /nfs/dbraw/zinc/26/12/36/334261236.db2.gz ZMRLZOPNXCBUQV-UHFFFAOYSA-N 0 3 311.385 3.551 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2ccc(F)cc2)c(Cl)c1 ZINC000049963105 334359647 /nfs/dbraw/zinc/35/96/47/334359647.db2.gz JMCICNVGACNEQV-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN CC[C@@H](NCc1c(C)nc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000342254191 334520583 /nfs/dbraw/zinc/52/05/83/334520583.db2.gz BJCIBDPGJDROMC-MRXNPFEDSA-N 0 3 324.384 3.792 20 5 DHBDHN C[C@@H]1CC[C@H](CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377070 334765596 /nfs/dbraw/zinc/76/55/96/334765596.db2.gz RPPJLKLEHUESKY-VMGRFDJRSA-N 0 3 304.390 3.519 20 5 DHBDHN CCc1nc(C)c([C@@H](C)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000344069123 335214781 /nfs/dbraw/zinc/21/47/81/335214781.db2.gz UBZHAXHJOYJJJY-LLVKDONJSA-N 0 3 319.430 3.815 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344110999 335224117 /nfs/dbraw/zinc/22/41/17/335224117.db2.gz TXXOALZGRSINJF-BRWVUGGUSA-N 0 3 318.417 3.983 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCSC2)o1 ZINC000344713251 335274943 /nfs/dbraw/zinc/27/49/43/335274943.db2.gz CBYWDPVEUSYLBK-LBPRGKRZSA-N 0 3 318.398 3.840 20 5 DHBDHN Cc1nc2c(s1)[C@H](NCc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000331757839 336147436 /nfs/dbraw/zinc/14/74/36/336147436.db2.gz AQJJSKUKNXUDHB-CYBMUJFWSA-N 0 3 317.414 3.835 20 5 DHBDHN COCC[C@@H]1CCCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341290 336169219 /nfs/dbraw/zinc/16/92/19/336169219.db2.gz QWOFVUCYDRVDDJ-CABCVRRESA-N 0 3 306.406 3.794 20 5 DHBDHN CO[C@@H](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685073 336230353 /nfs/dbraw/zinc/23/03/53/336230353.db2.gz RJGZHIOCRPYAQT-KBXCAEBGSA-N 0 3 314.385 3.699 20 5 DHBDHN CCSCC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780896 336236030 /nfs/dbraw/zinc/23/60/30/336236030.db2.gz WIGKLTUBNLKJNI-GFCCVEGCSA-N 0 3 312.435 3.567 20 5 DHBDHN C[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000324661938 336241678 /nfs/dbraw/zinc/24/16/78/336241678.db2.gz GRXGHKMFGXRMQG-CYBMUJFWSA-N 0 3 322.368 3.836 20 5 DHBDHN O=[N+]([O-])c1ccccc1N[C@@H](CN1CCCC1)c1ccccc1 ZINC000301057464 336287698 /nfs/dbraw/zinc/28/76/98/336287698.db2.gz BGAAXKTYMVAKEU-KRWDZBQOSA-N 0 3 311.385 3.844 20 5 DHBDHN Cc1cc(N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970289 336340591 /nfs/dbraw/zinc/34/05/91/336340591.db2.gz DHPNWWIUAIUYNL-WMZOPIPTSA-N 0 3 311.385 3.761 20 5 DHBDHN Cc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])N(C)C)cc1 ZINC000301977240 336340901 /nfs/dbraw/zinc/34/09/01/336340901.db2.gz DHYSVCQPLCCJRZ-CQSZACIVSA-N 0 3 305.403 3.680 20 5 DHBDHN CN1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000302797410 336369446 /nfs/dbraw/zinc/36/94/46/336369446.db2.gz ANMPALCOCWECLY-CVEARBPZSA-N 0 3 315.348 3.591 20 5 DHBDHN CN1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000302797413 336369530 /nfs/dbraw/zinc/36/95/30/336369530.db2.gz ANMPALCOCWECLY-HZPDHXFCSA-N 0 3 315.348 3.591 20 5 DHBDHN CCOc1ccc([C@H](C)NCC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000193805155 337080312 /nfs/dbraw/zinc/08/03/12/337080312.db2.gz CEMSLSDZLFHZLM-LBPRGKRZSA-N 0 3 324.446 3.930 20 5 DHBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353485 337141007 /nfs/dbraw/zinc/14/10/07/337141007.db2.gz RWMRJIVZRWSEPX-UONOGXRCSA-N 0 3 324.446 3.709 20 5 DHBDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353496 337141042 /nfs/dbraw/zinc/14/10/42/337141042.db2.gz RWMRJIVZRWSEPX-KBPBESRZSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1cccc2c1OC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000514665706 337143936 /nfs/dbraw/zinc/14/39/36/337143936.db2.gz KXZGPXIYKLUSIK-VWTAQGJOSA-N 0 3 324.380 3.510 20 5 DHBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000183817707 337194758 /nfs/dbraw/zinc/19/47/58/337194758.db2.gz HPETYKFEYGWBOZ-YUELXQCFSA-N 0 3 324.808 3.541 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(C)nc(C)c1 ZINC000421382356 337529335 /nfs/dbraw/zinc/52/93/35/337529335.db2.gz NCKYQOAGCKMXOK-QPEQYQDCSA-N 0 3 311.385 3.800 20 5 DHBDHN C[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000247141018 337557940 /nfs/dbraw/zinc/55/79/40/337557940.db2.gz QXDRXFORPQRICL-IAOVAPTHSA-N 0 3 314.389 3.626 20 5 DHBDHN C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000536874735 337788645 /nfs/dbraw/zinc/78/86/45/337788645.db2.gz GARSGLNGRGVDEJ-LBPRGKRZSA-N 0 3 305.403 3.725 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS[C@@H](C)CC1 ZINC000426389399 338030037 /nfs/dbraw/zinc/03/00/37/338030037.db2.gz FDFXPWIBAVPHFZ-UELRPHRMSA-N 0 3 306.431 3.826 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC23CCCC3)c1 ZINC000428553638 338056071 /nfs/dbraw/zinc/05/60/71/338056071.db2.gz YDLWAZNTDDSROR-ZDUSSCGKSA-N 0 3 312.316 3.619 20 5 DHBDHN CC(C)(C)OC(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429239265 338074328 /nfs/dbraw/zinc/07/43/28/338074328.db2.gz TXTFZJBCGUCBMJ-UHFFFAOYSA-N 0 3 322.405 3.541 20 5 DHBDHN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)CO ZINC000430087866 338095571 /nfs/dbraw/zinc/09/55/71/338095571.db2.gz VGGAWDAHNFPJLH-GFCCVEGCSA-N 0 3 320.414 3.526 20 5 DHBDHN CCS[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430235664 338102462 /nfs/dbraw/zinc/10/24/62/338102462.db2.gz FGXGBPKUYGUUCU-OAHLLOKOSA-N 0 3 324.446 3.711 20 5 DHBDHN CC1(C)C[C@@H](NCCc2cscn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281984 338189113 /nfs/dbraw/zinc/18/91/13/338189113.db2.gz LLDKGOHQMHMNMP-OAHLLOKOSA-N 0 3 317.414 3.606 20 5 DHBDHN CC[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000433304636 338190663 /nfs/dbraw/zinc/19/06/63/338190663.db2.gz NYFJCVLNZGNCNU-BBWFWOEESA-N 0 3 318.417 3.864 20 5 DHBDHN C[C@@H](NC[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933729 338195866 /nfs/dbraw/zinc/19/58/66/338195866.db2.gz YRIWHSGMPLBZDU-KDOFPFPSSA-N 0 3 313.401 3.548 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nccs1 ZINC000153438619 338224475 /nfs/dbraw/zinc/22/44/75/338224475.db2.gz VWLIFPOPPGQAAW-NEPJUHHUSA-N 0 3 305.403 3.723 20 5 DHBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCOc1ccccc1 ZINC000434991444 338229148 /nfs/dbraw/zinc/22/91/48/338229148.db2.gz MPSNZVYHSNCVTR-CLFYSBASSA-N 0 3 312.369 3.619 20 5 DHBDHN Cc1c(CN2CCS[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000437531580 338313002 /nfs/dbraw/zinc/31/30/02/338313002.db2.gz AORXFTOLMLNDDK-JKSUJKDBSA-N 0 3 306.431 3.763 20 5 DHBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000439127823 338361900 /nfs/dbraw/zinc/36/19/00/338361900.db2.gz LFZZKPRNANRYLU-PXAZEXFGSA-N 0 3 317.364 3.837 20 5 DHBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000194414923 338526644 /nfs/dbraw/zinc/52/66/44/338526644.db2.gz KFFVJXAJFAJWAC-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN CC1(C)C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598656 338561222 /nfs/dbraw/zinc/56/12/22/338561222.db2.gz IMCUFWSIOWHGAY-HOTGVXAUSA-N 0 3 318.417 3.908 20 5 DHBDHN Cc1csc([C@@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116687 338594787 /nfs/dbraw/zinc/59/47/87/338594787.db2.gz MFCOHJJOFLGYES-ZYHUDNBSSA-N 0 3 305.403 3.642 20 5 DHBDHN CCC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000449477004 338628748 /nfs/dbraw/zinc/62/87/48/338628748.db2.gz WBKDWZWRPVYUGG-OAHLLOKOSA-N 0 3 322.405 3.766 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449617768 338641630 /nfs/dbraw/zinc/64/16/30/338641630.db2.gz ALFSGSTVXHTNEN-HIFRSBDPSA-N 0 3 318.398 3.666 20 5 DHBDHN C[C@H]1CCCC[C@]1(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618790 339038688 /nfs/dbraw/zinc/03/86/88/339038688.db2.gz SZLPAJGPWQTQKP-ZBEGNZNMSA-N 0 3 302.378 3.530 20 5 DHBDHN CC(C)O[C@@H]1C[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408266 339116836 /nfs/dbraw/zinc/11/68/36/339116836.db2.gz YLYCZPOUOGMXEL-DAXOMENPSA-N 0 3 306.406 3.838 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000464096394 339134352 /nfs/dbraw/zinc/13/43/52/339134352.db2.gz YWPMWDCRBHHLPI-HZPDHXFCSA-N 0 3 306.406 3.585 20 5 DHBDHN COc1cc(CN[C@H](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000464493065 339143428 /nfs/dbraw/zinc/14/34/28/339143428.db2.gz KLPIYFGVLFORLW-LLVKDONJSA-N 0 3 310.369 3.801 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000464845771 339157312 /nfs/dbraw/zinc/15/73/12/339157312.db2.gz HFMFXSHOPUEXBA-ZIAGYGMSSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@H](NC[C@H](C)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467835778 339247330 /nfs/dbraw/zinc/24/73/30/339247330.db2.gz YTVNYBRINDYHRD-GJZGRUSLSA-N 0 3 313.401 3.770 20 5 DHBDHN Cc1cccc(OCCN(C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000468396477 339261721 /nfs/dbraw/zinc/26/17/21/339261721.db2.gz CQYOGJFTELYVSO-UHFFFAOYSA-N 0 3 318.348 3.553 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccccc1F ZINC000468641586 339267775 /nfs/dbraw/zinc/26/77/75/339267775.db2.gz DZXFNKWYNZXSSP-UKTHLTGXSA-N 0 3 300.333 3.927 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1scnc1C ZINC000468643808 339267863 /nfs/dbraw/zinc/26/78/63/339267863.db2.gz UFMZOAOVCAZCRZ-IZZDOVSWSA-N 0 3 303.387 3.553 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(CCCC2CCOCC2)C2CC2)c1 ZINC000469898304 339304080 /nfs/dbraw/zinc/30/40/80/339304080.db2.gz PNZHLAALOLOJGF-UHFFFAOYSA-N 0 3 318.417 3.766 20 5 DHBDHN CCC(CC)(CC)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000471215685 339340226 /nfs/dbraw/zinc/34/02/26/339340226.db2.gz LLOKYGFMSOCUJV-UHFFFAOYSA-N 0 3 318.377 3.703 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)OCc1ccccc12 ZINC000473162735 339383371 /nfs/dbraw/zinc/38/33/71/339383371.db2.gz QAALWRSBNJFNHL-AUUYWEPGSA-N 0 3 324.380 3.787 20 5 DHBDHN CC(C)=CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000480286503 339567331 /nfs/dbraw/zinc/56/73/31/339567331.db2.gz DAPVYLXUFMBKLU-UHFFFAOYSA-N 0 3 300.305 3.642 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000483713071 339672352 /nfs/dbraw/zinc/67/23/52/339672352.db2.gz MDPMIBFVTWRSPT-RRQGHBQHSA-N 0 3 318.417 3.902 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138200 339681796 /nfs/dbraw/zinc/68/17/96/339681796.db2.gz OLWFVEIMMMAPDP-PBHICJAKSA-N 0 3 308.422 3.741 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000495421604 339984040 /nfs/dbraw/zinc/98/40/40/339984040.db2.gz STSKZBGWKJQAQJ-DOMZBBRYSA-N 0 3 306.406 3.900 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000973 340205128 /nfs/dbraw/zinc/20/51/28/340205128.db2.gz GTVOXVNNVQAJCC-WMLDXEAASA-N 0 3 311.385 3.842 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000302862968 340284647 /nfs/dbraw/zinc/28/46/47/340284647.db2.gz UMKBLERPEQQHOE-QGZVFWFLSA-N 0 3 311.385 3.671 20 5 DHBDHN CC[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000510950726 340316034 /nfs/dbraw/zinc/31/60/34/340316034.db2.gz JXSCWUYDVJRQKW-CYBMUJFWSA-N 0 3 324.384 3.755 20 5 DHBDHN CSc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511073415 340320087 /nfs/dbraw/zinc/32/00/87/340320087.db2.gz PJNNMUCOKAKBJD-UHFFFAOYSA-N 0 3 316.426 3.991 20 5 DHBDHN CCOc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511082543 340320233 /nfs/dbraw/zinc/32/02/33/340320233.db2.gz SCCBNUWBWIUYHN-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN C[C@@H](c1ccc(F)cc1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511081493 340320239 /nfs/dbraw/zinc/32/02/39/340320239.db2.gz NPPJFICVILRWRU-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN COc1ccc(-c2ccc(CN3CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000511954934 340343741 /nfs/dbraw/zinc/34/37/41/340343741.db2.gz COYSBKQXWUHYRA-LBPRGKRZSA-N 0 3 316.357 3.705 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512113365 340348657 /nfs/dbraw/zinc/34/86/57/340348657.db2.gz IKZXZESGXOMLFV-UPHRSURJSA-N 0 3 304.296 3.676 20 5 DHBDHN COc1cc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000512229345 340353196 /nfs/dbraw/zinc/35/31/96/340353196.db2.gz YXWAUMGANICXPH-OLZOCXBDSA-N 0 3 322.405 3.615 20 5 DHBDHN CCOCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173315420 340362246 /nfs/dbraw/zinc/36/22/46/340362246.db2.gz RETKXWADFSQJNJ-AWEZNQCLSA-N 0 3 314.385 3.982 20 5 DHBDHN Cc1nc(C)c(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173402976 340364283 /nfs/dbraw/zinc/36/42/83/340364283.db2.gz MTXYMWUSMYNUTC-SNVBAGLBSA-N 0 3 305.403 3.561 20 5 DHBDHN C[C@@H]1CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045952 340390525 /nfs/dbraw/zinc/39/05/25/340390525.db2.gz IFVNCBKBDKHHJZ-QMTHXVAHSA-N 0 3 303.387 3.606 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](CO)CC1CCCC1 ZINC000546687649 341178767 /nfs/dbraw/zinc/17/87/67/341178767.db2.gz NHYZYZSYKZMUDU-GDBMZVCRSA-N 0 3 320.433 3.743 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000135164477 341232556 /nfs/dbraw/zinc/23/25/56/341232556.db2.gz OGMUWGCHWUNECN-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@H]1C[C@H]1c1ccc(CNCCc2ccccc2[N+](=O)[O-])o1 ZINC000548723055 341270609 /nfs/dbraw/zinc/27/06/09/341270609.db2.gz OWXBXUZCLLAEMZ-SWLSCSKDSA-N 0 3 300.358 3.644 20 5 DHBDHN CC1(C)SC[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233413 341289216 /nfs/dbraw/zinc/28/92/16/341289216.db2.gz WVRQHIQRXUFXEZ-KGLIPLIRSA-N 0 3 306.431 3.801 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCCO[C@@H](C(C)C)C1 ZINC000552443817 341394030 /nfs/dbraw/zinc/39/40/30/341394030.db2.gz AWMQZGFNFKSRTE-SPQRHKFCSA-N 0 3 318.417 3.745 20 5 DHBDHN CCOc1ccc([C@H](C)NCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000153329235 341535356 /nfs/dbraw/zinc/53/53/56/341535356.db2.gz VKKKSYYGJHGRPH-ZDUSSCGKSA-N 0 3 322.405 3.603 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000154218227 341586656 /nfs/dbraw/zinc/58/66/56/341586656.db2.gz LVFCLQVMLRXEJQ-WCQYABFASA-N 0 3 310.419 3.540 20 5 DHBDHN C[C@H]1C[C@H]1c1ccc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000158017612 341650081 /nfs/dbraw/zinc/65/00/81/341650081.db2.gz BSOSDZFEDAUBAU-BLLLJJGKSA-N 0 3 300.358 3.644 20 5 DHBDHN Cc1cccc2[nH]cc(CCNCc3ccccc3[N+](=O)[O-])c21 ZINC000237742824 518190703 /nfs/dbraw/zinc/19/07/03/518190703.db2.gz QZJPQEXIWXNMAQ-UHFFFAOYSA-N 0 3 309.369 3.717 20 5 DHBDHN CCOC[C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245530240 520117032 /nfs/dbraw/zinc/11/70/32/520117032.db2.gz SHLXBTAPFVQNBG-HUUCEWRRSA-N 0 3 306.406 3.713 20 5 DHBDHN CC[C@@H](C)[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043709 522359972 /nfs/dbraw/zinc/35/99/72/522359972.db2.gz GFJFGXIJEVAANL-NEPJUHHUSA-N 0 3 303.362 3.774 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940722 525731721 /nfs/dbraw/zinc/73/17/21/525731721.db2.gz XGUXUGJVMKIOAF-MLGOLLRUSA-N 0 3 320.414 3.523 20 5 DHBDHN Cc1cnc(CCN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000157834635 525997004 /nfs/dbraw/zinc/99/70/04/525997004.db2.gz OQMMNTOCQGWOCH-GFCCVEGCSA-N 0 3 305.403 3.595 20 5 DHBDHN COc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158646651 526035992 /nfs/dbraw/zinc/03/59/92/526035992.db2.gz ZLPSDRDVCYOSDX-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCC2(CCOCC2)C1 ZINC000266538274 526107417 /nfs/dbraw/zinc/10/74/17/526107417.db2.gz PBWRHQAOLCYKSI-AWEZNQCLSA-N 0 3 304.390 3.548 20 5 DHBDHN Cc1nc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000127669351 526827761 /nfs/dbraw/zinc/82/77/61/526827761.db2.gz MUXHUULGNTZGHN-LLVKDONJSA-N 0 3 305.403 3.561 20 5 DHBDHN COCc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266211441 1013142384 /nfs/dbraw/zinc/14/23/84/1013142384.db2.gz ONCPCNAQZFAZDM-ZDUSSCGKSA-N 0 3 300.358 3.592 20 5 DHBDHN CC1(C)CC[C@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000579489828 1014064865 /nfs/dbraw/zinc/06/48/65/1014064865.db2.gz DRURTFSTJMAUMS-CQSZACIVSA-N 0 3 301.346 3.528 20 5 DHBDHN CCCCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000610447521 1014235306 /nfs/dbraw/zinc/23/53/06/1014235306.db2.gz GKICPCWYUJWPDB-CQSZACIVSA-N 0 3 320.393 3.556 20 5 DHBDHN CO[C@](C)([C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839639198 1014442661 /nfs/dbraw/zinc/44/26/61/1014442661.db2.gz MFXYZHSTHKMBJR-ZUZCIYMTSA-N 0 3 312.797 3.541 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC2(C)C)c1F ZINC001173182531 1033584318 /nfs/dbraw/zinc/58/43/18/1033584318.db2.gz STCYRRCMRCMFPF-LLVKDONJSA-N 0 3 310.369 3.548 20 5 DHBDHN Cc1ccnc([C@@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556928 1014994742 /nfs/dbraw/zinc/99/47/42/1014994742.db2.gz VXPUUJRAXBPUJW-GDBMZVCRSA-N 0 3 311.385 3.849 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)C2CCCCC2)C2CC2)cc1 ZINC000474977606 1015744013 /nfs/dbraw/zinc/74/40/13/1015744013.db2.gz TXSBXSUBEHEIMN-GOSISDBHSA-N 0 3 318.417 3.500 20 5 DHBDHN COc1ccc(CN[C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000098124417 1015790615 /nfs/dbraw/zinc/79/06/15/1015790615.db2.gz LUIKHHBOOAJHJE-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1cccnc1CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000294952151 1032225874 /nfs/dbraw/zinc/22/58/74/1032225874.db2.gz HQUCXIGDUDHZSG-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248695582 1017252415 /nfs/dbraw/zinc/25/24/15/1017252415.db2.gz JOUOSQBQAJLPGC-KUHUBIRLSA-N 0 3 324.380 3.787 20 5 DHBDHN CCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@H](C)C1 ZINC000339646868 1012720252 /nfs/dbraw/zinc/72/02/52/1012720252.db2.gz LCOIFOWSGSQSEA-KBPBESRZSA-N 0 3 308.426 3.509 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457089 1018217054 /nfs/dbraw/zinc/21/70/54/1018217054.db2.gz JKLDAYVCOOLMTL-PXAZEXFGSA-N 0 3 318.348 3.772 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCC1SCCS1 ZINC000693832543 1018786333 /nfs/dbraw/zinc/78/63/33/1018786333.db2.gz WBWSMXJFNRDMMG-UHFFFAOYSA-N 0 3 318.851 3.534 20 5 DHBDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079723885 1019767062 /nfs/dbraw/zinc/76/70/62/1019767062.db2.gz HTPOPFSBHVFRIE-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCc2cccnc21 ZINC000922879816 1020325648 /nfs/dbraw/zinc/32/56/48/1020325648.db2.gz CRZAQDCCWXXZIG-YCOJEUHLSA-N 0 3 309.369 3.670 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136705383 1020613819 /nfs/dbraw/zinc/61/38/19/1020613819.db2.gz TTWPZLZMWDLQNX-CYBMUJFWSA-N 0 3 324.808 3.830 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700837 1021148009 /nfs/dbraw/zinc/14/80/09/1021148009.db2.gz MBMRDASMYMHXLX-OLZOCXBDSA-N 0 3 322.405 3.674 20 5 DHBDHN Cc1ccc(CN2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000414482978 1021492158 /nfs/dbraw/zinc/49/21/58/1021492158.db2.gz YMCLJULAHNVRNJ-UHFFFAOYSA-N 0 3 306.431 3.765 20 5 DHBDHN CC(C)(C)OCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000695264494 1021733244 /nfs/dbraw/zinc/73/32/44/1021733244.db2.gz ZXPYSNNRIUSLNK-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCC3(C4CCC4)CCC3)nc2c1 ZINC001206159399 1033031509 /nfs/dbraw/zinc/03/15/09/1033031509.db2.gz LTPPZSOVUNVMNZ-UHFFFAOYSA-N 0 3 315.373 3.796 20 5 DHBDHN CN(Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005944 1022213395 /nfs/dbraw/zinc/21/33/95/1022213395.db2.gz DKNYITMXFMWXRM-MFKMUULPSA-N 0 3 317.216 3.871 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001169046326 1022229749 /nfs/dbraw/zinc/22/97/49/1022229749.db2.gz KNNAMVYTQGFPSI-JMSVASOKSA-N 0 3 310.344 3.547 20 5 DHBDHN CCn1ccc(CN(C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000616737761 1022762772 /nfs/dbraw/zinc/76/27/72/1022762772.db2.gz SBNXPDRQUAPRIU-GDNBJRDFSA-N 0 3 313.401 3.952 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCC[C@H]2CC2(Cl)Cl)c1 ZINC000856807338 1022874562 /nfs/dbraw/zinc/87/45/62/1022874562.db2.gz NLQWZVKNSHWQBG-VIFPVBQESA-N 0 3 323.607 3.922 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCOc3ccccc31)C2 ZINC000769425127 1023146930 /nfs/dbraw/zinc/14/69/30/1023146930.db2.gz DMDJJHUFWQQSKA-OAHLLOKOSA-N 0 3 324.380 3.519 20 5 DHBDHN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776222 1023937910 /nfs/dbraw/zinc/93/79/10/1023937910.db2.gz KZPQOZWBOOZLRT-GFCCVEGCSA-N 0 3 311.385 3.905 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3C=CCC3)cs2)c1 ZINC000883238933 1024311399 /nfs/dbraw/zinc/31/13/99/1024311399.db2.gz QZWVSQWVMGZCHJ-GFCCVEGCSA-N 0 3 315.398 3.774 20 5 DHBDHN CC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883353354 1024399309 /nfs/dbraw/zinc/39/93/09/1024399309.db2.gz SWFWWIGLRONIMT-OBJOEFQTSA-N 0 3 310.369 3.590 20 5 DHBDHN CC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883353352 1024400539 /nfs/dbraw/zinc/40/05/39/1024400539.db2.gz SWFWWIGLRONIMT-BZPMIXESSA-N 0 3 310.369 3.590 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)C2CC2)cc1F ZINC000283236996 1024613238 /nfs/dbraw/zinc/61/32/38/1024613238.db2.gz UNUQGEVGIILWKW-QGZVFWFLSA-N 0 3 300.333 3.975 20 5 DHBDHN CC[C@H](C)[C@H](C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868211 1024811872 /nfs/dbraw/zinc/81/18/72/1024811872.db2.gz SDTICLKYVXYNEK-RYUDHWBXSA-N 0 3 321.377 3.902 20 5 DHBDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792868908 1024812096 /nfs/dbraw/zinc/81/20/96/1024812096.db2.gz YLZAYXATRFLISS-XUJVJEKNSA-N 0 3 319.361 3.656 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@]2(CCCOC2)C1 ZINC000353746087 1025230350 /nfs/dbraw/zinc/23/03/50/1025230350.db2.gz KVMWYXZBRBPAIX-BHSUKZTGSA-N 0 3 316.401 3.501 20 5 DHBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000539070545 1033268677 /nfs/dbraw/zinc/26/86/77/1033268677.db2.gz MZMNNSDSWANGET-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN CCc1cnc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463651 1025365914 /nfs/dbraw/zinc/36/59/14/1025365914.db2.gz AZPIHSZZJOZBER-LLVKDONJSA-N 0 3 305.403 3.507 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000355785044 1025839694 /nfs/dbraw/zinc/83/96/94/1025839694.db2.gz PBUMXAZBQRHNES-RHSMWYFYSA-N 0 3 304.390 3.548 20 5 DHBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000093764454 1026123854 /nfs/dbraw/zinc/12/38/54/1026123854.db2.gz NYXMRLINIRXZOJ-FNORWQNLSA-N 0 3 317.414 3.629 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560651 1026550570 /nfs/dbraw/zinc/55/05/70/1026550570.db2.gz OJBNBVLCQLYHMH-CVEARBPZSA-N 0 3 322.380 3.561 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420953595 1026893053 /nfs/dbraw/zinc/89/30/53/1026893053.db2.gz TUHYWLCMWXERSN-ZDUSSCGKSA-N 0 3 316.323 3.802 20 5 DHBDHN CC1(C)OCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295125682 1027107026 /nfs/dbraw/zinc/10/70/26/1027107026.db2.gz AIIMKKURWFGDQG-NSHDSACASA-N 0 3 319.188 3.559 20 5 DHBDHN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848636 1027445713 /nfs/dbraw/zinc/44/57/13/1027445713.db2.gz LKJXPVPUZPHMHW-KSSFIOAISA-N 0 3 314.385 3.539 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCCCS1 ZINC000158246812 1027459537 /nfs/dbraw/zinc/45/95/37/1027459537.db2.gz SWVDJPYGSHKPKE-LBPRGKRZSA-N 0 3 300.811 3.624 20 5 DHBDHN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000295973824 1027507321 /nfs/dbraw/zinc/50/73/21/1027507321.db2.gz IXEQWHQDKCWHDE-ZDUSSCGKSA-N 0 3 300.358 3.768 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@]2(CCCCO2)C1 ZINC000365705306 1027993100 /nfs/dbraw/zinc/99/31/00/1027993100.db2.gz PMIGIWMMBSICOL-RHSMWYFYSA-N 0 3 304.390 3.691 20 5 DHBDHN Cc1ccnc([C@@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582365 1028477095 /nfs/dbraw/zinc/47/70/95/1028477095.db2.gz CCPPDSMJDDGQQH-LSDHHAIUSA-N 0 3 311.385 3.849 20 5 DHBDHN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616591 1028572637 /nfs/dbraw/zinc/57/26/37/1028572637.db2.gz SDKKAYFIJDBDBM-SCZZXKLOSA-N 0 3 305.300 3.559 20 5 DHBDHN CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449507820 1028728625 /nfs/dbraw/zinc/72/86/25/1028728625.db2.gz UIEFCTHZTCGGST-DYVFJYSZSA-N 0 3 306.406 3.575 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1cscn1 ZINC000566689016 1028766080 /nfs/dbraw/zinc/76/60/80/1028766080.db2.gz HZSBRYRAIVJULJ-VXGBXAGGSA-N 0 3 305.403 3.723 20 5 DHBDHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889207 1028785628 /nfs/dbraw/zinc/78/56/28/1028785628.db2.gz WSCRLKAFMBNBLU-UONOGXRCSA-N 0 3 312.797 3.541 20 5 DHBDHN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889051 1028785862 /nfs/dbraw/zinc/78/58/62/1028785862.db2.gz WSCRLKAFMBNBLU-ZIAGYGMSSA-N 0 3 312.797 3.541 20 5 DHBDHN CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000569863191 1029277384 /nfs/dbraw/zinc/27/73/84/1029277384.db2.gz MMUMSMBHTXACMA-UHFFFAOYSA-N 0 3 303.362 3.870 20 5 DHBDHN C[C@@H]1C[C@H](C(F)(F)F)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412479 1029869888 /nfs/dbraw/zinc/86/98/88/1029869888.db2.gz WRDJUKOEVREVJV-DGCLKSJQSA-N 0 3 316.323 3.800 20 5 DHBDHN CSc1cc(CNC/C=C\c2ccccc2[N+](=O)[O-])ccn1 ZINC000357368386 1030020051 /nfs/dbraw/zinc/02/00/51/1030020051.db2.gz OBQVPNGHAMRXCN-XQRVVYSFSA-N 0 3 315.398 3.515 20 5 DHBDHN C[C@@H](N[C@H](C)C1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924799500 1030193792 /nfs/dbraw/zinc/19/37/92/1030193792.db2.gz SZNSHFFHYNCYBA-NXEZZACHSA-N 0 3 313.195 3.561 20 5 DHBDHN Cc1noc(C)c1CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042407 1031429071 /nfs/dbraw/zinc/42/90/71/1031429071.db2.gz OJLLJTJMOGYUMV-NSHDSACASA-N 0 3 321.352 3.622 20 5 DHBDHN CC(C)[C@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048048 1031435463 /nfs/dbraw/zinc/43/54/63/1031435463.db2.gz WVSHZUBAIQUXIB-SLEUVZQESA-N 0 3 310.369 3.588 20 5 DHBDHN C[C@@H](NCC1([C@H](C)CCO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054570 1031442507 /nfs/dbraw/zinc/44/25/07/1031442507.db2.gz ZAHXLOZTUJFFPP-CHWSQXEVSA-N 0 3 324.396 3.573 20 5 DHBDHN CC(C)C[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058049 1031448604 /nfs/dbraw/zinc/44/86/04/1031448604.db2.gz MRCQKCNEMDMEIG-BFHYXJOUSA-N 0 3 324.396 3.978 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC=CO1 ZINC000872065218 1031460788 /nfs/dbraw/zinc/46/07/88/1031460788.db2.gz VVSXOYXAZSRWQS-AAEUAGOBSA-N 0 3 308.403 3.660 20 5 DHBDHN CO[C@@H]([C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078839 1031473997 /nfs/dbraw/zinc/47/39/97/1031473997.db2.gz SPSNCRPZFCUGKA-MMPTUQATSA-N 0 3 324.446 3.781 20 5 DHBDHN C[C@@H](NCC[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083888 1031478856 /nfs/dbraw/zinc/47/88/56/1031478856.db2.gz BXCOQWATXMORPP-NOZJJQNGSA-N 0 3 302.296 3.820 20 5 DHBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000537310352 1031568140 /nfs/dbraw/zinc/56/81/40/1031568140.db2.gz HQYQNHAJQOXKGS-ZJNRKIDTSA-N 0 3 312.369 3.638 20 5 DHBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875310 1031747858 /nfs/dbraw/zinc/74/78/58/1031747858.db2.gz BBUGCOVQCUQGLO-FDKDBAQKSA-N 0 3 321.348 3.511 20 5 DHBDHN CC([C@@H](OC(=O)C=C1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877409 1031751045 /nfs/dbraw/zinc/75/10/45/1031751045.db2.gz RPIUWXOGXBJKCQ-BDJLRTHQSA-N 0 3 307.321 3.576 20 5 DHBDHN CCc1occc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882399 1031754300 /nfs/dbraw/zinc/75/43/00/1031754300.db2.gz OSEPGCMCMADOBF-MEBBXXQBSA-N 0 3 321.304 3.544 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCC[C@H]2CC2(Cl)Cl)cs1 ZINC000846101439 1031872994 /nfs/dbraw/zinc/87/29/94/1031872994.db2.gz CUPTZKWJTVHAHM-VIFPVBQESA-N 0 3 309.218 3.720 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCCC[C@H]3C=CCC3)nc2c1 ZINC000877807919 1033460127 /nfs/dbraw/zinc/46/01/27/1033460127.db2.gz YSQCLSKKVFOSAG-LBPRGKRZSA-N 0 3 301.346 3.572 20 5 DHBDHN Cc1cc2c(cn1)CN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172919881 1033467260 /nfs/dbraw/zinc/46/72/60/1033467260.db2.gz HTPWIVFQMRLZJS-GOSISDBHSA-N 0 3 323.396 3.561 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](C)c2ccoc2)c1F ZINC001173185661 1033582949 /nfs/dbraw/zinc/58/29/49/1033582949.db2.gz CGFXKSNLKHLSID-GHMZBOCLSA-N 0 3 322.336 3.617 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](C)CC2)c1F ZINC001173182802 1033584479 /nfs/dbraw/zinc/58/44/79/1033584479.db2.gz UHSVQBQCRJNRLR-QWHCGFSZSA-N 0 3 324.396 3.796 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC001173228382 1033606294 /nfs/dbraw/zinc/60/62/94/1033606294.db2.gz VTXOBXIQDUQEOQ-YPMHNXCESA-N 0 3 316.323 3.800 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(F)cc1F ZINC001173213233 1033614568 /nfs/dbraw/zinc/61/45/68/1033614568.db2.gz HCPXENMUKDHXPG-JTQLQIEISA-N 0 3 324.302 3.733 20 5 DHBDHN Cc1csc([C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010431 1034184467 /nfs/dbraw/zinc/18/44/67/1034184467.db2.gz UEKLCQWLWFWZRN-JSGCOSHPSA-N 0 3 317.414 3.910 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(C)(C)O1 ZINC000480511125 1034276116 /nfs/dbraw/zinc/27/61/16/1034276116.db2.gz LBOKHEKHEHCOKT-INIZCTEOSA-N 0 3 306.406 3.763 20 5 DHBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000252209859 1035941914 /nfs/dbraw/zinc/94/19/14/1035941914.db2.gz WASVFEWCECDWBE-NWDGAFQWSA-N 0 3 311.813 3.781 20 5 DHBDHN CN(CCCc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000485799831 1035973577 /nfs/dbraw/zinc/97/35/77/1035973577.db2.gz JUSLZFFTNFWUEZ-UHFFFAOYSA-N 0 3 302.349 3.799 20 5 DHBDHN CCC[C@@]1(COC)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000773961615 1036072000 /nfs/dbraw/zinc/07/20/00/1036072000.db2.gz SOHKMDRUDHLXRH-INIZCTEOSA-N 0 3 310.369 3.515 20 5 DHBDHN C[C@@H](Cc1ccsc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000541234896 1036267602 /nfs/dbraw/zinc/26/76/02/1036267602.db2.gz RXAXBMGFUJWWNE-LBPRGKRZSA-N 0 3 302.399 3.646 20 5 DHBDHN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC001198407536 1037017266 /nfs/dbraw/zinc/01/72/66/1037017266.db2.gz WGJKCGNFQFQIPZ-NSHDSACASA-N 0 3 301.346 3.528 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCC(=O)OC(C)(C)C ZINC000490090301 1037608960 /nfs/dbraw/zinc/60/89/60/1037608960.db2.gz PXTSDILIFKBKBI-ZDUSSCGKSA-N 0 3 322.405 3.628 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001190528948 1038337192 /nfs/dbraw/zinc/33/71/92/1038337192.db2.gz OPQVZPHOLMXYSS-ZWKOTPCHSA-N 0 3 318.417 3.763 20 5 DHBDHN C[C@H]1[C@H](Nc2sccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000588854686 1038387744 /nfs/dbraw/zinc/38/77/44/1038387744.db2.gz AMPDOGPEJFXCEI-GXTWGEPZSA-N 0 3 317.414 3.731 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(CC2(F)F)C1 ZINC000593696017 1039087162 /nfs/dbraw/zinc/08/71/62/1039087162.db2.gz ATZGKNJDOWPEGX-CUXKMMBLSA-N 0 3 308.328 3.729 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594509026 1039806718 /nfs/dbraw/zinc/80/67/18/1039806718.db2.gz GSWVWUUKXIAEEA-JKSUJKDBSA-N 0 3 324.808 3.686 20 5 DHBDHN CS[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698561 1039957971 /nfs/dbraw/zinc/95/79/71/1039957971.db2.gz DUJLLAJBSXTFMS-ZYHUDNBSSA-N 0 3 300.811 3.622 20 5 DHBDHN Cc1cc(F)ccc1C[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000594957853 1039963005 /nfs/dbraw/zinc/96/30/05/1039963005.db2.gz VNGVTXUSHRKAPA-LLVKDONJSA-N 0 3 308.378 3.825 20 5 DHBDHN CC1(C)C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000594967714 1039970594 /nfs/dbraw/zinc/97/05/94/1039970594.db2.gz UWZGDFMCQUDWHF-ZDUSSCGKSA-N 0 3 316.357 3.512 20 5 DHBDHN CC(C)(C)O[C@H]1C[C@H](NCc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989611 1040005140 /nfs/dbraw/zinc/00/51/40/1040005140.db2.gz VCRTYKLEPUCUHL-STQMWFEESA-N 0 3 324.446 3.872 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccsc1 ZINC000595003477 1040012993 /nfs/dbraw/zinc/01/29/93/1040012993.db2.gz HFHUVEMYPSIXOF-NSHDSACASA-N 0 3 306.387 3.558 20 5 DHBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000595046205 1040047591 /nfs/dbraw/zinc/04/75/91/1040047591.db2.gz JUNAUGIXZSUWEJ-RCBQFDQVSA-N 0 3 322.405 3.602 20 5 DHBDHN Cc1noc(CN2C[C@@H](c3ccccc3C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323572 1040109362 /nfs/dbraw/zinc/10/93/62/1040109362.db2.gz ZKJKAIRKRVOLBB-OCCSQVGLSA-N 0 3 315.373 3.578 20 5 DHBDHN C[C@@H]1C[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000596154970 1040329799 /nfs/dbraw/zinc/32/97/99/1040329799.db2.gz GLJORNOEWNIEHU-KOLCDFICSA-N 0 3 311.332 3.570 20 5 DHBDHN C[C@@H]1C[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CN1C1CC1 ZINC000596154972 1040331883 /nfs/dbraw/zinc/33/18/83/1040331883.db2.gz GLJORNOEWNIEHU-MWLCHTKSSA-N 0 3 311.332 3.570 20 5 DHBDHN C[C@H](NCc1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000608982499 1040658746 /nfs/dbraw/zinc/65/87/46/1040658746.db2.gz OHSQPDOYNPXEMF-ZDUSSCGKSA-N 0 3 307.353 3.994 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN(C3CCC3)C3CCC3)nc2c1 ZINC000602675215 1041143062 /nfs/dbraw/zinc/14/30/62/1041143062.db2.gz ZIVOAWXBAQKGSZ-UHFFFAOYSA-N 0 3 301.346 3.643 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000602857966 1041266030 /nfs/dbraw/zinc/26/60/30/1041266030.db2.gz ZNAXGOMQBLNQQG-WMLDXEAASA-N 0 3 311.385 3.930 20 5 DHBDHN CCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236906675 202064465 /nfs/dbraw/zinc/06/44/65/202064465.db2.gz VPLQGZMCWYKQCQ-UHFFFAOYSA-N 0 3 324.764 3.634 20 5 DHBDHN C[C@@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000273109163 130090386 /nfs/dbraw/zinc/09/03/86/130090386.db2.gz XBXPNBSADARDOF-RYUDHWBXSA-N 0 3 305.403 3.848 20 5 DHBDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301325 131067822 /nfs/dbraw/zinc/06/78/22/131067822.db2.gz YPWYDDJLTVCXPQ-VXGBXAGGSA-N 0 3 315.373 3.597 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2COc3ccccc32)c1 ZINC000288526182 131329470 /nfs/dbraw/zinc/32/94/70/131329470.db2.gz JXJUZYCXFAWXMK-LBPRGKRZSA-N 0 3 318.760 3.514 20 5 DHBDHN Cc1ccc([C@@H](C)NCC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988869 132085415 /nfs/dbraw/zinc/08/54/15/132085415.db2.gz PUQZEQOERXSJKF-RDTXWAMCSA-N 0 3 314.385 3.678 20 5 DHBDHN COCc1ccccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119574064 132134377 /nfs/dbraw/zinc/13/43/77/132134377.db2.gz HFKCHEFMSADQQM-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN COC[C@]1(C)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449391345 332114843 /nfs/dbraw/zinc/11/48/43/332114843.db2.gz HYFMTEBRZLJVGZ-QGZVFWFLSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)[C@H]1C ZINC000408201457 332241107 /nfs/dbraw/zinc/24/11/07/332241107.db2.gz FMSRIMIXJGXCSK-UONOGXRCSA-N 0 3 304.390 3.547 20 5 DHBDHN COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000151002676 332476138 /nfs/dbraw/zinc/47/61/38/332476138.db2.gz MPLCGIXAAKQCOE-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000195347879 335111184 /nfs/dbraw/zinc/11/11/84/335111184.db2.gz PVDFUCDBRLPHHT-OCCSQVGLSA-N 0 3 317.414 3.992 20 5 DHBDHN Cc1cc(NCC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302104610 332982828 /nfs/dbraw/zinc/98/28/28/332982828.db2.gz WUWHYYLHYUJXIG-AWEZNQCLSA-N 0 3 315.373 3.823 20 5 DHBDHN Cc1cc(NCCCOC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302165755 332984321 /nfs/dbraw/zinc/98/43/21/332984321.db2.gz KUMIWQCVVUVHEF-UHFFFAOYSA-N 0 3 303.362 3.678 20 5 DHBDHN CO[C@](C)(CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815415 333118765 /nfs/dbraw/zinc/11/87/65/333118765.db2.gz CZMNCOMDTGMOTB-SJLPKXTDSA-N 0 3 318.417 3.722 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000582132218 333152697 /nfs/dbraw/zinc/15/26/97/333152697.db2.gz FBEUMJFXZXEQSH-YQVWRLOYSA-N 0 3 324.380 3.702 20 5 DHBDHN COc1ccc(CN2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000525787622 333313697 /nfs/dbraw/zinc/31/36/97/333313697.db2.gz FUWIRZNOSSYMKD-SNPRPXQTSA-N 0 3 304.390 3.756 20 5 DHBDHN CCOC(C)(C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000186537189 333374559 /nfs/dbraw/zinc/37/45/59/333374559.db2.gz ARUAPIRXGGCLPF-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN C[C@@H](NC[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666598 333384836 /nfs/dbraw/zinc/38/48/36/333384836.db2.gz DBGXIYRLRMWVCI-DYVFJYSZSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@@H](NC[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666649 333384930 /nfs/dbraw/zinc/38/49/30/333384930.db2.gz DBGXIYRLRMWVCI-CXAGYDPISA-N 0 3 306.406 3.577 20 5 DHBDHN COc1ccccc1C1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000320030728 333421602 /nfs/dbraw/zinc/42/16/02/333421602.db2.gz PSVYUZLHRSOZIJ-UHFFFAOYSA-N 0 3 312.369 3.639 20 5 DHBDHN CO[C@](C)([C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969823 333717331 /nfs/dbraw/zinc/71/73/31/333717331.db2.gz MFNKIVJVDZLOIJ-MEBBXXQBSA-N 0 3 312.797 3.541 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000414152808 333903809 /nfs/dbraw/zinc/90/38/09/333903809.db2.gz YHYYAGFISWJTIX-YUELXQCFSA-N 0 3 322.405 3.600 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503967 334000391 /nfs/dbraw/zinc/00/03/91/334000391.db2.gz RPTYLJOAQSZBND-VXGBXAGGSA-N 0 3 318.398 3.838 20 5 DHBDHN Cc1ccc(CN2CC3(CCOCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000414521197 334006082 /nfs/dbraw/zinc/00/60/82/334006082.db2.gz DTIUGMWKZDYZDG-QGZVFWFLSA-N 0 3 318.417 3.540 20 5 DHBDHN CCOC1CC2(C1)CCN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000285482509 334148343 /nfs/dbraw/zinc/14/83/43/334148343.db2.gz LREACOKKSRLDOQ-NXVRBGIVSA-N 0 3 318.417 3.855 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cccc2c1CCCN2 ZINC000415041388 334261051 /nfs/dbraw/zinc/26/10/51/334261051.db2.gz TWYFGHDLYSQKTQ-YWEYNIOJSA-N 0 3 323.396 3.756 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[C@H](F)C3)cs2)c1 ZINC000342310276 334527551 /nfs/dbraw/zinc/52/75/51/334527551.db2.gz UHHVRUNROAOWLJ-RYUDHWBXSA-N 0 3 321.377 3.699 20 5 DHBDHN CCC[C@H](NCC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313737 335240078 /nfs/dbraw/zinc/24/00/78/335240078.db2.gz ZODFBXCWWFYPQN-IRXDYDNUSA-N 0 3 320.433 3.823 20 5 DHBDHN CO[C@H](c1ccccc1F)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000345696619 335342626 /nfs/dbraw/zinc/34/26/26/335342626.db2.gz VZTMCMWOECJBGY-SJCJKPOMSA-N 0 3 318.348 3.600 20 5 DHBDHN Cc1cccc2c1OC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000519037160 335788917 /nfs/dbraw/zinc/78/89/17/335788917.db2.gz RYTLPNUJVXNPCK-XJKSGUPXSA-N 0 3 312.369 3.558 20 5 DHBDHN C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645785 336143301 /nfs/dbraw/zinc/14/33/01/336143301.db2.gz UMZIWPNQKCRHAV-JRPNMDOOSA-N 0 3 306.431 3.801 20 5 DHBDHN CC[C@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332363967 336169814 /nfs/dbraw/zinc/16/98/14/336169814.db2.gz RCPYYAVOBIJQDW-LRDDRELGSA-N 0 3 320.389 3.520 20 5 DHBDHN CO[C@H](C)CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685076 336230296 /nfs/dbraw/zinc/23/02/96/336230296.db2.gz RJGZHIOCRPYAQT-RDTXWAMCSA-N 0 3 314.385 3.699 20 5 DHBDHN COc1cc(CN2CC[C@@H](C)C3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000352767980 336233915 /nfs/dbraw/zinc/23/39/15/336233915.db2.gz FHKXVPYXTBQXHE-CYBMUJFWSA-N 0 3 304.390 3.616 20 5 DHBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1 ZINC000352771488 336236749 /nfs/dbraw/zinc/23/67/49/336236749.db2.gz YQWMDXKYMKBZSR-OAHLLOKOSA-N 0 3 300.358 3.844 20 5 DHBDHN CN(C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301940193 336339082 /nfs/dbraw/zinc/33/90/82/336339082.db2.gz UHUPKCXLPAJVPQ-ZDUSSCGKSA-N 0 3 309.366 3.510 20 5 DHBDHN CCO[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861172 336374833 /nfs/dbraw/zinc/37/48/33/336374833.db2.gz GJMAKMAEZFLMKU-DLBZAZTESA-N 0 3 318.417 3.812 20 5 DHBDHN Cc1ccc(CN2CCC([C@@H]3CCCOC3)CC2)cc1[N+](=O)[O-] ZINC000367876397 336831436 /nfs/dbraw/zinc/83/14/36/336831436.db2.gz DIAHDUDNPMZNLU-QGZVFWFLSA-N 0 3 318.417 3.542 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239251 337049185 /nfs/dbraw/zinc/04/91/85/337049185.db2.gz MGISCYHPZNYCJZ-CVEARBPZSA-N 0 3 318.417 3.577 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239255 337049201 /nfs/dbraw/zinc/04/92/01/337049201.db2.gz MGISCYHPZNYCJZ-HZPDHXFCSA-N 0 3 318.417 3.577 20 5 DHBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000377405454 337052146 /nfs/dbraw/zinc/05/21/46/337052146.db2.gz UBXUKJOKPKYHNU-QZTJIDSGSA-N 0 3 312.369 3.605 20 5 DHBDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353520 337141075 /nfs/dbraw/zinc/14/10/75/337141075.db2.gz RWMRJIVZRWSEPX-KGLIPLIRSA-N 0 3 324.446 3.709 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000182674163 337189282 /nfs/dbraw/zinc/18/92/82/337189282.db2.gz QSVNWUIPYKGSOI-KBPBESRZSA-N 0 3 314.389 3.567 20 5 DHBDHN CCC(O)(CC)C(C)(C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000583763762 337331505 /nfs/dbraw/zinc/33/15/05/337331505.db2.gz JKNURBSRPXICOV-CYBMUJFWSA-N 0 3 308.422 3.823 20 5 DHBDHN C[C@@H](NCCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000536861327 337746722 /nfs/dbraw/zinc/74/67/22/337746722.db2.gz BZBRQZWMUCZGII-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305116 337929939 /nfs/dbraw/zinc/92/99/39/337929939.db2.gz CIUXWEOLPZLOHO-KBRIMQKVSA-N 0 3 318.417 3.983 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426456832 338032534 /nfs/dbraw/zinc/03/25/34/338032534.db2.gz FISJWOTWGLFNIG-BBRMVZONSA-N 0 3 304.390 3.756 20 5 DHBDHN Cc1c(CN2CCS[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000437531569 338312767 /nfs/dbraw/zinc/31/27/67/338312767.db2.gz AORXFTOLMLNDDK-CVEARBPZSA-N 0 3 306.431 3.763 20 5 DHBDHN O=[N+]([O-])c1cccc(CCNCc2ccc(Cl)cc2F)c1 ZINC000437791230 338321627 /nfs/dbraw/zinc/32/16/27/338321627.db2.gz ZCZDHDPJXMHPSP-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN COc1ccc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000194415999 338526274 /nfs/dbraw/zinc/52/62/74/338526274.db2.gz IRSMXTLUSBVCDB-GFCCVEGCSA-N 0 3 318.348 3.636 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H]2CCC[C@H]2OCC)cc1[N+](=O)[O-] ZINC000453406226 338839523 /nfs/dbraw/zinc/83/95/23/338839523.db2.gz PGBWYVMJIINWKG-JGGQBBKZSA-N 0 3 322.405 3.602 20 5 DHBDHN CO[C@@H]1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754243 339046386 /nfs/dbraw/zinc/04/63/86/339046386.db2.gz JGNSVSJYSVXIJI-VBNZEHGJSA-N 0 3 304.390 3.511 20 5 DHBDHN O=[N+]([O-])c1ccc(CCCCNCc2c(F)cccc2F)cc1 ZINC000462766926 339087652 /nfs/dbraw/zinc/08/76/52/339087652.db2.gz RITPEVAXIOALJO-UHFFFAOYSA-N 0 3 320.339 3.986 20 5 DHBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000466472916 339206525 /nfs/dbraw/zinc/20/65/25/339206525.db2.gz IRAHKCHMAWPKCA-CVEARBPZSA-N 0 3 324.808 3.543 20 5 DHBDHN C[C@@H](N[C@@H](C)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000467837138 339247194 /nfs/dbraw/zinc/24/71/94/339247194.db2.gz XSEMVSWXYJNGDD-QWHCGFSZSA-N 0 3 318.348 3.852 20 5 DHBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000467850345 339247625 /nfs/dbraw/zinc/24/76/25/339247625.db2.gz KFIXYRVKYDCDPQ-OLZOCXBDSA-N 0 3 318.348 3.852 20 5 DHBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000467862619 339247978 /nfs/dbraw/zinc/24/79/78/339247978.db2.gz IMYGWUYODDCMDA-OLZOCXBDSA-N 0 3 318.348 3.852 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCOC1CCCCC1 ZINC000468634417 339267552 /nfs/dbraw/zinc/26/75/52/339267552.db2.gz DHCXTXPGLPKHLW-NTCAYCPXSA-N 0 3 318.417 3.937 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc([O-])c(F)c1 ZINC000468651322 339268151 /nfs/dbraw/zinc/26/81/51/339268151.db2.gz YEDMZOITDXTRKM-KPKJPENVSA-N 0 3 316.332 3.633 20 5 DHBDHN C[C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000478845583 339523609 /nfs/dbraw/zinc/52/36/09/339523609.db2.gz OGUKNMZUFQBGFE-ZYHUDNBSSA-N 0 3 314.332 3.865 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479509998 339538599 /nfs/dbraw/zinc/53/85/99/339538599.db2.gz HQUCZGLLOFAECS-DZGCQCFKSA-N 0 3 308.422 3.741 20 5 DHBDHN Cc1c(CNCc2cc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000486694279 339731473 /nfs/dbraw/zinc/73/14/73/339731473.db2.gz CMFMTVDXAYTKLP-UHFFFAOYSA-N 0 3 313.332 3.813 20 5 DHBDHN COc1cc(CN[C@H](C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000492728458 339907644 /nfs/dbraw/zinc/90/76/44/339907644.db2.gz OEQCYFBTUOCETR-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CC(C)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000498765852 340022935 /nfs/dbraw/zinc/02/29/35/340022935.db2.gz IZBHBAWGIWVMIB-KRWDZBQOSA-N 0 3 317.364 3.658 20 5 DHBDHN CCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507009664 340205368 /nfs/dbraw/zinc/20/53/68/340205368.db2.gz XPTZHHWPQQEMPY-SNVBAGLBSA-N 0 3 302.321 3.817 20 5 DHBDHN C[C@@H](N[C@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515913 340271985 /nfs/dbraw/zinc/27/19/85/340271985.db2.gz LZLFLIIHQUBPQH-HIFRSBDPSA-N 0 3 312.369 3.639 20 5 DHBDHN CCc1cnc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173452437 340365365 /nfs/dbraw/zinc/36/53/65/340365365.db2.gz ODGZMMCYYJMNKV-LLVKDONJSA-N 0 3 305.403 3.507 20 5 DHBDHN C[C@H]1CSC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868752 340381669 /nfs/dbraw/zinc/38/16/69/340381669.db2.gz HXGOHNIDXPCUNS-SMDDNHRTSA-N 0 3 318.398 3.696 20 5 DHBDHN Cc1cc2cc(CNCc3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000513111466 340393743 /nfs/dbraw/zinc/39/37/43/340393743.db2.gz FYZGJTOJDUILEJ-UHFFFAOYSA-N 0 3 309.369 3.983 20 5 DHBDHN Cc1ccc(CNCCOc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000513587973 340414277 /nfs/dbraw/zinc/41/42/77/340414277.db2.gz FCJLKBDHNSMDHE-UHFFFAOYSA-N 0 3 314.385 3.689 20 5 DHBDHN CO[C@@](C)([C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631721 340425395 /nfs/dbraw/zinc/42/53/95/340425395.db2.gz XLKYPWDIZWMCRI-IGCXYCKISA-N 0 3 306.406 3.757 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCc1ccccc1OC(F)F ZINC000190883612 340547773 /nfs/dbraw/zinc/54/77/73/340547773.db2.gz SBMFMMIMZXALFN-UHFFFAOYSA-N 0 3 322.311 3.529 20 5 DHBDHN O=[N+]([O-])c1ccc(CCNCc2cc(Cl)ccc2F)cc1 ZINC000125319895 340803487 /nfs/dbraw/zinc/80/34/87/340803487.db2.gz KPIFQCDQENULIQ-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCSC1 ZINC000130575071 341028746 /nfs/dbraw/zinc/02/87/46/341028746.db2.gz PPSRCNPFMZIHIX-CQSZACIVSA-N 0 3 318.398 3.792 20 5 DHBDHN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628873 341052008 /nfs/dbraw/zinc/05/20/08/341052008.db2.gz YBBFWSQHMGUBLI-ZENOOKHLSA-N 0 3 315.373 3.645 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544440538 341082290 /nfs/dbraw/zinc/08/22/90/341082290.db2.gz SNSRTRIXSNYNIN-XKQJLSEDSA-N 0 3 320.433 3.693 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc(N(C)C)c1 ZINC000544611785 341089048 /nfs/dbraw/zinc/08/90/48/341089048.db2.gz XLHMNIJABBGEHB-UHFFFAOYSA-N 0 3 313.401 3.601 20 5 DHBDHN CC[C@H](CC(F)(F)F)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000544939217 341100379 /nfs/dbraw/zinc/10/03/79/341100379.db2.gz AEMOAWNLQHOBNV-SMYYYNMVSA-N 0 3 302.296 3.929 20 5 DHBDHN Cc1cc(SCCN(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549146239 341287348 /nfs/dbraw/zinc/28/73/48/341287348.db2.gz LUOKZMBNNUCMCJ-UHFFFAOYSA-N 0 3 308.325 3.576 20 5 DHBDHN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000269981552 341614501 /nfs/dbraw/zinc/61/45/01/341614501.db2.gz RBXQBSIVHFHBKC-JFOHDYCDSA-N 0 3 316.401 3.593 20 5 DHBDHN CC(C)OC[C@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000337269261 519773096 /nfs/dbraw/zinc/77/30/96/519773096.db2.gz YPPCCRNWYUUEOP-JTQLQIEISA-N 0 3 320.311 3.517 20 5 DHBDHN CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000131135012 520769559 /nfs/dbraw/zinc/76/95/59/520769559.db2.gz PPZXOIUOCSKMFD-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN COC1CCC(N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266910890 522684735 /nfs/dbraw/zinc/68/47/35/522684735.db2.gz CZISSVQZZPXNPH-UHFFFAOYSA-N 0 3 312.797 3.638 20 5 DHBDHN COCc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000124418323 522994211 /nfs/dbraw/zinc/99/42/11/522994211.db2.gz HWUWXGNBMZNBAV-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN C[C@H](F)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339495743 524809008 /nfs/dbraw/zinc/80/90/08/524809008.db2.gz NOTRRDAARJJUJX-JTQLQIEISA-N 0 3 309.366 3.556 20 5 DHBDHN C[C@]1(CNCc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000339446581 525268180 /nfs/dbraw/zinc/26/81/80/525268180.db2.gz CLSYTJKACMMQBT-GOEBONIOSA-N 0 3 302.399 3.940 20 5 DHBDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268905361 525431688 /nfs/dbraw/zinc/43/16/88/525431688.db2.gz LRXWVSSTXAUUGM-RDTXWAMCSA-N 0 3 314.385 3.596 20 5 DHBDHN C[C@@H](NC[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748320 525477586 /nfs/dbraw/zinc/47/75/86/525477586.db2.gz BURMJPRUOJQRIL-BDJLRTHQSA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000266807664 525615226 /nfs/dbraw/zinc/61/52/26/525615226.db2.gz UKLQFBUDRZKHST-JKDFXYPNSA-N 0 3 318.348 3.507 20 5 DHBDHN C[C@@H](N[C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000124510436 525657695 /nfs/dbraw/zinc/65/76/95/525657695.db2.gz NIWVUKZRDNCMDE-QFSBIZTOSA-N 0 3 318.348 3.507 20 5 DHBDHN Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130673640 525781950 /nfs/dbraw/zinc/78/19/50/525781950.db2.gz LMXFWERZTFVSMV-KSSFIOAISA-N 0 3 314.385 3.596 20 5 DHBDHN Cc1cnc(CCN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000157834510 525995628 /nfs/dbraw/zinc/99/56/28/525995628.db2.gz OQMMNTOCQGWOCH-LBPRGKRZSA-N 0 3 305.403 3.595 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CO)CC1CCCC1)CCC2 ZINC000338026757 527379792 /nfs/dbraw/zinc/37/97/92/527379792.db2.gz KNLANBVPQVVRJA-YJBOKZPZSA-N 0 3 318.417 3.503 20 5 DHBDHN CCOC1CC2(C1)CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000285482507 535399235 /nfs/dbraw/zinc/39/92/35/535399235.db2.gz LREACOKKSRLDOQ-MXWWQKGMSA-N 0 3 318.417 3.855 20 5 DHBDHN CN(CCc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472316 1013427213 /nfs/dbraw/zinc/42/72/13/1013427213.db2.gz TZUHQQZKZSUYTM-UHFFFAOYSA-N 0 3 304.777 3.923 20 5 DHBDHN C[C@@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000895306096 1015039076 /nfs/dbraw/zinc/03/90/76/1015039076.db2.gz FVLXTQPJQUEKDE-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN CCCc1ncc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000449614048 1015466423 /nfs/dbraw/zinc/46/64/23/1015466423.db2.gz UKHMFNNRWCGARE-CYBMUJFWSA-N 0 3 317.389 3.646 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[C@@H](F)C3)cs2)c1 ZINC000342310270 1016252314 /nfs/dbraw/zinc/25/23/14/1016252314.db2.gz UHHVRUNROAOWLJ-NEPJUHHUSA-N 0 3 321.377 3.699 20 5 DHBDHN CC[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185064723 1016531268 /nfs/dbraw/zinc/53/12/68/1016531268.db2.gz NKPDOBGTTJLZMB-AWEZNQCLSA-N 0 3 321.402 3.561 20 5 DHBDHN CCN(CCC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000760537318 1032684663 /nfs/dbraw/zinc/68/46/63/1032684663.db2.gz NJMPWAGDVKQVQT-UHFFFAOYSA-N 0 3 322.796 3.677 20 5 DHBDHN CCC[C@H](C)[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652752 1017606460 /nfs/dbraw/zinc/60/64/60/1017606460.db2.gz KCDVPQGGMZGSOM-BLLLJJGKSA-N 0 3 316.405 3.872 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000444659757 1017609288 /nfs/dbraw/zinc/60/92/88/1017609288.db2.gz DZJNWBHZEZGSAZ-SMDDNHRTSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1cc(CN[C@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000445881360 1017998213 /nfs/dbraw/zinc/99/82/13/1017998213.db2.gz SLRLARWJNIIBAU-LLVKDONJSA-N 0 3 320.311 3.670 20 5 DHBDHN C[C@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977817 1018556834 /nfs/dbraw/zinc/55/68/34/1018556834.db2.gz LHGYJRHJIRQCKG-KBPBESRZSA-N 0 3 304.390 3.737 20 5 DHBDHN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC000921553425 1019048505 /nfs/dbraw/zinc/04/85/05/1019048505.db2.gz UCVWACVVXIWUQM-STQMWFEESA-N 0 3 312.369 3.769 20 5 DHBDHN COc1cccc2c1CC[C@@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000477724989 1032889465 /nfs/dbraw/zinc/88/94/65/1032889465.db2.gz NEBNAVYUUZCSFH-INIZCTEOSA-N 0 3 312.369 3.689 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCCc2cccnc21 ZINC000922879814 1020324238 /nfs/dbraw/zinc/32/42/38/1020324238.db2.gz CRZAQDCCWXXZIG-FAOGRTBUSA-N 0 3 309.369 3.670 20 5 DHBDHN CC(C)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738241278 1020867395 /nfs/dbraw/zinc/86/73/95/1020867395.db2.gz SNTZBSLKTIIMRK-CQSZACIVSA-N 0 3 316.405 3.660 20 5 DHBDHN COc1ccc(CN2CC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000120127714 1021045128 /nfs/dbraw/zinc/04/51/28/1021045128.db2.gz KQYJASOECKAQJK-INIZCTEOSA-N 0 3 312.369 3.593 20 5 DHBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000742589418 1021139758 /nfs/dbraw/zinc/13/97/58/1021139758.db2.gz HQSYUDNPWLYRSU-AWEZNQCLSA-N 0 3 312.369 3.593 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCCC(F)(F)C2)c1 ZINC000695087375 1021512676 /nfs/dbraw/zinc/51/26/76/1021512676.db2.gz INFTWHRBCZWLGR-JTQLQIEISA-N 0 3 304.724 3.916 20 5 DHBDHN CC1(C)CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000565560048 1021650986 /nfs/dbraw/zinc/65/09/86/1021650986.db2.gz CBOTZMBICIWVDQ-AWEZNQCLSA-N 0 3 317.414 3.997 20 5 DHBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182691034 1021767755 /nfs/dbraw/zinc/76/77/55/1021767755.db2.gz ASJPFRZNUBJBMW-LLVKDONJSA-N 0 3 303.362 3.794 20 5 DHBDHN Cc1ccncc1CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000290431969 1022018431 /nfs/dbraw/zinc/01/84/31/1022018431.db2.gz RTABMKVLMWBIBA-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN CN(Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005942 1022212466 /nfs/dbraw/zinc/21/24/66/1022212466.db2.gz DKNYITMXFMWXRM-GXFFZTMASA-N 0 3 317.216 3.871 20 5 DHBDHN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195741 1022660942 /nfs/dbraw/zinc/66/09/42/1022660942.db2.gz QKNRIEDHBUCLGJ-HZPDHXFCSA-N 0 3 324.808 3.543 20 5 DHBDHN CN(C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068659182 1022716707 /nfs/dbraw/zinc/71/67/07/1022716707.db2.gz VLDZNKWJGRWIRO-ZDUSSCGKSA-N 0 3 309.366 3.510 20 5 DHBDHN CN(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068836629 1022769024 /nfs/dbraw/zinc/76/90/24/1022769024.db2.gz XPGXUWKSGPLYEQ-INIZCTEOSA-N 0 3 321.327 3.588 20 5 DHBDHN COc1cc(CN2CCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1F ZINC000184198791 1022773447 /nfs/dbraw/zinc/77/34/47/1022773447.db2.gz GEULRWYRWUODCP-AWEZNQCLSA-N 0 3 308.353 3.507 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342670 1022818054 /nfs/dbraw/zinc/81/80/54/1022818054.db2.gz JAFTWLISGHTOBN-DYVFJYSZSA-N 0 3 300.358 3.633 20 5 DHBDHN CO[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342697 1022818719 /nfs/dbraw/zinc/81/87/19/1022818719.db2.gz JAFTWLISGHTOBN-CXAGYDPISA-N 0 3 300.358 3.633 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CC34CC4)cs2)c1 ZINC000418105134 1022960073 /nfs/dbraw/zinc/96/00/73/1022960073.db2.gz XOBWKEQGSCYLMI-LBPRGKRZSA-N 0 3 315.398 3.608 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cl)nc1 ZINC000786812660 1023730737 /nfs/dbraw/zinc/73/07/37/1023730737.db2.gz RUPFCJLVHVQRAG-GHXNOFRVSA-N 0 3 317.776 3.836 20 5 DHBDHN C[C@@H](NCc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499463 1023894703 /nfs/dbraw/zinc/89/47/03/1023894703.db2.gz UMANQJZTQUKDKI-SNVBAGLBSA-N 0 3 305.765 3.681 20 5 DHBDHN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637455 1023918025 /nfs/dbraw/zinc/91/80/25/1023918025.db2.gz CGBKBQIBNDLUFE-HWPZZCPQSA-N 0 3 315.348 3.654 20 5 DHBDHN CCC[C@H](NC[C@@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007823 1024218337 /nfs/dbraw/zinc/21/83/37/1024218337.db2.gz QZFLEYSJHKADGT-JKSUJKDBSA-N 0 3 318.373 3.661 20 5 DHBDHN COc1ccc(CN(C)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000051650298 1024323320 /nfs/dbraw/zinc/32/33/20/1024323320.db2.gz ZXOYHSCEOQLEEM-MRXNPFEDSA-N 0 3 312.369 3.723 20 5 DHBDHN C[C@@H]1CC[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634396 1024556881 /nfs/dbraw/zinc/55/68/81/1024556881.db2.gz SHKMNHIKKQLVPI-IUODEOHRSA-N 0 3 316.357 3.512 20 5 DHBDHN C[C@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CCCO1 ZINC000170774076 1024873629 /nfs/dbraw/zinc/87/36/29/1024873629.db2.gz XWZVSHZMVDYJIL-AWEZNQCLSA-N 0 3 323.392 3.557 20 5 DHBDHN COc1cc(CN2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000353449757 1025072456 /nfs/dbraw/zinc/07/24/56/1025072456.db2.gz SIYYQVJYHOTUQF-INIZCTEOSA-N 0 3 322.405 3.623 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC[C@@H]2CCC3(CCC3)O2)c(Cl)c1 ZINC001207645461 1025261276 /nfs/dbraw/zinc/26/12/76/1025261276.db2.gz NKLHMBDHNNXAPF-AWEZNQCLSA-N 0 3 324.808 3.830 20 5 DHBDHN Cc1nc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])sc1C ZINC000897459399 1025360026 /nfs/dbraw/zinc/36/00/26/1025360026.db2.gz LRLQENIESASIDO-SNVBAGLBSA-N 0 3 305.403 3.561 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(C[C@@H](O)CC2CCCC2)C2CC2)c1 ZINC000354847445 1025524165 /nfs/dbraw/zinc/52/41/65/1025524165.db2.gz BTXPKCJTTNHOIZ-SFHVURJKSA-N 0 3 318.417 3.500 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237266337 1027051952 /nfs/dbraw/zinc/05/19/52/1027051952.db2.gz YWDLNBLLKMRVKK-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000571997570 1027165053 /nfs/dbraw/zinc/16/50/53/1027165053.db2.gz UCEPVIXBMAEPDA-WFASDCNBSA-N 0 3 324.808 3.639 20 5 DHBDHN Cc1noc(CN2CCC[C@H]2[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274829 1027438469 /nfs/dbraw/zinc/43/84/69/1027438469.db2.gz KQUFMIWVWIPPCU-WFASDCNBSA-N 0 3 315.373 3.659 20 5 DHBDHN Cc1cccc(Oc2ccccc2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102789 1027521610 /nfs/dbraw/zinc/52/16/10/1027521610.db2.gz VOJXDFGUGKOHNY-ZDUSSCGKSA-N 0 3 315.325 3.609 20 5 DHBDHN C[C@H](NCc1ccc2c(c1)CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423454756 1027564528 /nfs/dbraw/zinc/56/45/28/1027564528.db2.gz ZNJDMTBHWLAMLM-ZDUSSCGKSA-N 0 3 311.385 3.804 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O)(C2CCC2)CC1 ZINC000932820222 1027615359 /nfs/dbraw/zinc/61/53/59/1027615359.db2.gz LXUFKJOZODVMRP-AWEZNQCLSA-N 0 3 318.417 3.591 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCc2ccc(CC(F)(F)F)cc2)cc1 ZINC000601100441 1027984325 /nfs/dbraw/zinc/98/43/25/1027984325.db2.gz CTNUZDAJJRSXDH-UHFFFAOYSA-N 0 3 324.302 3.989 20 5 DHBDHN C[C@H](NCc1cccc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571842 1028566956 /nfs/dbraw/zinc/56/69/56/1028566956.db2.gz NPAWRYRQPJOEHP-LBPRGKRZSA-N 0 3 322.368 3.576 20 5 DHBDHN Cc1cc2cc(CN[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000815625672 1028578189 /nfs/dbraw/zinc/57/81/89/1028578189.db2.gz JVIOSBPCWWMBKV-LBPRGKRZSA-N 0 3 324.384 3.818 20 5 DHBDHN COc1ccc(-c2ccc(CN3C[C@@H](C)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646677 1028970765 /nfs/dbraw/zinc/97/07/65/1028970765.db2.gz HMJTWMZIHJDPJW-VXGBXAGGSA-N 0 3 316.357 3.704 20 5 DHBDHN C[C@H](N[C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496977 1029138568 /nfs/dbraw/zinc/13/85/68/1029138568.db2.gz YOAYCJKEDSDQFX-UVBJJODRSA-N 0 3 300.333 3.941 20 5 DHBDHN Cc1cnc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000374229983 1029246236 /nfs/dbraw/zinc/24/62/36/1029246236.db2.gz NXRRCZOITKKCPE-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN C[C@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCOC1 ZINC000357347613 1030008809 /nfs/dbraw/zinc/00/88/09/1030008809.db2.gz VONYKOIUQSWQJC-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(CCSC2)C1 ZINC000451966815 1030072834 /nfs/dbraw/zinc/07/28/34/1030072834.db2.gz POUKIVDFJDMIJO-CZUORRHYSA-N 0 3 306.431 3.875 20 5 DHBDHN C[C@H](CCc1cccnc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000866305223 1030213342 /nfs/dbraw/zinc/21/33/42/1030213342.db2.gz OYGKJFAFXDZSOC-GFCCVEGCSA-N 0 3 319.792 3.754 20 5 DHBDHN Cc1c(CN[C@@H](C)c2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358340316 1030445975 /nfs/dbraw/zinc/44/59/75/1030445975.db2.gz QHNSBIXSYULDIU-ZDUSSCGKSA-N 0 3 312.369 3.784 20 5 DHBDHN CCc1nc(C)c(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000291940395 1030712003 /nfs/dbraw/zinc/71/20/03/1030712003.db2.gz PVFKDGSXKNIRBU-GFCCVEGCSA-N 0 3 317.389 3.565 20 5 DHBDHN COc1ccc(CN2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292240 1030891381 /nfs/dbraw/zinc/89/13/81/1030891381.db2.gz DPBFHBJDNSHZFQ-DYVFJYSZSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1c([C@@H](C)NC2([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165188 1031127578 /nfs/dbraw/zinc/12/75/78/1031127578.db2.gz ZYSIXFYOAONXOA-CZUORRHYSA-N 0 3 304.390 3.656 20 5 DHBDHN CCOCCC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872050706 1031438635 /nfs/dbraw/zinc/43/86/35/1031438635.db2.gz CGBJVCZKPLDYHX-GFCCVEGCSA-N 0 3 310.369 3.591 20 5 DHBDHN C[C@@H](NCC1([C@@H](C)CCO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054572 1031443640 /nfs/dbraw/zinc/44/36/40/1031443640.db2.gz ZAHXLOZTUJFFPP-QWHCGFSZSA-N 0 3 324.396 3.573 20 5 DHBDHN C[C@@H](NCCC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063574 1031459190 /nfs/dbraw/zinc/45/91/90/1031459190.db2.gz XSFGVJWRCRKKPR-OLZOCXBDSA-N 0 3 310.369 3.734 20 5 DHBDHN Cc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872831 1031747685 /nfs/dbraw/zinc/74/76/85/1031747685.db2.gz PMCIPZCJYMDJQP-HZMBPMFUSA-N 0 3 323.345 3.759 20 5 DHBDHN C[C@@H]1CCCCCN1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956570 1032040338 /nfs/dbraw/zinc/04/03/38/1032040338.db2.gz JLGVBBDWHBLOPM-CQSZACIVSA-N 0 3 314.389 3.680 20 5 DHBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813737 1033314283 /nfs/dbraw/zinc/31/42/83/1033314283.db2.gz GYHBSXKKIMTWED-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]2c2ccsc2)c1 ZINC000136940594 1033317166 /nfs/dbraw/zinc/31/71/66/1033317166.db2.gz WGJREWZSSFLUMJ-CVEARBPZSA-N 0 3 318.398 3.527 20 5 DHBDHN C[C@H](N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898749 1033435326 /nfs/dbraw/zinc/43/53/26/1033435326.db2.gz IYSKYKSWQQPUHK-FZMZJTMJSA-N 0 3 317.414 3.650 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCCCC2)c1F ZINC001173181282 1033581822 /nfs/dbraw/zinc/58/18/22/1033581822.db2.gz NVDIQZNCDWHZHP-GFCCVEGCSA-N 0 3 310.369 3.550 20 5 DHBDHN CCC1CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173181353 1033581772 /nfs/dbraw/zinc/58/17/72/1033581772.db2.gz OYHPKSWDYLOTSD-GFCCVEGCSA-N 0 3 324.396 3.796 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](C)C[C@H]2C)c1F ZINC001173189892 1033583106 /nfs/dbraw/zinc/58/31/06/1033583106.db2.gz OICIJNPSJOJHKY-XQQFMLRXSA-N 0 3 324.396 3.794 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](C)c2ccoc2)c1F ZINC001173185663 1033585238 /nfs/dbraw/zinc/58/52/38/1033585238.db2.gz CGFXKSNLKHLSID-QWRGUYRKSA-N 0 3 322.336 3.617 20 5 DHBDHN CC[C@@H]1CCCCN1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195130 1033587010 /nfs/dbraw/zinc/58/70/10/1033587010.db2.gz CCZFYWMDPYDZFG-CHWSQXEVSA-N 0 3 324.396 3.938 20 5 DHBDHN CC[C@@H]1CCCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197365 1033590008 /nfs/dbraw/zinc/59/00/08/1033590008.db2.gz UNLUWAYDNLZKMY-QWHCGFSZSA-N 0 3 324.396 3.796 20 5 DHBDHN Cc1csc([C@H](C)N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212586 1033613458 /nfs/dbraw/zinc/61/34/58/1033613458.db2.gz BEOQZDUAHJDZAU-PWSUYJOCSA-N 0 3 305.403 3.642 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000553262350 1033645243 /nfs/dbraw/zinc/64/52/43/1033645243.db2.gz QZYZVAVMVRWVJA-SMDDNHRTSA-N 0 3 321.352 3.868 20 5 DHBDHN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480884845 1034493150 /nfs/dbraw/zinc/49/31/50/1034493150.db2.gz NZYKZCXXDVSIFJ-GRDNDAEWSA-N 0 3 306.406 3.841 20 5 DHBDHN C[C@@H]1CCCC[C@H]1OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743593 1035713284 /nfs/dbraw/zinc/71/32/84/1035713284.db2.gz QTJMDDUZPJXWLK-CRAIPNDOSA-N 0 3 320.433 3.664 20 5 DHBDHN CO[C@@H](CNCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000539513245 1035759667 /nfs/dbraw/zinc/75/96/67/1035759667.db2.gz RVWBLCRVHVHMCC-INIZCTEOSA-N 0 3 320.776 3.726 20 5 DHBDHN CCC1(CC)[C@H](NCc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@H]1OC ZINC001194093279 1035842899 /nfs/dbraw/zinc/84/28/99/1035842899.db2.gz UDSRESFVIYQPKY-HFBAOOFYSA-N 0 3 324.396 3.663 20 5 DHBDHN CCCCO[C@H]1C[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194190998 1035870191 /nfs/dbraw/zinc/87/01/91/1035870191.db2.gz MXWIPGOONZEGEQ-CVEARBPZSA-N 0 3 324.396 3.807 20 5 DHBDHN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001198790722 1037123167 /nfs/dbraw/zinc/12/31/67/1037123167.db2.gz MYQQKOGJBIXPAO-HZPDHXFCSA-N 0 3 324.808 3.639 20 5 DHBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001201221760 1037582535 /nfs/dbraw/zinc/58/25/35/1037582535.db2.gz GRPIYMSXFTXSGC-UHFFFAOYSA-N 0 3 313.357 3.640 20 5 DHBDHN CCOc1cc(CN2CCC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000588977868 1038414669 /nfs/dbraw/zinc/41/46/69/1038414669.db2.gz BKKNMMPKGNHAAP-HNNXBMFYSA-N 0 3 304.390 3.616 20 5 DHBDHN CC(C)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001191899510 1038564782 /nfs/dbraw/zinc/56/47/82/1038564782.db2.gz LFLSIMPTJGIVGF-CQSZACIVSA-N 0 3 321.377 3.904 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCc2ccccc2CC(F)(F)F)cc1 ZINC000599018549 1039000603 /nfs/dbraw/zinc/00/06/03/1039000603.db2.gz YGMFOIOBSZXSDL-UHFFFAOYSA-N 0 3 324.302 3.989 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](OC(C)C)C1 ZINC000593053776 1039378848 /nfs/dbraw/zinc/37/88/48/1039378848.db2.gz MGVLPUWRFBJBQZ-GOEBONIOSA-N 0 3 306.406 3.854 20 5 DHBDHN C[C@H]1C[C@@H]1c1ccc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000158017308 1039754440 /nfs/dbraw/zinc/75/44/40/1039754440.db2.gz BSOSDZFEDAUBAU-LRDDRELGSA-N 0 3 300.358 3.644 20 5 DHBDHN C[C@@H]1C[C@@H]1c1ccc(CNCCc2cccc([N+](=O)[O-])c2)o1 ZINC000158017163 1039756156 /nfs/dbraw/zinc/75/61/56/1039756156.db2.gz BSOSDZFEDAUBAU-WBMJQRKESA-N 0 3 300.358 3.644 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594509022 1039805920 /nfs/dbraw/zinc/80/59/20/1039805920.db2.gz GSWVWUUKXIAEEA-CVEARBPZSA-N 0 3 324.808 3.686 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCOC1CCCC1 ZINC000595017935 1039980441 /nfs/dbraw/zinc/98/04/41/1039980441.db2.gz XVMKKFABHLZNDJ-ZDUSSCGKSA-N 0 3 322.405 3.603 20 5 DHBDHN CCSC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594986753 1040007885 /nfs/dbraw/zinc/00/78/85/1040007885.db2.gz IVYRQVLYXVNCCI-UHFFFAOYSA-N 0 3 300.811 3.624 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@@H]2c2ccccc2)c(F)c1 ZINC000594993653 1040010441 /nfs/dbraw/zinc/01/04/41/1040010441.db2.gz FHCXLFFTBCJVBU-NVXWUHKLSA-N 0 3 300.333 3.770 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCC1(F)F ZINC000595042216 1040044753 /nfs/dbraw/zinc/04/47/53/1040044753.db2.gz QUBJWYHCDOUQAS-QWRGUYRKSA-N 0 3 314.332 3.689 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1C(C)(C)C1(F)F ZINC000595095273 1040081459 /nfs/dbraw/zinc/08/14/59/1040081459.db2.gz VITPTGGTHATUSV-ZANVPECISA-N 0 3 314.332 3.545 20 5 DHBDHN Cc1noc(CN2CC[C@@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595544926 1040170124 /nfs/dbraw/zinc/17/01/24/1040170124.db2.gz BYOSKGPFJNLJHZ-AWEZNQCLSA-N 0 3 315.373 3.659 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C2CC2)C1 ZINC000491206186 1040642236 /nfs/dbraw/zinc/64/22/36/1040642236.db2.gz CVQJHEMCCKFEPH-AWEZNQCLSA-N 0 3 304.390 3.614 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3C[C@@H]3c3ccccc3)nc2c1 ZINC000602701471 1041167938 /nfs/dbraw/zinc/16/79/38/1041167938.db2.gz UMUZRBGIIUZHTA-UKRRQHHQSA-N 0 3 323.352 3.629 20 5 DHBDHN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301313 131067218 /nfs/dbraw/zinc/06/72/18/131067218.db2.gz YPWYDDJLTVCXPQ-NEPJUHHUSA-N 0 3 315.373 3.597 20 5 DHBDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301318 131067402 /nfs/dbraw/zinc/06/74/02/131067402.db2.gz YPWYDDJLTVCXPQ-NWDGAFQWSA-N 0 3 315.373 3.597 20 5 DHBDHN Cc1c(CN2CCC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000289269838 131370456 /nfs/dbraw/zinc/37/04/56/131370456.db2.gz DYOCVTVPHWJNHC-KRWDZBQOSA-N 0 3 311.385 3.678 20 5 DHBDHN CC[C@@H](COCC(F)(F)F)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155566 132001991 /nfs/dbraw/zinc/00/19/91/132001991.db2.gz COCLMRTUZDDDQO-JQWIXIFHSA-N 0 3 320.311 3.603 20 5 DHBDHN COc1ccc(CC[C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000120082026 132139121 /nfs/dbraw/zinc/13/91/21/132139121.db2.gz UBOGBKVBBBFQPK-CQSZACIVSA-N 0 3 314.385 3.714 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000318545321 332902446 /nfs/dbraw/zinc/90/24/46/332902446.db2.gz JWQZAQYHHLZEKF-APHBMKBZSA-N 0 3 306.406 3.757 20 5 DHBDHN C[C@H](NCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000079724029 331682975 /nfs/dbraw/zinc/68/29/75/331682975.db2.gz DRKNLBCKAKMQAA-ZDUSSCGKSA-N 0 3 307.353 3.994 20 5 DHBDHN CCN1CCCC[C@@H]1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000518450520 332047356 /nfs/dbraw/zinc/04/73/56/332047356.db2.gz IWUNGZILDSNCHG-MRXNPFEDSA-N 0 3 319.449 3.682 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCC(=O)OC(C)(C)C ZINC000518461666 332054971 /nfs/dbraw/zinc/05/49/71/332054971.db2.gz GQARRWNTYFYNDV-ZDUSSCGKSA-N 0 3 322.405 3.676 20 5 DHBDHN COc1cc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000559431935 332258543 /nfs/dbraw/zinc/25/85/43/332258543.db2.gz MHKLYXURHBLFSG-ZIAGYGMSSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000566689014 332534987 /nfs/dbraw/zinc/53/49/87/332534987.db2.gz HZSBRYRAIVJULJ-NWDGAFQWSA-N 0 3 305.403 3.723 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000569940502 332695482 /nfs/dbraw/zinc/69/54/82/332695482.db2.gz BPXMWMIGYPDBGD-FICVDOATSA-N 0 3 315.398 3.606 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000319543956 333315323 /nfs/dbraw/zinc/31/53/23/333315323.db2.gz PTEZJTKKMHLWOH-UHFFFAOYSA-N 0 3 304.365 3.792 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC2(CCCCC2)O1 ZINC000319717763 333399659 /nfs/dbraw/zinc/39/96/59/333399659.db2.gz ONZSTJSHSUDKHX-HNNXBMFYSA-N 0 3 304.390 3.566 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCC2Cc3ccccc3C2)c(Cl)c1 ZINC000584344198 333805516 /nfs/dbraw/zinc/80/55/16/333805516.db2.gz UYOOOLOWYPYACY-UHFFFAOYSA-N 0 3 316.788 3.753 20 5 DHBDHN CCC(O)(CC)C(C)(C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571538044 333815526 /nfs/dbraw/zinc/81/55/26/333815526.db2.gz MYGLOORORIKODU-OAHLLOKOSA-N 0 3 320.433 3.749 20 5 DHBDHN CCS[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000430201448 333967309 /nfs/dbraw/zinc/96/73/09/333967309.db2.gz JPMADDVDMWXRFV-GOEBONIOSA-N 0 3 324.446 3.757 20 5 DHBDHN C[C@@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321289 334107700 /nfs/dbraw/zinc/10/77/00/334107700.db2.gz SJFCKGJJEBRTRQ-ABAIWWIYSA-N 0 3 301.346 3.528 20 5 DHBDHN CC[C@H](NCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000342299058 334526344 /nfs/dbraw/zinc/52/63/44/334526344.db2.gz ZLNHJXAFLRPSGX-SFHVURJKSA-N 0 3 313.401 3.772 20 5 DHBDHN CCc1nc(CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000343911083 335201458 /nfs/dbraw/zinc/20/14/58/335201458.db2.gz AHAAUCDLYYWWSX-NSHDSACASA-N 0 3 319.430 3.815 20 5 DHBDHN C[C@@H](NCc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000343984205 335205416 /nfs/dbraw/zinc/20/54/16/335205416.db2.gz ULRHTUGPKKHANN-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN CC[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000344099911 335212747 /nfs/dbraw/zinc/21/27/47/335212747.db2.gz ZGYDYGBAFPNJDJ-INIZCTEOSA-N 0 3 314.385 3.887 20 5 DHBDHN CCCC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000444684506 338482256 /nfs/dbraw/zinc/48/22/56/338482256.db2.gz KICMRTQXYXWXML-CQSZACIVSA-N 0 3 316.405 3.920 20 5 DHBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)c1ccccc1 ZINC000444685593 338482582 /nfs/dbraw/zinc/48/25/82/338482582.db2.gz ANVFUZHDOXBYBQ-OLZOCXBDSA-N 0 3 324.384 3.753 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2CCC3(CCOCC3)CC2)c(F)c1 ZINC000350256877 335740198 /nfs/dbraw/zinc/74/01/98/335740198.db2.gz VOKQYFHHQTVMHV-UHFFFAOYSA-N 0 3 322.380 3.563 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@](C)(O)CCC(C)C ZINC000532232502 335922547 /nfs/dbraw/zinc/92/25/47/335922547.db2.gz HFEYASVNWGLAQG-WMLDXEAASA-N 0 3 308.422 3.741 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCO2)s1 ZINC000102419609 336287229 /nfs/dbraw/zinc/28/72/29/336287229.db2.gz UYQFATBTYXHKJF-GFCCVEGCSA-N 0 3 318.398 3.592 20 5 DHBDHN Cc1ccc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824082 336370837 /nfs/dbraw/zinc/37/08/37/336370837.db2.gz LMHXOIKUNXEMFB-WMZOPIPTSA-N 0 3 311.385 3.761 20 5 DHBDHN CCC[C@H](NCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353038679 336386750 /nfs/dbraw/zinc/38/67/50/336386750.db2.gz LDZKFGKBGHKWOB-HNNXBMFYSA-N 0 3 322.405 3.757 20 5 DHBDHN Cc1cc(NC[C@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000108097543 336392912 /nfs/dbraw/zinc/39/29/12/336392912.db2.gz QXVZVEYDFUAZQZ-QGZVFWFLSA-N 0 3 317.364 3.757 20 5 DHBDHN C[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCOC1 ZINC000357345214 336581838 /nfs/dbraw/zinc/58/18/38/336581838.db2.gz NSOMRPGOPGKNEF-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN CCOc1ccc([C@@H](C)NCC2(SC)CC2)cc1[N+](=O)[O-] ZINC000193820834 337080397 /nfs/dbraw/zinc/08/03/97/337080397.db2.gz GKTGGAIRNPSEEH-LLVKDONJSA-N 0 3 310.419 3.540 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000421832689 337651558 /nfs/dbraw/zinc/65/15/58/337651558.db2.gz HNXSNWHSFZDMOY-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000537310349 337930446 /nfs/dbraw/zinc/93/04/46/337930446.db2.gz HQYQNHAJQOXKGS-VBHSOAQHSA-N 0 3 312.369 3.638 20 5 DHBDHN COc1cc(CN(C2CCC2)C2CCC2)c([N+](=O)[O-])cc1F ZINC000429172713 338072478 /nfs/dbraw/zinc/07/24/78/338072478.db2.gz KXGLKPVXVOULCJ-UHFFFAOYSA-N 0 3 308.353 3.650 20 5 DHBDHN CCC(CC)[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115111 338182280 /nfs/dbraw/zinc/18/22/80/338182280.db2.gz HRDCGROEKXPNDV-IRXDYDNUSA-N 0 3 320.433 3.704 20 5 DHBDHN CC(C)(C)C[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298406 338190166 /nfs/dbraw/zinc/19/01/66/338190166.db2.gz OOQKXUVVWMICHO-MLGOLLRUSA-N 0 3 320.433 3.704 20 5 DHBDHN CCCCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000434700196 338223629 /nfs/dbraw/zinc/22/36/29/338223629.db2.gz RPXREYCJIZCNAM-UHFFFAOYSA-N 0 3 321.421 3.742 20 5 DHBDHN CC(C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435066931 338231617 /nfs/dbraw/zinc/23/16/17/338231617.db2.gz XDWMOAKVIZGHPO-CYBMUJFWSA-N 0 3 317.389 3.994 20 5 DHBDHN C[C@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000438121194 338333297 /nfs/dbraw/zinc/33/32/97/338333297.db2.gz YAJCAHXARNPGKI-CYBMUJFWSA-N 0 3 314.360 3.896 20 5 DHBDHN CO[C@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000447559864 338556694 /nfs/dbraw/zinc/55/66/94/338556694.db2.gz BIKFYUFYSBWSNI-JKSUJKDBSA-N 0 3 306.406 3.623 20 5 DHBDHN CC[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159712 338597909 /nfs/dbraw/zinc/59/79/09/338597909.db2.gz IJXCTCHXXNLZEF-DGCLKSJQSA-N 0 3 305.403 3.723 20 5 DHBDHN CO[C@H]([C@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000449625018 338642525 /nfs/dbraw/zinc/64/25/25/338642525.db2.gz AMKPZRMZFFEQAI-YVEFUNNKSA-N 0 3 306.406 3.621 20 5 DHBDHN C[C@@H](NCC(C)(C)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453395558 338837632 /nfs/dbraw/zinc/83/76/32/338837632.db2.gz XHTPJWFOBFNKCE-CYBMUJFWSA-N 0 3 306.406 3.577 20 5 DHBDHN CCO[C@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459653301 339040698 /nfs/dbraw/zinc/04/06/98/339040698.db2.gz XVUGRIQXZHSQFI-AKAXFMLLSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1ccc(CCCCNCc2cc(F)ccc2F)cc1 ZINC000462768148 339087603 /nfs/dbraw/zinc/08/76/03/339087603.db2.gz XMHICLYRNRIPOH-UHFFFAOYSA-N 0 3 320.339 3.986 20 5 DHBDHN COc1cc(CN2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000463482209 339119306 /nfs/dbraw/zinc/11/93/06/339119306.db2.gz AOGWGQSOLRMXLY-HNNXBMFYSA-N 0 3 322.380 3.897 20 5 DHBDHN Cc1ccc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067270 339132858 /nfs/dbraw/zinc/13/28/58/339132858.db2.gz BROJWLGTBCLVGV-HZPDHXFCSA-N 0 3 306.406 3.585 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000464096393 339134381 /nfs/dbraw/zinc/13/43/81/339134381.db2.gz YWPMWDCRBHHLPI-HOTGVXAUSA-N 0 3 306.406 3.585 20 5 DHBDHN COc1cc(CN2C[C@H](C)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464499011 339143581 /nfs/dbraw/zinc/14/35/81/339143581.db2.gz LRNNUIQHHPLEFE-NJZAAPMLSA-N 0 3 322.380 3.753 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](OCC(C)C)C1 ZINC000470184665 339313419 /nfs/dbraw/zinc/31/34/19/339313419.db2.gz SUFOFGUUVUGPAH-YHTSIIMFSA-N 0 3 318.417 3.745 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCCC2CCOCC2)c(Cl)c1 ZINC000470342360 339317798 /nfs/dbraw/zinc/31/77/98/339317798.db2.gz KKLRYKFTBNTVGQ-UHFFFAOYSA-N 0 3 312.797 3.545 20 5 DHBDHN CC1(C)C[C@H](NCC2(C(F)F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000479451616 339535654 /nfs/dbraw/zinc/53/56/54/339535654.db2.gz KCOGACFZMHVCHW-ZDUSSCGKSA-N 0 3 310.344 3.952 20 5 DHBDHN Cc1ccc(CN[C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000479585814 339542413 /nfs/dbraw/zinc/54/24/13/339542413.db2.gz BBQBSUDFGQXGOW-NVXWUHKLSA-N 0 3 306.406 3.587 20 5 DHBDHN C[C@H](COc1cccc(F)c1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481041124 339593969 /nfs/dbraw/zinc/59/39/69/339593969.db2.gz TYFROHYFLMPMJW-OLZOCXBDSA-N 0 3 318.348 3.852 20 5 DHBDHN COc1cc(CN[C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481186700 339597831 /nfs/dbraw/zinc/59/78/31/339597831.db2.gz IHHAMSPUIANXOE-COPLHBTASA-N 0 3 310.369 3.657 20 5 DHBDHN Cc1c(CN[C@@H]2CCCO[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000481722489 339611155 /nfs/dbraw/zinc/61/11/55/339611155.db2.gz ZVEJPTGKRPNVEG-WBVHZDCISA-N 0 3 306.406 3.587 20 5 DHBDHN CCC[C@@H](NC[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249974 339627594 /nfs/dbraw/zinc/62/75/94/339627594.db2.gz PXCQMAVYCSWZMF-MSOLQXFVSA-N 0 3 320.433 3.967 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000483549096 339668718 /nfs/dbraw/zinc/66/87/18/339668718.db2.gz XKIRVDQZYPCJQJ-STQMWFEESA-N 0 3 318.348 3.852 20 5 DHBDHN CO[C@]1(C)C[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873022 339677568 /nfs/dbraw/zinc/67/75/68/339677568.db2.gz SZHFRKGJWDBJTM-XGWLTEMNSA-N 0 3 306.406 3.757 20 5 DHBDHN CO[C@]1(C)C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873019 339677650 /nfs/dbraw/zinc/67/76/50/339677650.db2.gz SZHFRKGJWDBJTM-ISTRZQFTSA-N 0 3 306.406 3.757 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000505363270 340167158 /nfs/dbraw/zinc/16/71/58/340167158.db2.gz ZMBPZDYYBZXWAX-UHFFFAOYSA-N 0 3 314.332 3.961 20 5 DHBDHN COc1cccc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000505642513 340174066 /nfs/dbraw/zinc/17/40/66/340174066.db2.gz WKDVWSCRYBZVCK-TWGQIWQCSA-N 0 3 312.369 3.749 20 5 DHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000506761581 340201084 /nfs/dbraw/zinc/20/10/84/340201084.db2.gz ZTBLTRAMQOCVQZ-GQCTYLIASA-N 0 3 300.333 3.879 20 5 DHBDHN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000507208012 340213468 /nfs/dbraw/zinc/21/34/68/340213468.db2.gz FNNYEGCACLXFNG-RYUDHWBXSA-N 0 3 310.357 3.883 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000511072700 340320070 /nfs/dbraw/zinc/32/00/70/340320070.db2.gz LTOPVZFZEVPCIM-UHFFFAOYSA-N 0 3 304.777 3.923 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc2ccccc2n1 ZINC000511092597 340320342 /nfs/dbraw/zinc/32/03/42/340320342.db2.gz BOBXIYIHWSPEMO-UHFFFAOYSA-N 0 3 321.380 3.818 20 5 DHBDHN C[C@@H](NCCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173332386 340362599 /nfs/dbraw/zinc/36/25/99/340362599.db2.gz UWVDAXUWDYIZSB-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](COC(F)F)C1 ZINC000512844226 340380560 /nfs/dbraw/zinc/38/05/60/340380560.db2.gz MCBXRHZWJBREKE-VXGBXAGGSA-N 0 3 314.332 3.525 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1ccco1 ZINC000129575447 340972285 /nfs/dbraw/zinc/97/22/85/340972285.db2.gz PBMIKUOUTIETLE-BBRMVZONSA-N 0 3 300.358 3.689 20 5 DHBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1ccco1 ZINC000129575685 340972287 /nfs/dbraw/zinc/97/22/87/340972287.db2.gz PBMIKUOUTIETLE-CJNGLKHVSA-N 0 3 300.358 3.689 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)c1nccs1 ZINC000543627736 341051857 /nfs/dbraw/zinc/05/18/57/341051857.db2.gz XKGGVHVSUWWNBP-NWDGAFQWSA-N 0 3 305.403 3.814 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)c1nccs1 ZINC000543627737 341051861 /nfs/dbraw/zinc/05/18/61/341051861.db2.gz XKGGVHVSUWWNBP-RYUDHWBXSA-N 0 3 305.403 3.814 20 5 DHBDHN CC(C)[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370806 341078690 /nfs/dbraw/zinc/07/86/90/341078690.db2.gz MOVWIRCCLQSWGZ-WFASDCNBSA-N 0 3 312.797 3.541 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000544611515 341088866 /nfs/dbraw/zinc/08/88/66/341088866.db2.gz FUYPFYBOVJYNKS-HZPDHXFCSA-N 0 3 306.431 3.763 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(CCc2cccc(F)c2)C2CC2)c1 ZINC000078704891 341246428 /nfs/dbraw/zinc/24/64/28/341246428.db2.gz HAIGAEUANZLLLG-UHFFFAOYSA-N 0 3 314.360 3.941 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000548394777 341258621 /nfs/dbraw/zinc/25/86/21/341258621.db2.gz FNXJFXRLSSWUSB-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@](CO)(C(C)C)C1 ZINC000550063121 341309226 /nfs/dbraw/zinc/30/92/26/341309226.db2.gz GGPUTEGRWGOJLK-YJBOKZPZSA-N 0 3 320.433 3.695 20 5 DHBDHN CCOc1cc(CN2CC[C@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000550409485 341316397 /nfs/dbraw/zinc/31/63/97/341316397.db2.gz JRMXUJLFNBCFLC-OAHLLOKOSA-N 0 3 304.390 3.616 20 5 DHBDHN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000246517737 341352104 /nfs/dbraw/zinc/35/21/04/341352104.db2.gz KRJQNNSXEDEOHA-GDZNZVCISA-N 0 3 312.369 3.810 20 5 DHBDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248554794 341379701 /nfs/dbraw/zinc/37/97/01/341379701.db2.gz KDRJZVSMHXDODO-XYPHTWIQSA-N 0 3 306.406 3.839 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228827 341477866 /nfs/dbraw/zinc/47/78/66/341477866.db2.gz KJLHZRFVCSRQDS-HZMBPMFUSA-N 0 3 310.419 3.538 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000154233752 341586987 /nfs/dbraw/zinc/58/69/87/341586987.db2.gz GVOAFDRXJCMXET-WBMJQRKESA-N 0 3 324.446 3.930 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCOC2(CCCCC2)C1 ZINC000268958156 341605884 /nfs/dbraw/zinc/60/58/84/341605884.db2.gz HGPBYWSQYMCLFP-OAHLLOKOSA-N 0 3 304.390 3.566 20 5 DHBDHN Cc1c([C@@H](C)NCCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000156947754 341629312 /nfs/dbraw/zinc/62/93/12/341629312.db2.gz IEXVTFXOCSZIJA-OAHLLOKOSA-N 0 3 314.385 3.771 20 5 DHBDHN COCc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569000253 341687820 /nfs/dbraw/zinc/68/78/20/341687820.db2.gz DZEVPKLUYCTJDH-KRWDZBQOSA-N 0 3 312.369 3.518 20 5 DHBDHN CC[C@H]1CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575348078 341794076 /nfs/dbraw/zinc/79/40/76/341794076.db2.gz RCKMPLVBSOFRDQ-GXFFZTMASA-N 0 3 302.296 3.892 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CCCCC1(F)F ZINC000577077558 341884089 /nfs/dbraw/zinc/88/40/89/341884089.db2.gz QMDGUIXTWAVRLU-BXUZGUMPSA-N 0 3 310.344 3.997 20 5 DHBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000178733974 341963178 /nfs/dbraw/zinc/96/31/78/341963178.db2.gz BLXGGQWMMKPKRJ-SNVBAGLBSA-N 0 3 324.302 3.905 20 5 DHBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000266157091 520668474 /nfs/dbraw/zinc/66/84/74/520668474.db2.gz MIWDYIQTKYWOEF-YUELXQCFSA-N 0 3 324.808 3.541 20 5 DHBDHN COc1cc(C)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000155010207 522243255 /nfs/dbraw/zinc/24/32/55/522243255.db2.gz GDNGWQADFGKTKC-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN CC[C@H](NC[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157679862 522630493 /nfs/dbraw/zinc/63/04/93/522630493.db2.gz WODISNFGBDWEFN-IRXDYDNUSA-N 0 3 318.348 3.508 20 5 DHBDHN C[C@H](NC[C@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753847 525409624 /nfs/dbraw/zinc/40/96/24/525409624.db2.gz DDYSXYZQQVLWED-ZBEGNZNMSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1ccccc1[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214829 525431259 /nfs/dbraw/zinc/43/12/59/525431259.db2.gz ARKHNLDACXOUFJ-RDTXWAMCSA-N 0 3 314.385 3.596 20 5 DHBDHN C[C@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431662 525567380 /nfs/dbraw/zinc/56/73/80/525567380.db2.gz MQKXFGIEGXTMGB-GOEBONIOSA-N 0 3 311.385 3.524 20 5 DHBDHN Cc1c([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191266954 525918085 /nfs/dbraw/zinc/91/80/85/525918085.db2.gz CLNGDXYHCVWZAL-ZDUSSCGKSA-N 0 3 316.405 3.574 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](OCC(C)C)C1 ZINC000245534022 526090710 /nfs/dbraw/zinc/09/07/10/526090710.db2.gz VVNHUCHFPWARAM-GDBMZVCRSA-N 0 3 306.406 3.711 20 5 DHBDHN Cc1nc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000130493644 526826224 /nfs/dbraw/zinc/82/62/24/526826224.db2.gz XDXINPUIHZWUIM-NSHDSACASA-N 0 3 305.403 3.561 20 5 DHBDHN Cc1nc2c(s1)CCC[C@H]2CNCc1csc([N+](=O)[O-])c1 ZINC000366402772 527105671 /nfs/dbraw/zinc/10/56/71/527105671.db2.gz KFKDZFNPJPFHEA-NSHDSACASA-N 0 3 323.443 3.631 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000037563110 527330995 /nfs/dbraw/zinc/33/09/95/527330995.db2.gz MOCWAMHBADSFCI-ZJUUUORDSA-N 0 3 308.325 3.867 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2nc3ccccc3s2)cc1 ZINC000336849940 527351420 /nfs/dbraw/zinc/35/14/20/527351420.db2.gz KYJPBCWZIXKIEY-UHFFFAOYSA-N 0 3 313.382 3.537 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1CC1CCCCC1 ZINC001167255107 1013452909 /nfs/dbraw/zinc/45/29/09/1013452909.db2.gz CVMKXYRFTJUITO-MRXNPFEDSA-N 0 3 303.406 3.925 20 5 DHBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000519772399 1013600777 /nfs/dbraw/zinc/60/07/77/1013600777.db2.gz FOCDHDBVANYKBP-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN C[C@H]1c2ccsc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000052070781 1013796112 /nfs/dbraw/zinc/79/61/12/1013796112.db2.gz MXLVXTOKUOYIHE-LBPRGKRZSA-N 0 3 302.399 3.818 20 5 DHBDHN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341919 1013949459 /nfs/dbraw/zinc/94/94/59/1013949459.db2.gz JDFYZFSGJPDSIF-HUUCEWRRSA-N 0 3 311.385 3.524 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCOc1ccccc1F ZINC000050507867 1014353824 /nfs/dbraw/zinc/35/38/24/1014353824.db2.gz GIRPTLJNRUFBJU-ZDUSSCGKSA-N 0 3 318.348 3.806 20 5 DHBDHN CC[C@H](C)CN(CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177846145 1014414940 /nfs/dbraw/zinc/41/49/40/1014414940.db2.gz CPDQITPGKUSDPX-LBPRGKRZSA-N 0 3 318.377 3.513 20 5 DHBDHN C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001204768327 1014967748 /nfs/dbraw/zinc/96/77/48/1014967748.db2.gz HYGPNKKVFPQCMG-UWVGGRQHSA-N 0 3 302.296 3.701 20 5 DHBDHN Cc1ccc(-c2csc([C@@H]3CCCCN3)n2)cc1[N+](=O)[O-] ZINC000053251664 1015547827 /nfs/dbraw/zinc/54/78/27/1015547827.db2.gz LSGVKTMNTOBKDM-LBPRGKRZSA-N 0 3 303.387 3.841 20 5 DHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000065208713 1015971858 /nfs/dbraw/zinc/97/18/58/1015971858.db2.gz WTJJSGUKOHOQSL-UHFFFAOYSA-N 0 3 320.776 3.759 20 5 DHBDHN CSCCCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000185163301 1016672896 /nfs/dbraw/zinc/67/28/96/1016672896.db2.gz KTQNVBSGPIMHLX-UHFFFAOYSA-N 0 3 302.827 3.871 20 5 DHBDHN Cc1cnc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185304460 1016838517 /nfs/dbraw/zinc/83/85/17/1016838517.db2.gz ODMBYQKUXYEDGM-HNNXBMFYSA-N 0 3 317.414 3.643 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000349035157 1012119222 /nfs/dbraw/zinc/11/92/22/1012119222.db2.gz GYDSZGRBQCMAHU-UHFFFAOYSA-N 0 3 312.369 3.713 20 5 DHBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000425386981 1012541191 /nfs/dbraw/zinc/54/11/91/1012541191.db2.gz SOTGADLPYLTFKX-UHFFFAOYSA-N 0 3 313.195 3.732 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000516998808 1012884909 /nfs/dbraw/zinc/88/49/09/1012884909.db2.gz BWMWRJGDSSZVDW-LJQANCHMSA-N 0 3 324.380 3.565 20 5 DHBDHN COc1ccccc1CCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000075716791 1017324364 /nfs/dbraw/zinc/32/43/64/1017324364.db2.gz RNSPRZHETKNQOT-CQSZACIVSA-N 0 3 314.385 3.839 20 5 DHBDHN CCOCc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643192 1017365803 /nfs/dbraw/zinc/36/58/03/1017365803.db2.gz AWJFBPVZGOCNJB-AWEZNQCLSA-N 0 3 314.385 3.982 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959324 1017560759 /nfs/dbraw/zinc/56/07/59/1017560759.db2.gz SDZIHUNHBWPZPE-GMSGAONNSA-N 0 3 321.229 3.885 20 5 DHBDHN CC[C@@H](C)[C@@H](C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609446 1017588505 /nfs/dbraw/zinc/58/85/05/1017588505.db2.gz NCQPGHHXESBWSV-VXGBXAGGSA-N 0 3 316.405 3.870 20 5 DHBDHN Cc1c(CN2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444692708 1017634440 /nfs/dbraw/zinc/63/44/40/1017634440.db2.gz MSCRSEVTDKQINF-NSHDSACASA-N 0 3 302.296 3.678 20 5 DHBDHN Cc1cc(CN(C)CCOc2ccccc2[N+](=O)[O-])ccc1F ZINC000444731594 1017646915 /nfs/dbraw/zinc/64/69/15/1017646915.db2.gz GTBYWJROIFXZHT-UHFFFAOYSA-N 0 3 318.348 3.553 20 5 DHBDHN Cc1nc(CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 ZINC000125637079 1032714313 /nfs/dbraw/zinc/71/43/13/1032714313.db2.gz QIYGCHHQFDAOGH-UHFFFAOYSA-N 0 3 317.414 3.567 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCc2c1cccc2F ZINC000584182484 1019003684 /nfs/dbraw/zinc/00/36/84/1019003684.db2.gz BTDSJQDBTBXOIB-IRXDYDNUSA-N 0 3 312.344 3.998 20 5 DHBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171671215 1032826304 /nfs/dbraw/zinc/82/63/04/1032826304.db2.gz RTOQMNJKHPFZIT-ZDUSSCGKSA-N 0 3 314.360 3.896 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2cccnc2)CC1 ZINC000611258916 1019424024 /nfs/dbraw/zinc/42/40/24/1019424024.db2.gz GDIMFESEVNEMLO-AWEZNQCLSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411631 1019477407 /nfs/dbraw/zinc/47/74/07/1019477407.db2.gz GKXMLSGOKYZQPM-TZMCWYRMSA-N 0 3 317.414 3.904 20 5 DHBDHN C[C@H]1CC[C@@H](C(F)(F)F)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555044 1019518483 /nfs/dbraw/zinc/51/84/83/1019518483.db2.gz KJEPFHNUOFOWTF-WCQYABFASA-N 0 3 316.323 3.800 20 5 DHBDHN Cc1ccc([C@H](C)NCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000156936177 1020386350 /nfs/dbraw/zinc/38/63/50/1020386350.db2.gz BHXJLBDYBNYDPD-HNNXBMFYSA-N 0 3 314.385 3.771 20 5 DHBDHN COCCC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302105999 1020413910 /nfs/dbraw/zinc/41/39/10/1020413910.db2.gz XMUJOBODTUCAOZ-UHFFFAOYSA-N 0 3 315.373 3.680 20 5 DHBDHN Cc1c(CNCc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000236719221 1020638582 /nfs/dbraw/zinc/63/85/82/1020638582.db2.gz ILVHOGMXWDYMRH-UHFFFAOYSA-N 0 3 314.385 3.980 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cs1 ZINC000580128630 1020824126 /nfs/dbraw/zinc/82/41/26/1020824126.db2.gz POZXJLGDQLTYAR-UHFFFAOYSA-N 0 3 310.806 3.984 20 5 DHBDHN CC[C@@H](C)[C@H]1CCCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052954 1020860318 /nfs/dbraw/zinc/86/03/18/1020860318.db2.gz FZALQAWPUPFYBG-CZUORRHYSA-N 0 3 316.405 3.803 20 5 DHBDHN Cc1ccnc([C@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556931 1020890388 /nfs/dbraw/zinc/89/03/88/1020890388.db2.gz VXPUUJRAXBPUJW-ZBFHGGJFSA-N 0 3 311.385 3.849 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667067 1020970399 /nfs/dbraw/zinc/97/03/99/1020970399.db2.gz QVDVADOSLSCJNQ-UWVGGRQHSA-N 0 3 320.311 3.843 20 5 DHBDHN Cc1noc(CNC(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000851903364 1022035945 /nfs/dbraw/zinc/03/59/45/1022035945.db2.gz TVXMXEVGRBFPQX-UHFFFAOYSA-N 0 3 307.394 3.730 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OCCC(C)C)CC1 ZINC000183289321 1022084576 /nfs/dbraw/zinc/08/45/76/1022084576.db2.gz ALHJPVZMUAVDRT-UHFFFAOYSA-N 0 3 320.433 3.930 20 5 DHBDHN C[C@@H](N)c1ccn(-c2nc3c(ccc4ccccc43)nc2Cl)n1 ZINC001169231989 1022315068 /nfs/dbraw/zinc/31/50/68/1022315068.db2.gz YFYCWOJVZZCNTI-SNVBAGLBSA-N 0 3 323.787 3.642 20 5 DHBDHN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)C(C)C ZINC000128464020 1022405883 /nfs/dbraw/zinc/40/58/83/1022405883.db2.gz GUUNYQTWGAXBDD-LBPRGKRZSA-N 0 3 318.377 3.511 20 5 DHBDHN CN(C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000067913760 1022450482 /nfs/dbraw/zinc/45/04/82/1022450482.db2.gz WDSPXXCPLHMPMM-ZDUSSCGKSA-N 0 3 309.366 3.510 20 5 DHBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481841 1023891530 /nfs/dbraw/zinc/89/15/30/1023891530.db2.gz JNMRUESFQDZGHO-CHWSQXEVSA-N 0 3 312.410 3.840 20 5 DHBDHN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499520 1023896389 /nfs/dbraw/zinc/89/63/89/1023896389.db2.gz VNNZOXPYNZJBJM-YVEFUNNKSA-N 0 3 311.385 3.905 20 5 DHBDHN c1ccc2c(c1)nc(NCCN1CCSCC1)c1ccccc21 ZINC001167840129 1024638763 /nfs/dbraw/zinc/63/87/63/1024638763.db2.gz ZMXIIXPWAWBGFM-UHFFFAOYSA-N 0 3 323.465 3.849 20 5 DHBDHN C[C@@H](N(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(C)(C)C ZINC000728897212 1024789953 /nfs/dbraw/zinc/78/99/53/1024789953.db2.gz LSNPBPAPCCUQJT-CYBMUJFWSA-N 0 3 316.405 3.782 20 5 DHBDHN Cc1ccc(CC[C@H](C)NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000350258940 1024800572 /nfs/dbraw/zinc/80/05/72/1024800572.db2.gz XLPFRBGVOHDWBU-NSHDSACASA-N 0 3 306.337 3.746 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(CCc1cccs1)C1CC1 ZINC000135219728 1025194856 /nfs/dbraw/zinc/19/48/56/1025194856.db2.gz HFEFNJPSEKXVAT-UHFFFAOYSA-N 0 3 302.399 3.863 20 5 DHBDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000356274847 1026002193 /nfs/dbraw/zinc/00/21/93/1026002193.db2.gz RYMUGHXQOVMPLQ-SJCJKPOMSA-N 0 3 318.348 3.600 20 5 DHBDHN COC1(C[C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000759999406 1026012062 /nfs/dbraw/zinc/01/20/62/1026012062.db2.gz KZEQTARXYMLQAF-NSHDSACASA-N 0 3 312.797 3.686 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2nc(CNC3(C4CC4)CCC3)co2)cc1 ZINC000887147226 1026104964 /nfs/dbraw/zinc/10/49/64/1026104964.db2.gz DETRCKMYTWVWKX-UHFFFAOYSA-N 0 3 313.357 3.672 20 5 DHBDHN CCC(O)(CC)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476817 1027017335 /nfs/dbraw/zinc/01/73/35/1027017335.db2.gz SHJPSNJDQQLWED-UHFFFAOYSA-N 0 3 321.204 3.542 20 5 DHBDHN Cc1sc(C(=O)OCC(C)[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000813105570 1027522152 /nfs/dbraw/zinc/52/21/52/1027522152.db2.gz PCJCBXPLQMDJOH-VIFPVBQESA-N 0 3 323.345 3.685 20 5 DHBDHN CC(COC(=O)CCCc1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000813114931 1027534650 /nfs/dbraw/zinc/53/46/50/1027534650.db2.gz YAHXZJACFWYKKU-VIFPVBQESA-N 0 3 320.172 3.525 20 5 DHBDHN Cc1ccc2c(Cl)c(C(=O)OCC(C)[N+](=O)[O-])sc2c1 ZINC000813115171 1027535636 /nfs/dbraw/zinc/53/56/36/1027535636.db2.gz LUNPBOJGGWKHFG-QMMMGPOBSA-N 0 3 313.762 3.685 20 5 DHBDHN O=[N+]([O-])c1cccc(CNCc2ccccc2-c2ccncc2)c1 ZINC000363519823 1027663442 /nfs/dbraw/zinc/66/34/42/1027663442.db2.gz LJYDAWZUARFLKT-UHFFFAOYSA-N 0 3 319.364 3.947 20 5 DHBDHN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000933491877 1027744953 /nfs/dbraw/zinc/74/49/53/1027744953.db2.gz QHLNVZLBHLYFEO-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[C@H](F)C2)c1 ZINC000577869642 1027969435 /nfs/dbraw/zinc/96/94/35/1027969435.db2.gz VHSNSTBYRKANMP-QWRGUYRKSA-N 0 3 318.295 3.567 20 5 DHBDHN COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266049 1028049538 /nfs/dbraw/zinc/04/95/38/1028049538.db2.gz ZVJGGGLQDAOSLU-KZULUSFZSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2cn[nH]c2)CC1 ZINC000368034167 1028283065 /nfs/dbraw/zinc/28/30/65/1028283065.db2.gz DWAHRPIBVDFPKU-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815565000 1028545994 /nfs/dbraw/zinc/54/59/94/1028545994.db2.gz ZUAUFUITJSTCTH-WDEREUQCSA-N 0 3 305.403 3.959 20 5 DHBDHN C[C@H](NCc1coc2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593588 1028562701 /nfs/dbraw/zinc/56/27/01/1028562701.db2.gz QZYKZHLRNNJVBU-NSHDSACASA-N 0 3 311.341 3.774 20 5 DHBDHN Cc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC000815616066 1028571953 /nfs/dbraw/zinc/57/19/53/1028571953.db2.gz FDTDGOFOXDZJCJ-NSHDSACASA-N 0 3 319.792 3.990 20 5 DHBDHN Cc1noc(C)c1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449496226 1028709498 /nfs/dbraw/zinc/70/94/98/1028709498.db2.gz GEWIVPUEEDFBLG-HNNXBMFYSA-N 0 3 315.373 3.579 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCOC2)CC1 ZINC000371636700 1028737566 /nfs/dbraw/zinc/73/75/66/1028737566.db2.gz DOALVGSIKNJYNP-YOEHRIQHSA-N 0 3 318.417 3.794 20 5 DHBDHN COc1cccc([C@H]2C[C@H](NCc3csc([N+](=O)[O-])c3)C2)c1 ZINC000449617664 1028869062 /nfs/dbraw/zinc/86/90/62/1028869062.db2.gz WGNWWXYHUDFAQR-HDJSIYSDSA-N 0 3 318.398 3.701 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900341 1030245519 /nfs/dbraw/zinc/24/55/19/1030245519.db2.gz NXEIUFRLNNCLTF-KCJUWKMLSA-N 0 3 319.188 3.559 20 5 DHBDHN CCC[C@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021262 1031038137 /nfs/dbraw/zinc/03/81/37/1031038137.db2.gz MLNBNSKWWKEWEU-AAEUAGOBSA-N 0 3 312.435 3.518 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1cnn(C)c1)C(C)C ZINC000927065295 1031060823 /nfs/dbraw/zinc/06/08/23/1031060823.db2.gz GYAKIJHCNWZIJL-DYVFJYSZSA-N 0 3 316.405 3.685 20 5 DHBDHN C[C@H](N[C@@H]1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053038 1031441130 /nfs/dbraw/zinc/44/11/30/1031441130.db2.gz WAMUKUSMSQGPPA-YWPYICTPSA-N 0 3 324.396 3.978 20 5 DHBDHN CC(C)C[C@@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058051 1031449751 /nfs/dbraw/zinc/44/97/51/1031449751.db2.gz MRCQKCNEMDMEIG-MELADBBJSA-N 0 3 324.396 3.978 20 5 DHBDHN COC1(CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCC1 ZINC000872059484 1031451234 /nfs/dbraw/zinc/45/12/34/1031451234.db2.gz GACCGBCRAWNGCS-LLVKDONJSA-N 0 3 310.419 3.536 20 5 DHBDHN Cc1cccc(CCCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872069130 1031464454 /nfs/dbraw/zinc/46/44/54/1031464454.db2.gz LKLMSNRVEDNIHA-ZDUSSCGKSA-N 0 3 317.364 3.721 20 5 DHBDHN CSCC1(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872086221 1031481587 /nfs/dbraw/zinc/48/15/87/1031481587.db2.gz VLVDEGSMEPQXRQ-LLVKDONJSA-N 0 3 312.410 3.918 20 5 DHBDHN COc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873007041 1031691535 /nfs/dbraw/zinc/69/15/35/1031691535.db2.gz WCEHKXLIGLVUPI-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN CC([C@H](OC(=O)CCC1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876650 1031748100 /nfs/dbraw/zinc/74/81/00/1031748100.db2.gz NHPGCPFUZGPWPS-ZBEGNZNMSA-N 0 3 309.337 3.656 20 5 DHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)o1 ZINC000845872312 1031749313 /nfs/dbraw/zinc/74/93/13/1031749313.db2.gz GNAVPUUCHAUPRI-MEBBXXQBSA-N 0 3 321.304 3.599 20 5 DHBDHN CC([C@H](OC(=O)C[C@@H](C)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845880156 1031752210 /nfs/dbraw/zinc/75/22/10/1031752210.db2.gz YVDCLSMRMLZAMC-UVWXRNBGSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845884581 1031753132 /nfs/dbraw/zinc/75/31/32/1031753132.db2.gz ZZYCHSAUEIHJGZ-QMTHXVAHSA-N 0 3 323.345 3.759 20 5 DHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845884580 1031754873 /nfs/dbraw/zinc/75/48/73/1031754873.db2.gz ZZYCHSAUEIHJGZ-IINYFYTJSA-N 0 3 323.345 3.759 20 5 DHBDHN CC[C@@H]1CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777954175 1032026595 /nfs/dbraw/zinc/02/65/95/1032026595.db2.gz CYZSGLFXTCWFBE-CQSZACIVSA-N 0 3 314.389 3.538 20 5 DHBDHN CN(CC1CCCC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954269 1032027790 /nfs/dbraw/zinc/02/77/90/1032027790.db2.gz ILYKSWPJESBBKN-UHFFFAOYSA-N 0 3 314.389 3.538 20 5 DHBDHN CCN(CC(C)C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153739027 1033590967 /nfs/dbraw/zinc/59/09/67/1033590967.db2.gz WOHHHCYNILLRJF-GFCCVEGCSA-N 0 3 318.377 3.684 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cc(F)c1F ZINC001173213516 1033614238 /nfs/dbraw/zinc/61/42/38/1033614238.db2.gz IDKUNDNFHRRECM-SNVBAGLBSA-N 0 3 324.302 3.733 20 5 DHBDHN C[C@@H](N[C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439061 1033709338 /nfs/dbraw/zinc/70/93/38/1033709338.db2.gz PSAOZHYWAUWUGK-RDTXWAMCSA-N 0 3 314.385 3.759 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000878647880 1033781894 /nfs/dbraw/zinc/78/18/94/1033781894.db2.gz JVSAIZWHXUXVSQ-MRXNPFEDSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc([C@H](C)NCc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548828 1034245023 /nfs/dbraw/zinc/24/50/23/1034245023.db2.gz PRMKSULJMQGTOU-KBPBESRZSA-N 0 3 314.385 3.807 20 5 DHBDHN C[C@H](NCCO[C@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480884848 1034493367 /nfs/dbraw/zinc/49/33/67/1034493367.db2.gz NZYKZCXXDVSIFJ-ZQIUZPCESA-N 0 3 306.406 3.841 20 5 DHBDHN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184676969 1034493451 /nfs/dbraw/zinc/49/34/51/1034493451.db2.gz MSTWAKIBRFPCAL-CYBMUJFWSA-N 0 3 314.385 3.673 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCC[C@H]2C2CCOCC2)ccc1Cl ZINC000777442453 1034745148 /nfs/dbraw/zinc/74/51/48/1034745148.db2.gz KHOPQZMIWXSDHC-HNNXBMFYSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@H]1[C@H](C(F)(F)F)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768368 1034969349 /nfs/dbraw/zinc/96/93/49/1034969349.db2.gz MNZHOGHAZULYKR-SMDDNHRTSA-N 0 3 316.323 3.800 20 5 DHBDHN CCC(O)(CC)C(C)(C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001175568578 1035045445 /nfs/dbraw/zinc/04/54/45/1035045445.db2.gz AUHOBFPOFXMDGK-UHFFFAOYSA-N 0 3 314.813 3.668 20 5 DHBDHN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCCC1 ZINC000089891037 1035770804 /nfs/dbraw/zinc/77/08/04/1035770804.db2.gz LRNORFNXNPKFNS-UHFFFAOYSA-N 0 3 315.373 3.872 20 5 DHBDHN C[C@H](Cc1ccsc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000541234893 1036265521 /nfs/dbraw/zinc/26/55/21/1036265521.db2.gz RXAXBMGFUJWWNE-GFCCVEGCSA-N 0 3 302.399 3.646 20 5 DHBDHN CC(C)CC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000541547034 1036351518 /nfs/dbraw/zinc/35/15/18/1036351518.db2.gz NMQWFPUCTPKJIP-HNNXBMFYSA-N 0 3 314.813 3.525 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCOCc1ccccc1 ZINC000464852265 1036473929 /nfs/dbraw/zinc/47/39/29/1036473929.db2.gz QVHLQCYNNUAKLU-OAHLLOKOSA-N 0 3 314.385 3.804 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840158 1036562937 /nfs/dbraw/zinc/56/29/37/1036562937.db2.gz BJUGWUNYNDEEJI-ZIAGYGMSSA-N 0 3 314.385 3.807 20 5 DHBDHN CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)CC(C)(C)C ZINC000774636061 1036599219 /nfs/dbraw/zinc/59/92/19/1036599219.db2.gz KCYGKAKVGDZQLJ-UHFFFAOYSA-N 0 3 310.785 3.533 20 5 DHBDHN Cc1ccc([C@H](C)NCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000316293178 1037084135 /nfs/dbraw/zinc/08/41/35/1037084135.db2.gz KZPDMCSHBJAQHM-AWEZNQCLSA-N 0 3 306.406 3.903 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC001186872266 1037510389 /nfs/dbraw/zinc/51/03/89/1037510389.db2.gz LQQSXBJBVNAUGU-HUUCEWRRSA-N 0 3 309.797 3.677 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCC(=O)OC(C)(C)C ZINC000490090298 1037609137 /nfs/dbraw/zinc/60/91/37/1037609137.db2.gz PXTSDILIFKBKBI-CYBMUJFWSA-N 0 3 322.405 3.628 20 5 DHBDHN C[C@@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000588854691 1038388347 /nfs/dbraw/zinc/38/83/47/1038388347.db2.gz AMPDOGPEJFXCEI-OCCSQVGLSA-N 0 3 317.414 3.731 20 5 DHBDHN CC[C@H](C)[C@@H](C)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000249747604 1038509483 /nfs/dbraw/zinc/50/94/83/1038509483.db2.gz NSCICNJVHHVXMU-QJPTWQEYSA-N 0 3 318.377 3.730 20 5 DHBDHN CCOc1cc(CN2CCC(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000590008178 1038563767 /nfs/dbraw/zinc/56/37/67/1038563767.db2.gz HXFRWZKJTTWYEY-UHFFFAOYSA-N 0 3 304.390 3.616 20 5 DHBDHN CCC(F)(F)C(C)(C)CNCc1ccc([N+](=O)[O-])cc1F ZINC000599000901 1038980184 /nfs/dbraw/zinc/98/01/84/1038980184.db2.gz PKTKSLFDOMNKIJ-UHFFFAOYSA-N 0 3 304.312 3.895 20 5 DHBDHN COCCC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000599059162 1039017394 /nfs/dbraw/zinc/01/73/94/1039017394.db2.gz NTGKISUBVZOJRC-CQSZACIVSA-N 0 3 306.406 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CCCC4(CC4)CC3)nc2c1 ZINC000599673538 1039251744 /nfs/dbraw/zinc/25/17/44/1039251744.db2.gz SPQMIQUSPADIJW-UHFFFAOYSA-N 0 3 301.346 3.502 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000594968689 1039946722 /nfs/dbraw/zinc/94/67/22/1039946722.db2.gz HPKMZYXTHNSOBS-MQMHXKEQSA-N 0 3 316.357 3.512 20 5 DHBDHN CC(C)(C)OCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000594974479 1039948279 /nfs/dbraw/zinc/94/82/79/1039948279.db2.gz MESQCGBDTOIGEU-UHFFFAOYSA-N 0 3 300.786 3.543 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCCC(F)(F)C1 ZINC000595022535 1039988752 /nfs/dbraw/zinc/98/87/52/1039988752.db2.gz MKMOGVFYUWJWLU-WDEREUQCSA-N 0 3 314.332 3.832 20 5 DHBDHN COc1cccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000594999487 1040014616 /nfs/dbraw/zinc/01/46/16/1040014616.db2.gz TVABDQZVSJBIAI-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594043808 1040016562 /nfs/dbraw/zinc/01/65/62/1040016562.db2.gz OYEKVMXBEROQCP-CABCVRRESA-N 0 3 312.797 3.686 20 5 DHBDHN CCSC1(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595092588 1040079879 /nfs/dbraw/zinc/07/98/79/1040079879.db2.gz LNKMYTBIEWQFCQ-NSHDSACASA-N 0 3 310.419 3.540 20 5 DHBDHN CCOc1cc(CN2CCC[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595755507 1040243255 /nfs/dbraw/zinc/24/32/55/1040243255.db2.gz NBZDOLPQUZSMEP-ZDUSSCGKSA-N 0 3 310.369 3.565 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000595787535 1040252956 /nfs/dbraw/zinc/25/29/56/1040252956.db2.gz JRLNHUMXEHCXGW-KBXCAEBGSA-N 0 3 318.417 3.937 20 5 DHBDHN CC1(C)C[C@H](NCc2cccc(N)c2)c2cc([N+](=O)[O-])ccc21 ZINC000596653055 1040522520 /nfs/dbraw/zinc/52/25/20/1040522520.db2.gz ZDKAXIGNRCPEJO-KRWDZBQOSA-N 0 3 311.385 3.689 20 5 DHBDHN CC(C)(C)OCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836853 1040625103 /nfs/dbraw/zinc/62/51/03/1040625103.db2.gz KSWYFGBMIIERCJ-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCc4ccccc43)nc2c1 ZINC000602560661 1041097643 /nfs/dbraw/zinc/09/76/43/1041097643.db2.gz ZOIJACBPRQOHCB-CYBMUJFWSA-N 0 3 323.352 3.556 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCCSC1 ZINC000602564523 1041097719 /nfs/dbraw/zinc/09/77/19/1041097719.db2.gz ACIMEVJLKFRHKM-NSHDSACASA-N 0 3 320.336 3.599 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCC(F)(F)C1 ZINC000602578152 1041111296 /nfs/dbraw/zinc/11/12/96/1041111296.db2.gz WAIDDFXXEITAAC-JTQLQIEISA-N 0 3 324.249 3.891 20 5 DHBDHN CSC1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602640391 1041127386 /nfs/dbraw/zinc/12/73/86/1041127386.db2.gz QGYVNDSAVONYAZ-UHFFFAOYSA-N 0 3 320.336 3.599 20 5 DHBDHN C[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691833 1041154934 /nfs/dbraw/zinc/15/49/34/1041154934.db2.gz UCTMPLDWPFLNRE-KWQFWETISA-N 0 3 320.336 3.597 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000272409641 130027169 /nfs/dbraw/zinc/02/71/69/130027169.db2.gz FOQPBSMSGHVPKD-KBPBESRZSA-N 0 3 314.389 3.567 20 5 DHBDHN COC1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272784245 130063970 /nfs/dbraw/zinc/06/39/70/130063970.db2.gz IGDPQEVSHLPMOG-UHFFFAOYSA-N 0 3 312.797 3.638 20 5 DHBDHN Cc1cc(C)cc(OCCNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000518759701 332896648 /nfs/dbraw/zinc/89/66/48/332896648.db2.gz AOBDJZVCQZRUTJ-UHFFFAOYSA-N 0 3 314.385 3.689 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC2(CCCC2)CC1 ZINC000569532742 332127116 /nfs/dbraw/zinc/12/71/16/332127116.db2.gz XOOFOPFPLGWNJP-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCN2CCC3(CCCC3)CC2)cc1 ZINC000573590088 332142473 /nfs/dbraw/zinc/14/24/73/332142473.db2.gz ACZLDVQCWQMUSP-UHFFFAOYSA-N 0 3 304.390 3.630 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCc2cc(F)ccc21 ZINC000584302234 332230420 /nfs/dbraw/zinc/23/04/20/332230420.db2.gz XDKTZIBBLGFRHX-IRXDYDNUSA-N 0 3 312.344 3.998 20 5 DHBDHN Cc1cc(NCCc2cscn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302193512 332984594 /nfs/dbraw/zinc/98/45/94/332984594.db2.gz RSYJOOGMCBCQTA-UHFFFAOYSA-N 0 3 314.370 3.563 20 5 DHBDHN CC[C@H]1C[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445798 333021245 /nfs/dbraw/zinc/02/12/45/333021245.db2.gz JYHLMSUUMPDCPT-RISCZKNCSA-N 0 3 312.797 3.543 20 5 DHBDHN Cc1ncsc1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841561 333034327 /nfs/dbraw/zinc/03/43/27/333034327.db2.gz JUMHSYUJMVSCIC-LLVKDONJSA-N 0 3 305.403 3.561 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC000319273472 333279523 /nfs/dbraw/zinc/27/95/23/333279523.db2.gz DJFPXMNRKKGWGU-AWEZNQCLSA-N 0 3 300.333 3.723 20 5 DHBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2SCCc3ccccc32)c1 ZINC000531389872 333349051 /nfs/dbraw/zinc/34/90/51/333349051.db2.gz PPZTZSHOYVCYKY-KRWDZBQOSA-N 0 3 314.410 3.715 20 5 DHBDHN C[C@@H](NC[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662408 333384611 /nfs/dbraw/zinc/38/46/11/333384611.db2.gz WCYCIJGQORXQLS-CXAGYDPISA-N 0 3 306.406 3.577 20 5 DHBDHN COC1([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000414529282 334008767 /nfs/dbraw/zinc/00/87/67/334008767.db2.gz VIAWMCKOUSTKJS-CYBMUJFWSA-N 0 3 306.406 3.765 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc2c(c1)CCCN2 ZINC000414968356 334215218 /nfs/dbraw/zinc/21/52/18/334215218.db2.gz CIHURNOILKZULV-ZZXKWVIFSA-N 0 3 323.396 3.756 20 5 DHBDHN C[C@@H](CC(C)(C)O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295066113 334216874 /nfs/dbraw/zinc/21/68/74/334216874.db2.gz OVSUVUKTAGFSMS-QMMMGPOBSA-N 0 3 321.204 3.541 20 5 DHBDHN C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1C ZINC000388773371 334269949 /nfs/dbraw/zinc/26/99/49/334269949.db2.gz GFWUWAVVRHWXPO-MWLCHTKSSA-N 0 3 317.311 3.508 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858282 334287551 /nfs/dbraw/zinc/28/75/51/334287551.db2.gz HOOMGJVBUYTCNC-JSGCOSHPSA-N 0 3 322.405 3.602 20 5 DHBDHN C[C@H](NCCO[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938547 334299517 /nfs/dbraw/zinc/29/95/17/334299517.db2.gz OBFWXWWUIXZRGA-JKIFEVAISA-N 0 3 306.406 3.841 20 5 DHBDHN CS[C@H]1CC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343277 334803690 /nfs/dbraw/zinc/80/36/90/334803690.db2.gz RMWGKUYQTQMVBV-RYUDHWBXSA-N 0 3 320.336 3.597 20 5 DHBDHN CC(C)[C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687463 338482655 /nfs/dbraw/zinc/48/26/55/338482655.db2.gz VDGYSJIMJFMHFN-UONOGXRCSA-N 0 3 316.405 3.776 20 5 DHBDHN COCC[C@@H]1CCCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000332233058 336164218 /nfs/dbraw/zinc/16/42/18/336164218.db2.gz FNTUOAGIQOZEJB-HNNXBMFYSA-N 0 3 306.406 3.542 20 5 DHBDHN O=[N+]([O-])c1ccccc1OCCNC1(c2ccccc2)CCC1 ZINC000532658708 336265121 /nfs/dbraw/zinc/26/51/21/336265121.db2.gz ZVGRDUMNULHIFD-UHFFFAOYSA-N 0 3 312.369 3.643 20 5 DHBDHN CCCN(Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCCO1 ZINC000532714507 336267876 /nfs/dbraw/zinc/26/78/76/336267876.db2.gz OYNKIFQZMULRSI-MRXNPFEDSA-N 0 3 306.406 3.684 20 5 DHBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000301139116 336291836 /nfs/dbraw/zinc/29/18/36/336291836.db2.gz GCDUMWIUWAWTJI-MRXNPFEDSA-N 0 3 315.373 3.745 20 5 DHBDHN Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccs1)N(C)C ZINC000301185486 336293820 /nfs/dbraw/zinc/29/38/20/336293820.db2.gz PAGDZRLDEJIACM-ZDUSSCGKSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)N(C)C ZINC000301442548 336307102 /nfs/dbraw/zinc/30/71/02/336307102.db2.gz NRYJXOWEQXCPFN-CQSZACIVSA-N 0 3 305.403 3.680 20 5 DHBDHN Cc1cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970287 336340561 /nfs/dbraw/zinc/34/05/61/336340561.db2.gz DHPNWWIUAIUYNL-FUHWJXTLSA-N 0 3 311.385 3.761 20 5 DHBDHN Cc1cc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970286 336340583 /nfs/dbraw/zinc/34/05/83/336340583.db2.gz DHPNWWIUAIUYNL-AEFFLSMTSA-N 0 3 311.385 3.761 20 5 DHBDHN CN1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000302797414 336369490 /nfs/dbraw/zinc/36/94/90/336369490.db2.gz ANMPALCOCWECLY-JKSUJKDBSA-N 0 3 315.348 3.591 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc2n[nH]cc2c1 ZINC000353105655 336402646 /nfs/dbraw/zinc/40/26/46/336402646.db2.gz BMPYQRDENHLBCY-GFCCVEGCSA-N 0 3 310.357 3.630 20 5 DHBDHN CCOc1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000584378148 337232764 /nfs/dbraw/zinc/23/27/64/337232764.db2.gz YMSOVLYQLJZQQU-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](c1cccnc1)C1CC1 ZINC000514679918 337389488 /nfs/dbraw/zinc/38/94/88/337389488.db2.gz RCYRJBPBKRQNRD-SJLPKXTDSA-N 0 3 309.369 3.718 20 5 DHBDHN C[C@H](NCc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000195147185 337465517 /nfs/dbraw/zinc/46/55/17/337465517.db2.gz PUCZXLSBOFNATP-ZDUSSCGKSA-N 0 3 307.353 3.994 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895868 337581312 /nfs/dbraw/zinc/58/13/12/337581312.db2.gz XFYGHCYMZAFUKN-USXIJHARSA-N 0 3 316.401 3.519 20 5 DHBDHN Cc1cccc(OCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000315034174 337979451 /nfs/dbraw/zinc/97/94/51/337979451.db2.gz XJPDNJPNJAEEGH-CQSZACIVSA-N 0 3 300.358 3.633 20 5 DHBDHN CC(C)N(CCOc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000516307979 338010203 /nfs/dbraw/zinc/01/02/03/338010203.db2.gz YDGUZVKBZSFEBJ-UHFFFAOYSA-N 0 3 320.414 3.946 20 5 DHBDHN CC(C)(NCCOc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429239491 338074354 /nfs/dbraw/zinc/07/43/54/338074354.db2.gz QRRZCZPEFDWLKX-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN Cc1c(CNCCSCc2ccccc2)cccc1[N+](=O)[O-] ZINC000430762826 338114163 /nfs/dbraw/zinc/11/41/63/338114163.db2.gz NAMYSNQOUVQODJ-UHFFFAOYSA-N 0 3 316.426 3.926 20 5 DHBDHN C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000432145349 338147050 /nfs/dbraw/zinc/14/70/50/338147050.db2.gz RNUBLVVWVNRIAQ-GFCCVEGCSA-N 0 3 323.824 3.559 20 5 DHBDHN C[C@@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046843 338178272 /nfs/dbraw/zinc/17/82/72/338178272.db2.gz QPHPXSHNTALTBI-PWSUYJOCSA-N 0 3 314.332 3.817 20 5 DHBDHN CSc1ccc(CCNCc2ccccc2[N+](=O)[O-])cc1 ZINC000435742197 338247466 /nfs/dbraw/zinc/24/74/66/338247466.db2.gz TVPHFIFITAIITC-UHFFFAOYSA-N 0 3 302.399 3.649 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCCCCOc1ccccc1 ZINC000438091511 338330963 /nfs/dbraw/zinc/33/09/63/338330963.db2.gz ZCYMZNGOFCEMDE-UHFFFAOYSA-N 0 3 314.385 3.934 20 5 DHBDHN CCO[C@@H](CNCc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194464681 338532439 /nfs/dbraw/zinc/53/24/39/338532439.db2.gz KXRJPYBBSZJAHY-SFHVURJKSA-N 0 3 314.385 3.771 20 5 DHBDHN CC1=CCC[C@@H](C)[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829939 338537245 /nfs/dbraw/zinc/53/72/45/338537245.db2.gz MXQVMPPLFHYSHK-TZMCWYRMSA-N 0 3 314.389 3.553 20 5 DHBDHN C[C@H](CCNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000446846182 338538330 /nfs/dbraw/zinc/53/83/30/338538330.db2.gz WKXSNIRRRMKYCO-CYBMUJFWSA-N 0 3 324.384 3.755 20 5 DHBDHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348300 338615997 /nfs/dbraw/zinc/61/59/97/338615997.db2.gz LQYOELUYSBNRFN-YOEHRIQHSA-N 0 3 314.385 3.503 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686214 338699158 /nfs/dbraw/zinc/69/91/58/338699158.db2.gz MSHBWYSZYGXNLV-GDBMZVCRSA-N 0 3 314.385 3.503 20 5 DHBDHN CC[C@H](N[C@@H]1C[C@@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131941 338797705 /nfs/dbraw/zinc/79/77/05/338797705.db2.gz MDNXNOPNLMMLBX-ARFHVFGLSA-N 0 3 304.390 3.593 20 5 DHBDHN CC[C@H](N[C@H]1C[C@@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131942 338797743 /nfs/dbraw/zinc/79/77/43/338797743.db2.gz MDNXNOPNLMMLBX-HRCADAONSA-N 0 3 304.390 3.593 20 5 DHBDHN Cc1c([C@H](C)NCC(C)(C)C2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000453366201 338832504 /nfs/dbraw/zinc/83/25/04/338832504.db2.gz CWRTXNLKFOWTOM-AWEZNQCLSA-N 0 3 320.433 3.885 20 5 DHBDHN CC[C@@H]1OCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459746790 339045919 /nfs/dbraw/zinc/04/59/19/339045919.db2.gz VCNGQCUZOUNRCM-CVEARBPZSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNC3(C4CCC4)CCC3)nc2c1 ZINC000459780482 339048212 /nfs/dbraw/zinc/04/82/12/339048212.db2.gz VOSFIILLGFGGQE-UHFFFAOYSA-N 0 3 301.346 3.548 20 5 DHBDHN Cc1oc2ccccc2c1CCNCc1ccccc1[N+](=O)[O-] ZINC000463730730 339124842 /nfs/dbraw/zinc/12/48/42/339124842.db2.gz PNEJBKUFTZMMFA-UHFFFAOYSA-N 0 3 310.353 3.982 20 5 DHBDHN COc1cc(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464499009 339143623 /nfs/dbraw/zinc/14/36/23/339143623.db2.gz LRNNUIQHHPLEFE-CORIIIEPSA-N 0 3 322.380 3.753 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](C)C(F)(F)F ZINC000468601554 339266906 /nfs/dbraw/zinc/26/69/06/339266906.db2.gz UZSIOPDHMVLBSC-RUYJGKKWSA-N 0 3 302.296 3.786 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](C)C(F)(F)F ZINC000468601555 339266911 /nfs/dbraw/zinc/26/69/11/339266911.db2.gz UZSIOPDHMVLBSC-SDKXAQGSSA-N 0 3 302.296 3.786 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCOC1CCCC1 ZINC000468630436 339267494 /nfs/dbraw/zinc/26/74/94/339267494.db2.gz HRXNLPCWFKJHAY-KAMYIIQDSA-N 0 3 304.390 3.547 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc2c(c1)COC2 ZINC000468737294 339269606 /nfs/dbraw/zinc/26/96/06/339269606.db2.gz FFGPNVPHNFFWHN-AUWJEWJLSA-N 0 3 324.380 3.818 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1CCCC1 ZINC000473733449 339391022 /nfs/dbraw/zinc/39/10/22/339391022.db2.gz IFOUHIQXPJTDMH-SFHVURJKSA-N 0 3 320.433 3.746 20 5 DHBDHN C[C@@H](NC[C@H](C)Oc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483549095 339668697 /nfs/dbraw/zinc/66/86/97/339668697.db2.gz XKIRVDQZYPCJQJ-QWHCGFSZSA-N 0 3 318.348 3.852 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000483830594 339675335 /nfs/dbraw/zinc/67/53/35/339675335.db2.gz CWYJNVINFWNONA-IAOVAPTHSA-N 0 3 318.417 3.983 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000494974802 339968171 /nfs/dbraw/zinc/96/81/71/339968171.db2.gz CZYXPOGAODKLGQ-VYUIOLGVSA-N 0 3 302.296 3.748 20 5 DHBDHN O=[N+]([O-])c1cccc(F)c1CN[C@@H](Cc1ccccc1)C1CC1 ZINC000495440637 339984695 /nfs/dbraw/zinc/98/46/95/339984695.db2.gz VIMCEQYWUQGJBT-KRWDZBQOSA-N 0 3 314.360 3.845 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503684133 340133450 /nfs/dbraw/zinc/13/34/50/340133450.db2.gz HRMWTSLMHGYEPA-CQSZACIVSA-N 0 3 300.333 3.723 20 5 DHBDHN CC(C)N(CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506787779 340201797 /nfs/dbraw/zinc/20/17/97/340201797.db2.gz BQIMWGGCVDTPIJ-UHFFFAOYSA-N 0 3 320.414 3.526 20 5 DHBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)C ZINC000507156597 340210146 /nfs/dbraw/zinc/21/01/46/340210146.db2.gz UEQJJPDVNFUBEK-UHFFFAOYSA-N 0 3 302.321 3.674 20 5 DHBDHN CC(C)[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507209316 340213556 /nfs/dbraw/zinc/21/35/56/340213556.db2.gz IPSIWIKIRHCHPF-SNVBAGLBSA-N 0 3 302.321 3.673 20 5 DHBDHN CCC[C@H](N[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039097 340319017 /nfs/dbraw/zinc/31/90/17/340319017.db2.gz ZBLVYBJYJSVPAT-AEFFLSMTSA-N 0 3 320.433 3.967 20 5 DHBDHN C[C@H](c1cccc(F)c1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511061761 340319739 /nfs/dbraw/zinc/31/97/39/340319739.db2.gz BGZXRBRKWOPGAF-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN Cc1c(CNC/C=C/c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000511763057 340337591 /nfs/dbraw/zinc/33/75/91/340337591.db2.gz PPIHDQXZDCXINR-ONEGZZNKSA-N 0 3 318.323 3.984 20 5 DHBDHN COc1cc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1[O-] ZINC000512229346 340353172 /nfs/dbraw/zinc/35/31/72/340353172.db2.gz YXWAUMGANICXPH-QWHCGFSZSA-N 0 3 322.405 3.615 20 5 DHBDHN C[C@H]1CSC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868750 340381778 /nfs/dbraw/zinc/38/17/78/340381778.db2.gz HXGOHNIDXPCUNS-FZMZJTMJSA-N 0 3 318.398 3.696 20 5 DHBDHN CO[C@@](C)([C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631720 340425369 /nfs/dbraw/zinc/42/53/69/340425369.db2.gz XLKYPWDIZWMCRI-DCGLDWPTSA-N 0 3 306.406 3.757 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CCCc2c(O)cccc21 ZINC000191661129 340557185 /nfs/dbraw/zinc/55/71/85/340557185.db2.gz ZHEDPFJNMFEJAR-UABRLCRWSA-N 0 3 324.380 3.981 20 5 DHBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000315801808 340676781 /nfs/dbraw/zinc/67/67/81/340676781.db2.gz UBMARVFKXFPKEZ-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN Cc1ccc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000539075862 340870936 /nfs/dbraw/zinc/87/09/36/340870936.db2.gz NHQYYKKJLXUTSO-HNNXBMFYSA-N 0 3 314.385 3.941 20 5 DHBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000540173588 340920549 /nfs/dbraw/zinc/92/05/49/340920549.db2.gz FUQVDGLTPVICHE-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCSC1 ZINC000130547980 341027374 /nfs/dbraw/zinc/02/73/74/341027374.db2.gz SJSVBBJGHYHRHM-LBPRGKRZSA-N 0 3 318.398 3.792 20 5 DHBDHN C[C@H]1CCC[C@@H](CCN2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481232 341046682 /nfs/dbraw/zinc/04/66/82/341046682.db2.gz SHHUHDRNERMLNJ-KBPBESRZSA-N 0 3 303.406 3.564 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131444612 341089098 /nfs/dbraw/zinc/08/90/98/341089098.db2.gz IGIYCVZQKICEEK-KBXCAEBGSA-N 0 3 314.385 3.942 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462795 341090439 /nfs/dbraw/zinc/09/04/39/341090439.db2.gz ZOWCLHXTIXAXCZ-KBXCAEBGSA-N 0 3 314.385 3.942 20 5 DHBDHN CC[C@@H](CC(F)(F)F)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000544939215 341100337 /nfs/dbraw/zinc/10/03/37/341100337.db2.gz AEMOAWNLQHOBNV-PZBABLGHSA-N 0 3 302.296 3.929 20 5 DHBDHN Cc1ccc(F)cc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549170957 341287982 /nfs/dbraw/zinc/28/79/82/341287982.db2.gz GMBACPKCONQGGJ-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN Cc1n[nH]cc1C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000551426628 341341476 /nfs/dbraw/zinc/34/14/76/341341476.db2.gz DDIURCZIMYUOPG-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN C[C@@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000152928625 341512117 /nfs/dbraw/zinc/51/21/17/341512117.db2.gz LWBCDQDFLBSMAW-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN COc1ccc(CNC(C)(C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000567127485 341581691 /nfs/dbraw/zinc/58/16/91/341581691.db2.gz RIMPAMSKOMODEZ-UHFFFAOYSA-N 0 3 314.385 3.937 20 5 DHBDHN Cc1ccnc([C@@H](C)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000567542814 341613839 /nfs/dbraw/zinc/61/38/39/341613839.db2.gz XGVMQCHKPHAEMJ-CYBMUJFWSA-N 0 3 324.384 3.673 20 5 DHBDHN CCOC[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182789432 520116797 /nfs/dbraw/zinc/11/67/97/520116797.db2.gz SHLXBTAPFVQNBG-LSDHHAIUSA-N 0 3 306.406 3.713 20 5 DHBDHN CC1(C)[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCCO[C@H]21 ZINC000266157090 520668355 /nfs/dbraw/zinc/66/83/55/520668355.db2.gz MIWDYIQTKYWOEF-NWANDNLSSA-N 0 3 324.808 3.541 20 5 DHBDHN CC[C@H](C)[C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043729 521937144 /nfs/dbraw/zinc/93/71/44/521937144.db2.gz GFJFGXIJEVAANL-RYUDHWBXSA-N 0 3 303.362 3.774 20 5 DHBDHN CC[C@@H](NCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000156966612 522837020 /nfs/dbraw/zinc/83/70/20/522837020.db2.gz UDDPJTIGOYVIMN-GOSISDBHSA-N 0 3 314.385 3.852 20 5 DHBDHN CC[C@@H](NC[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160054286 522857898 /nfs/dbraw/zinc/85/78/98/522857898.db2.gz QZAXBXUXJBHCJD-HZPDHXFCSA-N 0 3 320.414 3.605 20 5 DHBDHN C[C@H](NC[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748324 525381951 /nfs/dbraw/zinc/38/19/51/525381951.db2.gz BURMJPRUOJQRIL-MEDUHNTESA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1cc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765531 525465249 /nfs/dbraw/zinc/46/52/49/525465249.db2.gz HRXCAJOXGWQECB-BZNIZROVSA-N 0 3 320.414 3.657 20 5 DHBDHN C[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000156014278 525604745 /nfs/dbraw/zinc/60/47/45/525604745.db2.gz XBCZUNMYDBEUMM-JQFCIGGWSA-N 0 3 314.389 3.626 20 5 DHBDHN Cc1nc2c(s1)CCC[C@H]2CNCc1cccc([N+](=O)[O-])c1 ZINC000366396385 527105332 /nfs/dbraw/zinc/10/53/32/527105332.db2.gz CCAJPCWRSXLZHC-ZDUSSCGKSA-N 0 3 317.414 3.569 20 5 DHBDHN COCc1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266211439 1013145055 /nfs/dbraw/zinc/14/50/55/1013145055.db2.gz ONCPCNAQZFAZDM-CYBMUJFWSA-N 0 3 300.358 3.592 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCCCC1 ZINC000083133655 1013322779 /nfs/dbraw/zinc/32/27/79/1013322779.db2.gz SKIWAIDNRBWHOJ-UHFFFAOYSA-N 0 3 303.362 3.748 20 5 DHBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1Br)C1(C)CC1 ZINC000706939397 1014763644 /nfs/dbraw/zinc/76/36/44/1014763644.db2.gz XVOSQQWQDLNTHG-SECBINFHSA-N 0 3 313.195 3.636 20 5 DHBDHN Cc1ccnc([C@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556930 1014995262 /nfs/dbraw/zinc/99/52/62/1014995262.db2.gz VXPUUJRAXBPUJW-HOCLYGCPSA-N 0 3 311.385 3.849 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cccnc1Cl ZINC000090910003 1015300687 /nfs/dbraw/zinc/30/06/87/1015300687.db2.gz NPOFOXAJECBQBS-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN Cc1ccc(-c2csc([C@H]3CCCCN3)n2)cc1[N+](=O)[O-] ZINC000053251666 1015549266 /nfs/dbraw/zinc/54/92/66/1015549266.db2.gz LSGVKTMNTOBKDM-GFCCVEGCSA-N 0 3 303.387 3.841 20 5 DHBDHN CCC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000279733732 1016132005 /nfs/dbraw/zinc/13/20/05/1016132005.db2.gz WIWXFCVBVKTCGQ-ZBFHGGJFSA-N 0 3 320.414 3.648 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCc1ccccc1F ZINC000084439751 1016139067 /nfs/dbraw/zinc/13/90/67/1016139067.db2.gz XFHQXKTXMJQTNB-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN CCOCc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119551917 1016145105 /nfs/dbraw/zinc/14/51/05/1016145105.db2.gz VTWUFBXJYYASRU-CQSZACIVSA-N 0 3 314.385 3.982 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000248695584 1017253302 /nfs/dbraw/zinc/25/33/02/1017253302.db2.gz JOUOSQBQAJLPGC-LIRRHRJNSA-N 0 3 324.380 3.787 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2Cc3ccccc32)c1 ZINC000037565857 1032666872 /nfs/dbraw/zinc/66/68/72/1032666872.db2.gz MXPLTDSPVJXJIT-GFCCVEGCSA-N 0 3 302.761 3.678 20 5 DHBDHN CCC1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444639186 1017613680 /nfs/dbraw/zinc/61/36/80/1017613680.db2.gz LMQUHOQETRMDSI-UHFFFAOYSA-N 0 3 316.405 3.872 20 5 DHBDHN COCc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000268782015 1017737016 /nfs/dbraw/zinc/73/70/16/1017737016.db2.gz QANQLSKEOLKRSX-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN COCc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122064503 1018069609 /nfs/dbraw/zinc/06/96/09/1018069609.db2.gz VNJRMSSBSAWEAB-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN CC1CCC(O)(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000441272339 1018396693 /nfs/dbraw/zinc/39/66/93/1018396693.db2.gz YSOVAHQKHBGXJC-UHFFFAOYSA-N 0 3 318.417 3.500 20 5 DHBDHN CC[C@H](C)CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171950334 1018854829 /nfs/dbraw/zinc/85/48/29/1018854829.db2.gz XCSHBYUYNSVHJO-RYUDHWBXSA-N 0 3 318.377 3.684 20 5 DHBDHN Cc1c(CN[C@@H]2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000318186171 1019085803 /nfs/dbraw/zinc/08/58/03/1019085803.db2.gz PXYUYGBIUPVRCT-MRXNPFEDSA-N 0 3 300.333 3.819 20 5 DHBDHN Cc1nc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000611337336 1019448849 /nfs/dbraw/zinc/44/88/49/1019448849.db2.gz USIXRDCSRVFKHL-JTQLQIEISA-N 0 3 305.403 3.561 20 5 DHBDHN COc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000609440744 1019892867 /nfs/dbraw/zinc/89/28/67/1019892867.db2.gz LMUDNKRLVRILEN-MRXNPFEDSA-N 0 3 312.369 3.689 20 5 DHBDHN CCC(CC)(CO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302084928 1020413749 /nfs/dbraw/zinc/41/37/49/1020413749.db2.gz MYBOAXJUIUUFTI-UHFFFAOYSA-N 0 3 317.389 3.662 20 5 DHBDHN C[C@@H]1C[C@@H]1c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740460 1020854263 /nfs/dbraw/zinc/85/42/63/1020854263.db2.gz PJKPUUWVJXUHDI-CJNGLKHVSA-N 0 3 314.385 3.986 20 5 DHBDHN CCc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000581201900 1020877659 /nfs/dbraw/zinc/87/76/59/1020877659.db2.gz YVVGICBWVVGSRM-OAHLLOKOSA-N 0 3 302.399 3.996 20 5 DHBDHN CCC[C@@H]1[C@@H](C)CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380245 1021287610 /nfs/dbraw/zinc/28/76/10/1021287610.db2.gz XLGOCNYUECXYQB-XJKSGUPXSA-N 0 3 316.405 3.803 20 5 DHBDHN CCO[C@H]1C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198582 1021324944 /nfs/dbraw/zinc/32/49/44/1021324944.db2.gz FHKZQCQKJVJUIC-GJZGRUSLSA-N 0 3 318.398 3.590 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccccc1F ZINC000743848745 1021377085 /nfs/dbraw/zinc/37/70/85/1021377085.db2.gz CIUCYYUPJOJGJB-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CC(c4ccccc4)C3)nc2c1 ZINC000278808297 1021468679 /nfs/dbraw/zinc/46/86/79/1021468679.db2.gz YGGDDOUXBGGUAS-UHFFFAOYSA-N 0 3 322.368 3.507 20 5 DHBDHN CC1(C)[C@H](CNCc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000850393431 1021506262 /nfs/dbraw/zinc/50/62/62/1021506262.db2.gz CKSAYKOCBNXRSS-NSHDSACASA-N 0 3 304.724 3.629 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCCC(F)(F)C1 ZINC000695083828 1021508077 /nfs/dbraw/zinc/50/80/77/1021508077.db2.gz YFKADBVYNPGZNE-LLVKDONJSA-N 0 3 304.724 3.916 20 5 DHBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000850430751 1021527878 /nfs/dbraw/zinc/52/78/78/1021527878.db2.gz PLGRIEWUAJNZPZ-CYBMUJFWSA-N 0 3 312.369 3.771 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCC[C@H]2[C@H]2CCCOC2)ccc1Cl ZINC000828906556 1021934042 /nfs/dbraw/zinc/93/40/42/1021934042.db2.gz XOVGBPKMEWWVRO-ZFWWWQNUSA-N 0 3 324.808 3.639 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC34CCCCC4)nc2c1 ZINC000517671659 1022328555 /nfs/dbraw/zinc/32/85/55/1022328555.db2.gz JMOLSBGQSSRUOK-UHFFFAOYSA-N 0 3 314.389 3.770 20 5 DHBDHN CN(CC(N)=O)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000768245337 1022938769 /nfs/dbraw/zinc/93/87/69/1022938769.db2.gz PHODXTBWZBQILA-UHFFFAOYSA-N 0 3 312.800 3.564 20 5 DHBDHN CN(CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788477239 1023891881 /nfs/dbraw/zinc/89/18/81/1023891881.db2.gz BTSIMICVLGTNEM-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN CSc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788759505 1023929955 /nfs/dbraw/zinc/92/99/55/1023929955.db2.gz ULCZLXOJOMZKGM-NSHDSACASA-N 0 3 317.414 3.750 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCCC2(CCOCC2)C1 ZINC000271202107 1024470606 /nfs/dbraw/zinc/47/06/06/1024470606.db2.gz UVMGFBMAHYHZIF-ZZXKWVIFSA-N 0 3 316.401 3.501 20 5 DHBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccoc1 ZINC000349250023 1024691318 /nfs/dbraw/zinc/69/13/18/1024691318.db2.gz XQCZOHRZLYZVMV-ZDUSSCGKSA-N 0 3 306.387 3.848 20 5 DHBDHN CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000169043087 1024803395 /nfs/dbraw/zinc/80/33/95/1024803395.db2.gz QBKOQDBVFWRLIO-UHFFFAOYSA-N 0 3 303.387 3.751 20 5 DHBDHN C[C@H]1CCCC[C@H]1N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879192 1024819733 /nfs/dbraw/zinc/81/97/33/1024819733.db2.gz FRBFCSVDLXBYHH-SMDDNHRTSA-N 0 3 307.350 3.514 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000792875140 1024821259 /nfs/dbraw/zinc/82/12/59/1024821259.db2.gz ZLOCYUDLSBZVLM-UHFFFAOYSA-N 0 3 307.350 3.656 20 5 DHBDHN COc1cc(CN2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000353449758 1025075900 /nfs/dbraw/zinc/07/59/00/1025075900.db2.gz SIYYQVJYHOTUQF-MRXNPFEDSA-N 0 3 322.405 3.623 20 5 DHBDHN CCSCC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000135295571 1025209106 /nfs/dbraw/zinc/20/91/06/1025209106.db2.gz UVDSUEIDRQBPNP-SNVBAGLBSA-N 0 3 302.827 3.870 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2ccccc2)CC1 ZINC000885983904 1025426048 /nfs/dbraw/zinc/42/60/48/1025426048.db2.gz STQDCJDQSPNIRZ-INIZCTEOSA-N 0 3 311.385 3.760 20 5 DHBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014094 1025439094 /nfs/dbraw/zinc/43/90/94/1025439094.db2.gz BWHGTUSGCIDNSU-ZBFHGGJFSA-N 0 3 311.385 3.676 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](N2CCCC2)C[C@H]1C ZINC000804812680 1025486183 /nfs/dbraw/zinc/48/61/83/1025486183.db2.gz KQHXSIIHWGOHMQ-TZMCWYRMSA-N 0 3 323.824 3.620 20 5 DHBDHN CC(C)CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000073181792 1025772518 /nfs/dbraw/zinc/77/25/18/1025772518.db2.gz GTEGMWBGWIHQQI-UHFFFAOYSA-N 0 3 318.377 3.511 20 5 DHBDHN CO[C@@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000076347834 1025864815 /nfs/dbraw/zinc/86/48/15/1025864815.db2.gz KRUDQKLCGHVLPN-MRXNPFEDSA-N 0 3 323.392 3.557 20 5 DHBDHN COCC(C)(C)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000808428759 1026299199 /nfs/dbraw/zinc/29/91/99/1026299199.db2.gz OEHPFGUPSCMKNE-UHFFFAOYSA-N 0 3 314.813 3.791 20 5 DHBDHN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cnc1Cl ZINC000809688715 1026594835 /nfs/dbraw/zinc/59/48/35/1026594835.db2.gz OFRTWMWNBAEBCF-UHFFFAOYSA-N 0 3 319.792 3.626 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000072599968 1026781416 /nfs/dbraw/zinc/78/14/16/1026781416.db2.gz GNEIPZHGBJTYTN-ZBFHGGJFSA-N 0 3 311.385 3.842 20 5 DHBDHN CO[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976627 1027509374 /nfs/dbraw/zinc/50/93/74/1027509374.db2.gz KTZUACCISLNTRM-CZUORRHYSA-N 0 3 306.406 3.711 20 5 DHBDHN Cc1cccc(Oc2ccccc2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102788 1027520721 /nfs/dbraw/zinc/52/07/21/1027520721.db2.gz VOJXDFGUGKOHNY-CYBMUJFWSA-N 0 3 315.325 3.609 20 5 DHBDHN CC(COC(=O)CC1CCC(c2ccccc2)CC1)[N+](=O)[O-] ZINC000813104257 1027522307 /nfs/dbraw/zinc/52/23/07/1027522307.db2.gz KYJXKBABUDEYCJ-HLIUYOAVSA-N 0 3 305.374 3.559 20 5 DHBDHN C[C@H]1C[C@H]1c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000575929988 1027530039 /nfs/dbraw/zinc/53/00/39/1027530039.db2.gz YMEFHKYIYGIGSG-SUMWQHHRSA-N 0 3 314.385 3.986 20 5 DHBDHN C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107410 1027536056 /nfs/dbraw/zinc/53/60/56/1027536056.db2.gz QIAGGVGXHBDQCC-XZLDQRQTSA-N 0 3 318.156 3.605 20 5 DHBDHN C/C(=C\c1c(Cl)cccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107409 1027536159 /nfs/dbraw/zinc/53/61/59/1027536159.db2.gz QIAGGVGXHBDQCC-ORZBULNSSA-N 0 3 318.156 3.605 20 5 DHBDHN Cc1cc([C@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000364017067 1027795926 /nfs/dbraw/zinc/79/59/26/1027795926.db2.gz ZFTSMRXURVFKBI-ZFWWWQNUSA-N 0 3 314.389 3.567 20 5 DHBDHN CC(C)c1csc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449193730 1028433399 /nfs/dbraw/zinc/43/33/99/1028433399.db2.gz NTCOUJCEUDGDPD-LBPRGKRZSA-N 0 3 319.430 3.896 20 5 DHBDHN C[C@@H](NCc1coc2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593587 1028561441 /nfs/dbraw/zinc/56/14/41/1028561441.db2.gz QZYKZHLRNNJVBU-LLVKDONJSA-N 0 3 311.341 3.774 20 5 DHBDHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571296 1028564867 /nfs/dbraw/zinc/56/48/67/1028564867.db2.gz ZXGGBQZIGFIYQQ-SJCJKPOMSA-N 0 3 311.385 3.824 20 5 DHBDHN CCO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492140 1028687483 /nfs/dbraw/zinc/68/74/83/1028687483.db2.gz IOFVRKLUMTYNRU-RDTXWAMCSA-N 0 3 320.433 3.965 20 5 DHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C/C=C/c3ccncc3)C2)cc1 ZINC000449496270 1028709893 /nfs/dbraw/zinc/70/98/93/1028709893.db2.gz GLONTQKYXYMCKX-ZDBPOJEVSA-N 0 3 323.396 3.883 20 5 DHBDHN CC(C)N(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000077323259 1028825119 /nfs/dbraw/zinc/82/51/19/1028825119.db2.gz RSIMDXVXYKROFR-UHFFFAOYSA-N 0 3 312.797 3.638 20 5 DHBDHN CSc1cc(CNC/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000357368385 1030019119 /nfs/dbraw/zinc/01/91/19/1030019119.db2.gz OBQVPNGHAMRXCN-GQCTYLIASA-N 0 3 315.398 3.515 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865832004 1030047233 /nfs/dbraw/zinc/04/72/33/1030047233.db2.gz GJAAWFUZGLRNMJ-CHWSQXEVSA-N 0 3 300.280 3.582 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNCCc1cccc(Cl)c1 ZINC000557192561 1030047502 /nfs/dbraw/zinc/04/75/02/1030047502.db2.gz DZIAGOHMVSAPHP-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN Cc1noc(C)c1[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267033 1030191185 /nfs/dbraw/zinc/19/11/85/1030191185.db2.gz YPSIRSXLIMMHRL-UWVGGRQHSA-N 0 3 321.352 3.621 20 5 DHBDHN CCO[C@H]1C[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793198 1030193706 /nfs/dbraw/zinc/19/37/06/1030193706.db2.gz GRJAFCZXXGBMFT-IRXDYDNUSA-N 0 3 318.417 3.683 20 5 DHBDHN CCO[C@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793202 1030193738 /nfs/dbraw/zinc/19/37/38/1030193738.db2.gz GRJAFCZXXGBMFT-SJORKVTESA-N 0 3 318.417 3.683 20 5 DHBDHN C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900350 1030243505 /nfs/dbraw/zinc/24/35/05/1030243505.db2.gz NXEIUFRLNNCLTF-LDYMZIIASA-N 0 3 319.188 3.559 20 5 DHBDHN CC[C@@H](C)N[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690766 1030251737 /nfs/dbraw/zinc/25/17/37/1030251737.db2.gz ASSJAXQEYXSSFC-IAQYHMDHSA-N 0 3 321.352 3.868 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2ccccc2)c1 ZINC000237821023 1030572089 /nfs/dbraw/zinc/57/20/89/1030572089.db2.gz LTVLBYYBCJESRD-UHFFFAOYSA-N 0 3 322.311 3.529 20 5 DHBDHN Cc1c([C@H](C)N[C@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066087 1031063414 /nfs/dbraw/zinc/06/34/14/1031063414.db2.gz KRWVNEDXBQQPOE-GUYCJALGSA-N 0 3 316.405 3.685 20 5 DHBDHN C[C@@H](NCC1(CCO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043303 1031427852 /nfs/dbraw/zinc/42/78/52/1031427852.db2.gz WQEAWXDHJJGYNL-CYBMUJFWSA-N 0 3 324.396 3.717 20 5 DHBDHN C[C@H](N[C@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047993 1031436643 /nfs/dbraw/zinc/43/66/43/1031436643.db2.gz FVKLPIZELAIZOQ-STQMWFEESA-N 0 3 322.380 3.876 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOC1CCC1 ZINC000872055231 1031445521 /nfs/dbraw/zinc/44/55/21/1031445521.db2.gz GOKMQJCGABFTLX-NSHDSACASA-N 0 3 310.419 3.536 20 5 DHBDHN COC1(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCC1 ZINC000872059485 1031452419 /nfs/dbraw/zinc/45/24/19/1031452419.db2.gz GACCGBCRAWNGCS-NSHDSACASA-N 0 3 310.419 3.536 20 5 DHBDHN C[C@H](NCCOc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000536830050 1031457288 /nfs/dbraw/zinc/45/72/88/1031457288.db2.gz BHFXNPLNNLXMSQ-LBPRGKRZSA-N 0 3 320.776 3.978 20 5 DHBDHN CSCCCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062288 1031457220 /nfs/dbraw/zinc/45/72/20/1031457220.db2.gz FVLOTGUAOQWDQW-LLVKDONJSA-N 0 3 300.399 3.918 20 5 DHBDHN C[C@H](NC[C@]1(C)CCO[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063703 1031458972 /nfs/dbraw/zinc/45/89/72/1031458972.db2.gz SENPGLLNJMRRHC-JECHBYEQSA-N 0 3 322.380 3.590 20 5 DHBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])oc1C ZINC000845874701 1031747839 /nfs/dbraw/zinc/74/78/39/1031747839.db2.gz IJAJMHLGZAFIFU-MEBBXXQBSA-N 0 3 321.304 3.599 20 5 DHBDHN Cc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872832 1031748148 /nfs/dbraw/zinc/74/81/48/1031748148.db2.gz PMCIPZCJYMDJQP-IINYFYTJSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@@H](OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccccc1F)[N+](=O)[O-] ZINC000845880683 1031750700 /nfs/dbraw/zinc/75/07/00/1031750700.db2.gz XUOFDVASTRUMLB-APLKWVCFSA-N 0 3 321.348 3.511 20 5 DHBDHN CC([C@@H](OC(=O)CCCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877624 1031751986 /nfs/dbraw/zinc/75/19/86/1031751986.db2.gz FTMDVXVIZNGKIS-BDJLRTHQSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@@H](OC(=O)C1CC(C)(C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883038 1031753834 /nfs/dbraw/zinc/75/38/34/1031753834.db2.gz RARZMKXQDRXRHN-IINYFYTJSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1sccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845882688 1031754117 /nfs/dbraw/zinc/75/41/17/1031754117.db2.gz PTFJQNQFGSYBIR-YMTOWFKASA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)C1CC2(CCC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845882995 1031755456 /nfs/dbraw/zinc/75/54/56/1031755456.db2.gz XKGSGPPISHHOPU-ABAIWWIYSA-N 0 3 321.348 3.656 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCCC4(CC4)C3)nc2c1 ZINC000897772053 1031823922 /nfs/dbraw/zinc/82/39/22/1031823922.db2.gz LCJBLYSRONUHSZ-LLVKDONJSA-N 0 3 301.346 3.548 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCC[C@@H]2CC2(Cl)Cl)cs1 ZINC000846101438 1031872169 /nfs/dbraw/zinc/87/21/69/1031872169.db2.gz CUPTZKWJTVHAHM-SECBINFHSA-N 0 3 309.218 3.720 20 5 DHBDHN CC[C@@H](C[C@@H](C)O)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779141 1033445890 /nfs/dbraw/zinc/44/58/90/1033445890.db2.gz ZKOONCWRTISTJK-KCJUWKMLSA-N 0 3 321.204 3.541 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@H](C)CC23CC3)c1F ZINC001173191696 1033583454 /nfs/dbraw/zinc/58/34/54/1033583454.db2.gz GKMQIBXHCYOWRE-NEPJUHHUSA-N 0 3 322.380 3.548 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)ccc2C1 ZINC001173232636 1033608496 /nfs/dbraw/zinc/60/84/96/1033608496.db2.gz SBBKIPKWXXADAJ-ZDUSSCGKSA-N 0 3 314.360 3.723 20 5 DHBDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439027 1033708726 /nfs/dbraw/zinc/70/87/26/1033708726.db2.gz PSAOZHYWAUWUGK-KSSFIOAISA-N 0 3 314.385 3.759 20 5 DHBDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439040 1033709168 /nfs/dbraw/zinc/70/91/68/1033709168.db2.gz PSAOZHYWAUWUGK-KDOFPFPSSA-N 0 3 314.385 3.759 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CCCCO2)CC1 ZINC000880456766 1034334694 /nfs/dbraw/zinc/33/46/94/1034334694.db2.gz VEFLHXSQHZKSTC-OAHLLOKOSA-N 0 3 318.417 3.999 20 5 DHBDHN CC(C)(C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000483240989 1035243928 /nfs/dbraw/zinc/24/39/28/1035243928.db2.gz VEOMAXCWZVRABO-GFCCVEGCSA-N 0 3 317.389 3.994 20 5 DHBDHN CC(C)[C@@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535560996 1035687967 /nfs/dbraw/zinc/68/79/67/1035687967.db2.gz XDQVQLDQKGKLBN-INIZCTEOSA-N 0 3 315.373 3.870 20 5 DHBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCCc2ccccc2CC1 ZINC001194400956 1035920157 /nfs/dbraw/zinc/92/01/57/1035920157.db2.gz NVOLPLWVQVKRNH-UHFFFAOYSA-N 0 3 314.360 3.725 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1C1CCOCC1 ZINC000494819096 1036048204 /nfs/dbraw/zinc/04/82/04/1036048204.db2.gz AEBVQPZYTGZZNS-HNNXBMFYSA-N 0 3 324.808 3.639 20 5 DHBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000540434283 1036071504 /nfs/dbraw/zinc/07/15/04/1036071504.db2.gz IKMXMBNUDJUTGV-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000152936092 1036117664 /nfs/dbraw/zinc/11/76/64/1036117664.db2.gz MOHUERKCJAGWAW-INIZCTEOSA-N 0 3 304.390 3.518 20 5 DHBDHN CC(C)c1ccc(CN2CCC(CCCO)CC2)cc1[N+](=O)[O-] ZINC000541246436 1036276078 /nfs/dbraw/zinc/27/60/78/1036276078.db2.gz GGZCHNWIJWLIDT-UHFFFAOYSA-N 0 3 320.433 3.703 20 5 DHBDHN CC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001195623191 1036291881 /nfs/dbraw/zinc/29/18/81/1036291881.db2.gz UUMIMLFLOQRUIR-QGZVFWFLSA-N 0 3 318.348 3.854 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840154 1036564054 /nfs/dbraw/zinc/56/40/54/1036564054.db2.gz BJUGWUNYNDEEJI-UONOGXRCSA-N 0 3 314.385 3.807 20 5 DHBDHN C/C=C\C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606746 1036570844 /nfs/dbraw/zinc/57/08/44/1036570844.db2.gz WOEHUBWSFRODOM-NQHOJNORSA-N 0 3 304.390 3.782 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000443774515 1036580629 /nfs/dbraw/zinc/58/06/29/1036580629.db2.gz AHNMELZSDZIONO-CPUCHLNUSA-N 0 3 320.433 3.700 20 5 DHBDHN COc1ccc(CN[C@@H]2C[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902789 1036646429 /nfs/dbraw/zinc/64/64/29/1036646429.db2.gz VYYACGRXGPELGD-BLLLJJGKSA-N 0 3 312.369 3.942 20 5 DHBDHN CCC(CC)CN(CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488509805 1037052519 /nfs/dbraw/zinc/05/25/19/1037052519.db2.gz BBOQXYORJAELMI-CYBMUJFWSA-N 0 3 321.421 3.680 20 5 DHBDHN C[C@H](Cc1cccc(O)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000776174665 1037678663 /nfs/dbraw/zinc/67/86/63/1037678663.db2.gz RMLNYVCZKSQFRZ-LLVKDONJSA-N 0 3 320.776 3.675 20 5 DHBDHN COC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000775321349 1038222511 /nfs/dbraw/zinc/22/25/11/1038222511.db2.gz TWJDTJXPRMADGK-UHFFFAOYSA-N 0 3 312.797 3.687 20 5 DHBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000055899638 1038280773 /nfs/dbraw/zinc/28/07/73/1038280773.db2.gz QVQCJAAHPAKILZ-UHFFFAOYSA-N 0 3 306.387 3.557 20 5 DHBDHN CCOc1cc(CN2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000588977872 1038414457 /nfs/dbraw/zinc/41/44/57/1038414457.db2.gz BKKNMMPKGNHAAP-OAHLLOKOSA-N 0 3 304.390 3.616 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000590601796 1038675275 /nfs/dbraw/zinc/67/52/75/1038675275.db2.gz QMHUTOLJWFFCFN-LSDHHAIUSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1ccc(C(C)(C)CNCc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000598990853 1038968841 /nfs/dbraw/zinc/96/88/41/1038968841.db2.gz JFOLGKIMFTZFCP-UHFFFAOYSA-N 0 3 317.364 3.505 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC2CC3(CCC3)C2)c1 ZINC000593687574 1039064093 /nfs/dbraw/zinc/06/40/93/1039064093.db2.gz ISSVGPRKHQIWGB-UHFFFAOYSA-N 0 3 312.316 3.619 20 5 DHBDHN CC(C)=CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130326 1039124116 /nfs/dbraw/zinc/12/41/16/1039124116.db2.gz BWXWVTNLBSGGJV-QAQDUYKDSA-N 0 3 318.417 3.667 20 5 DHBDHN Cc1cccc(OCCN(C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603842066 1039177651 /nfs/dbraw/zinc/17/76/51/1039177651.db2.gz DVUIPTZMDAZGBE-UHFFFAOYSA-N 0 3 314.385 3.722 20 5 DHBDHN CS[C@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143976 1039722211 /nfs/dbraw/zinc/72/22/11/1039722211.db2.gz CXRCDNRNXTYDKA-PWSUYJOCSA-N 0 3 300.811 3.622 20 5 DHBDHN COCc1csc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594941333 1039956315 /nfs/dbraw/zinc/95/63/15/1039956315.db2.gz SEOFJZLJHROQKF-GFCCVEGCSA-N 0 3 320.414 3.962 20 5 DHBDHN CC[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594041522 1040010889 /nfs/dbraw/zinc/01/08/89/1040010889.db2.gz DYQZKULXDAXBBR-ZFWWWQNUSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCCS1 ZINC000595032582 1040038758 /nfs/dbraw/zinc/03/87/58/1040038758.db2.gz NLYHTVKKTNTOOM-DGCLKSJQSA-N 0 3 310.419 3.540 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000595034025 1040041279 /nfs/dbraw/zinc/04/12/79/1040041279.db2.gz ORKTWIGTNOKCSR-ABAIWWIYSA-N 0 3 322.405 3.600 20 5 DHBDHN Cc1noc(CN2C[C@H](c3ccccc3C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323574 1040108235 /nfs/dbraw/zinc/10/82/35/1040108235.db2.gz ZKJKAIRKRVOLBB-TZMCWYRMSA-N 0 3 315.373 3.578 20 5 DHBDHN Cc1noc(CN2CC[C@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558960 1040173992 /nfs/dbraw/zinc/17/39/92/1040173992.db2.gz RMDKHNONOLJFMC-QWHCGFSZSA-N 0 3 307.394 3.539 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000595784474 1040252647 /nfs/dbraw/zinc/25/26/47/1040252647.db2.gz ABQGKRVGNJACAH-RDTXWAMCSA-N 0 3 318.417 3.937 20 5 DHBDHN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccc3)CC2)s1 ZINC000064029089 1040642649 /nfs/dbraw/zinc/64/26/49/1040642649.db2.gz KRKUTHUIDCFYKT-UHFFFAOYSA-N 0 3 317.414 3.733 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000064114357 1040669648 /nfs/dbraw/zinc/66/96/48/1040669648.db2.gz ZGCXBAZDYDZABH-HNNXBMFYSA-N 0 3 321.352 3.822 20 5 DHBDHN O=[N+]([O-])c1sc(CN[C@@H]2CC=CCC2)cc1Br ZINC000602551993 1041094066 /nfs/dbraw/zinc/09/40/66/1041094066.db2.gz MFAPBGBZTYVORL-MRVPVSSYSA-N 0 3 317.208 3.617 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(C(F)F)CC1 ZINC000602643551 1041130126 /nfs/dbraw/zinc/13/01/26/1041130126.db2.gz NKWINPWDCQNWJT-UHFFFAOYSA-N 0 3 324.249 3.749 20 5 DHBDHN C[C@]1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000602711944 1041172932 /nfs/dbraw/zinc/17/29/32/1041172932.db2.gz SZIIUXQJPKVCQK-LLVKDONJSA-N 0 3 324.249 3.749 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728484 185311648 /nfs/dbraw/zinc/31/16/48/185311648.db2.gz URXHDTAWWGVTFF-WDEREUQCSA-N 0 3 303.362 3.654 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](OCC(C)C)C1 ZINC000182845588 335003922 /nfs/dbraw/zinc/00/39/22/335003922.db2.gz VVNHUCHFPWARAM-HOCLYGCPSA-N 0 3 306.406 3.711 20 5 DHBDHN Cc1cc(C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000272954725 130077823 /nfs/dbraw/zinc/07/78/23/130077823.db2.gz MXEALHPOWAOGCV-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cc(C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000272954725 130077825 /nfs/dbraw/zinc/07/78/25/130077825.db2.gz MXEALHPOWAOGCV-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122144435 132162066 /nfs/dbraw/zinc/16/20/66/132162066.db2.gz SEBZTRNQMQZBMB-DOMZBBRYSA-N 0 3 319.430 3.610 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCCSC3)o2)cc1 ZINC000557833957 331820003 /nfs/dbraw/zinc/82/00/03/331820003.db2.gz WHONVRDJVVWJRU-CYBMUJFWSA-N 0 3 318.398 3.840 20 5 DHBDHN C[C@@H](CCc1ccco1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963713 332331440 /nfs/dbraw/zinc/33/14/40/332331440.db2.gz HUIIXFKFMLOSCH-NSHDSACASA-N 0 3 308.765 3.952 20 5 DHBDHN CC(C)(C)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000170811507 332637287 /nfs/dbraw/zinc/63/72/87/332637287.db2.gz QKFPKYDPSQCYSG-UHFFFAOYSA-N 0 3 319.430 3.681 20 5 DHBDHN C[C@@H](NCCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180941093 333028887 /nfs/dbraw/zinc/02/88/87/333028887.db2.gz LHKVUCAIZBDKNT-CQSZACIVSA-N 0 3 300.358 3.715 20 5 DHBDHN CCC[C@H](N[C@@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327767 333267585 /nfs/dbraw/zinc/26/75/85/333267585.db2.gz CQTATNDIIIUTJT-AFAVFJNCSA-N 0 3 306.406 3.839 20 5 DHBDHN CCCOc1ccc(CNCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000188793810 333361997 /nfs/dbraw/zinc/36/19/97/333361997.db2.gz LLJHSBYQFNGSIM-UHFFFAOYSA-N 0 3 314.385 3.982 20 5 DHBDHN CC[C@H](CC(F)(F)F)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419810 333603192 /nfs/dbraw/zinc/60/31/92/333603192.db2.gz ZIECWGFHGNGDBG-BXKDBHETSA-N 0 3 302.296 3.903 20 5 DHBDHN CO[C@@](C)([C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969821 333717303 /nfs/dbraw/zinc/71/73/03/333717303.db2.gz MFNKIVJVDZLOIJ-BMIGLBTASA-N 0 3 312.797 3.541 20 5 DHBDHN O=[N+]([O-])c1ccc(CCNCc2cc3cc(F)ccc3o2)cc1 ZINC000344215612 335225875 /nfs/dbraw/zinc/22/58/75/335225875.db2.gz PSSPAGMEUDTANJ-UHFFFAOYSA-N 0 3 314.316 3.812 20 5 DHBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccccc2c1 ZINC000352570191 336225097 /nfs/dbraw/zinc/22/50/97/336225097.db2.gz DHHXBKXBARBLCU-UHFFFAOYSA-N 0 3 321.380 3.818 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)N(C)C ZINC000301442546 336307079 /nfs/dbraw/zinc/30/70/79/336307079.db2.gz NRYJXOWEQXCPFN-AWEZNQCLSA-N 0 3 305.403 3.680 20 5 DHBDHN CN1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000302797411 336369496 /nfs/dbraw/zinc/36/94/96/336369496.db2.gz ANMPALCOCWECLY-HOTGVXAUSA-N 0 3 315.348 3.591 20 5 DHBDHN CC[C@H](N[C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966405 336379897 /nfs/dbraw/zinc/37/98/97/336379897.db2.gz KNQZSFBQTLPTKM-LSDHHAIUSA-N 0 3 306.406 3.982 20 5 DHBDHN CC[C@@H](NCC(CC)(CC)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000354985934 336490268 /nfs/dbraw/zinc/49/02/68/336490268.db2.gz VDQJBUHANVIAPX-OAHLLOKOSA-N 0 3 322.405 3.615 20 5 DHBDHN CC(C)(C)CC[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359035570 336654607 /nfs/dbraw/zinc/65/46/07/336654607.db2.gz LQVMVJXLIVZXKY-YOEHRIQHSA-N 0 3 320.433 3.749 20 5 DHBDHN Cc1cccnc1C1(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368262934 336841376 /nfs/dbraw/zinc/84/13/76/336841376.db2.gz OBZXOVHSJVHPMU-CQSZACIVSA-N 0 3 311.385 3.681 20 5 DHBDHN CO[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000378630665 337077113 /nfs/dbraw/zinc/07/71/13/337077113.db2.gz GJHYTOFVJOOWIC-OAHLLOKOSA-N 0 3 306.406 3.719 20 5 DHBDHN CC(C)(NCCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429237608 337137318 /nfs/dbraw/zinc/13/73/18/337137318.db2.gz PDNIATRIPFBYMS-UHFFFAOYSA-N 0 3 302.349 3.801 20 5 DHBDHN COC1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000181078214 337179782 /nfs/dbraw/zinc/17/97/82/337179782.db2.gz JWQVACGBHZYUDC-UHFFFAOYSA-N 0 3 316.357 3.514 20 5 DHBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000183817741 337194812 /nfs/dbraw/zinc/19/48/12/337194812.db2.gz HPETYKFEYGWBOZ-CFVMTHIKSA-N 0 3 324.808 3.541 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000583003682 337227712 /nfs/dbraw/zinc/22/77/12/337227712.db2.gz XBSDKHPOTGPZHR-AWEZNQCLSA-N 0 3 318.417 3.794 20 5 DHBDHN Cc1c(CN[C@@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602397 337249665 /nfs/dbraw/zinc/24/96/65/337249665.db2.gz XDBXXHGKPMTHLL-BBRMVZONSA-N 0 3 312.369 3.558 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186432212 337256030 /nfs/dbraw/zinc/25/60/30/337256030.db2.gz ICYRHZYMNXKEEZ-IBGZPJMESA-N 0 3 324.380 3.535 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421829376 337647265 /nfs/dbraw/zinc/64/72/65/337647265.db2.gz HRKAGCCWEGBNMY-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(N(C)C)c1 ZINC000119879081 337867348 /nfs/dbraw/zinc/86/73/48/337867348.db2.gz DYKNAKRPSSPIJL-CQSZACIVSA-N 0 3 313.401 3.820 20 5 DHBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000431685680 338136304 /nfs/dbraw/zinc/13/63/04/338136304.db2.gz MGQIAWHLKOMLMW-GDBMZVCRSA-N 0 3 318.398 3.524 20 5 DHBDHN C[C@@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046844 338178277 /nfs/dbraw/zinc/17/82/77/338178277.db2.gz QPHPXSHNTALTBI-ZYHUDNBSSA-N 0 3 314.332 3.817 20 5 DHBDHN CC(C)(C)C[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298404 338190076 /nfs/dbraw/zinc/19/00/76/338190076.db2.gz OOQKXUVVWMICHO-BLLLJJGKSA-N 0 3 320.433 3.704 20 5 DHBDHN CC[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000433304638 338190738 /nfs/dbraw/zinc/19/07/38/338190738.db2.gz NYFJCVLNZGNCNU-ULQDDVLXSA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435752450 338247996 /nfs/dbraw/zinc/24/79/96/338247996.db2.gz YBVREOVKBZNJLS-SAZUREKKSA-N 0 3 318.323 3.909 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c(F)c1 ZINC000435783381 338248924 /nfs/dbraw/zinc/24/89/24/338248924.db2.gz VBTBEZKWHNHXRY-JOCQHMNTSA-N 0 3 318.323 3.909 20 5 DHBDHN Cc1ccc2c(CCNCc3ccccc3[N+](=O)[O-])cn(C)c2c1 ZINC000436422468 338272209 /nfs/dbraw/zinc/27/22/09/338272209.db2.gz ZWVOVYLQKFRMFF-UHFFFAOYSA-N 0 3 323.396 3.727 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CC(F)(F)F)C(C)C ZINC000438484193 338345714 /nfs/dbraw/zinc/34/57/14/338345714.db2.gz HMAWXJGDZOIGEZ-CYBMUJFWSA-N 0 3 304.312 3.970 20 5 DHBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000439127825 338361839 /nfs/dbraw/zinc/36/18/39/338361839.db2.gz LFZZKPRNANRYLU-SJKOYZFVSA-N 0 3 317.364 3.837 20 5 DHBDHN COc1ccc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000194415981 338526304 /nfs/dbraw/zinc/52/63/04/338526304.db2.gz IRSMXTLUSBVCDB-LBPRGKRZSA-N 0 3 318.348 3.636 20 5 DHBDHN CCOc1ccc([C@H](C)NCCOC(C)(C)CC)cc1[N+](=O)[O-] ZINC000453405633 338839249 /nfs/dbraw/zinc/83/92/49/338839249.db2.gz JPDAHKHDFTZOAS-ZDUSSCGKSA-N 0 3 324.421 3.849 20 5 DHBDHN COc1cc(CN[C@H](C)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000453596787 338849879 /nfs/dbraw/zinc/84/98/79/338849879.db2.gz HAHHGDJUMCVWCF-LLVKDONJSA-N 0 3 310.394 3.526 20 5 DHBDHN C[C@H]1CCCC[C@@]1(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637456 338851699 /nfs/dbraw/zinc/85/16/99/338851699.db2.gz UXILCOAIBIVYLN-YVEFUNNKSA-N 0 3 320.389 3.520 20 5 DHBDHN Cc1cc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000195269288 338888507 /nfs/dbraw/zinc/88/85/07/338888507.db2.gz YKKALYBAEKORFJ-LBPRGKRZSA-N 0 3 304.346 3.534 20 5 DHBDHN C[C@@H](CCCc1cccnc1)NCc1csc([N+](=O)[O-])c1 ZINC000459644406 339039999 /nfs/dbraw/zinc/03/99/99/339039999.db2.gz PEUDDQPOAZTZFI-LBPRGKRZSA-N 0 3 305.403 3.552 20 5 DHBDHN CCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)OC ZINC000462828277 339092643 /nfs/dbraw/zinc/09/26/43/339092643.db2.gz VVHYIFJMHWTQJW-ZDUSSCGKSA-N 0 3 318.373 3.712 20 5 DHBDHN CCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)OC ZINC000462830061 339093035 /nfs/dbraw/zinc/09/30/35/339093035.db2.gz SRHWANWPCDYYKK-CYBMUJFWSA-N 0 3 318.373 3.712 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(CCCC2CCOCC2)C2CC2)cc1 ZINC000463290169 339113630 /nfs/dbraw/zinc/11/36/30/339113630.db2.gz JQWMCERFBBGOHO-UHFFFAOYSA-N 0 3 318.417 3.766 20 5 DHBDHN COc1cc(CN(C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493451 339119611 /nfs/dbraw/zinc/11/96/11/339119611.db2.gz LJJWIVSKZOWCLO-DGCLKSJQSA-N 0 3 310.369 3.753 20 5 DHBDHN COc1ccc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000467997386 339250787 /nfs/dbraw/zinc/25/07/87/339250787.db2.gz AYJBWULMUIDYCN-GFCCVEGCSA-N 0 3 318.348 3.636 20 5 DHBDHN COc1ccc(C)cc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000468002529 339250841 /nfs/dbraw/zinc/25/08/41/339250841.db2.gz GSKKCHNPRXSSRN-AWEZNQCLSA-N 0 3 314.385 3.805 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(F)cc1 ZINC000468636055 339267712 /nfs/dbraw/zinc/26/77/12/339267712.db2.gz WONQNQFVNPJRIQ-LCYFTJDESA-N 0 3 300.333 3.927 20 5 DHBDHN C[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000478845580 339523628 /nfs/dbraw/zinc/52/36/28/339523628.db2.gz OGUKNMZUFQBGFE-CMPLNLGQSA-N 0 3 314.332 3.865 20 5 DHBDHN CCC(=O)c1ccc(NC[C@@H](CC(C)C)N(C)C)c([N+](=O)[O-])c1 ZINC000479914555 339553267 /nfs/dbraw/zinc/55/32/67/339553267.db2.gz TZCCOMVEMHFEDZ-CQSZACIVSA-N 0 3 321.421 3.576 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138203 339681747 /nfs/dbraw/zinc/68/17/47/339681747.db2.gz OLWFVEIMMMAPDP-WMLDXEAASA-N 0 3 308.422 3.741 20 5 DHBDHN CC(C)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538769 339786907 /nfs/dbraw/zinc/78/69/07/339786907.db2.gz DAYFYAQCVGPAGV-SMDDNHRTSA-N 0 3 314.838 3.868 20 5 DHBDHN CCOCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000500785383 340067233 /nfs/dbraw/zinc/06/72/33/340067233.db2.gz PHEQHIJPCVRZRE-UHFFFAOYSA-N 0 3 320.414 3.792 20 5 DHBDHN COc1ccc(-c2ccc(CN(C)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000505859275 340179839 /nfs/dbraw/zinc/17/98/39/340179839.db2.gz SRBBIPMSBPOHDK-UHFFFAOYSA-N 0 3 304.346 3.704 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2c[nH]nc21 ZINC000507176962 340211281 /nfs/dbraw/zinc/21/12/81/340211281.db2.gz ZPPPWFIZOFJRJN-UHFFFAOYSA-N 0 3 324.384 3.882 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCC1=CCCCC1 ZINC000303095273 340301968 /nfs/dbraw/zinc/30/19/68/340301968.db2.gz FLJLWLSPAINADH-UHFFFAOYSA-N 0 3 304.390 3.974 20 5 DHBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724287 340336337 /nfs/dbraw/zinc/33/63/37/340336337.db2.gz VDOYGVMHOUQJNL-UPJWGTAASA-N 0 3 309.385 3.512 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000173450446 340365225 /nfs/dbraw/zinc/36/52/25/340365225.db2.gz HSSPVAWEROAGMM-STQMWFEESA-N 0 3 318.348 3.852 20 5 DHBDHN CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186832552 340516273 /nfs/dbraw/zinc/51/62/73/340516273.db2.gz OKWGBXASYPIDSM-XKQJLSEDSA-N 0 3 306.406 3.839 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOc1cccc(F)c1 ZINC000537990859 340806130 /nfs/dbraw/zinc/80/61/30/340806130.db2.gz KFVMTUVTNKXSQW-ZDUSSCGKSA-N 0 3 318.348 3.772 20 5 DHBDHN Cc1ccccc1OCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539089759 340872424 /nfs/dbraw/zinc/87/24/24/340872424.db2.gz GQNMSWFYHUKDKI-HNNXBMFYSA-N 0 3 314.385 3.941 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1ccc2ccccc2n1 ZINC000543628983 341051979 /nfs/dbraw/zinc/05/19/79/341051979.db2.gz ASLGDLYTUHJZNB-UHFFFAOYSA-N 0 3 321.380 3.784 20 5 DHBDHN CC(C)c1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180291 341073215 /nfs/dbraw/zinc/07/32/15/341073215.db2.gz FGCDVKUSJCAKQG-ROUUACIJSA-N 0 3 318.417 3.765 20 5 DHBDHN CC(C)[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370803 341078631 /nfs/dbraw/zinc/07/86/31/341078631.db2.gz MOVWIRCCLQSWGZ-DOMZBBRYSA-N 0 3 312.797 3.541 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544440536 341082224 /nfs/dbraw/zinc/08/22/24/341082224.db2.gz SNSRTRIXSNYNIN-JQFCIGGWSA-N 0 3 320.433 3.693 20 5 DHBDHN COc1ccccc1CCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000544607887 341088719 /nfs/dbraw/zinc/08/87/19/341088719.db2.gz LKZVRKHMOZBMEB-UHFFFAOYSA-N 0 3 314.385 3.586 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccc(N(C)C)c1 ZINC000075612030 341179571 /nfs/dbraw/zinc/17/95/71/341179571.db2.gz FPORMVFKBLRHQJ-CQSZACIVSA-N 0 3 313.401 3.854 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000135171032 341232764 /nfs/dbraw/zinc/23/27/64/341232764.db2.gz PDGNGGRZUJBHCQ-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000135175797 341232904 /nfs/dbraw/zinc/23/29/04/341232904.db2.gz VXDSNKWFIIPHOE-NSHDSACASA-N 0 3 306.312 3.766 20 5 DHBDHN CSc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935414 341281500 /nfs/dbraw/zinc/28/15/00/341281500.db2.gz KSYWSHXZONXOEF-UHFFFAOYSA-N 0 3 316.426 3.991 20 5 DHBDHN CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248554792 341379712 /nfs/dbraw/zinc/37/97/12/341379712.db2.gz KDRJZVSMHXDODO-COXVUDFISA-N 0 3 306.406 3.839 20 5 DHBDHN CCCN(CCC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089885876 341410462 /nfs/dbraw/zinc/41/04/62/341410462.db2.gz MZGPIMGTUXIVPK-UHFFFAOYSA-N 0 3 303.362 3.872 20 5 DHBDHN COCc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000555420134 341482347 /nfs/dbraw/zinc/48/23/47/341482347.db2.gz BVUIICSCVZCZSA-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COc2ccccc21 ZINC000566938790 341572211 /nfs/dbraw/zinc/57/22/11/341572211.db2.gz WEMDLRHYTUMWSZ-KBPBESRZSA-N 0 3 312.369 3.730 20 5 DHBDHN Cc1ccc(CN[C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000353101567 524604922 /nfs/dbraw/zinc/60/49/22/524604922.db2.gz NXBQZGILWAKUFM-GFCCVEGCSA-N 0 3 310.357 3.630 20 5 DHBDHN C[C@@H](NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000157596757 525515849 /nfs/dbraw/zinc/51/58/49/525515849.db2.gz NJDOIPQYTAVFBG-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130673407 525976131 /nfs/dbraw/zinc/97/61/31/525976131.db2.gz LMXFWERZTFVSMV-KBXCAEBGSA-N 0 3 314.385 3.596 20 5 DHBDHN CC(C)(C)[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581622 1014859393 /nfs/dbraw/zinc/85/93/93/1014859393.db2.gz DBBLQQJYWZTZSH-AWEZNQCLSA-N 0 3 303.362 3.747 20 5 DHBDHN COc1cccc(Cl)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000317618900 1015073666 /nfs/dbraw/zinc/07/36/66/1015073666.db2.gz MTWKYIBSQNCDQV-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN COCCCC1(CN(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000891622182 1015460473 /nfs/dbraw/zinc/46/04/73/1015460473.db2.gz VVYRGRFEOXBFPD-UHFFFAOYSA-N 0 3 306.406 3.624 20 5 DHBDHN COc1ccc(CN[C@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000237362633 1015472090 /nfs/dbraw/zinc/47/20/90/1015472090.db2.gz GVQXOTDOPZBDDF-ZDUSSCGKSA-N 0 3 318.398 3.832 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN[C@H]2COc3c2cccc3Cl)cc1 ZINC000610811056 1015853056 /nfs/dbraw/zinc/85/30/56/1015853056.db2.gz CKIUTJHKQNLMDS-HNNXBMFYSA-N 0 3 318.760 3.514 20 5 DHBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000065208687 1015971891 /nfs/dbraw/zinc/97/18/91/1015971891.db2.gz LAIQSXKGUJWUJR-UHFFFAOYSA-N 0 3 320.776 3.759 20 5 DHBDHN CC1(C)SC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000558792062 1012172280 /nfs/dbraw/zinc/17/22/80/1012172280.db2.gz YKDGXEXADLAJBQ-OAHLLOKOSA-N 0 3 318.398 3.838 20 5 DHBDHN CC[C@@H](C)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425416236 1012619232 /nfs/dbraw/zinc/61/92/32/1012619232.db2.gz KYOOEOGINMLUEB-SECBINFHSA-N 0 3 301.184 3.588 20 5 DHBDHN Cc1nc(CCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000154396543 1012702162 /nfs/dbraw/zinc/70/21/62/1012702162.db2.gz ZTGNUZQVZISDPN-UHFFFAOYSA-N 0 3 317.414 3.567 20 5 DHBDHN Cc1cc(NC[C@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000076651412 1017407577 /nfs/dbraw/zinc/40/75/77/1017407577.db2.gz CGRHHMGSNDQTFG-OAHLLOKOSA-N 0 3 305.403 3.680 20 5 DHBDHN CC(C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168274 1017596845 /nfs/dbraw/zinc/59/68/45/1017596845.db2.gz ZPNXEZQNBAVABI-UHFFFAOYSA-N 0 3 303.362 3.747 20 5 DHBDHN Cc1c(CN2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444692707 1017635172 /nfs/dbraw/zinc/63/51/72/1017635172.db2.gz MSCRSEVTDKQINF-LLVKDONJSA-N 0 3 302.296 3.678 20 5 DHBDHN C[C@@H]1c2c(F)cccc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000523448665 1017702065 /nfs/dbraw/zinc/70/20/65/1017702065.db2.gz DOOJJYSLICMPGE-CYBMUJFWSA-N 0 3 314.360 3.896 20 5 DHBDHN O=[N+]([O-])c1ccc(CCNCc2c(F)cccc2Cl)cc1 ZINC000040675894 1018228703 /nfs/dbraw/zinc/22/87/03/1018228703.db2.gz PVOGYPKNBMCKGQ-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN Cc1nc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000040675945 1018232687 /nfs/dbraw/zinc/23/26/87/1018232687.db2.gz ZAPRQZOSTTXLSL-SNVBAGLBSA-N 0 3 305.403 3.561 20 5 DHBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370284 1019455653 /nfs/dbraw/zinc/45/56/53/1019455653.db2.gz FOWLEMNOTJNMAG-TZMCWYRMSA-N 0 3 317.414 3.904 20 5 DHBDHN CCN(CC)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000611412450 1019476573 /nfs/dbraw/zinc/47/65/73/1019476573.db2.gz PUYGWERSSZCUAU-LBPRGKRZSA-N 0 3 309.391 3.744 20 5 DHBDHN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922540483 1020122659 /nfs/dbraw/zinc/12/26/59/1020122659.db2.gz JYLRBWHGYWTPNQ-QWHCGFSZSA-N 0 3 312.369 3.769 20 5 DHBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCCS1 ZINC000155638438 1020255398 /nfs/dbraw/zinc/25/53/98/1020255398.db2.gz INHCNQWTGCNYDB-CYBMUJFWSA-N 0 3 300.811 3.624 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922776843 1020260070 /nfs/dbraw/zinc/26/00/70/1020260070.db2.gz ZGQLBMHYXNMMQG-GDBMZVCRSA-N 0 3 318.323 3.733 20 5 DHBDHN Cc1c(CN[C@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000477743199 1032897263 /nfs/dbraw/zinc/89/72/63/1032897263.db2.gz IKCXCTPOGJVNLN-INIZCTEOSA-N 0 3 300.333 3.819 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)C2CCCCC2)C2CC2)cc1 ZINC000474977607 1020398581 /nfs/dbraw/zinc/39/85/81/1020398581.db2.gz TXSBXSUBEHEIMN-SFHVURJKSA-N 0 3 318.417 3.500 20 5 DHBDHN CCCc1ccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)cc1 ZINC001168636295 1020457143 /nfs/dbraw/zinc/45/71/43/1020457143.db2.gz UZWQCNWIKPSHBH-UHFFFAOYSA-N 0 3 311.385 3.763 20 5 DHBDHN CCS[C@@H]1CCCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000303446685 1020489950 /nfs/dbraw/zinc/48/99/50/1020489950.db2.gz JCRBKKMGVUEUJA-CQSZACIVSA-N 0 3 324.446 3.711 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCC=CO3)o2)c1 ZINC000780565997 1020512187 /nfs/dbraw/zinc/51/21/87/1020512187.db2.gz HKOHBLFXJRSTKG-HNNXBMFYSA-N 0 3 314.341 3.637 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@H]3C=CCC3)o2)c([N+](=O)[O-])c1 ZINC000850358712 1021486430 /nfs/dbraw/zinc/48/64/30/1021486430.db2.gz KDCPPUTUGZJYQE-LBPRGKRZSA-N 0 3 314.341 3.672 20 5 DHBDHN CC(C)c1ccc(CN[C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850368526 1021490071 /nfs/dbraw/zinc/49/00/71/1021490071.db2.gz YZEYISSTDABJRY-CQSZACIVSA-N 0 3 304.390 3.519 20 5 DHBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000850430752 1021528413 /nfs/dbraw/zinc/52/84/13/1021528413.db2.gz PLGRIEWUAJNZPZ-ZDUSSCGKSA-N 0 3 312.369 3.771 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169038485 1022222155 /nfs/dbraw/zinc/22/21/55/1022222155.db2.gz ZDQDLMOLRKYMBW-AXAPSJFSSA-N 0 3 310.344 3.547 20 5 DHBDHN COc1ccc(CN[C@H]2CCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000609440743 1022283139 /nfs/dbraw/zinc/28/31/39/1022283139.db2.gz LMUDNKRLVRILEN-INIZCTEOSA-N 0 3 312.369 3.689 20 5 DHBDHN COc1ccc(CNCc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000609440325 1022285522 /nfs/dbraw/zinc/28/55/22/1022285522.db2.gz JLWJAJDMLXQWEC-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN CCC[C@]1(COC)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169780242 1022545512 /nfs/dbraw/zinc/54/55/12/1022545512.db2.gz JYBBOONRGXHKBR-MRXNPFEDSA-N 0 3 310.369 3.515 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CC34CC4)cs2)c1 ZINC000418105132 1022958758 /nfs/dbraw/zinc/95/87/58/1022958758.db2.gz XOBWKEQGSCYLMI-GFCCVEGCSA-N 0 3 315.398 3.608 20 5 DHBDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481850 1023891737 /nfs/dbraw/zinc/89/17/37/1023891737.db2.gz JNMRUESFQDZGHO-STQMWFEESA-N 0 3 312.410 3.840 20 5 DHBDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792868904 1024810355 /nfs/dbraw/zinc/81/03/55/1024810355.db2.gz YLZAYXATRFLISS-JMSVASOKSA-N 0 3 319.361 3.656 20 5 DHBDHN CC[C@H](C)[C@@H](C)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868210 1024810410 /nfs/dbraw/zinc/81/04/10/1024810410.db2.gz SDTICLKYVXYNEK-NWDGAFQWSA-N 0 3 321.377 3.902 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc2c(c1)COC2 ZINC000539059384 1033259058 /nfs/dbraw/zinc/25/90/58/1033259058.db2.gz BVEIGBVUGGDZOS-ZDUSSCGKSA-N 0 3 312.369 3.784 20 5 DHBDHN CC(C)(CC(F)(F)F)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000614822473 1025244746 /nfs/dbraw/zinc/24/47/46/1025244746.db2.gz QNQYIDIBXJJOHW-FNORWQNLSA-N 0 3 302.296 3.929 20 5 DHBDHN Cc1cnc(Cl)c(CNC[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897459304 1025356494 /nfs/dbraw/zinc/35/64/94/1025356494.db2.gz JVJWKKUKWPBNJS-LBPRGKRZSA-N 0 3 319.792 3.845 20 5 DHBDHN C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114504 1025513550 /nfs/dbraw/zinc/51/35/50/1025513550.db2.gz QOPHNTYNKTYORG-KGLIPLIRSA-N 0 3 304.390 3.595 20 5 DHBDHN COc1ccc(CN[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237167736 1026936463 /nfs/dbraw/zinc/93/64/63/1026936463.db2.gz YWDLNBLLKMRVKK-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421824404 1027058444 /nfs/dbraw/zinc/05/84/44/1027058444.db2.gz IMLRRJZLYHCMHU-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000571997568 1027164102 /nfs/dbraw/zinc/16/41/02/1027164102.db2.gz UCEPVIXBMAEPDA-IUODEOHRSA-N 0 3 324.808 3.639 20 5 DHBDHN COc1cccc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933489 1027342593 /nfs/dbraw/zinc/34/25/93/1027342593.db2.gz GWOYYFLQUIIXRX-SJCJKPOMSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1[N+](=O)[O-] ZINC001170682233 1027353624 /nfs/dbraw/zinc/35/36/24/1027353624.db2.gz YCYYKVTZBNTQLJ-ZDUSSCGKSA-N 0 3 322.368 3.776 20 5 DHBDHN CSc1cc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)cc1Cl ZINC000813102043 1027518600 /nfs/dbraw/zinc/51/86/00/1027518600.db2.gz AFURPVBNABTYKH-ZCFIWIBFSA-N 0 3 324.185 3.537 20 5 DHBDHN CC(COC(=O)CC(C)(C)Cc1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813101518 1027520944 /nfs/dbraw/zinc/52/09/44/1027520944.db2.gz CRYGYONULVXOPI-LLVKDONJSA-N 0 3 313.781 3.507 20 5 DHBDHN CC(COC(=O)CCCc1ccc(C(C)(C)C)cc1)[N+](=O)[O-] ZINC000813113830 1027536179 /nfs/dbraw/zinc/53/61/79/1027536179.db2.gz JSSBGVNOCBJLHU-ZDUSSCGKSA-N 0 3 307.390 3.515 20 5 DHBDHN Cc1noc(CN2CCC[C@]2(C)Cc2cccs2)c1[N+](=O)[O-] ZINC000932924089 1027653153 /nfs/dbraw/zinc/65/31/53/1027653153.db2.gz WAWXYYDPOFMHJX-OAHLLOKOSA-N 0 3 321.402 3.550 20 5 DHBDHN CCc1cnccc1[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600322 1028564665 /nfs/dbraw/zinc/56/46/65/1028564665.db2.gz QLWNZSLRXUHXCH-VXGBXAGGSA-N 0 3 314.389 3.546 20 5 DHBDHN COC[C@@]1(C)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449391344 1028608925 /nfs/dbraw/zinc/60/89/25/1028608925.db2.gz HYFMTEBRZLJVGZ-KRWDZBQOSA-N 0 3 306.406 3.577 20 5 DHBDHN Cc1ncsc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449497300 1028709449 /nfs/dbraw/zinc/70/94/49/1028709449.db2.gz IQFXJQBVWGQPIS-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000568139613 1029014007 /nfs/dbraw/zinc/01/40/07/1029014007.db2.gz JQELOGGYSLWEHU-RVDMUPIBSA-N 0 3 311.385 3.915 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000451963649 1030067866 /nfs/dbraw/zinc/06/78/66/1030067866.db2.gz HTBWHROUPGRXLH-XJKSGUPXSA-N 0 3 306.431 3.875 20 5 DHBDHN C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900346 1030245498 /nfs/dbraw/zinc/24/54/98/1030245498.db2.gz NXEIUFRLNNCLTF-KWQFWETISA-N 0 3 319.188 3.559 20 5 DHBDHN C[C@@]1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766605 1030627548 /nfs/dbraw/zinc/62/75/48/1030627548.db2.gz VVFBFQBZCDZFHZ-NSHDSACASA-N 0 3 323.607 3.922 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000825299425 1030767977 /nfs/dbraw/zinc/76/79/77/1030767977.db2.gz KFWMMKHEASSKFN-HUUCEWRRSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cc(CN2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559003 1031030603 /nfs/dbraw/zinc/03/06/03/1031030603.db2.gz OYNCHYPWQOEQOH-SUMWQHHRSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1([C@@H]2CCCCO2)CC1 ZINC000927161083 1031124644 /nfs/dbraw/zinc/12/46/44/1031124644.db2.gz OOHHMNITAFIBDA-CJNGLKHVSA-N 0 3 304.390 3.656 20 5 DHBDHN Cc1nc(C)c(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872033224 1031416382 /nfs/dbraw/zinc/41/63/82/1031416382.db2.gz AJYSQCBNBBUHNS-JTQLQIEISA-N 0 3 323.393 3.701 20 5 DHBDHN CSC[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040513 1031426498 /nfs/dbraw/zinc/42/64/98/1031426498.db2.gz ZPOFDUNBUZRQBQ-ZJUUUORDSA-N 0 3 300.449 3.719 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)CC1CCC1 ZINC000872070256 1031464390 /nfs/dbraw/zinc/46/43/90/1031464390.db2.gz YHDQOXRVCLZGLE-WCQYABFASA-N 0 3 324.446 3.518 20 5 DHBDHN C[C@@H](NC[C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074829 1031471137 /nfs/dbraw/zinc/47/11/37/1031471137.db2.gz IVUSLBIQZFJCJY-CHWSQXEVSA-N 0 3 322.380 3.734 20 5 DHBDHN C[C@H](NC[C@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080537 1031476514 /nfs/dbraw/zinc/47/65/14/1031476514.db2.gz RIUYJKBPQYYFJN-NWDGAFQWSA-N 0 3 324.421 3.918 20 5 DHBDHN C[C@H](NC[C@@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080538 1031476823 /nfs/dbraw/zinc/47/68/23/1031476823.db2.gz RIUYJKBPQYYFJN-RYUDHWBXSA-N 0 3 324.421 3.918 20 5 DHBDHN C[C@@H](NC[C@H](C)c1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086375 1031483404 /nfs/dbraw/zinc/48/34/04/1031483404.db2.gz WEKUHOGWEPXYHU-NWDGAFQWSA-N 0 3 303.337 3.583 20 5 DHBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000537310345 1031567811 /nfs/dbraw/zinc/56/78/11/1031567811.db2.gz HQYQNHAJQOXKGS-LXIYXOSZSA-N 0 3 312.369 3.638 20 5 DHBDHN CC([C@@H](OC(=O)CCCC1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877627 1031752491 /nfs/dbraw/zinc/75/24/91/1031752491.db2.gz FTMDVXVIZNGKIS-MEDUHNTESA-N 0 3 309.337 3.656 20 5 DHBDHN COc1ccccc1C1CC(NCc2csc([N+](=O)[O-])c2)C1 ZINC000361268820 1031826254 /nfs/dbraw/zinc/82/62/54/1031826254.db2.gz MIUUGRPPUVYQMD-UHFFFAOYSA-N 0 3 318.398 3.701 20 5 DHBDHN Cc1csc([C@H]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000877813023 1033463137 /nfs/dbraw/zinc/46/31/37/1033463137.db2.gz IHHJLORVIUKKDR-AWEZNQCLSA-N 0 3 317.414 3.658 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069564 1033508958 /nfs/dbraw/zinc/50/89/58/1033508958.db2.gz WWWIVPANBVEALJ-SUMWQHHRSA-N 0 3 316.405 3.685 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCCCC2)c1F ZINC001173181283 1033580225 /nfs/dbraw/zinc/58/02/25/1033580225.db2.gz NVDIQZNCDWHZHP-LBPRGKRZSA-N 0 3 310.369 3.550 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](C)C[C@H]2C)c1F ZINC001173189891 1033583787 /nfs/dbraw/zinc/58/37/87/1033583787.db2.gz OICIJNPSJOJHKY-UPJWGTAASA-N 0 3 324.396 3.794 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)cnc1Cl ZINC001173220492 1033600417 /nfs/dbraw/zinc/60/04/17/1033600417.db2.gz FKTNVHXPZHTDAY-JTQLQIEISA-N 0 3 323.755 3.503 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878614935 1033771826 /nfs/dbraw/zinc/77/18/26/1033771826.db2.gz SYWPMFJOLKMHMS-QGZVFWFLSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1c(CNCc2cc3c(cccc3F)[nH]2)cccc1[N+](=O)[O-] ZINC000480460344 1034261172 /nfs/dbraw/zinc/26/11/72/1034261172.db2.gz KEGRCMILGHZDRW-UHFFFAOYSA-N 0 3 313.332 3.813 20 5 DHBDHN Cc1ccc([C@H](C)NC2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160555 1034379574 /nfs/dbraw/zinc/37/95/74/1034379574.db2.gz CRPIHKYHLHWGMB-XJKSGUPXSA-N 0 3 304.390 3.656 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600213445 1034809397 /nfs/dbraw/zinc/80/93/97/1034809397.db2.gz FSTCMECIOWSGJD-MAVJXHJTSA-N 0 3 324.380 3.803 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](c2ccc(O)cc2)C1 ZINC000600213447 1034809568 /nfs/dbraw/zinc/80/95/68/1034809568.db2.gz FSTCMECIOWSGJD-RCFWFJCLSA-N 0 3 324.380 3.803 20 5 DHBDHN CCC(O)(CC)C(C)(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001175568630 1035045604 /nfs/dbraw/zinc/04/56/04/1035045604.db2.gz COFZCDFQPPDCHM-UHFFFAOYSA-N 0 3 314.813 3.668 20 5 DHBDHN C[C@@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001175982324 1035173684 /nfs/dbraw/zinc/17/36/84/1035173684.db2.gz FOHFHENIAMQZDN-NSHDSACASA-N 0 3 304.394 3.585 20 5 DHBDHN CC[C@@H](C)CCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001179104835 1035465416 /nfs/dbraw/zinc/46/54/16/1035465416.db2.gz DQOAZUQGWCUBBS-SNVBAGLBSA-N 0 3 315.211 3.883 20 5 DHBDHN Cc1cc(NC[C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000485400738 1035597207 /nfs/dbraw/zinc/59/72/07/1035597207.db2.gz CXOJRYALLZBUMM-LLVKDONJSA-N 0 3 321.327 3.721 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000595044478 1035866804 /nfs/dbraw/zinc/86/68/04/1035866804.db2.gz JDMXLCMTCNDEGN-SGMGOOAPSA-N 0 3 322.405 3.600 20 5 DHBDHN CCC[C@]1(COC)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000773961618 1036071599 /nfs/dbraw/zinc/07/15/99/1036071599.db2.gz SOHKMDRUDHLXRH-MRXNPFEDSA-N 0 3 310.369 3.515 20 5 DHBDHN CC(C)N(C/C=C/c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000495079484 1036229037 /nfs/dbraw/zinc/22/90/37/1036229037.db2.gz NWWDXXKYTQIOKP-ONEGZZNKSA-N 0 3 311.385 3.914 20 5 DHBDHN CC(C)CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774635866 1036599278 /nfs/dbraw/zinc/59/92/78/1036599278.db2.gz SEYYFIDQZRYAPB-UHFFFAOYSA-N 0 3 322.796 3.676 20 5 DHBDHN CCC(CC)N(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000774834128 1037037787 /nfs/dbraw/zinc/03/77/87/1037037787.db2.gz BHCAQFIKPDHGSA-UHFFFAOYSA-N 0 3 307.350 3.656 20 5 DHBDHN Cc1ccc([C@@H](C)NCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000316293181 1037083547 /nfs/dbraw/zinc/08/35/47/1037083547.db2.gz KZPDMCSHBJAQHM-CQSZACIVSA-N 0 3 306.406 3.903 20 5 DHBDHN CCO[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194461924 1037504824 /nfs/dbraw/zinc/50/48/24/1037504824.db2.gz NUCCYQVZVURBMN-SFHVURJKSA-N 0 3 314.385 3.771 20 5 DHBDHN C[C@H](NCc1ccc2cnccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000324251586 1037955068 /nfs/dbraw/zinc/95/50/68/1037955068.db2.gz HXHWOLAJJYFUBX-ZDUSSCGKSA-N 0 3 307.353 3.994 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067104 1038224287 /nfs/dbraw/zinc/22/42/87/1038224287.db2.gz TXZYQDVJOGTZHZ-MNOVXSKESA-N 0 3 309.391 3.791 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2cccnc2)CC1 ZINC000589196030 1038446942 /nfs/dbraw/zinc/44/69/42/1038446942.db2.gz BDMWCBONMTZGED-DAXSKMNVSA-N 0 3 323.396 3.883 20 5 DHBDHN CC(C)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001191899509 1038564696 /nfs/dbraw/zinc/56/46/96/1038564696.db2.gz LFLSIMPTJGIVGF-AWEZNQCLSA-N 0 3 321.377 3.904 20 5 DHBDHN Cc1c(CN2CCC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590601876 1038676489 /nfs/dbraw/zinc/67/64/89/1038676489.db2.gz SHBPDMILCXDEBY-MRXNPFEDSA-N 0 3 311.385 3.678 20 5 DHBDHN Cc1ccc([C@@H](C)NC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550223 1038704380 /nfs/dbraw/zinc/70/43/80/1038704380.db2.gz VYTHDEJSCZTCRU-MWLCHTKSSA-N 0 3 303.189 3.748 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000598989926 1038969111 /nfs/dbraw/zinc/96/91/11/1038969111.db2.gz WDXRGWISLTWCIE-USXIJHARSA-N 0 3 314.772 3.676 20 5 DHBDHN O=[N+]([O-])c1cccc(CNCc2ccccc2CC(F)(F)F)c1 ZINC000599014543 1038997711 /nfs/dbraw/zinc/99/77/11/1038997711.db2.gz BNYAMNWWWMTFER-UHFFFAOYSA-N 0 3 324.302 3.989 20 5 DHBDHN Cc1c(CN2CCC[C@H]2c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000604484504 1039480965 /nfs/dbraw/zinc/48/09/65/1039480965.db2.gz YYHSXROKWLIIET-SFHVURJKSA-N 0 3 312.369 3.946 20 5 DHBDHN C[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000594955943 1039962110 /nfs/dbraw/zinc/96/21/10/1039962110.db2.gz QLEBWJWUFOLKEN-LLVKDONJSA-N 0 3 305.765 3.537 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCC1(F)F ZINC000595042217 1040046273 /nfs/dbraw/zinc/04/62/73/1040046273.db2.gz QUBJWYHCDOUQAS-WDEREUQCSA-N 0 3 314.332 3.689 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC(C(F)(F)F)C1 ZINC000595046911 1040052109 /nfs/dbraw/zinc/05/21/09/1040052109.db2.gz DDYHUMYHGOTLIV-XNWIYYODSA-N 0 3 318.295 3.595 20 5 DHBDHN COCc1csc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000595075389 1040069234 /nfs/dbraw/zinc/06/92/34/1040069234.db2.gz ANTAFGZHYOWYNB-OAHLLOKOSA-N 0 3 318.398 3.580 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1C(C)(C)C1(F)F ZINC000595095271 1040082152 /nfs/dbraw/zinc/08/21/52/1040082152.db2.gz VITPTGGTHATUSV-RNCFNFMXSA-N 0 3 314.332 3.545 20 5 DHBDHN CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000595497960 1040154458 /nfs/dbraw/zinc/15/44/58/1040154458.db2.gz PLJSPZQLYZHRLQ-UHFFFAOYSA-N 0 3 302.296 3.744 20 5 DHBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000595570735 1040163298 /nfs/dbraw/zinc/16/32/98/1040163298.db2.gz YMSMDBLWPHQLRW-NWDGAFQWSA-N 0 3 320.286 3.945 20 5 DHBDHN CC[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000595765766 1040233822 /nfs/dbraw/zinc/23/38/22/1040233822.db2.gz NWBQFBZZCQJJBA-OAHLLOKOSA-N 0 3 301.346 3.528 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650449 1040539475 /nfs/dbraw/zinc/53/94/75/1040539475.db2.gz JCTATWGIFSBRKM-SJCJKPOMSA-N 0 3 311.385 3.824 20 5 DHBDHN O=[N+]([O-])c1ccc(CCCCNCc2cc(C3CC3)no2)cc1 ZINC000602560522 1041095512 /nfs/dbraw/zinc/09/55/12/1041095512.db2.gz MTIUZWHASGIYFV-UHFFFAOYSA-N 0 3 315.373 3.573 20 5 DHBDHN CC[C@@](C)(CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000602674136 1041142208 /nfs/dbraw/zinc/14/22/08/1041142208.db2.gz FGNOBZGWDVMNBW-ZDUSSCGKSA-N 0 3 320.311 3.518 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCC[C@H]3CC=CCC3)nc2c1 ZINC000602724656 1041178361 /nfs/dbraw/zinc/17/83/61/1041178361.db2.gz JMCUOXZNMNXFBK-LBPRGKRZSA-N 0 3 301.346 3.572 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000602852128 1041258900 /nfs/dbraw/zinc/25/89/00/1041258900.db2.gz CPMDOLVEWLGXOS-HOCLYGCPSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728487 185311535 /nfs/dbraw/zinc/31/15/35/185311535.db2.gz URXHDTAWWGVTFF-GHMZBOCLSA-N 0 3 303.362 3.654 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000272129139 130001091 /nfs/dbraw/zinc/00/10/91/130001091.db2.gz VTGBUNXKZDEHRR-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H]1C[C@@H](CCNCc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092057 130088893 /nfs/dbraw/zinc/08/88/93/130088893.db2.gz SSEKKEOUTOBUJF-NEPJUHHUSA-N 0 3 312.797 3.543 20 5 DHBDHN COc1ccsc1[C@@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000274584575 130247442 /nfs/dbraw/zinc/24/74/42/130247442.db2.gz LYCLHVVKXPYJAF-LLVKDONJSA-N 0 3 306.387 3.558 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC2(CCOCC2)CC1 ZINC000284963540 131126090 /nfs/dbraw/zinc/12/60/90/131126090.db2.gz ZYSRTANEEHBPJO-AWEZNQCLSA-N 0 3 304.390 3.548 20 5 DHBDHN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228045 131149637 /nfs/dbraw/zinc/14/96/37/131149637.db2.gz PCUUHKFLHINMCH-QFYYESIMSA-N 0 3 315.348 3.654 20 5 DHBDHN CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC(C)(C)C1 ZINC000289365414 131378910 /nfs/dbraw/zinc/37/89/10/131378910.db2.gz ATMUBYBWVAHOIL-AWEZNQCLSA-N 0 3 310.369 3.513 20 5 DHBDHN CCOc1ccc([C@H](C)NCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297350326 132011456 /nfs/dbraw/zinc/01/14/56/132011456.db2.gz PBULCQVUYDVFCN-JTQLQIEISA-N 0 3 302.321 3.689 20 5 DHBDHN CC(C)c1ccc(CN(C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000119768679 132137165 /nfs/dbraw/zinc/13/71/65/132137165.db2.gz YTGSRMJIAWHQMP-OAHLLOKOSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@@H](NC[C@H](c1cccs1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122144839 132162000 /nfs/dbraw/zinc/16/20/00/132162000.db2.gz SEBZTRNQMQZBMB-IUODEOHRSA-N 0 3 319.430 3.610 20 5 DHBDHN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000518440462 332040633 /nfs/dbraw/zinc/04/06/33/332040633.db2.gz USKAPCVRAYQLEK-UHFFFAOYSA-N 0 3 314.385 3.592 20 5 DHBDHN COc1cc(CN2CC(C)(C)[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000559431931 332258550 /nfs/dbraw/zinc/25/85/50/332258550.db2.gz MHKLYXURHBLFSG-UONOGXRCSA-N 0 3 304.390 3.614 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(C(F)(F)F)CC1 ZINC000560584129 332365396 /nfs/dbraw/zinc/36/53/96/332365396.db2.gz HRPSDIQZJIBGRZ-SNVBAGLBSA-N 0 3 302.296 3.896 20 5 DHBDHN CCCCOCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168123408 332513406 /nfs/dbraw/zinc/51/34/06/332513406.db2.gz NVVFGUCDLZCFTD-UHFFFAOYSA-N 0 3 300.786 3.545 20 5 DHBDHN Cc1c(CN[C@@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000318136504 332609616 /nfs/dbraw/zinc/60/96/16/332609616.db2.gz DPIVALBMSNTIMA-MRXNPFEDSA-N 0 3 300.333 3.819 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCc1cccc(F)c1F ZINC000565217450 332645602 /nfs/dbraw/zinc/64/56/02/332645602.db2.gz LSQOXMTWQRMHRK-HNNXBMFYSA-N 0 3 318.323 3.693 20 5 DHBDHN CCC[C@H](N[C@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327771 333267534 /nfs/dbraw/zinc/26/75/34/333267534.db2.gz CQTATNDIIIUTJT-OAUYIBNBSA-N 0 3 306.406 3.839 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000319723584 333400545 /nfs/dbraw/zinc/40/05/45/333400545.db2.gz PBYZFZWVVMVAOK-INIZCTEOSA-N 0 3 304.390 3.566 20 5 DHBDHN Cc1c2ccccc2n(C)c1CNCc1cccc([N+](=O)[O-])c1 ZINC000391414971 333491194 /nfs/dbraw/zinc/49/11/94/333491194.db2.gz OFNUQDOJODQBDG-UHFFFAOYSA-N 0 3 309.369 3.685 20 5 DHBDHN CCN(CC)CCSc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413168195 333834679 /nfs/dbraw/zinc/83/46/79/333834679.db2.gz MMAJULKDQWWFMQ-UHFFFAOYSA-N 0 3 305.403 3.577 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414238225 333917977 /nfs/dbraw/zinc/91/79/77/333917977.db2.gz XHMZHNWZCZTXGQ-NTZNESFSSA-N 0 3 310.419 3.538 20 5 DHBDHN Cc1c([C@@H](C)NCC(C)(C)OCC2CC2)cccc1[N+](=O)[O-] ZINC000414253797 333926369 /nfs/dbraw/zinc/92/63/69/333926369.db2.gz DKYXNBONJTZEAS-CYBMUJFWSA-N 0 3 306.406 3.759 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc2c(c1)CCCN2 ZINC000414976522 334222107 /nfs/dbraw/zinc/22/21/07/334222107.db2.gz ICAXILONDJDXAV-UHFFFAOYSA-N 0 3 311.385 3.551 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858334 334288182 /nfs/dbraw/zinc/28/81/82/334288182.db2.gz HOOMGJVBUYTCNC-GXTWGEPZSA-N 0 3 322.405 3.602 20 5 DHBDHN C[C@H](NCCO[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938546 334299357 /nfs/dbraw/zinc/29/93/57/334299357.db2.gz OBFWXWWUIXZRGA-GRDNDAEWSA-N 0 3 306.406 3.841 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCCc2ccccc2)c(Cl)c1 ZINC000049963462 334359632 /nfs/dbraw/zinc/35/96/32/334359632.db2.gz MDBNJCDZASMXPW-UHFFFAOYSA-N 0 3 304.777 3.971 20 5 DHBDHN CC[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340874725 334392197 /nfs/dbraw/zinc/39/21/97/334392197.db2.gz JBMMLUXPDQXECC-AWEZNQCLSA-N 0 3 301.346 3.624 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000366797671 334598648 /nfs/dbraw/zinc/59/86/48/334598648.db2.gz RAIHFAHLDUKJJA-CQSZACIVSA-N 0 3 311.385 3.930 20 5 DHBDHN Cc1cc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000417347691 334706281 /nfs/dbraw/zinc/70/62/81/334706281.db2.gz HSKVBAFXADKTJJ-SFHVURJKSA-N 0 3 311.385 3.856 20 5 DHBDHN CC1CCC(O)(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000343920339 335202122 /nfs/dbraw/zinc/20/21/22/335202122.db2.gz ADPJRSYVHYLBEJ-UHFFFAOYSA-N 0 3 318.417 3.500 20 5 DHBDHN CCCC[C@@H]1CCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677766 338481745 /nfs/dbraw/zinc/48/17/45/338481745.db2.gz UWJGQWICKBFLMV-OCCSQVGLSA-N 0 3 316.405 3.920 20 5 DHBDHN CCS[C@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540040 336223401 /nfs/dbraw/zinc/22/34/01/336223401.db2.gz GMMBQHHVSVAOKB-KGLIPLIRSA-N 0 3 324.446 3.709 20 5 DHBDHN CO[C@]1(C)C[C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531607 336254017 /nfs/dbraw/zinc/25/40/17/336254017.db2.gz UGSUWUBLQXXTCM-XGWLTEMNSA-N 0 3 306.406 3.757 20 5 DHBDHN CN(C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000301162978 336292736 /nfs/dbraw/zinc/29/27/36/336292736.db2.gz FVRPURWEKHZDRS-HNNXBMFYSA-N 0 3 321.327 3.588 20 5 DHBDHN Cc1ccc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000301432183 336306510 /nfs/dbraw/zinc/30/65/10/336306510.db2.gz HJVFANLDEXWBJW-AWEZNQCLSA-N 0 3 305.403 3.680 20 5 DHBDHN CN(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000301800843 336330901 /nfs/dbraw/zinc/33/09/01/336330901.db2.gz SZKGUUQHJCIDKH-HNNXBMFYSA-N 0 3 321.327 3.588 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000301820322 336332208 /nfs/dbraw/zinc/33/22/08/336332208.db2.gz AZOGLEDBFXYNEN-MAUKXSAKSA-N 0 3 311.385 3.761 20 5 DHBDHN Cc1cccc(CCCNCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000352895882 336369675 /nfs/dbraw/zinc/36/96/75/336369675.db2.gz FPKLDXUFDMFYAG-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN C[C@H](NC[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882198 336873544 /nfs/dbraw/zinc/87/35/44/336873544.db2.gz JKCXDEUZBCIXJZ-UGSOOPFHSA-N 0 3 312.369 3.559 20 5 DHBDHN CO[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000582431076 336974928 /nfs/dbraw/zinc/97/49/28/336974928.db2.gz RJPRAISWPHVUEQ-FUHWJXTLSA-N 0 3 312.369 3.559 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000374329244 336987445 /nfs/dbraw/zinc/98/74/45/336987445.db2.gz JWKHEUDROCENQI-RHSMWYFYSA-N 0 3 311.385 3.806 20 5 DHBDHN CC[C@H](c1ccccc1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395216 337010363 /nfs/dbraw/zinc/01/03/63/337010363.db2.gz XBRYYSORHFZSSK-NVXWUHKLSA-N 0 3 314.389 3.580 20 5 DHBDHN CC[C@H](NCc1ccccc1COC)c1cccc([N+](=O)[O-])c1 ZINC000193894048 337079871 /nfs/dbraw/zinc/07/98/71/337079871.db2.gz ORGHJWOVPDAMNG-SFHVURJKSA-N 0 3 314.385 3.982 20 5 DHBDHN Cc1cccc2c1OC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000514665703 337143878 /nfs/dbraw/zinc/14/38/78/337143878.db2.gz KXZGPXIYKLUSIK-MPNRVQBSSA-N 0 3 324.380 3.510 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000182674152 337189340 /nfs/dbraw/zinc/18/93/40/337189340.db2.gz QSVNWUIPYKGSOI-KGLIPLIRSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nccs2)C1 ZINC000183312777 337192852 /nfs/dbraw/zinc/19/28/52/337192852.db2.gz OZSBHXBXRUKKBF-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN CC[C@@H](NC[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288134 337255310 /nfs/dbraw/zinc/25/53/10/337255310.db2.gz JSGJNQJLYYHOBW-IAGOWNOFSA-N 0 3 312.369 3.639 20 5 DHBDHN Cc1ccccc1OCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536883397 337844331 /nfs/dbraw/zinc/84/43/31/337844331.db2.gz UFPWTHFGMSHHHQ-AWEZNQCLSA-N 0 3 300.358 3.633 20 5 DHBDHN Cc1cccc(OCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000315034171 337979508 /nfs/dbraw/zinc/97/95/08/337979508.db2.gz XJPDNJPNJAEEGH-AWEZNQCLSA-N 0 3 300.358 3.633 20 5 DHBDHN Cc1ccoc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000426290696 338024864 /nfs/dbraw/zinc/02/48/64/338024864.db2.gz KFACOTLAMWAENU-HNNXBMFYSA-N 0 3 300.358 3.607 20 5 DHBDHN C[C@@H]1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583813 338085206 /nfs/dbraw/zinc/08/52/06/338085206.db2.gz BWBKOAWUTVGRNN-MLGOLLRUSA-N 0 3 315.373 3.870 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccncc2)CC1 ZINC000429585428 338085291 /nfs/dbraw/zinc/08/52/91/338085291.db2.gz RIWMMGHFCNNSSU-AWEZNQCLSA-N 0 3 311.385 3.930 20 5 DHBDHN CSC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430192892 338100476 /nfs/dbraw/zinc/10/04/76/338100476.db2.gz DRCSSUOYQRFSPH-BMWLXYDHSA-N 0 3 306.431 3.683 20 5 DHBDHN C[C@H]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046842 338178219 /nfs/dbraw/zinc/17/82/19/338178219.db2.gz QPHPXSHNTALTBI-JQWIXIFHSA-N 0 3 314.332 3.817 20 5 DHBDHN CCCCOCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163955 338183454 /nfs/dbraw/zinc/18/34/54/338183454.db2.gz ZBNCMQBCTXALQK-INIZCTEOSA-N 0 3 306.406 3.724 20 5 DHBDHN CO[C@H](CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291689 338189510 /nfs/dbraw/zinc/18/95/10/338189510.db2.gz VCWYTBJIDAVQFY-HZPDHXFCSA-N 0 3 306.406 3.578 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000435791099 338249462 /nfs/dbraw/zinc/24/94/62/338249462.db2.gz PNVCHJUFQTZLKS-SHTZXODSSA-N 0 3 300.333 3.770 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000439886447 338380143 /nfs/dbraw/zinc/38/01/43/338380143.db2.gz GNEIPZHGBJTYTN-GOEBONIOSA-N 0 3 311.385 3.842 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000439886446 338380167 /nfs/dbraw/zinc/38/01/67/338380167.db2.gz GNEIPZHGBJTYTN-GDBMZVCRSA-N 0 3 311.385 3.842 20 5 DHBDHN CCC(O)(CC)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447602014 338561562 /nfs/dbraw/zinc/56/15/62/338561562.db2.gz SBKVITUVGRVUTD-INIZCTEOSA-N 0 3 306.406 3.503 20 5 DHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000449058987 338589315 /nfs/dbraw/zinc/58/93/15/338589315.db2.gz NQFQGFUBZXTHGI-BBRMVZONSA-N 0 3 312.369 3.639 20 5 DHBDHN CCOc1ccc([C@H](C)NC[C@H](OC)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000453268943 338816510 /nfs/dbraw/zinc/81/65/10/338816510.db2.gz OXTXMGQLFRLNEP-DCGLDWPTSA-N 0 3 324.421 3.705 20 5 DHBDHN CO[C@@](C)(CN[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000453328679 338825782 /nfs/dbraw/zinc/82/57/82/338825782.db2.gz VGYLWYUBDQAXKT-KDOFPFPSSA-N 0 3 314.385 3.807 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453414552 338840429 /nfs/dbraw/zinc/84/04/29/338840429.db2.gz SUZXTTGMYCDSHG-FRFSOERESA-N 0 3 306.406 3.902 20 5 DHBDHN C[C@H](CCCc1cccnc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC000459641322 339039824 /nfs/dbraw/zinc/03/98/24/339039824.db2.gz MIEOCUXKEUVVKU-CYBMUJFWSA-N 0 3 317.364 3.630 20 5 DHBDHN C[C@@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786115 339048466 /nfs/dbraw/zinc/04/84/66/339048466.db2.gz BBSVJXBEKNQNPX-STQMWFEESA-N 0 3 322.405 3.565 20 5 DHBDHN Cc1ccc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067269 339132840 /nfs/dbraw/zinc/13/28/40/339132840.db2.gz BROJWLGTBCLVGV-HOTGVXAUSA-N 0 3 306.406 3.585 20 5 DHBDHN COc1cc(CN(C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000464501413 339143709 /nfs/dbraw/zinc/14/37/09/339143709.db2.gz VLYRBAIHLJZPMY-LBPRGKRZSA-N 0 3 308.353 3.531 20 5 DHBDHN COc1cc(CN2[C@H](C)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464678513 339148442 /nfs/dbraw/zinc/14/84/42/339148442.db2.gz PMWBRAYMBBPFNP-JMSVASOKSA-N 0 3 322.380 3.896 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000464845770 339157236 /nfs/dbraw/zinc/15/72/36/339157236.db2.gz HFMFXSHOPUEXBA-OKILXGFUSA-N 0 3 304.390 3.614 20 5 DHBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000466472919 339206502 /nfs/dbraw/zinc/20/65/02/339206502.db2.gz IRAHKCHMAWPKCA-JKSUJKDBSA-N 0 3 324.808 3.543 20 5 DHBDHN C[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000467862617 339248043 /nfs/dbraw/zinc/24/80/43/339248043.db2.gz IMYGWUYODDCMDA-CHWSQXEVSA-N 0 3 318.348 3.852 20 5 DHBDHN Cc1c([C@H](C)N[C@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550331 339540631 /nfs/dbraw/zinc/54/06/31/339540631.db2.gz BYNUAKMSJMOXPJ-KBPBESRZSA-N 0 3 308.422 3.741 20 5 DHBDHN COc1cc(CN[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481210025 339598444 /nfs/dbraw/zinc/59/84/44/339598444.db2.gz VXOFXYMJLOWERY-COPLHBTASA-N 0 3 310.369 3.657 20 5 DHBDHN CCc1cc(OC)ccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000500421273 340057964 /nfs/dbraw/zinc/05/79/64/340057964.db2.gz HEOLVHYAPPZFRM-UHFFFAOYSA-N 0 3 314.385 3.764 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503911332 340136649 /nfs/dbraw/zinc/13/66/49/340136649.db2.gz PFLSSBQWEOICBC-ZKYQVNSYSA-N 0 3 314.332 3.714 20 5 DHBDHN CCCN(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506771655 340201530 /nfs/dbraw/zinc/20/15/30/340201530.db2.gz HXWRIMRSMLDHGR-UHFFFAOYSA-N 0 3 320.414 3.528 20 5 DHBDHN CC[C@H]1C[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793633 340231752 /nfs/dbraw/zinc/23/17/52/340231752.db2.gz HURPCPBVKZMFJD-YOEHRIQHSA-N 0 3 318.417 3.764 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000302862967 340284603 /nfs/dbraw/zinc/28/46/03/340284603.db2.gz UMKBLERPEQQHOE-KRWDZBQOSA-N 0 3 311.385 3.671 20 5 DHBDHN C[C@@H](CCc1c(F)cccc1F)NCc1ccccc1[N+](=O)[O-] ZINC000510680937 340306354 /nfs/dbraw/zinc/30/63/54/340306354.db2.gz JSQYNKHJLWFUOO-LBPRGKRZSA-N 0 3 320.339 3.984 20 5 DHBDHN COc1cccc([C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511107685 340320925 /nfs/dbraw/zinc/32/09/25/340320925.db2.gz LLYIQAXBUUNILY-CQSZACIVSA-N 0 3 314.385 3.839 20 5 DHBDHN CC(C)c1ccc(OCCNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000513594076 340414528 /nfs/dbraw/zinc/41/45/28/340414528.db2.gz NMEYEQCOKLMZDS-UHFFFAOYSA-N 0 3 314.385 3.887 20 5 DHBDHN C[C@H](NCCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000540194324 340922701 /nfs/dbraw/zinc/92/27/01/340922701.db2.gz GINFSSCNGYHCFN-LBPRGKRZSA-N 0 3 320.776 3.978 20 5 DHBDHN CCN(CCC1CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000546265604 341160296 /nfs/dbraw/zinc/16/02/96/341160296.db2.gz RBYHSMQOCHFKHS-UHFFFAOYSA-N 0 3 314.332 3.818 20 5 DHBDHN COc1ccccc1C[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000075897092 341188419 /nfs/dbraw/zinc/18/84/19/341188419.db2.gz XXMXJFQNMCQKDC-AWEZNQCLSA-N 0 3 314.385 3.666 20 5 DHBDHN C[C@@H]1C[C@@H]1c1ccc(CNCCc2ccccc2[N+](=O)[O-])o1 ZINC000548723053 341270628 /nfs/dbraw/zinc/27/06/28/341270628.db2.gz OWXBXUZCLLAEMZ-DOMZBBRYSA-N 0 3 300.358 3.644 20 5 DHBDHN CC1(C)SC[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233412 341289191 /nfs/dbraw/zinc/28/91/91/341289191.db2.gz WVRQHIQRXUFXEZ-KBPBESRZSA-N 0 3 306.431 3.801 20 5 DHBDHN CCCOC1(CNCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000565625692 341533048 /nfs/dbraw/zinc/53/30/48/341533048.db2.gz KGMQBDNKFZVGEA-UHFFFAOYSA-N 0 3 306.406 3.814 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCOC1CCCC1)CCC2 ZINC000192768976 341886978 /nfs/dbraw/zinc/88/69/78/341886978.db2.gz LGYIHEAUQXWRCV-QGZVFWFLSA-N 0 3 304.390 3.521 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CNc1ccnc2ccccc21 ZINC000110253671 518162706 /nfs/dbraw/zinc/16/27/06/518162706.db2.gz NHKPAYPHTHCPGT-UHFFFAOYSA-N 0 3 309.325 3.764 20 5 DHBDHN CC[C@H](C)[C@@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043691 521819717 /nfs/dbraw/zinc/81/97/17/521819717.db2.gz GFJFGXIJEVAANL-NWDGAFQWSA-N 0 3 303.362 3.774 20 5 DHBDHN CN(CCCCC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000181515376 522726869 /nfs/dbraw/zinc/72/68/69/522726869.db2.gz BXVWGVYPISTYFX-UHFFFAOYSA-N 0 3 322.405 3.539 20 5 DHBDHN C[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846571 525381531 /nfs/dbraw/zinc/38/15/31/525381531.db2.gz IBAMTLMAERKERP-MEDUHNTESA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000157596618 525436133 /nfs/dbraw/zinc/43/61/33/525436133.db2.gz NJDOIPQYTAVFBG-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN Cc1c([C@@H](C)NCc2ccc([C@@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550106 525900425 /nfs/dbraw/zinc/90/04/25/525900425.db2.gz GDCQKYVVJQEOJL-ZIAGYGMSSA-N 0 3 314.385 3.807 20 5 DHBDHN Cc1cnc([C@H](C)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000186776431 526144845 /nfs/dbraw/zinc/14/48/45/526144845.db2.gz YVRLQFMHYFXDNM-PWSUYJOCSA-N 0 3 305.403 3.814 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000275910324 1014209601 /nfs/dbraw/zinc/20/96/01/1014209601.db2.gz XACAPSPVJROUKT-DYVFJYSZSA-N 0 3 304.390 3.547 20 5 DHBDHN CN(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000068838525 1014315368 /nfs/dbraw/zinc/31/53/68/1014315368.db2.gz RDBHMPMNSDCVEJ-CYBMUJFWSA-N 0 3 309.366 3.510 20 5 DHBDHN CN(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000068838524 1014316511 /nfs/dbraw/zinc/31/65/11/1014316511.db2.gz RDBHMPMNSDCVEJ-ZDUSSCGKSA-N 0 3 309.366 3.510 20 5 DHBDHN CC[C@@H](C)CN(CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177856464 1014434890 /nfs/dbraw/zinc/43/48/90/1014434890.db2.gz DYWOUPCXCMOYFJ-GFCCVEGCSA-N 0 3 318.377 3.513 20 5 DHBDHN CCc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000581201895 1014610924 /nfs/dbraw/zinc/61/09/24/1014610924.db2.gz YVVGICBWVVGSRM-HNNXBMFYSA-N 0 3 302.399 3.996 20 5 DHBDHN CC[C@@H]1[C@H](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644477 1015606365 /nfs/dbraw/zinc/60/63/65/1015606365.db2.gz VJKYQOQMLLSHCO-MLGOLLRUSA-N 0 3 315.373 3.870 20 5 DHBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1F)Oc1ccccc1 ZINC000478383231 1016686118 /nfs/dbraw/zinc/68/61/18/1016686118.db2.gz JQFLMTHJKAZOLE-UHFFFAOYSA-N 0 3 318.348 3.681 20 5 DHBDHN Cc1cccnc1CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000295010263 1032245215 /nfs/dbraw/zinc/24/52/15/1032245215.db2.gz MAOPVZTZWNWYOV-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN Cc1c2ccccc2n(C)c1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000475200674 1017079883 /nfs/dbraw/zinc/07/98/83/1017079883.db2.gz DPAWJMYUQWMABD-UHFFFAOYSA-N 0 3 323.396 3.993 20 5 DHBDHN CCOc1cc(CN2CCCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000348179374 1032490957 /nfs/dbraw/zinc/49/09/57/1032490957.db2.gz JMCDELCPXDFLRJ-UHFFFAOYSA-N 0 3 304.390 3.760 20 5 DHBDHN CCc1cnccc1[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389259 1012611972 /nfs/dbraw/zinc/61/19/72/1012611972.db2.gz SQDCPMVXYBDZQB-SJCJKPOMSA-N 0 3 311.385 3.890 20 5 DHBDHN C[C@@H](c1ccccc1F)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000515675386 1012692942 /nfs/dbraw/zinc/69/29/42/1012692942.db2.gz ZKRLGRQJUKRVHK-ZDUSSCGKSA-N 0 3 302.349 3.969 20 5 DHBDHN CCN(CCC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000760536049 1032685822 /nfs/dbraw/zinc/68/58/22/1032685822.db2.gz ACKZOXIQRZGWJS-UHFFFAOYSA-N 0 3 314.389 3.538 20 5 DHBDHN C[C@@H](COc1ccccc1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783600523 1017493019 /nfs/dbraw/zinc/49/30/19/1017493019.db2.gz DFGNZZRFRUFWON-LBPRGKRZSA-N 0 3 320.776 3.805 20 5 DHBDHN Cc1ccc(F)c(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000444745309 1017658017 /nfs/dbraw/zinc/65/80/17/1017658017.db2.gz QLROHNVJJJJHJN-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000613184936 1017971416 /nfs/dbraw/zinc/97/14/16/1017971416.db2.gz ZBACJVYBLUDEEV-OCCSQVGLSA-N 0 3 317.414 3.589 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457077 1018216338 /nfs/dbraw/zinc/21/63/38/1018216338.db2.gz JKLDAYVCOOLMTL-SJCJKPOMSA-N 0 3 318.348 3.772 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000526001434 1018436502 /nfs/dbraw/zinc/43/65/02/1018436502.db2.gz WVDIGYUPYUVGJX-CQSZACIVSA-N 0 3 300.333 3.723 20 5 DHBDHN CCC[C@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000705334379 1018648746 /nfs/dbraw/zinc/64/87/46/1018648746.db2.gz WTCWOHHHGWAIJH-CYBMUJFWSA-N 0 3 300.786 3.543 20 5 DHBDHN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC000921553423 1019050003 /nfs/dbraw/zinc/05/00/03/1019050003.db2.gz UCVWACVVXIWUQM-QWHCGFSZSA-N 0 3 312.369 3.769 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000611258705 1019425236 /nfs/dbraw/zinc/42/52/36/1019425236.db2.gz FCDJVOCWLZLWKW-AWEZNQCLSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079723880 1019766644 /nfs/dbraw/zinc/76/66/44/1019766644.db2.gz HTPOPFSBHVFRIE-AWEZNQCLSA-N 0 3 322.368 3.631 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](c1ccccn1)C1CC1 ZINC000922585519 1020143586 /nfs/dbraw/zinc/14/35/86/1020143586.db2.gz GHTRGRKKVSTJRR-LZCIBIBXSA-N 0 3 309.369 3.744 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](c1ccccn1)C1CC1 ZINC000922585524 1020143987 /nfs/dbraw/zinc/14/39/87/1020143987.db2.gz GHTRGRKKVSTJRR-YEODSOHDSA-N 0 3 309.369 3.744 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC2(F)F)c(Cl)c1 ZINC000390906307 1020234575 /nfs/dbraw/zinc/23/45/75/1020234575.db2.gz RWQQKNRBBKNJTE-JTQLQIEISA-N 0 3 304.724 3.773 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1 ZINC000364407290 1020449833 /nfs/dbraw/zinc/44/98/33/1020449833.db2.gz JKUASHXHBXLVAO-UHFFFAOYSA-N 0 3 324.380 3.616 20 5 DHBDHN C[C@@H]1C[C@H]1c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740461 1020854958 /nfs/dbraw/zinc/85/49/58/1020854958.db2.gz PJKPUUWVJXUHDI-CZUORRHYSA-N 0 3 314.385 3.986 20 5 DHBDHN CC1(C)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Br ZINC000310831754 1021038765 /nfs/dbraw/zinc/03/87/65/1021038765.db2.gz YZAUKNHYDADLNF-LBPRGKRZSA-N 0 3 313.195 3.636 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700797 1021147855 /nfs/dbraw/zinc/14/78/55/1021147855.db2.gz MBMRDASMYMHXLX-STQMWFEESA-N 0 3 322.405 3.674 20 5 DHBDHN C[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000850342359 1021481222 /nfs/dbraw/zinc/48/12/22/1021481222.db2.gz PZELFCJDNMWHAV-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN CO[C@@H](CNCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000850400916 1021509257 /nfs/dbraw/zinc/50/92/57/1021509257.db2.gz QKGJDILDAFRSJG-HNNXBMFYSA-N 0 3 312.797 3.543 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893179355 1022168337 /nfs/dbraw/zinc/16/83/37/1022168337.db2.gz PJXRIZJDGBHKSA-VIFPVBQESA-N 0 3 323.780 3.746 20 5 DHBDHN CN(CCCCC1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000282143266 1022279975 /nfs/dbraw/zinc/27/99/75/1022279975.db2.gz ZTLNLVKTFZPEPD-UHFFFAOYSA-N 0 3 306.406 3.624 20 5 DHBDHN C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc21 ZINC001169381817 1022379873 /nfs/dbraw/zinc/37/98/73/1022379873.db2.gz TXRBYKZHCVRUJU-BZNIZROVSA-N 0 3 309.369 3.858 20 5 DHBDHN CC[C@]1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000616487746 1022735227 /nfs/dbraw/zinc/73/52/27/1022735227.db2.gz XHWCKVPJZGJFAT-KRWDZBQOSA-N 0 3 316.357 3.514 20 5 DHBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1F ZINC000769029613 1023071375 /nfs/dbraw/zinc/07/13/75/1023071375.db2.gz LYDHWJSDCPBUGK-RMKNXTFCSA-N 0 3 314.360 3.922 20 5 DHBDHN Cc1ccc(CN(C)CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000769030581 1023072052 /nfs/dbraw/zinc/07/20/52/1023072052.db2.gz VUDBCXIIWLJNTD-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499519 1023895904 /nfs/dbraw/zinc/89/59/04/1023895904.db2.gz VNNZOXPYNZJBJM-SJKOYZFVSA-N 0 3 311.385 3.905 20 5 DHBDHN CC(C)[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788534635 1023908123 /nfs/dbraw/zinc/90/81/23/1023908123.db2.gz HMGTUTMKFZWOFC-HOTGVXAUSA-N 0 3 320.414 3.504 20 5 DHBDHN C[C@H](N[C@@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748746 1023934527 /nfs/dbraw/zinc/93/45/27/1023934527.db2.gz AFUBVUXQOFFCGE-IINYFYTJSA-N 0 3 317.414 3.967 20 5 DHBDHN C[C@H](N[C@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748745 1023934716 /nfs/dbraw/zinc/93/47/16/1023934716.db2.gz AFUBVUXQOFFCGE-HZMBPMFUSA-N 0 3 317.414 3.967 20 5 DHBDHN C[C@@H](CCOCc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000342249636 1024336018 /nfs/dbraw/zinc/33/60/18/1024336018.db2.gz PBSVTZWUZHQJJZ-ZDUSSCGKSA-N 0 3 320.414 3.741 20 5 DHBDHN COc1ccccc1CC(C)(C)NCc1csc([N+](=O)[O-])c1 ZINC000105495046 1024392195 /nfs/dbraw/zinc/39/21/95/1024392195.db2.gz UQCKDTVDOVREMS-UHFFFAOYSA-N 0 3 320.414 3.776 20 5 DHBDHN COc1c(C)cc(CNCc2cccc([N+](=O)[O-])c2C)cc1C ZINC000791000025 1024416540 /nfs/dbraw/zinc/41/65/40/1024416540.db2.gz RHXIRVUEUJSVLC-UHFFFAOYSA-N 0 3 314.385 3.818 20 5 DHBDHN Cc1ccc(CCCNCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000793009895 1024863059 /nfs/dbraw/zinc/86/30/59/1024863059.db2.gz NLRIWCILHOQHQH-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN Cc1c(CN[C@@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000353192299 1024979029 /nfs/dbraw/zinc/97/90/29/1024979029.db2.gz LLBRHXLODOAYDA-LBPRGKRZSA-N 0 3 310.357 3.630 20 5 DHBDHN CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000810043053 1026666493 /nfs/dbraw/zinc/66/64/93/1026666493.db2.gz FDPWXUBTRCXCAO-AWEZNQCLSA-N 0 3 310.369 3.513 20 5 DHBDHN CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000810043057 1026666667 /nfs/dbraw/zinc/66/66/67/1026666667.db2.gz FDPWXUBTRCXCAO-CQSZACIVSA-N 0 3 310.369 3.513 20 5 DHBDHN CCSCC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000168132382 1026812384 /nfs/dbraw/zinc/81/23/84/1026812384.db2.gz VSDLMDYPLVIAGT-SNVBAGLBSA-N 0 3 302.827 3.870 20 5 DHBDHN Cc1noc(CN2CCC[C@@H]2[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274827 1027439528 /nfs/dbraw/zinc/43/95/28/1027439528.db2.gz KQUFMIWVWIPPCU-SWLSCSKDSA-N 0 3 315.373 3.659 20 5 DHBDHN CC(COC(=O)c1cc(-c2ccccc2)ccc1Cl)[N+](=O)[O-] ZINC000813109129 1027534879 /nfs/dbraw/zinc/53/48/79/1027534879.db2.gz FVSLUGTUQLIUQD-LLVKDONJSA-N 0 3 319.744 3.829 20 5 DHBDHN CC(COC(=O)c1cc2sc3ccccc3c2s1)[N+](=O)[O-] ZINC000813108623 1027535618 /nfs/dbraw/zinc/53/56/18/1027535618.db2.gz INVYARRXJVXYLN-MRVPVSSYSA-N 0 3 321.379 3.938 20 5 DHBDHN Cc1ccc(-c2ccsc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108627 1027536040 /nfs/dbraw/zinc/53/60/40/1027536040.db2.gz ISIWUJGDSICDGY-LLVKDONJSA-N 0 3 305.355 3.546 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000934335924 1027970653 /nfs/dbraw/zinc/97/06/53/1027970653.db2.gz IAHMTCQSNRWURC-OLZOCXBDSA-N 0 3 317.414 3.677 20 5 DHBDHN C[C@H](NCc1cccc2c1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000601305428 1028072034 /nfs/dbraw/zinc/07/20/34/1028072034.db2.gz XRFYXPKZWHKNMY-ZDUSSCGKSA-N 0 3 312.369 3.518 20 5 DHBDHN C[C@@H](NC[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882196 1028541994 /nfs/dbraw/zinc/54/19/94/1028541994.db2.gz JKCXDEUZBCIXJZ-FZKQIMNGSA-N 0 3 312.369 3.559 20 5 DHBDHN C[C@@H](NC[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882195 1028542683 /nfs/dbraw/zinc/54/26/83/1028542683.db2.gz JKCXDEUZBCIXJZ-ACJLOTCBSA-N 0 3 312.369 3.559 20 5 DHBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815564998 1028546847 /nfs/dbraw/zinc/54/68/47/1028546847.db2.gz ZUAUFUITJSTCTH-MNOVXSKESA-N 0 3 305.403 3.959 20 5 DHBDHN CC[C@@H]1C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449487931 1028696568 /nfs/dbraw/zinc/69/65/68/1028696568.db2.gz ZOVILNYQQILDJP-YPMHNXCESA-N 0 3 317.414 3.854 20 5 DHBDHN CN1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000449646212 1028877935 /nfs/dbraw/zinc/87/79/35/1028877935.db2.gz BAFDOSVZUHLWKK-QGZVFWFLSA-N 0 3 311.385 3.656 20 5 DHBDHN C[C@H](Cc1cccc(O)c1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000449673283 1028899193 /nfs/dbraw/zinc/89/91/93/1028899193.db2.gz ZCWKVDXDAWFBSX-LLVKDONJSA-N 0 3 320.776 3.675 20 5 DHBDHN Cc1cnc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000374231263 1029248636 /nfs/dbraw/zinc/24/86/36/1029248636.db2.gz VGHIXKLONUKQBH-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN C[C@@H]1C[C@@H](C(F)(F)F)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412481 1029871146 /nfs/dbraw/zinc/87/11/46/1029871146.db2.gz WRDJUKOEVREVJV-YPMHNXCESA-N 0 3 316.323 3.800 20 5 DHBDHN Cc1noc(C)c1[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267034 1030190702 /nfs/dbraw/zinc/19/07/02/1030190702.db2.gz YPSIRSXLIMMHRL-VHSXEESVSA-N 0 3 321.352 3.621 20 5 DHBDHN CCO[C@@H]1C[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793192 1030193690 /nfs/dbraw/zinc/19/36/90/1030193690.db2.gz GRJAFCZXXGBMFT-IAGOWNOFSA-N 0 3 318.417 3.683 20 5 DHBDHN Cc1ccc(CN[C@@H]2CCCNc3ccccc32)cc1[N+](=O)[O-] ZINC000866539554 1030359914 /nfs/dbraw/zinc/35/99/14/1030359914.db2.gz CUOHUOCPMQBGHL-QGZVFWFLSA-N 0 3 311.385 3.940 20 5 DHBDHN Cc1c([C@@H](C)NCc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358301450 1030429870 /nfs/dbraw/zinc/42/98/70/1030429870.db2.gz PQQDOMTXPKDKLS-CYBMUJFWSA-N 0 3 312.369 3.784 20 5 DHBDHN CCC[C@@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021264 1031036739 /nfs/dbraw/zinc/03/67/39/1031036739.db2.gz MLNBNSKWWKEWEU-DGCLKSJQSA-N 0 3 312.435 3.518 20 5 DHBDHN Cc1ccc([C@@H](C)NC2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160543 1031124548 /nfs/dbraw/zinc/12/45/48/1031124548.db2.gz CRPIHKYHLHWGMB-CJNGLKHVSA-N 0 3 304.390 3.656 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000536696464 1031400781 /nfs/dbraw/zinc/40/07/81/1031400781.db2.gz WZGXBKCQQYYHKI-FKQXODTLSA-N 0 3 318.442 3.968 20 5 DHBDHN CC(C)[C@@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048050 1031436086 /nfs/dbraw/zinc/43/60/86/1031436086.db2.gz WVSHZUBAIQUXIB-ZOWXZIJZSA-N 0 3 310.369 3.588 20 5 DHBDHN C[C@@H](NCC[C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060603 1031454742 /nfs/dbraw/zinc/45/47/42/1031454742.db2.gz RWOGTIVXIKRODU-JHJVBQTASA-N 0 3 310.369 3.590 20 5 DHBDHN Cc1csc([C@H](C)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062423 1031456474 /nfs/dbraw/zinc/45/64/74/1031456474.db2.gz MQJCVXCRPDHVFX-KOLCDFICSA-N 0 3 323.393 3.953 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CO)CC1CCC1 ZINC000872070257 1031464964 /nfs/dbraw/zinc/46/49/64/1031464964.db2.gz YHDQOXRVCLZGLE-YPMHNXCESA-N 0 3 324.446 3.518 20 5 DHBDHN C[C@H](NCCC1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075435 1031471645 /nfs/dbraw/zinc/47/16/45/1031471645.db2.gz ATXXKSRTTUIAQY-VIFPVBQESA-N 0 3 302.296 3.820 20 5 DHBDHN CC(C)[C@@H]1C[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076882 1031474772 /nfs/dbraw/zinc/47/47/72/1031474772.db2.gz UTWYALJNLWPLGC-XEZPLFJOSA-N 0 3 324.396 3.836 20 5 DHBDHN C[C@@H](NCC(C)(C)c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078900 1031474819 /nfs/dbraw/zinc/47/48/19/1031474819.db2.gz DSVPJDRCSBZRAI-GFCCVEGCSA-N 0 3 317.364 3.757 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872086376 1031483772 /nfs/dbraw/zinc/48/37/72/1031483772.db2.gz WEKUHOGWEPXYHU-RYUDHWBXSA-N 0 3 303.337 3.583 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872260178 1031564254 /nfs/dbraw/zinc/56/42/54/1031564254.db2.gz KLKHDAYUZDWAIS-QGZVFWFLSA-N 0 3 304.390 3.518 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc([C@@H](C)O)cc1 ZINC000873020754 1031693580 /nfs/dbraw/zinc/69/35/80/1031693580.db2.gz CESYULXGPJYBTC-CQSZACIVSA-N 0 3 314.385 3.555 20 5 DHBDHN CC([C@H](OC(=O)CCC(C)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845872983 1031747245 /nfs/dbraw/zinc/74/72/45/1031747245.db2.gz AMFOPESILWTULJ-ZANVPECISA-N 0 3 319.279 3.511 20 5 DHBDHN CC([C@@H](OC(=O)CCC(C)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845872980 1031747846 /nfs/dbraw/zinc/74/78/46/1031747846.db2.gz AMFOPESILWTULJ-TVQRCGJNSA-N 0 3 319.279 3.511 20 5 DHBDHN CC([C@@H](OC(=O)CC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845872363 1031748055 /nfs/dbraw/zinc/74/80/55/1031748055.db2.gz HNROVUWPWFLXNW-BDJLRTHQSA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@H](OC(=O)CCC(C)(F)F)c1ccccc1F)[N+](=O)[O-] ZINC000845872978 1031748452 /nfs/dbraw/zinc/74/84/52/1031748452.db2.gz AMFOPESILWTULJ-RNCFNFMXSA-N 0 3 319.279 3.511 20 5 DHBDHN CCC[C@@H](NCc1cc(N)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000873287551 1031787869 /nfs/dbraw/zinc/78/78/69/1031787869.db2.gz GBWXIERNZUBPJU-QGZVFWFLSA-N 0 3 317.364 3.947 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](c1ccncc1)C1CC1 ZINC000898321590 1032019131 /nfs/dbraw/zinc/01/91/31/1032019131.db2.gz SWTNKFXFNVAEIT-AEFFLSMTSA-N 0 3 309.369 3.718 20 5 DHBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000539286195 1033314861 /nfs/dbraw/zinc/31/48/61/1033314861.db2.gz FPWYPRPYOVORFB-LLVKDONJSA-N 0 3 322.311 3.603 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(c2ccon2)CC1 ZINC000877638418 1033393906 /nfs/dbraw/zinc/39/39/06/1033393906.db2.gz FSJGNLMRNAADIY-UHFFFAOYSA-N 0 3 315.373 3.579 20 5 DHBDHN C[C@@H](N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902071 1033438156 /nfs/dbraw/zinc/43/81/56/1033438156.db2.gz UTYHRAKCWRAWGQ-RISCZKNCSA-N 0 3 317.414 3.650 20 5 DHBDHN Cc1csc([C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000877814850 1033465284 /nfs/dbraw/zinc/46/52/84/1033465284.db2.gz YPBDCWQLVCPNJJ-CQSZACIVSA-N 0 3 317.414 3.658 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](C)[C@@H]2C)c1F ZINC001173190929 1033584868 /nfs/dbraw/zinc/58/48/68/1033584868.db2.gz XRAHTWCNTUHFJO-AVGNSLFASA-N 0 3 324.396 3.794 20 5 DHBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)cccc1F ZINC001173217304 1033597534 /nfs/dbraw/zinc/59/75/34/1033597534.db2.gz SFLRLCGTRFSWBD-NSHDSACASA-N 0 3 306.312 3.594 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1F ZINC001173227226 1033606146 /nfs/dbraw/zinc/60/61/46/1033606146.db2.gz OQOCDWGBYDQYMG-CYBMUJFWSA-N 0 3 302.349 3.797 20 5 DHBDHN Cc1csc([C@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010432 1034183823 /nfs/dbraw/zinc/18/38/23/1034183823.db2.gz UEKLCQWLWFWZRN-OCCSQVGLSA-N 0 3 317.414 3.910 20 5 DHBDHN CC[C@@H](NCc1ccc([C@@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552872 1034245186 /nfs/dbraw/zinc/24/51/86/1034245186.db2.gz PLCNNOUKTZQECX-FZKQIMNGSA-N 0 3 314.385 3.889 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC2(CCCCO2)CC1 ZINC000880453767 1034336194 /nfs/dbraw/zinc/33/61/94/1034336194.db2.gz RAOQQXFGIOCCPQ-AWEZNQCLSA-N 0 3 304.390 3.691 20 5 DHBDHN CCN(CC1CCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000794682614 1034342071 /nfs/dbraw/zinc/34/20/71/1034342071.db2.gz IMJNZNMQWKLNPN-UHFFFAOYSA-N 0 3 322.796 3.677 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667065 1034378300 /nfs/dbraw/zinc/37/83/00/1034378300.db2.gz QVDVADOSLSCJNQ-NXEZZACHSA-N 0 3 320.311 3.843 20 5 DHBDHN C[C@@H](CN1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000555422292 1034689954 /nfs/dbraw/zinc/68/99/54/1034689954.db2.gz SDYZMKQGHRNBGP-ZDUSSCGKSA-N 0 3 303.406 3.564 20 5 DHBDHN O=[N+]([O-])c1ccc(CCCCNCc2cnc(C3CC3)o2)cc1 ZINC000600136948 1034760705 /nfs/dbraw/zinc/76/07/05/1034760705.db2.gz GWGSUHLIGNTBLT-UHFFFAOYSA-N 0 3 315.373 3.573 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCO[C@H](C(C)C)C1 ZINC000555794054 1034905224 /nfs/dbraw/zinc/90/52/24/1034905224.db2.gz QVVJIILTNXTOCL-PBHICJAKSA-N 0 3 306.406 3.711 20 5 DHBDHN CC(C)[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535560997 1035687503 /nfs/dbraw/zinc/68/75/03/1035687503.db2.gz XDQVQLDQKGKLBN-MRXNPFEDSA-N 0 3 315.373 3.870 20 5 DHBDHN C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089888653 1035763929 /nfs/dbraw/zinc/76/39/29/1035763929.db2.gz YDCHOYQJCZRFFA-ZDUSSCGKSA-N 0 3 315.373 3.872 20 5 DHBDHN CC[C@@H](C)CN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897264 1035768257 /nfs/dbraw/zinc/76/82/57/1035768257.db2.gz UTLCKQJMSNCRBJ-GFCCVEGCSA-N 0 3 303.362 3.728 20 5 DHBDHN CCCCO[C@@H]1C[C@@H](NCc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194191562 1035868149 /nfs/dbraw/zinc/86/81/49/1035868149.db2.gz MXWIPGOONZEGEQ-HZPDHXFCSA-N 0 3 324.396 3.807 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1C(C)(C)C1(F)F ZINC000595095270 1035926241 /nfs/dbraw/zinc/92/62/41/1035926241.db2.gz VITPTGGTHATUSV-NOZJJQNGSA-N 0 3 314.332 3.545 20 5 DHBDHN C[C@H](COCC1CCCCC1)NCc1ccccc1[N+](=O)[O-] ZINC001198000821 1036923102 /nfs/dbraw/zinc/92/31/02/1036923102.db2.gz KASGFFHCSMZOPF-CQSZACIVSA-N 0 3 306.406 3.670 20 5 DHBDHN Cc1cc(NC[C@@H]2N(C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001186368109 1037374036 /nfs/dbraw/zinc/37/40/36/1037374036.db2.gz MOGTUWJHGGLFSB-HNNXBMFYSA-N 0 3 309.385 3.575 20 5 DHBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2ccccc2C1 ZINC000490400244 1037706599 /nfs/dbraw/zinc/70/65/99/1037706599.db2.gz LZADOAJVEZRIQK-MRXNPFEDSA-N 0 3 314.360 3.723 20 5 DHBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000603854127 1039188820 /nfs/dbraw/zinc/18/88/20/1039188820.db2.gz QZMXGYFISWVGPW-RYUDHWBXSA-N 0 3 311.813 3.923 20 5 DHBDHN Cc1c(CN2CCC[C@@H]2c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000604484503 1039481256 /nfs/dbraw/zinc/48/12/56/1039481256.db2.gz YYHSXROKWLIIET-GOSISDBHSA-N 0 3 312.369 3.946 20 5 DHBDHN COCc1csc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594726625 1039900538 /nfs/dbraw/zinc/90/05/38/1039900538.db2.gz MVKMXRCWDUPPGO-NSHDSACASA-N 0 3 306.387 3.654 20 5 DHBDHN CCO[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000594969887 1039948050 /nfs/dbraw/zinc/94/80/50/1039948050.db2.gz SDJHQQXEOKFGJV-SAZUREKKSA-N 0 3 316.357 3.512 20 5 DHBDHN CC(C)[C@@H](CC(F)(F)F)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595446960 1040142442 /nfs/dbraw/zinc/14/24/42/1040142442.db2.gz FNVNGYBRUQXHDT-LLVKDONJSA-N 0 3 308.275 3.801 20 5 DHBDHN CO[C@@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595512877 1040158602 /nfs/dbraw/zinc/15/86/02/1040158602.db2.gz XHNVTQXFAAFTDQ-INIZCTEOSA-N 0 3 306.406 3.625 20 5 DHBDHN Cc1c(CN2CCC([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595789220 1040255662 /nfs/dbraw/zinc/25/56/62/1040255662.db2.gz PKCMVVVTWPZONM-SFHVURJKSA-N 0 3 318.417 3.684 20 5 DHBDHN CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC=CC1 ZINC000594508937 1040874966 /nfs/dbraw/zinc/87/49/66/1040874966.db2.gz FBIDWJXNKWSECT-UHFFFAOYSA-N 0 3 315.398 3.917 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CCCS1 ZINC000602570894 1041102933 /nfs/dbraw/zinc/10/29/33/1041102933.db2.gz XWSGDQHIEQIYSW-NSHDSACASA-N 0 3 320.336 3.599 20 5 DHBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCC(F)(F)C1 ZINC000602578153 1041110939 /nfs/dbraw/zinc/11/09/39/1041110939.db2.gz WAIDDFXXEITAAC-SNVBAGLBSA-N 0 3 324.249 3.891 20 5 DHBDHN CC(C)c1csc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602575862 1041111437 /nfs/dbraw/zinc/11/14/37/1041111437.db2.gz JNSTYNZARKEQCR-UHFFFAOYSA-N 0 3 305.403 3.507 20 5 DHBDHN Cc1nn(CN(C)[C@H](C)C(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761279213 1041275412 /nfs/dbraw/zinc/27/54/12/1041275412.db2.gz IHDVEMAVWGVTLA-GFCCVEGCSA-N 0 3 304.394 3.577 20 5 DHBDHN CC(C)(O)C(C)(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289305895 535273661 /nfs/dbraw/zinc/27/36/61/535273661.db2.gz DIBCFYANLKDXMJ-UHFFFAOYSA-N 0 3 321.204 3.541 20 5 DHBDHN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000272628150 130048278 /nfs/dbraw/zinc/04/82/78/130048278.db2.gz MSFIFXIZIMZJAU-JTQLQIEISA-N 0 3 323.755 3.676 20 5 DHBDHN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cncs1 ZINC000272644895 130050210 /nfs/dbraw/zinc/05/02/10/130050210.db2.gz OWJATICWWRYUJN-SECBINFHSA-N 0 3 311.794 3.598 20 5 DHBDHN Cc1cc(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000272954728 130077712 /nfs/dbraw/zinc/07/77/12/130077712.db2.gz MXEALHPOWAOGCV-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN Cc1cc(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000272954728 130077716 /nfs/dbraw/zinc/07/77/16/130077716.db2.gz MXEALHPOWAOGCV-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN COc1ccsc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000274578838 130247273 /nfs/dbraw/zinc/24/72/73/130247273.db2.gz KOSLMFFQLIDSOB-NSHDSACASA-N 0 3 306.387 3.558 20 5 DHBDHN COc1cccc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076723 131045981 /nfs/dbraw/zinc/04/59/81/131045981.db2.gz LPYQCJGPMFMGBL-NEPJUHHUSA-N 0 3 315.373 3.597 20 5 DHBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000286985679 131258741 /nfs/dbraw/zinc/25/87/41/131258741.db2.gz OYXGSMGPJLSYON-UHFFFAOYSA-N 0 3 302.296 3.744 20 5 DHBDHN CCOC1(C)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000298254953 132053053 /nfs/dbraw/zinc/05/30/53/132053053.db2.gz LIZGCABXZCRWJO-CQSZACIVSA-N 0 3 306.406 3.855 20 5 DHBDHN COCc1ccccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119574229 132134319 /nfs/dbraw/zinc/13/43/19/132134319.db2.gz HFKCHEFMSADQQM-AWEZNQCLSA-N 0 3 314.385 3.900 20 5 DHBDHN CC1(C)C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000119797083 132137276 /nfs/dbraw/zinc/13/72/76/132137276.db2.gz IIGPWFXWAATQNO-CYBMUJFWSA-N 0 3 312.797 3.684 20 5 DHBDHN C[C@@H](NCc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128924603 332015858 /nfs/dbraw/zinc/01/58/58/332015858.db2.gz QJJDFZBDJBRXJK-CQSZACIVSA-N 0 3 322.368 3.631 20 5 DHBDHN COc1cc(CNC(C)(C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000559326231 332025852 /nfs/dbraw/zinc/02/58/52/332025852.db2.gz JJSRHJXHGSAKKK-UHFFFAOYSA-N 0 3 314.385 3.937 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCc2cc(F)ccc21 ZINC000584302235 332230460 /nfs/dbraw/zinc/23/04/60/332230460.db2.gz XDKTZIBBLGFRHX-SJORKVTESA-N 0 3 312.344 3.998 20 5 DHBDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000151030298 332484123 /nfs/dbraw/zinc/48/41/23/332484123.db2.gz QZSCZBLISMPRMM-APPDUMDISA-N 0 3 300.333 3.757 20 5 DHBDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000151030410 332484138 /nfs/dbraw/zinc/48/41/38/332484138.db2.gz QZSCZBLISMPRMM-GTNSWQLSSA-N 0 3 300.333 3.757 20 5 DHBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCc2ccco2)o1 ZINC000518771859 333082083 /nfs/dbraw/zinc/08/20/83/333082083.db2.gz KZQXWNQQJMFTQW-UHFFFAOYSA-N 0 3 312.325 3.780 20 5 DHBDHN Cc1cnc(CCN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182933512 333181496 /nfs/dbraw/zinc/18/14/96/333181496.db2.gz DEZQIHLSYKEGRZ-CYBMUJFWSA-N 0 3 319.430 3.904 20 5 DHBDHN Cc1ccc(OCCNCc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000518780860 333183783 /nfs/dbraw/zinc/18/37/83/333183783.db2.gz CZKWPUJBHAVPKQ-UHFFFAOYSA-N 0 3 314.385 3.689 20 5 DHBDHN CCC[C@H](NC[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086874 333254898 /nfs/dbraw/zinc/25/48/98/333254898.db2.gz QHMXZUMZJVICBJ-HOTGVXAUSA-N 0 3 308.422 3.823 20 5 DHBDHN CSCCCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000185164360 333369203 /nfs/dbraw/zinc/36/92/03/333369203.db2.gz OUBLTLUOTPOPIF-UHFFFAOYSA-N 0 3 302.827 3.871 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCCNc1ccccc1 ZINC000563416827 333602532 /nfs/dbraw/zinc/60/25/32/333602532.db2.gz KBVBYIVSZKRZJU-KRWDZBQOSA-N 0 3 311.385 3.674 20 5 DHBDHN CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(O)CCCC1 ZINC000563418566 333603032 /nfs/dbraw/zinc/60/30/32/333603032.db2.gz POCDWEGNNTZYTI-OAHLLOKOSA-N 0 3 318.417 3.503 20 5 DHBDHN C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1 ZINC000414495998 333997258 /nfs/dbraw/zinc/99/72/58/333997258.db2.gz CNJVEIRBADLULH-AAEUAGOBSA-N 0 3 318.398 3.838 20 5 DHBDHN C[C@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1 ZINC000414499521 333998608 /nfs/dbraw/zinc/99/86/08/333998608.db2.gz KFZSVAPJIFALTO-WCQYABFASA-N 0 3 318.398 3.838 20 5 DHBDHN COc1cccc([C@@H]2C[C@H]2CNCc2csc([N+](=O)[O-])c2)c1 ZINC000414560665 334019464 /nfs/dbraw/zinc/01/94/64/334019464.db2.gz XJQQMHMXTMSVSN-ZFWWWQNUSA-N 0 3 318.398 3.558 20 5 DHBDHN CC(C)c1ccc(CN[C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414586704 334028992 /nfs/dbraw/zinc/02/89/92/334028992.db2.gz PHFJMJCTOXEAAC-HUUCEWRRSA-N 0 3 300.358 3.957 20 5 DHBDHN Cc1c([C@H](C)NCCc2ccccc2[N+](=O)[O-])cnn1C(C)C ZINC000276428222 334077887 /nfs/dbraw/zinc/07/78/87/334077887.db2.gz WRBPTGBKFNUOSK-ZDUSSCGKSA-N 0 3 316.405 3.574 20 5 DHBDHN Cc1c([C@@H](C)NCCc2ccccc2[N+](=O)[O-])cnn1C(C)C ZINC000276428218 334077946 /nfs/dbraw/zinc/07/79/46/334077946.db2.gz WRBPTGBKFNUOSK-CYBMUJFWSA-N 0 3 316.405 3.574 20 5 DHBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC(F)(F)C1 ZINC000532016019 334372224 /nfs/dbraw/zinc/37/22/24/334372224.db2.gz WQHYGMIWMHPLKA-GFCCVEGCSA-N 0 3 314.332 3.661 20 5 DHBDHN CCCC[C@H]1CCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677764 338481683 /nfs/dbraw/zinc/48/16/83/338481683.db2.gz UWJGQWICKBFLMV-GXTWGEPZSA-N 0 3 316.405 3.920 20 5 DHBDHN CCO[C@H]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244631 335628978 /nfs/dbraw/zinc/62/89/78/335628978.db2.gz NITMPUDKPHPKAQ-RCBQFDQVSA-N 0 3 304.390 3.593 20 5 DHBDHN C[C@@H](NCCOC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532225671 335920592 /nfs/dbraw/zinc/92/05/92/335920592.db2.gz UXWYWVPUWPYOFS-CQSZACIVSA-N 0 3 306.406 3.985 20 5 DHBDHN C[C@@H]1C[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645788 336143347 /nfs/dbraw/zinc/14/33/47/336143347.db2.gz UMZIWPNQKCRHAV-ZETOZRRWSA-N 0 3 306.431 3.801 20 5 DHBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540041 336223379 /nfs/dbraw/zinc/22/33/79/336223379.db2.gz GMMBQHHVSVAOKB-UONOGXRCSA-N 0 3 324.446 3.709 20 5 DHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000301112675 336290644 /nfs/dbraw/zinc/29/06/44/336290644.db2.gz ZKIBQJPAJOSBRI-INIZCTEOSA-N 0 3 321.327 3.588 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c1 ZINC000301820321 336332256 /nfs/dbraw/zinc/33/22/56/336332256.db2.gz AZOGLEDBFXYNEN-CRAIPNDOSA-N 0 3 311.385 3.761 20 5 DHBDHN Cc1cccc(NC[C@@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000302513503 336360496 /nfs/dbraw/zinc/36/04/96/336360496.db2.gz UHYHMQGWNQGQCA-HNNXBMFYSA-N 0 3 315.373 3.745 20 5 DHBDHN CC[C@H](NCC(CC)(CC)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000354985933 336490324 /nfs/dbraw/zinc/49/03/24/336490324.db2.gz VDQJBUHANVIAPX-HNNXBMFYSA-N 0 3 322.405 3.615 20 5 DHBDHN CO[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000582431075 336974957 /nfs/dbraw/zinc/97/49/57/336974957.db2.gz RJPRAISWPHVUEQ-AEFFLSMTSA-N 0 3 312.369 3.559 20 5 DHBDHN C[C@@H](NCC1(c2ccccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000376124919 337027709 /nfs/dbraw/zinc/02/77/09/337027709.db2.gz ABIGMAADEKAUNL-CQSZACIVSA-N 0 3 311.385 3.762 20 5 DHBDHN CCc1cnc(CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000178660109 337165818 /nfs/dbraw/zinc/16/58/18/337165818.db2.gz PFXJHGUSPMVJCC-NSHDSACASA-N 0 3 305.403 3.507 20 5 DHBDHN Cc1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000321109225 337198751 /nfs/dbraw/zinc/19/87/51/337198751.db2.gz BAWNKVDWQMLWCJ-CYBMUJFWSA-N 0 3 318.348 3.772 20 5 DHBDHN C[C@@H](CN(C)C)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584621211 337374798 /nfs/dbraw/zinc/37/47/98/337374798.db2.gz QYWHKEXYAGTIGF-ZDUSSCGKSA-N 0 3 300.358 3.591 20 5 DHBDHN C[C@H](NCc1cccc2c1CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423417429 337716607 /nfs/dbraw/zinc/71/66/07/337716607.db2.gz SJBXGFGBKOVDAG-ZDUSSCGKSA-N 0 3 311.385 3.804 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305115 337929964 /nfs/dbraw/zinc/92/99/64/337929964.db2.gz CIUXWEOLPZLOHO-IAOVAPTHSA-N 0 3 318.417 3.983 20 5 DHBDHN COc1cccc(F)c1[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123194961 337957686 /nfs/dbraw/zinc/95/76/86/337957686.db2.gz FCLNHKANBNOJFH-GFCCVEGCSA-N 0 3 318.348 3.636 20 5 DHBDHN CCc1cnccc1[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389258 337987673 /nfs/dbraw/zinc/98/76/73/337987673.db2.gz SQDCPMVXYBDZQB-PXAZEXFGSA-N 0 3 311.385 3.890 20 5 DHBDHN CN(CCNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429263149 338075239 /nfs/dbraw/zinc/07/52/39/338075239.db2.gz LCYDARZQPZDXMV-UHFFFAOYSA-N 0 3 313.401 3.556 20 5 DHBDHN Cc1ccc(CCCNC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000430119271 338097742 /nfs/dbraw/zinc/09/77/42/338097742.db2.gz IKBCLGPAXMDFOS-UHFFFAOYSA-N 0 3 313.401 3.756 20 5 DHBDHN CC(C)(C)OC1CC(CCNCc2ccccc2[N+](=O)[O-])C1 ZINC000432242632 338150107 /nfs/dbraw/zinc/15/01/07/338150107.db2.gz MOLSOVSEEMOBBS-UHFFFAOYSA-N 0 3 306.406 3.668 20 5 DHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nccs1 ZINC000153438511 338224562 /nfs/dbraw/zinc/22/45/62/338224562.db2.gz VWLIFPOPPGQAAW-RYUDHWBXSA-N 0 3 305.403 3.723 20 5 DHBDHN C[C@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403100 338270974 /nfs/dbraw/zinc/27/09/74/338270974.db2.gz FZIZHVZGRBONQR-WCQYABFASA-N 0 3 317.414 3.997 20 5 DHBDHN Cc1ccc(CN[C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438482111 338345444 /nfs/dbraw/zinc/34/54/44/338345444.db2.gz KCZQJVVEPHBWTN-LBPRGKRZSA-N 0 3 304.312 3.970 20 5 DHBDHN C[C@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786112 339048521 /nfs/dbraw/zinc/04/85/21/339048521.db2.gz BBSVJXBEKNQNPX-OLZOCXBDSA-N 0 3 322.405 3.565 20 5 DHBDHN CCC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000459815352 339049700 /nfs/dbraw/zinc/04/97/00/339049700.db2.gz YFXIOVJDXMOZBE-CYBMUJFWSA-N 0 3 302.378 3.530 20 5 DHBDHN COc1cc(C[NH2+]CCCCC2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000462745696 339086592 /nfs/dbraw/zinc/08/65/92/339086592.db2.gz LXDWZZXSYQAIIA-UHFFFAOYSA-N 0 3 322.405 3.759 20 5 DHBDHN COc1cc(CN(C)C2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000463469547 339118941 /nfs/dbraw/zinc/11/89/41/339118941.db2.gz LJODAOPXCASGNP-UHFFFAOYSA-N 0 3 310.369 3.897 20 5 DHBDHN COc1cc(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464499010 339143664 /nfs/dbraw/zinc/14/36/64/339143664.db2.gz LRNNUIQHHPLEFE-LNSITVRQSA-N 0 3 322.380 3.753 20 5 DHBDHN CC[C@@H]1C[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445793 339205245 /nfs/dbraw/zinc/20/52/45/339205245.db2.gz JYHLMSUUMPDCPT-BXUZGUMPSA-N 0 3 312.797 3.543 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cccc2cc[nH]c21 ZINC000466918221 339221397 /nfs/dbraw/zinc/22/13/97/339221397.db2.gz XCKLTTRRFNCZSV-XBXARRHUSA-N 0 3 307.353 3.879 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(F)cc1 ZINC000468636056 339267656 /nfs/dbraw/zinc/26/76/56/339267656.db2.gz WONQNQFVNPJRIQ-UKTHLTGXSA-N 0 3 300.333 3.927 20 5 DHBDHN CCN(CC)CCSc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473524542 339386855 /nfs/dbraw/zinc/38/68/55/339386855.db2.gz UYIKAOKGESVRCZ-UHFFFAOYSA-N 0 3 305.403 3.577 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2(Cc3ccccc3)CCC2)c(F)c1 ZINC000478223789 339510804 /nfs/dbraw/zinc/51/08/04/339510804.db2.gz GGEUZWLKDXQGKO-UHFFFAOYSA-N 0 3 314.360 3.989 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714623 339672449 /nfs/dbraw/zinc/67/24/49/339672449.db2.gz PINVVOZZNKECJY-XOKHGSTOSA-N 0 3 318.417 3.902 20 5 DHBDHN CO[C@]1(C)C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873024 339677578 /nfs/dbraw/zinc/67/75/78/339677578.db2.gz SZHFRKGJWDBJTM-YLQAJVPDSA-N 0 3 306.406 3.757 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000500449826 340059040 /nfs/dbraw/zinc/05/90/40/340059040.db2.gz BZSXJSHZWOFQLN-JTQLQIEISA-N 0 3 302.296 3.649 20 5 DHBDHN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000502559023 340107757 /nfs/dbraw/zinc/10/77/57/340107757.db2.gz LNFWKOPQYSGIJM-ZLKJLUDKSA-N 0 3 314.332 3.796 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503911331 340136544 /nfs/dbraw/zinc/13/65/44/340136544.db2.gz PFLSSBQWEOICBC-MPKXVKKWSA-N 0 3 314.332 3.714 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ccc(Cl)o3)c2c1 ZINC000516599050 340174208 /nfs/dbraw/zinc/17/42/08/340174208.db2.gz TXWXOXUACZFDND-UHFFFAOYSA-N 0 3 319.748 3.655 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(CCc2cccc(F)c2)C2CC2)cc1 ZINC000506468467 340195155 /nfs/dbraw/zinc/19/51/55/340195155.db2.gz DMMIJKWVCURDSO-UHFFFAOYSA-N 0 3 314.360 3.941 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000162956258 340195534 /nfs/dbraw/zinc/19/55/34/340195534.db2.gz GZZYOHSDJGZNKE-ZENOOKHLSA-N 0 3 312.369 3.810 20 5 DHBDHN Cc1ccc(OCCCNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000507952095 340236404 /nfs/dbraw/zinc/23/64/04/340236404.db2.gz SGTUVSCYHIMJIU-UHFFFAOYSA-N 0 3 314.385 3.770 20 5 DHBDHN CC(C)c1ccc(CN[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000509446198 340269835 /nfs/dbraw/zinc/26/98/35/340269835.db2.gz GUIUPVSSVGDTTK-INIZCTEOSA-N 0 3 320.433 3.749 20 5 DHBDHN CCCC[C@H](CC)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000509604104 340274531 /nfs/dbraw/zinc/27/45/31/340274531.db2.gz UOSMNEVNRHKMAT-LBPRGKRZSA-N 0 3 310.394 3.615 20 5 DHBDHN O=[N+]([O-])c1ccccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000302862707 340284697 /nfs/dbraw/zinc/28/46/97/340284697.db2.gz SGWIYRSFEUFQPU-INIZCTEOSA-N 0 3 311.385 3.671 20 5 DHBDHN C[C@@H]1CSC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868751 340381762 /nfs/dbraw/zinc/38/17/62/340381762.db2.gz HXGOHNIDXPCUNS-RISCZKNCSA-N 0 3 318.398 3.696 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000539059373 340869217 /nfs/dbraw/zinc/86/92/17/340869217.db2.gz BVEIGBVUGGDZOS-CYBMUJFWSA-N 0 3 312.369 3.784 20 5 DHBDHN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000539060879 340869364 /nfs/dbraw/zinc/86/93/64/340869364.db2.gz JYIMVEMOEKFBHW-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000539070546 340870397 /nfs/dbraw/zinc/87/03/97/340870397.db2.gz MZMNNSDSWANGET-NSHDSACASA-N 0 3 322.311 3.603 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCSCC(F)(F)F ZINC000540161899 340919247 /nfs/dbraw/zinc/91/92/47/340919247.db2.gz BACAVSMZUDOKTL-JTQLQIEISA-N 0 3 322.352 3.849 20 5 DHBDHN Cc1ccc(OCCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540173480 340920562 /nfs/dbraw/zinc/92/05/62/340920562.db2.gz GLQFSJWIQKDSED-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN Cc1ccccc1OCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540189546 340922399 /nfs/dbraw/zinc/92/23/99/340922399.db2.gz BADMTGCGUMVNOK-OAHLLOKOSA-N 0 3 314.385 3.941 20 5 DHBDHN CC1(C)C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)O1 ZINC000542485065 341009628 /nfs/dbraw/zinc/00/96/28/341009628.db2.gz HOFSBPZENCDOBT-ZDUSSCGKSA-N 0 3 312.797 3.684 20 5 DHBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185322 341073387 /nfs/dbraw/zinc/07/33/87/341073387.db2.gz ZTFGACNQUGYVOF-YVEFUNNKSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1[nH]c2ccccc2c1CCNCc1ccccc1[N+](=O)[O-] ZINC000237716490 341218758 /nfs/dbraw/zinc/21/87/58/341218758.db2.gz QXEBIXWJSYROOZ-UHFFFAOYSA-N 0 3 309.369 3.717 20 5 DHBDHN CCc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000549808073 341303572 /nfs/dbraw/zinc/30/35/72/341303572.db2.gz IITYFJUVKMDODD-UHFFFAOYSA-N 0 3 304.415 3.893 20 5 DHBDHN COCc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266217863 341586817 /nfs/dbraw/zinc/58/68/17/341586817.db2.gz QKHTVTRAEZZQGQ-CYBMUJFWSA-N 0 3 300.358 3.592 20 5 DHBDHN CC1(C)C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C(C)(C)O1 ZINC000567367189 341599056 /nfs/dbraw/zinc/59/90/56/341599056.db2.gz XPIRFORXKPFOJG-UKRRQHHQSA-N 0 3 304.390 3.518 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOC1CCCC1)CCC2 ZINC000192768995 341887050 /nfs/dbraw/zinc/88/70/50/341887050.db2.gz LGYIHEAUQXWRCV-KRWDZBQOSA-N 0 3 304.390 3.521 20 5 DHBDHN CCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000267398070 521006566 /nfs/dbraw/zinc/00/65/66/521006566.db2.gz FINHXNLJGSOLSV-ZDUSSCGKSA-N 0 3 300.358 3.844 20 5 DHBDHN CCC[C@H](NCCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000156012351 521158648 /nfs/dbraw/zinc/15/86/48/521158648.db2.gz UPXOHHXOUBGFSL-KRWDZBQOSA-N 0 3 317.389 3.873 20 5 DHBDHN COc1cc(CNC[C@@H]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000339577821 522459678 /nfs/dbraw/zinc/45/96/78/522459678.db2.gz RNIZCPWLKXSYEL-ZDUSSCGKSA-N 0 3 322.405 3.528 20 5 DHBDHN CSC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000227993125 525340619 /nfs/dbraw/zinc/34/06/19/525340619.db2.gz OUPKJMCOSNGTMV-UHFFFAOYSA-N 0 3 303.387 3.759 20 5 DHBDHN C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162935933 525638474 /nfs/dbraw/zinc/63/84/74/525638474.db2.gz RBXQBSIVHFHBKC-CSFVBSKPSA-N 0 3 316.401 3.593 20 5 DHBDHN C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162936050 525695414 /nfs/dbraw/zinc/69/54/14/525695414.db2.gz RBXQBSIVHFHBKC-QCPWZWHMSA-N 0 3 316.401 3.593 20 5 DHBDHN O=[N+]([O-])c1cccc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978300 527387177 /nfs/dbraw/zinc/38/71/77/527387177.db2.gz RHCZDLCMEAPTOO-UHFFFAOYSA-N 0 3 312.369 3.713 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCC[C@H]2Cc2ccccc2)cs1 ZINC000054173444 1013251952 /nfs/dbraw/zinc/25/19/52/1013251952.db2.gz LZVTUEWGPBQAND-HNNXBMFYSA-N 0 3 302.399 3.863 20 5 DHBDHN COC[C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093337785 1014342682 /nfs/dbraw/zinc/34/26/82/1014342682.db2.gz QLZDNTGQFXZPSQ-HNNXBMFYSA-N 0 3 306.406 3.577 20 5 DHBDHN COc1ccc(CCNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000237240112 1014533285 /nfs/dbraw/zinc/53/32/85/1014533285.db2.gz OAECJAQDEQDABE-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276269677 1014911100 /nfs/dbraw/zinc/91/11/00/1014911100.db2.gz ZJRVJEKPWRQYTL-GRYCIOLGSA-N 0 3 316.361 3.579 20 5 DHBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000522269024 1014993490 /nfs/dbraw/zinc/99/34/90/1014993490.db2.gz RBRIHUDWDSVSEC-UHFFFAOYSA-N 0 3 306.312 3.548 20 5 DHBDHN CC(C)(C)[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581623 1015629413 /nfs/dbraw/zinc/62/94/13/1015629413.db2.gz DBBLQQJYWZTZSH-CQSZACIVSA-N 0 3 303.362 3.747 20 5 DHBDHN COc1ccc(CCNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000060773956 1015649509 /nfs/dbraw/zinc/64/95/09/1015649509.db2.gz KITHGGMUEFOBKD-UHFFFAOYSA-N 0 3 320.776 3.589 20 5 DHBDHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276987949 1015838683 /nfs/dbraw/zinc/83/86/83/1015838683.db2.gz ZPFAQDWAEVAVAO-CYBMUJFWSA-N 0 3 300.358 3.844 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2COc3c2cccc3Cl)cc1 ZINC000610811057 1015853479 /nfs/dbraw/zinc/85/34/79/1015853479.db2.gz CKIUTJHKQNLMDS-OAHLLOKOSA-N 0 3 318.760 3.514 20 5 DHBDHN CO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000538726636 1016157804 /nfs/dbraw/zinc/15/78/04/1016157804.db2.gz LHRLRIBXBAYTPF-LBPRGKRZSA-N 0 3 318.398 3.544 20 5 DHBDHN CC[C@@H]1CCCC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686858 1017616006 /nfs/dbraw/zinc/61/60/06/1017616006.db2.gz UHSZBRBWSILBPI-MLGOLLRUSA-N 0 3 316.405 3.872 20 5 DHBDHN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000446798115 1018252119 /nfs/dbraw/zinc/25/21/19/1018252119.db2.gz WVLWOXZLTYJLJS-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCC3CC3)cs2)c1 ZINC000174606568 1018450556 /nfs/dbraw/zinc/45/05/56/1018450556.db2.gz HYVBXLZHIORCQB-UHFFFAOYSA-N 0 3 303.387 3.608 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC=CO3)o2)cc1 ZINC000780567369 1019289242 /nfs/dbraw/zinc/28/92/42/1019289242.db2.gz RZQBTICPDJRHIB-HNNXBMFYSA-N 0 3 314.341 3.637 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370282 1019456970 /nfs/dbraw/zinc/45/69/70/1019456970.db2.gz FOWLEMNOTJNMAG-JSGCOSHPSA-N 0 3 317.414 3.904 20 5 DHBDHN CC(C)N(Cc1ccc(O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611526572 1019508082 /nfs/dbraw/zinc/50/80/82/1019508082.db2.gz UYXWUJWLXKOROG-UHFFFAOYSA-N 0 3 300.358 3.711 20 5 DHBDHN C[C@@H](CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000727429299 1019712336 /nfs/dbraw/zinc/71/23/36/1019712336.db2.gz UWUKWTHECSROGY-AWEZNQCLSA-N 0 3 324.384 3.638 20 5 DHBDHN C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922540482 1020122103 /nfs/dbraw/zinc/12/21/03/1020122103.db2.gz JYLRBWHGYWTPNQ-CHWSQXEVSA-N 0 3 312.369 3.769 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCCc2cccnc21 ZINC000922880313 1020327283 /nfs/dbraw/zinc/32/72/83/1020327283.db2.gz CRZAQDCCWXXZIG-KZJSRBBCSA-N 0 3 309.369 3.670 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCO[C@@H](C(C)C)C1 ZINC000555794055 1020383707 /nfs/dbraw/zinc/38/37/07/1020383707.db2.gz QVVJIILTNXTOCL-RHSMWYFYSA-N 0 3 306.406 3.711 20 5 DHBDHN CC(C)[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738242752 1020868201 /nfs/dbraw/zinc/86/82/01/1020868201.db2.gz ZGCULJOSBMYYKB-CQSZACIVSA-N 0 3 316.405 3.660 20 5 DHBDHN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173232095 1020905134 /nfs/dbraw/zinc/90/51/34/1020905134.db2.gz GUTWWOVCKDAEHG-XIKOKIGWSA-N 0 3 312.369 3.942 20 5 DHBDHN CCCCN(CCCC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582376561 1020931241 /nfs/dbraw/zinc/93/12/41/1020931241.db2.gz UOALATZYUCSAQH-UHFFFAOYSA-N 0 3 304.394 3.873 20 5 DHBDHN O=[N+]([O-])c1ccc2cnn(CN3CCC4(C3)CCCCC4)c2c1 ZINC000742163668 1021092062 /nfs/dbraw/zinc/09/20/62/1021092062.db2.gz DCHHUZLXFCAUBS-UHFFFAOYSA-N 0 3 314.389 3.558 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCSC(C)(C)C ZINC000850443540 1021537962 /nfs/dbraw/zinc/53/79/62/1021537962.db2.gz SUKFLVBXUBYQTE-NSHDSACASA-N 0 3 312.435 3.786 20 5 DHBDHN COc1ccc(CN[C@@H](c2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000609287679 1021678310 /nfs/dbraw/zinc/67/83/10/1021678310.db2.gz NDGMRNWANZTBRZ-MRXNPFEDSA-N 0 3 318.398 3.906 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](c2ccccc2F)C1 ZINC000337493409 1033029872 /nfs/dbraw/zinc/02/98/72/1033029872.db2.gz GSALAIFLUQASPJ-ZDUSSCGKSA-N 0 3 300.333 3.723 20 5 DHBDHN CN(Cc1cccc(Cl)c1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035291 1022222453 /nfs/dbraw/zinc/22/24/53/1022222453.db2.gz KARLPOILWUESCC-ZYHUDNBSSA-N 0 3 317.216 3.871 20 5 DHBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385678 1022264859 /nfs/dbraw/zinc/26/48/59/1022264859.db2.gz GZUVEFGKSKGMEP-YVEFUNNKSA-N 0 3 316.357 3.512 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCCn2ccc3ccccc32)cs1 ZINC000237973210 1022626626 /nfs/dbraw/zinc/62/66/26/1022626626.db2.gz RLXDNMTVCIDLBU-UHFFFAOYSA-N 0 3 315.398 3.791 20 5 DHBDHN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2Cl)CCO[C@H]1C1CC1 ZINC000767195744 1022660684 /nfs/dbraw/zinc/66/06/84/1022660684.db2.gz QKNRIEDHBUCLGJ-JKSUJKDBSA-N 0 3 324.808 3.543 20 5 DHBDHN C[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304006 1022689445 /nfs/dbraw/zinc/68/94/45/1022689445.db2.gz JEEDWCOFJKXKCS-ZBEGNZNMSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1ccncc1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349922 1022693692 /nfs/dbraw/zinc/69/36/92/1022693692.db2.gz NJDWDIYHGNRTJV-SFHVURJKSA-N 0 3 311.385 3.856 20 5 DHBDHN CCS[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000787308490 1023785607 /nfs/dbraw/zinc/78/56/07/1023785607.db2.gz SEDSLYPLNJMGHG-DZGCQCFKSA-N 0 3 312.410 3.888 20 5 DHBDHN C[C@@H](NCc1ccc2ncccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788806945 1023936928 /nfs/dbraw/zinc/93/69/28/1023936928.db2.gz QOPMOAYBOCFILY-GFCCVEGCSA-N 0 3 322.368 3.576 20 5 DHBDHN C[C@H](CNCc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000893569055 1024123010 /nfs/dbraw/zinc/12/30/10/1024123010.db2.gz MACXEPVLXKNDTL-SECBINFHSA-N 0 3 311.794 3.598 20 5 DHBDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792868905 1024811828 /nfs/dbraw/zinc/81/18/28/1024811828.db2.gz YLZAYXATRFLISS-LALPHHSUSA-N 0 3 319.361 3.656 20 5 DHBDHN C[C@H](NC[C@H]1CCCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000927013227 1033247721 /nfs/dbraw/zinc/24/77/21/1033247721.db2.gz CUYQDBSCAVISJV-UONOGXRCSA-N 0 3 304.390 3.737 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)CC2CCCC2)C2CC2)cc1 ZINC000354727005 1025493392 /nfs/dbraw/zinc/49/33/92/1025493392.db2.gz GLLNYLCPJPLVOL-GOSISDBHSA-N 0 3 318.417 3.500 20 5 DHBDHN COCc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122064919 1026169522 /nfs/dbraw/zinc/16/95/22/1026169522.db2.gz LQNYDXBRCPZMGV-CQSZACIVSA-N 0 3 314.385 3.900 20 5 DHBDHN CCC(CC)[C@@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302138015 1026273608 /nfs/dbraw/zinc/27/36/08/1026273608.db2.gz DPIFAJLATKKAMG-KRWDZBQOSA-N 0 3 317.389 3.660 20 5 DHBDHN CCO[C@@H]1C[C@@H](NCc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560653 1026550231 /nfs/dbraw/zinc/55/02/31/1026550231.db2.gz OJBNBVLCQLYHMH-HZPDHXFCSA-N 0 3 322.380 3.561 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](C4CCCC4)C3)nc2c1 ZINC000420959935 1026892709 /nfs/dbraw/zinc/89/27/09/1026892709.db2.gz FZQNHKZPBSXMGI-CYBMUJFWSA-N 0 3 315.373 3.748 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000355754144 1027105299 /nfs/dbraw/zinc/10/52/99/1027105299.db2.gz ZODQNVVMCJWPQQ-WMLDXEAASA-N 0 3 304.390 3.548 20 5 DHBDHN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104007 1027520378 /nfs/dbraw/zinc/52/03/78/1027520378.db2.gz VZHCRPFHVIZZID-SNVBAGLBSA-N 0 3 313.309 3.716 20 5 DHBDHN C[C@H](N[C@@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362782 1027520638 /nfs/dbraw/zinc/52/06/38/1027520638.db2.gz YEVLDOSUHFRWPW-KPZWWZAWSA-N 0 3 311.385 3.905 20 5 DHBDHN COc1ccc(COc2cc(C)nc(C)c2C)cc1[N+](=O)[O-] ZINC000577191871 1027723857 /nfs/dbraw/zinc/72/38/57/1027723857.db2.gz ZFBXPIRTUKPDKS-UHFFFAOYSA-N 0 3 302.330 3.503 20 5 DHBDHN COc1cccc2c1CC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549160 1028106183 /nfs/dbraw/zinc/10/61/83/1028106183.db2.gz OZTGZQQFAXBXFB-IRXDYDNUSA-N 0 3 324.380 3.868 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2c[nH]cn2)CC1 ZINC000367918647 1028260279 /nfs/dbraw/zinc/26/02/79/1028260279.db2.gz RRWSLCYEGSZVPE-CYBMUJFWSA-N 0 3 314.389 3.567 20 5 DHBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C/C=C\c3ccncc3)C2)cc1 ZINC000449496268 1028711160 /nfs/dbraw/zinc/71/11/60/1028711160.db2.gz GLONTQKYXYMCKX-PBMKKYJASA-N 0 3 323.396 3.883 20 5 DHBDHN Cc1cnc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000374229975 1029247769 /nfs/dbraw/zinc/24/77/69/1029247769.db2.gz NXRRCZOITKKCPE-AWEZNQCLSA-N 0 3 317.414 3.739 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865832617 1030045623 /nfs/dbraw/zinc/04/56/23/1030045623.db2.gz UBCVBTBPBFEBHX-CHWSQXEVSA-N 0 3 300.280 3.582 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCSC2)C1 ZINC000451963645 1030069178 /nfs/dbraw/zinc/06/91/78/1030069178.db2.gz HTBWHROUPGRXLH-BBRMVZONSA-N 0 3 306.431 3.875 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCCCCO ZINC000290931460 1030252218 /nfs/dbraw/zinc/25/22/18/1030252218.db2.gz SCMAHINGCBIESD-UHFFFAOYSA-N 0 3 321.204 3.544 20 5 DHBDHN C[C@H]1Cc2cc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917933 1030992374 /nfs/dbraw/zinc/99/23/74/1030992374.db2.gz FCBMOPMSUCGXCV-SJCJKPOMSA-N 0 3 324.380 3.695 20 5 DHBDHN COc1cccc2c1CC[C@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000121949999 1031006048 /nfs/dbraw/zinc/00/60/48/1031006048.db2.gz GEEKDSPKCJTXGH-SJKOYZFVSA-N 0 3 312.369 3.942 20 5 DHBDHN CSC[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000292715571 1031140365 /nfs/dbraw/zinc/14/03/65/1031140365.db2.gz DRCSSUOYQRFSPH-GPAKFWEMSA-N 0 3 306.431 3.683 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCCCO1 ZINC000872027826 1031412202 /nfs/dbraw/zinc/41/22/02/1031412202.db2.gz MHCRYLNPBKGVKA-YPMHNXCESA-N 0 3 310.419 3.536 20 5 DHBDHN CSC[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040511 1031424872 /nfs/dbraw/zinc/42/48/72/1031424872.db2.gz ZPOFDUNBUZRQBQ-UWVGGRQHSA-N 0 3 300.449 3.719 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000872041057 1031425939 /nfs/dbraw/zinc/42/59/39/1031425939.db2.gz PGSAFVYANADFJW-RYUDHWBXSA-N 0 3 303.337 3.583 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOC(F)(F)F ZINC000872065176 1031461017 /nfs/dbraw/zinc/46/10/17/1031461017.db2.gz VCSHBCVKUKJLCQ-QMMMGPOBSA-N 0 3 324.324 3.504 20 5 DHBDHN CC(C)[C@@H]1C[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076883 1031473635 /nfs/dbraw/zinc/47/36/35/1031473635.db2.gz UTWYALJNLWPLGC-ZENOOKHLSA-N 0 3 324.396 3.836 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[C@@H](C)O1 ZINC000872077320 1031474857 /nfs/dbraw/zinc/47/48/57/1031474857.db2.gz FUIOLLGDKGEGRH-NTZNESFSSA-N 0 3 310.419 3.535 20 5 DHBDHN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000872079977 1031477087 /nfs/dbraw/zinc/47/70/87/1031477087.db2.gz RBWQUDXIWQGRCI-BDAKNGLRSA-N 0 3 308.275 3.973 20 5 DHBDHN CSCC1(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872086223 1031480709 /nfs/dbraw/zinc/48/07/09/1031480709.db2.gz VLVDEGSMEPQXRQ-NSHDSACASA-N 0 3 312.410 3.918 20 5 DHBDHN C[C@@H](NC[C@@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091165 1031488657 /nfs/dbraw/zinc/48/86/57/1031488657.db2.gz GATNDSUQMPMFDP-OLZOCXBDSA-N 0 3 322.380 3.591 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCc2ccc(F)cc2)c1 ZINC000035368080 1031634883 /nfs/dbraw/zinc/63/48/83/1031634883.db2.gz UMCLVZDEZUVGFW-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc([C@H](C)O)cc1 ZINC000873020750 1031694573 /nfs/dbraw/zinc/69/45/73/1031694573.db2.gz CESYULXGPJYBTC-AWEZNQCLSA-N 0 3 314.385 3.555 20 5 DHBDHN COc1cc(C)cc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000873096265 1031710544 /nfs/dbraw/zinc/71/05/44/1031710544.db2.gz MMYWIQPMGJNIPQ-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN COc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1C ZINC000873140229 1031725269 /nfs/dbraw/zinc/72/52/69/1031725269.db2.gz MCEABSSKFMBCLE-UHFFFAOYSA-N 0 3 300.358 3.510 20 5 DHBDHN CC([C@@H](OC(=O)CCC1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876648 1031749122 /nfs/dbraw/zinc/74/91/22/1031749122.db2.gz NHPGCPFUZGPWPS-MEDUHNTESA-N 0 3 309.337 3.656 20 5 DHBDHN CC([C@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845877520 1031751672 /nfs/dbraw/zinc/75/16/72/1031751672.db2.gz QBXBNHYJVLAVHV-FJJYHAOUSA-N 0 3 309.337 3.511 20 5 DHBDHN CC([C@@H](OC(=O)C1=CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877405 1031752363 /nfs/dbraw/zinc/75/23/63/1031752363.db2.gz PMSWQVWOGXHTKO-XHDPSFHLSA-N 0 3 307.321 3.576 20 5 DHBDHN CC1(C)CC2(CC(NCc3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC000897973283 1031888484 /nfs/dbraw/zinc/88/84/84/1031888484.db2.gz PWKYTXLIKOGPGJ-UHFFFAOYSA-N 0 3 324.808 3.686 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCc2ccc(-c3ccncc3)cc2)cc1 ZINC000361504246 1031959175 /nfs/dbraw/zinc/95/91/75/1031959175.db2.gz OQJPKLMMPAVIOO-UHFFFAOYSA-N 0 3 319.364 3.947 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCOC3(CCCC3)C2)c1 ZINC000136705424 1033312943 /nfs/dbraw/zinc/31/29/43/1033312943.db2.gz TTWPZLZMWDLQNX-ZDUSSCGKSA-N 0 3 324.808 3.830 20 5 DHBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813676 1033314977 /nfs/dbraw/zinc/31/49/77/1033314977.db2.gz GYHBSXKKIMTWED-ZBEGNZNMSA-N 0 3 320.776 3.632 20 5 DHBDHN Cc1c(CN2CC3(CCOCC3)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000877590566 1033372443 /nfs/dbraw/zinc/37/24/43/1033372443.db2.gz AZHAKWTVWROGNW-KRWDZBQOSA-N 0 3 318.417 3.540 20 5 DHBDHN C[C@H](N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898753 1033435507 /nfs/dbraw/zinc/43/55/07/1033435507.db2.gz IYSKYKSWQQPUHK-SMDDNHRTSA-N 0 3 317.414 3.650 20 5 DHBDHN C[C@@H](N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902069 1033437663 /nfs/dbraw/zinc/43/76/63/1033437663.db2.gz UTYHRAKCWRAWGQ-BXUZGUMPSA-N 0 3 317.414 3.650 20 5 DHBDHN CC([C@H](OC(=O)[C@H]1CCCC12CC2)c1ccccc1F)[N+](=O)[O-] ZINC000860854593 1033512349 /nfs/dbraw/zinc/51/23/49/1033512349.db2.gz DLHIBGPIEIINDD-KYOSRNDESA-N 0 3 321.348 3.656 20 5 DHBDHN CCC1CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173181354 1033581500 /nfs/dbraw/zinc/58/15/00/1033581500.db2.gz OYHPKSWDYLOTSD-LBPRGKRZSA-N 0 3 324.396 3.796 20 5 DHBDHN CC[C@@H]1CCCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195132 1033587869 /nfs/dbraw/zinc/58/78/69/1033587869.db2.gz CCZFYWMDPYDZFG-QWHCGFSZSA-N 0 3 324.396 3.938 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)ccc2C1 ZINC001173232632 1033608070 /nfs/dbraw/zinc/60/80/70/1033608070.db2.gz SBBKIPKWXXADAJ-CYBMUJFWSA-N 0 3 314.360 3.723 20 5 DHBDHN Cc1csc([C@@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010433 1034183043 /nfs/dbraw/zinc/18/30/43/1034183043.db2.gz UEKLCQWLWFWZRN-TZMCWYRMSA-N 0 3 317.414 3.910 20 5 DHBDHN O=[N+]([O-])c1cc(CN2CCCC[C@@H](C3CCOCC3)C2)cs1 ZINC000880575261 1034368341 /nfs/dbraw/zinc/36/83/41/1034368341.db2.gz WSPSSMINKSZTOI-OAHLLOKOSA-N 0 3 324.446 3.685 20 5 DHBDHN CCOc1ccc([C@@H](C)NC[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667071 1034378933 /nfs/dbraw/zinc/37/89/33/1034378933.db2.gz QVDVADOSLSCJNQ-VHSXEESVSA-N 0 3 320.311 3.843 20 5 DHBDHN C[C@@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000481190709 1034649596 /nfs/dbraw/zinc/64/95/96/1034649596.db2.gz LRCJBHJQBIQHPR-MDZLAQPJSA-N 0 3 303.362 3.650 20 5 DHBDHN C[C@@H]1[C@H](C(F)(F)F)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768362 1034969396 /nfs/dbraw/zinc/96/93/96/1034969396.db2.gz MNZHOGHAZULYKR-BXUZGUMPSA-N 0 3 316.323 3.800 20 5 DHBDHN C[C@@H](C1CC1)N(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000567893182 1035065067 /nfs/dbraw/zinc/06/50/67/1035065067.db2.gz IVWVWAUAJFLOQB-VIFPVBQESA-N 0 3 313.195 3.588 20 5 DHBDHN COc1cc(CNC2(C3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC001176841560 1035332885 /nfs/dbraw/zinc/33/28/85/1035332885.db2.gz AGKCUBFPBJKMLD-UHFFFAOYSA-N 0 3 322.380 3.945 20 5 DHBDHN COc1c([O-])ccc(C[N@@H+]2CCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC001180091458 1035576449 /nfs/dbraw/zinc/57/64/49/1035576449.db2.gz BLWLTARTDVJSEJ-CQSZACIVSA-N 0 3 322.405 3.710 20 5 DHBDHN COc1c([O-])ccc(C[N@H+]2CCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC001180091458 1035576454 /nfs/dbraw/zinc/57/64/54/1035576454.db2.gz BLWLTARTDVJSEJ-CQSZACIVSA-N 0 3 322.405 3.710 20 5 DHBDHN C[C@H]1CCCC[C@H]1OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743595 1035714582 /nfs/dbraw/zinc/71/45/82/1035714582.db2.gz QTJMDDUZPJXWLK-MAUKXSAKSA-N 0 3 320.433 3.664 20 5 DHBDHN CN(C/C=C\c1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC001181697938 1035975214 /nfs/dbraw/zinc/97/52/14/1035975214.db2.gz PKUGHBKKISDCDV-ALCCZGGFSA-N 0 3 314.360 3.922 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CC(C)(C)C)C1 ZINC001195214423 1036182229 /nfs/dbraw/zinc/18/22/29/1036182229.db2.gz VCRRKXDHEMPJQP-ZDUSSCGKSA-N 0 3 306.406 3.862 20 5 DHBDHN CC(C)N(C/C=C\c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000495079483 1036229796 /nfs/dbraw/zinc/22/97/96/1036229796.db2.gz NWWDXXKYTQIOKP-ARJAWSKDSA-N 0 3 311.385 3.914 20 5 DHBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CC=CCC1 ZINC000541320534 1036293088 /nfs/dbraw/zinc/29/30/88/1036293088.db2.gz SXWMFZHHXAUCID-GFCCVEGCSA-N 0 3 301.346 3.524 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000541555884 1036362692 /nfs/dbraw/zinc/36/26/92/1036362692.db2.gz PBOFLGCHLWRZFC-SNVBAGLBSA-N 0 3 304.724 3.916 20 5 DHBDHN CC[C@H]1CCCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905227 1037195448 /nfs/dbraw/zinc/19/54/48/1037195448.db2.gz LPSJDPJUFFGTQN-ZDUSSCGKSA-N 0 3 307.350 3.658 20 5 DHBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000193902081 1037305922 /nfs/dbraw/zinc/30/59/22/1037305922.db2.gz IWQHTUBIJORAFM-QWHCGFSZSA-N 0 3 312.369 3.942 20 5 DHBDHN Cc1cc(NC[C@H]2N(C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001186368116 1037375574 /nfs/dbraw/zinc/37/55/74/1037375574.db2.gz MOGTUWJHGGLFSB-OAHLLOKOSA-N 0 3 309.385 3.575 20 5 DHBDHN CCC(C)(C)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001186872826 1037509696 /nfs/dbraw/zinc/50/96/96/1037509696.db2.gz QJTIQQWCRQWJAX-UHFFFAOYSA-N 0 3 311.813 3.559 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccc(F)cc1 ZINC000490354600 1037693421 /nfs/dbraw/zinc/69/34/21/1037693421.db2.gz RKDAGGFPRMBCQO-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000055102574 1038035003 /nfs/dbraw/zinc/03/50/03/1038035003.db2.gz NPIYSLNYAZMEMY-UHFFFAOYSA-N 0 3 312.369 3.680 20 5 DHBDHN CCC1(CC)[C@H](N(C)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001191744084 1038541886 /nfs/dbraw/zinc/54/18/86/1038541886.db2.gz YJPCMWJIDNJDDP-CVEARBPZSA-N 0 3 306.406 3.620 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590601956 1038675410 /nfs/dbraw/zinc/67/54/10/1038675410.db2.gz UFHIDMTXLRNZMG-GDBMZVCRSA-N 0 3 311.385 3.930 20 5 DHBDHN O=[N+]([O-])c1cccc(OCCN(Cc2cccs2)C2CC2)c1 ZINC000046054386 1039062118 /nfs/dbraw/zinc/06/21/18/1039062118.db2.gz VAQGINFWIVVONW-UHFFFAOYSA-N 0 3 318.398 3.700 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(CC2(F)F)C1 ZINC000593696016 1039085724 /nfs/dbraw/zinc/08/57/24/1039085724.db2.gz ATZGKNJDOWPEGX-BLMSOEDDSA-N 0 3 308.328 3.729 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000603850881 1039187036 /nfs/dbraw/zinc/18/70/36/1039187036.db2.gz HIYDPYGJKWRZIY-QGZVFWFLSA-N 0 3 314.360 3.941 20 5 DHBDHN CCN(CC)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000603853980 1039190239 /nfs/dbraw/zinc/19/02/39/1039190239.db2.gz OGEYGGJBRFSKNK-AWEZNQCLSA-N 0 3 320.418 3.546 20 5 DHBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000058563864 1039277340 /nfs/dbraw/zinc/27/73/40/1039277340.db2.gz ROMYATGGJPSEJS-UHFFFAOYSA-N 0 3 318.348 3.635 20 5 DHBDHN CCCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000604492910 1039485532 /nfs/dbraw/zinc/48/55/32/1039485532.db2.gz UMYCPJKORYPSRQ-UHFFFAOYSA-N 0 3 318.377 3.513 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594509023 1039807383 /nfs/dbraw/zinc/80/73/83/1039807383.db2.gz GSWVWUUKXIAEEA-HOTGVXAUSA-N 0 3 324.808 3.686 20 5 DHBDHN CC(C)(F)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594973143 1039948582 /nfs/dbraw/zinc/94/85/82/1039948582.db2.gz OBOIQWSKFHYHRA-UHFFFAOYSA-N 0 3 323.393 3.946 20 5 DHBDHN C[C@@H](c1ccc(F)cc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000059371390 1039957255 /nfs/dbraw/zinc/95/72/55/1039957255.db2.gz WACIPWGESQXCRD-ZDUSSCGKSA-N 0 3 318.348 3.806 20 5 DHBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000594955944 1039962600 /nfs/dbraw/zinc/96/26/00/1039962600.db2.gz QLEBWJWUFOLKEN-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN CC1(C)[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000594991146 1040007312 /nfs/dbraw/zinc/00/73/12/1040007312.db2.gz FDPKZAQGIAORFI-LLVKDONJSA-N 0 3 304.724 3.629 20 5 DHBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594043809 1040014839 /nfs/dbraw/zinc/01/48/39/1040014839.db2.gz OYEKVMXBEROQCP-GJZGRUSLSA-N 0 3 312.797 3.686 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCCS1 ZINC000595032583 1040039792 /nfs/dbraw/zinc/03/97/92/1040039792.db2.gz NLYHTVKKTNTOOM-WCQYABFASA-N 0 3 310.419 3.540 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC(C)(C)OC1(C)C ZINC000595034028 1040041744 /nfs/dbraw/zinc/04/17/44/1040041744.db2.gz ORKTWIGTNOKCSR-NHYWBVRUSA-N 0 3 322.405 3.600 20 5 DHBDHN COCc1csc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000595079829 1040071620 /nfs/dbraw/zinc/07/16/20/1040071620.db2.gz ZGWWIWYHAUMCBS-LBPRGKRZSA-N 0 3 320.414 3.962 20 5 DHBDHN Cc1cc(NC[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])s1 ZINC000596055567 1040293021 /nfs/dbraw/zinc/29/30/21/1040293021.db2.gz RBLDOHPLORROPT-LLVKDONJSA-N 0 3 311.432 3.741 20 5 DHBDHN C[C@@]1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000602711945 1041172443 /nfs/dbraw/zinc/17/24/43/1041172443.db2.gz SZIIUXQJPKVCQK-NSHDSACASA-N 0 3 324.249 3.749 20 5 DHBDHN CCCO[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093316822 193230556 /nfs/dbraw/zinc/23/05/56/193230556.db2.gz VJOCPNJQWAXQGF-JZLODUJNSA-N 0 3 318.417 3.889 20 5 DHBDHN C[C@@H]1C[C@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069110 130086909 /nfs/dbraw/zinc/08/69/09/130086909.db2.gz OAHLFCOPQHKUOH-VXGBXAGGSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@H]1C[C@@H](CCNCc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069107 130087325 /nfs/dbraw/zinc/08/73/25/130087325.db2.gz OAHLFCOPQHKUOH-RYUDHWBXSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@H]1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123065 130090351 /nfs/dbraw/zinc/09/03/51/130090351.db2.gz ZZMXQHJRDSBMOV-NWDGAFQWSA-N 0 3 312.797 3.543 20 5 DHBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000274814224 130263687 /nfs/dbraw/zinc/26/36/87/130263687.db2.gz YNDZPLWDUWFJGX-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN COc1cccc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076727 131046017 /nfs/dbraw/zinc/04/60/17/131046017.db2.gz LPYQCJGPMFMGBL-NWDGAFQWSA-N 0 3 315.373 3.597 20 5 DHBDHN Cc1cccc(CCCNCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000285491571 131173366 /nfs/dbraw/zinc/17/33/66/131173366.db2.gz IROQQOSCNRMSQN-UHFFFAOYSA-N 0 3 319.792 3.674 20 5 DHBDHN CCOC(=O)CC(C)(C)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000287702266 131295826 /nfs/dbraw/zinc/29/58/26/131295826.db2.gz JGNAQWNAJIZUBJ-ZDUSSCGKSA-N 0 3 322.405 3.615 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1COc2ccccc21 ZINC000288637328 131333730 /nfs/dbraw/zinc/33/37/30/131333730.db2.gz UAQXAFZULOHAMR-LBPRGKRZSA-N 0 3 318.760 3.514 20 5 DHBDHN COc1ccc2c(c1)[C@@H](NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000323062806 331615398 /nfs/dbraw/zinc/61/53/98/331615398.db2.gz MHJJQFNBLVTINU-KRWDZBQOSA-N 0 3 312.369 3.689 20 5 DHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(F)c(F)c1 ZINC000449099381 331769148 /nfs/dbraw/zinc/76/91/48/331769148.db2.gz SWRIJZRENNGUNI-NSHDSACASA-N 0 3 306.312 3.594 20 5 DHBDHN CC[C@@H](C)N[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690765 331808834 /nfs/dbraw/zinc/80/88/34/331808834.db2.gz ASSJAXQEYXSSFC-ABAIWWIYSA-N 0 3 321.352 3.868 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CSc2ccccc21 ZINC000092275356 331919451 /nfs/dbraw/zinc/91/94/51/331919451.db2.gz VUNWDOXSBBIYDD-CYBMUJFWSA-N 0 3 300.383 3.574 20 5 DHBDHN CCOC[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093839069 332142977 /nfs/dbraw/zinc/14/29/77/332142977.db2.gz XGDSGKWSIIHFHC-HNNXBMFYSA-N 0 3 306.406 3.577 20 5 DHBDHN C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381032 332376229 /nfs/dbraw/zinc/37/62/29/332376229.db2.gz SLINLCBVHCFJAK-AAEUAGOBSA-N 0 3 318.398 3.590 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000195347870 335111052 /nfs/dbraw/zinc/11/10/52/335111052.db2.gz PVDFUCDBRLPHHT-JSGCOSHPSA-N 0 3 317.414 3.992 20 5 DHBDHN Cc1cc(NCCc2cccnc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181446187 333030377 /nfs/dbraw/zinc/03/03/77/333030377.db2.gz GHEUWIKTTIPWSI-UHFFFAOYSA-N 0 3 308.341 3.501 20 5 DHBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000378901876 333061662 /nfs/dbraw/zinc/06/16/62/333061662.db2.gz HUVOHQQITWOQLC-OAHLLOKOSA-N 0 3 300.358 3.844 20 5 DHBDHN C=Cc1ccc(CCNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000462905983 333130428 /nfs/dbraw/zinc/13/04/28/333130428.db2.gz MFFMUKDYQMYPNR-UHFFFAOYSA-N 0 3 300.333 3.709 20 5 DHBDHN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc(C)c1O ZINC000319185866 333270674 /nfs/dbraw/zinc/27/06/74/333270674.db2.gz KXXDFKBXKHWVMO-UHFFFAOYSA-N 0 3 300.358 3.515 20 5 DHBDHN C[C@H](NC[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666577 333384746 /nfs/dbraw/zinc/38/47/46/333384746.db2.gz DBGXIYRLRMWVCI-GUYCJALGSA-N 0 3 306.406 3.577 20 5 DHBDHN Cc1cc(NC[C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228581845 333391647 /nfs/dbraw/zinc/39/16/47/333391647.db2.gz JBLOKXDKKHGPFY-NSHDSACASA-N 0 3 303.387 3.616 20 5 DHBDHN C[C@H](N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448729 333671927 /nfs/dbraw/zinc/67/19/27/333671927.db2.gz FJJQYJWZOKZOBE-MZPVMMEZSA-N 0 3 300.333 3.941 20 5 DHBDHN C[C@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1 ZINC000414499519 333998590 /nfs/dbraw/zinc/99/85/90/333998590.db2.gz KFZSVAPJIFALTO-AAEUAGOBSA-N 0 3 318.398 3.838 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000272339040 334033481 /nfs/dbraw/zinc/03/34/81/334033481.db2.gz OFILBCXUOHWQDT-ZDUSSCGKSA-N 0 3 314.389 3.567 20 5 DHBDHN C[C@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321298 334107738 /nfs/dbraw/zinc/10/77/38/334107738.db2.gz SJFCKGJJEBRTRQ-NHYWBVRUSA-N 0 3 301.346 3.528 20 5 DHBDHN CC(C)c1ccc([C@H](N)CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000414853831 334127652 /nfs/dbraw/zinc/12/76/52/334127652.db2.gz YGLFYXLNCNMQIU-QGZVFWFLSA-N 0 3 313.401 3.508 20 5 DHBDHN COCC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531956975 334313193 /nfs/dbraw/zinc/31/31/93/334313193.db2.gz IJIWCYMTTKEAAB-UHFFFAOYSA-N 0 3 318.398 3.592 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2[nH]cnc2c1 ZINC000535078668 334364452 /nfs/dbraw/zinc/36/44/52/334364452.db2.gz BILIUGNCQPEGQO-UHFFFAOYSA-N 0 3 324.384 3.882 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2nc[nH]c2c1 ZINC000535078668 334364454 /nfs/dbraw/zinc/36/44/54/334364454.db2.gz BILIUGNCQPEGQO-UHFFFAOYSA-N 0 3 324.384 3.882 20 5 DHBDHN Cc1cncc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417312321 334705302 /nfs/dbraw/zinc/70/53/02/334705302.db2.gz RVXUVBOOVNKJME-SFHVURJKSA-N 0 3 311.385 3.856 20 5 DHBDHN CC[C@H](NC[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925811 335202368 /nfs/dbraw/zinc/20/23/68/335202368.db2.gz IMSHNRCCNWAUMP-YOEHRIQHSA-N 0 3 312.369 3.812 20 5 DHBDHN CC[C@H](NC[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925805 335202380 /nfs/dbraw/zinc/20/23/80/335202380.db2.gz IMSHNRCCNWAUMP-PBHICJAKSA-N 0 3 312.369 3.812 20 5 DHBDHN CC[C@@H]1CCCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332365100 336169656 /nfs/dbraw/zinc/16/96/56/336169656.db2.gz RCPYYAVOBIJQDW-MLGOLLRUSA-N 0 3 320.389 3.520 20 5 DHBDHN CO[C@H](C)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685074 336230331 /nfs/dbraw/zinc/23/03/31/336230331.db2.gz RJGZHIOCRPYAQT-KDOFPFPSSA-N 0 3 314.385 3.699 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000301056059 336287552 /nfs/dbraw/zinc/28/75/52/336287552.db2.gz JUSLQTMTWMCLJX-HNNXBMFYSA-N 0 3 317.414 3.905 20 5 DHBDHN O=[N+]([O-])c1ccsc1N1CCCN(CC2CCCCC2)CC1 ZINC000302009938 336342929 /nfs/dbraw/zinc/34/29/29/336342929.db2.gz YDOIBEDUWMUJIV-UHFFFAOYSA-N 0 3 323.462 3.749 20 5 DHBDHN Cc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000108097540 336392927 /nfs/dbraw/zinc/39/29/27/336392927.db2.gz QXVZVEYDFUAZQZ-KRWDZBQOSA-N 0 3 317.364 3.757 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000377788681 337061127 /nfs/dbraw/zinc/06/11/27/337061127.db2.gz XVRUCQUXOLYKES-MSOLQXFVSA-N 0 3 312.369 3.605 20 5 DHBDHN CO[C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000378630664 337077016 /nfs/dbraw/zinc/07/70/16/337077016.db2.gz GJHYTOFVJOOWIC-HNNXBMFYSA-N 0 3 306.406 3.719 20 5 DHBDHN CO[C@@H](C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000582573954 337107580 /nfs/dbraw/zinc/10/75/80/337107580.db2.gz XDTZATUMWBOXNZ-LBPRGKRZSA-N 0 3 320.414 3.790 20 5 DHBDHN COc1cc(CN([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184245602 337197600 /nfs/dbraw/zinc/19/76/00/337197600.db2.gz VWGWTGLRDYINOI-SNVBAGLBSA-N 0 3 308.353 3.505 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186705787 337258877 /nfs/dbraw/zinc/25/88/77/337258877.db2.gz JOUOSQBQAJLPGC-IFXJQAMLSA-N 0 3 324.380 3.787 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc2ncccc2c1 ZINC000192975833 337308833 /nfs/dbraw/zinc/30/88/33/337308833.db2.gz YZIPFFQRKUMPSM-UHFFFAOYSA-N 0 3 307.353 3.741 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895865 337581380 /nfs/dbraw/zinc/58/13/80/337581380.db2.gz XFYGHCYMZAFUKN-DJIMGWMZSA-N 0 3 316.401 3.519 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS[C@H](C)CC1 ZINC000426389397 338030076 /nfs/dbraw/zinc/03/00/76/338030076.db2.gz FDFXPWIBAVPHFZ-JWAFFJSPSA-N 0 3 306.431 3.826 20 5 DHBDHN CC(C)(NCCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000429236748 338074174 /nfs/dbraw/zinc/07/41/74/338074174.db2.gz MJOZDWINVPUJBP-UHFFFAOYSA-N 0 3 320.339 3.940 20 5 DHBDHN CC(C)(NCCOc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000429234334 338074317 /nfs/dbraw/zinc/07/43/17/338074317.db2.gz GVQSSCGSZUKPSE-UHFFFAOYSA-N 0 3 318.348 3.638 20 5 DHBDHN CCOc1ccc([C@H](C)N[C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414434 338080234 /nfs/dbraw/zinc/08/02/34/338080234.db2.gz XZBVZMOKQJLFNR-BLLLJJGKSA-N 0 3 304.390 3.977 20 5 DHBDHN CCS[C@@H]1CCCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429683099 338087372 /nfs/dbraw/zinc/08/73/72/338087372.db2.gz INMHHSYETVMPBI-UKRRQHHQSA-N 0 3 312.410 3.888 20 5 DHBDHN CCOC1(C)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000430101882 338096684 /nfs/dbraw/zinc/09/66/84/338096684.db2.gz XGMMHTPDWWLPDF-NTCAYCPXSA-N 0 3 318.417 3.889 20 5 DHBDHN COCC(C)(C)N(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430144092 338098884 /nfs/dbraw/zinc/09/88/84/338098884.db2.gz YSUUZOWKIXFLET-UHFFFAOYSA-N 0 3 318.373 3.712 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H](C)c1ccccc1 ZINC000430208229 338101537 /nfs/dbraw/zinc/10/15/37/338101537.db2.gz AVRMUXDVXGMILJ-CQSZACIVSA-N 0 3 314.385 3.839 20 5 DHBDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232222 338102326 /nfs/dbraw/zinc/10/23/26/338102326.db2.gz FWGQEWVMCGWENA-ZFWWWQNUSA-N 0 3 324.446 3.709 20 5 DHBDHN CC1(C)CC[C@H](CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073417 338180205 /nfs/dbraw/zinc/18/02/05/338180205.db2.gz GEMOYLKVBPEDOD-CJNGLKHVSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)CC[C@H](CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073618 338180277 /nfs/dbraw/zinc/18/02/77/338180277.db2.gz GEMOYLKVBPEDOD-CZUORRHYSA-N 0 3 318.417 3.864 20 5 DHBDHN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000433215737 338186184 /nfs/dbraw/zinc/18/61/84/338186184.db2.gz RBXSMABSQUOCKV-JCURWCKSSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)C[C@@H](NCCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433287795 338189395 /nfs/dbraw/zinc/18/93/95/338189395.db2.gz LJCAHNFXDMAJIQ-GFCCVEGCSA-N 0 3 302.296 3.859 20 5 DHBDHN CO[C@@H]1CCCC[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433289741 338189536 /nfs/dbraw/zinc/18/95/36/338189536.db2.gz PTRJZYDMYMPQKW-GVDBMIGSSA-N 0 3 318.417 3.864 20 5 DHBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1 ZINC000435726040 338246288 /nfs/dbraw/zinc/24/62/88/338246288.db2.gz LBZOQHCNKTZPCO-SAZUREKKSA-N 0 3 318.323 3.909 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000435793083 338249525 /nfs/dbraw/zinc/24/95/25/338249525.db2.gz YKONBQIHDDYOSS-HDJSIYSDSA-N 0 3 300.333 3.770 20 5 DHBDHN C[C@H](c1ccco1)N(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440899743 338399585 /nfs/dbraw/zinc/39/95/85/338399585.db2.gz UMLUTYAQSUTYFA-CYBMUJFWSA-N 0 3 316.357 3.792 20 5 DHBDHN CCC(CC)(CC)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838359 338537744 /nfs/dbraw/zinc/53/77/44/338537744.db2.gz HPJAHCMKMXOVSS-UHFFFAOYSA-N 0 3 304.394 3.777 20 5 DHBDHN CC[C@H](C[C@@H](C)CC)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845199 338538242 /nfs/dbraw/zinc/53/82/42/338538242.db2.gz YSSVXEAYHWLBHW-NWDGAFQWSA-N 0 3 304.394 3.776 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCCC[C@@H]3C3CC3)nc2c1 ZINC000446849978 338538422 /nfs/dbraw/zinc/53/84/22/338538422.db2.gz SYFMUHLAGOPOJH-KGLIPLIRSA-N 0 3 314.389 3.530 20 5 DHBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000449058990 338589272 /nfs/dbraw/zinc/58/92/72/338589272.db2.gz NQFQGFUBZXTHGI-XJKSGUPXSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000449058988 338589290 /nfs/dbraw/zinc/58/92/90/338589290.db2.gz NQFQGFUBZXTHGI-CJNGLKHVSA-N 0 3 312.369 3.639 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000452054207 338752203 /nfs/dbraw/zinc/75/22/03/338752203.db2.gz QCAPUYJLGGOTKN-IAOVAPTHSA-N 0 3 306.406 3.902 20 5 DHBDHN CO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000453147129 338799607 /nfs/dbraw/zinc/79/96/07/338799607.db2.gz ISIPVVCFJNTVOW-VBNZEHGJSA-N 0 3 304.390 3.511 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(C)c(C)n1 ZINC000459662561 339041401 /nfs/dbraw/zinc/04/14/01/339041401.db2.gz HAAJAPZPSJBJBC-LCYFTJDESA-N 0 3 311.385 3.800 20 5 DHBDHN CO[C@@H]1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754237 339046410 /nfs/dbraw/zinc/04/64/10/339046410.db2.gz JGNSVSJYSVXIJI-APHBMKBZSA-N 0 3 304.390 3.511 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027503 339251439 /nfs/dbraw/zinc/25/14/39/339251439.db2.gz SPTGRKLPVXPTIQ-NXEZZACHSA-N 0 3 320.311 3.985 20 5 DHBDHN COc1cccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468653879 339268124 /nfs/dbraw/zinc/26/81/24/339268124.db2.gz YWIYIIAHNSDCKS-NTEUORMPSA-N 0 3 312.369 3.797 20 5 DHBDHN COCC1(C)CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470215571 339314380 /nfs/dbraw/zinc/31/43/80/339314380.db2.gz LMBZRNFEPOJLCP-RVDMUPIBSA-N 0 3 318.417 3.747 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)OCc1ccccc12 ZINC000473162742 339383434 /nfs/dbraw/zinc/38/34/34/339383434.db2.gz QAALWRSBNJFNHL-KUHUBIRLSA-N 0 3 324.380 3.787 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCCCc1ccc(F)c(F)c1 ZINC000479416118 339533947 /nfs/dbraw/zinc/53/39/47/339533947.db2.gz WCZLXGGNNIYWLL-UHFFFAOYSA-N 0 3 320.339 3.986 20 5 DHBDHN Cc1ccc([C@@H](C)N[C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479510000 339538551 /nfs/dbraw/zinc/53/85/51/339538551.db2.gz HQUCZGLLOFAECS-UKRRQHHQSA-N 0 3 308.422 3.741 20 5 DHBDHN Cc1c(CNC/C=C\c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000480461477 339573850 /nfs/dbraw/zinc/57/38/50/339573850.db2.gz OJKWQWIBLQMKGR-HYXAFXHYSA-N 0 3 318.323 3.984 20 5 DHBDHN Cc1ccc(CNC[C@H]2CCC3(CCCCC3)O2)cc1[N+](=O)[O-] ZINC000480467353 339573907 /nfs/dbraw/zinc/57/39/07/339573907.db2.gz LXNRRVKATDMKDL-MRXNPFEDSA-N 0 3 318.417 3.875 20 5 DHBDHN COc1cc(CN[C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481186703 339597868 /nfs/dbraw/zinc/59/78/68/339597868.db2.gz IHHAMSPUIANXOE-UHIISALHSA-N 0 3 310.369 3.657 20 5 DHBDHN CCC[C@H](NC[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249977 339627649 /nfs/dbraw/zinc/62/76/49/339627649.db2.gz PXCQMAVYCSWZMF-ZWKOTPCHSA-N 0 3 320.433 3.967 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714622 339672496 /nfs/dbraw/zinc/67/24/96/339672496.db2.gz PINVVOZZNKECJY-RRQGHBQHSA-N 0 3 318.417 3.902 20 5 DHBDHN O=[N+]([O-])c1ccc(CNCCc2cccc3[nH]ccc32)c(F)c1 ZINC000500529708 340061506 /nfs/dbraw/zinc/06/15/06/340061506.db2.gz HPEMPTPFBHJRDW-UHFFFAOYSA-N 0 3 313.332 3.548 20 5 DHBDHN C[C@@H](NCCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000502664618 340109884 /nfs/dbraw/zinc/10/98/84/340109884.db2.gz QQSZNGWOTLNFTA-SNVBAGLBSA-N 0 3 324.302 3.905 20 5 DHBDHN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000507208008 340213345 /nfs/dbraw/zinc/21/33/45/340213345.db2.gz FNNYEGCACLXFNG-NEPJUHHUSA-N 0 3 310.357 3.883 20 5 DHBDHN C[C@H](NCCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507831448 340233650 /nfs/dbraw/zinc/23/36/50/340233650.db2.gz RDOPDLDIIFAMLX-LBPRGKRZSA-N 0 3 320.776 3.978 20 5 DHBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507880321 340235078 /nfs/dbraw/zinc/23/50/78/340235078.db2.gz NSFXKIDLTBQIGS-INIZCTEOSA-N 0 3 318.323 3.693 20 5 DHBDHN C[C@H](NCCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000542489186 341010026 /nfs/dbraw/zinc/01/00/26/341010026.db2.gz YMVNMIWCONDFIJ-ZDUSSCGKSA-N 0 3 317.364 3.887 20 5 DHBDHN Cc1ccc([C@H](C)N[C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704460 341054371 /nfs/dbraw/zinc/05/43/71/341054371.db2.gz HRULFTJPEUCBSI-SWLSCSKDSA-N 0 3 306.406 3.900 20 5 DHBDHN C[C@@H](NCCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000544373371 341078742 /nfs/dbraw/zinc/07/87/42/341078742.db2.gz DIPHAPQOVNLKLI-CYBMUJFWSA-N 0 3 317.364 3.887 20 5 DHBDHN CO[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462144 341090300 /nfs/dbraw/zinc/09/03/00/341090300.db2.gz ZOWCLHXTIXAXCZ-KDOFPFPSSA-N 0 3 314.385 3.942 20 5 DHBDHN CCC(CC)(CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000546870678 341184339 /nfs/dbraw/zinc/18/43/39/341184339.db2.gz YDSGKPFSRDJLHT-ZDUSSCGKSA-N 0 3 322.405 3.533 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000135171051 341232716 /nfs/dbraw/zinc/23/27/16/341232716.db2.gz PDGNGGRZUJBHCQ-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN COc1cccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000080347412 341272987 /nfs/dbraw/zinc/27/29/87/341272987.db2.gz PDIDSCHQZZSJGD-UHFFFAOYSA-N 0 3 300.358 3.628 20 5 DHBDHN Cc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000548935863 341281701 /nfs/dbraw/zinc/28/17/01/341281701.db2.gz AEDALWBYKVCJSG-UHFFFAOYSA-N 0 3 304.415 3.948 20 5 DHBDHN CCOc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549172755 341287966 /nfs/dbraw/zinc/28/79/66/341287966.db2.gz ODQMMTGPWQTGEB-UHFFFAOYSA-N 0 3 314.385 3.668 20 5 DHBDHN COc1ccc(-c2ccc(CNCC[C@H](C)F)o2)c([N+](=O)[O-])c1 ZINC000549883824 341305831 /nfs/dbraw/zinc/30/58/31/341305831.db2.gz NDXQSZRYCBECSV-NSHDSACASA-N 0 3 322.336 3.701 20 5 DHBDHN C[C@@H]1CCC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000162994109 341410652 /nfs/dbraw/zinc/41/06/52/341410652.db2.gz TXXASSPJDMPGFY-NQBHXWOUSA-N 0 3 303.362 3.650 20 5 DHBDHN Cc1cccnc1C(C)(C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000554993527 341472158 /nfs/dbraw/zinc/47/21/58/341472158.db2.gz CGFMVANNTHHVCX-AWEZNQCLSA-N 0 3 313.401 3.927 20 5 DHBDHN COc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000271670758 341624011 /nfs/dbraw/zinc/62/40/11/341624011.db2.gz MZGKBKMHSDRVLX-ZDUSSCGKSA-N 0 3 300.358 3.763 20 5 DHBDHN Cc1cccc2c1OC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254342 341722533 /nfs/dbraw/zinc/72/25/33/341722533.db2.gz ALEAAOGKAAQCTL-XJKSGUPXSA-N 0 3 312.369 3.558 20 5 DHBDHN CCOC[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000474925496 517706416 /nfs/dbraw/zinc/70/64/16/517706416.db2.gz WKZHGBINFKQJRH-WFASDCNBSA-N 0 3 312.797 3.543 20 5 DHBDHN CCCN(CCC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267901682 521650411 /nfs/dbraw/zinc/65/04/11/521650411.db2.gz LNJIQXQXYXRIDW-LBPRGKRZSA-N 0 3 318.377 3.828 20 5 DHBDHN CC[C@H](NC[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178671739 522639286 /nfs/dbraw/zinc/63/92/86/522639286.db2.gz FGYVHIKDDAGTGX-ROUUACIJSA-N 0 3 314.385 3.543 20 5 DHBDHN CC[C@@H](NC[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156989033 522866574 /nfs/dbraw/zinc/86/65/74/522866574.db2.gz ZQLXYNOWUGXNNL-ZBFHGGJFSA-N 0 3 320.414 3.605 20 5 DHBDHN CO[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131499902 523540970 /nfs/dbraw/zinc/54/09/70/523540970.db2.gz XJJYJNOMAQZDBY-GUYCJALGSA-N 0 3 300.358 3.633 20 5 DHBDHN C[C@H](N[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819517 525618004 /nfs/dbraw/zinc/61/80/04/525618004.db2.gz YQJIUDWZZKNLIY-HOCLYGCPSA-N 0 3 311.385 3.524 20 5 DHBDHN C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162935819 525654996 /nfs/dbraw/zinc/65/49/96/525654996.db2.gz RBXQBSIVHFHBKC-UOJCXKCYSA-N 0 3 316.401 3.593 20 5 DHBDHN C[C@@H](N[C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819521 525685190 /nfs/dbraw/zinc/68/51/90/525685190.db2.gz YQJIUDWZZKNLIY-ZBFHGGJFSA-N 0 3 311.385 3.524 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940868 525923222 /nfs/dbraw/zinc/92/32/22/525923222.db2.gz XGUXUGJVMKIOAF-BLLLJJGKSA-N 0 3 320.414 3.523 20 5 DHBDHN CCOc1ccc([C@H](C)NCc2cccs2)cc1[N+](=O)[O-] ZINC000152599002 1033533043 /nfs/dbraw/zinc/53/30/43/1033533043.db2.gz BRAJCNPJLVFVJK-NSHDSACASA-N 0 3 306.387 3.906 20 5 DHBDHN COc1ccc2c(c1)[C@H](NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000323062807 1014525867 /nfs/dbraw/zinc/52/58/67/1014525867.db2.gz MHJJQFNBLVTINU-QGZVFWFLSA-N 0 3 312.369 3.689 20 5 DHBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831594 1014745029 /nfs/dbraw/zinc/74/50/29/1014745029.db2.gz AZPMCKGOUBQUAG-LSDHHAIUSA-N 0 3 324.808 3.686 20 5 DHBDHN CCO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492138 1014847242 /nfs/dbraw/zinc/84/72/42/1014847242.db2.gz IOFVRKLUMTYNRU-KDOFPFPSSA-N 0 3 320.433 3.965 20 5 DHBDHN C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276240124 1014893239 /nfs/dbraw/zinc/89/32/39/1014893239.db2.gz UMPTYEFOZJGVDI-GRYCIOLGSA-N 0 3 316.361 3.579 20 5 DHBDHN CC[C@H](NCc1cccc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119913229 1016428691 /nfs/dbraw/zinc/42/86/91/1016428691.db2.gz MMLQSNKZKKAEIN-SFHVURJKSA-N 0 3 313.401 3.902 20 5 DHBDHN C[C@H](c1cccs1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000051502047 1016484611 /nfs/dbraw/zinc/48/46/11/1016484611.db2.gz WGYAKAIIZSPTNT-GFCCVEGCSA-N 0 3 306.387 3.728 20 5 DHBDHN COc1cc(CN(C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707078 1016583314 /nfs/dbraw/zinc/58/33/14/1016583314.db2.gz MZEVJNLNXCGNIX-OCCSQVGLSA-N 0 3 322.405 3.623 20 5 DHBDHN CN(CCC1CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559142995 1012514543 /nfs/dbraw/zinc/51/45/43/1012514543.db2.gz QQLCISNWWIEWCR-UHFFFAOYSA-N 0 3 302.296 3.846 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000079198983 1017165911 /nfs/dbraw/zinc/16/59/11/1017165911.db2.gz DXKPDORYXNNOMX-KRWDZBQOSA-N 0 3 315.373 3.529 20 5 DHBDHN CC[C@H]1CCCC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686847 1017614378 /nfs/dbraw/zinc/61/43/78/1017614378.db2.gz UHSZBRBWSILBPI-BLLLJJGKSA-N 0 3 316.405 3.872 20 5 DHBDHN CC(C)[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083198553 1017629892 /nfs/dbraw/zinc/62/98/92/1017629892.db2.gz MQKXUQVBSHCUPK-CQSZACIVSA-N 0 3 303.362 3.747 20 5 DHBDHN C[C@@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000235262648 1017647148 /nfs/dbraw/zinc/64/71/48/1017647148.db2.gz USDWTVYKWGBKQE-MWLCHTKSSA-N 0 3 313.195 3.636 20 5 DHBDHN COc1ccc(CNC(C)(C)c2cccs2)cc1[N+](=O)[O-] ZINC000523939896 1017831855 /nfs/dbraw/zinc/83/18/55/1017831855.db2.gz JRUAVMYGXFVJEM-UHFFFAOYSA-N 0 3 306.387 3.690 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CC(F)(F)F)C(C)C ZINC000445873478 1017999481 /nfs/dbraw/zinc/99/94/81/1017999481.db2.gz BOJBQYNWSYCCIX-GFCCVEGCSA-N 0 3 320.311 3.670 20 5 DHBDHN CCC(CC)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172111537 1018012478 /nfs/dbraw/zinc/01/24/78/1018012478.db2.gz HOMKYWUQEUWIPK-UHFFFAOYSA-N 0 3 305.403 3.997 20 5 DHBDHN COc1cnc(NCCP(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001162358145 1018034604 /nfs/dbraw/zinc/03/46/04/1018034604.db2.gz KXXNXDUTYPNIHK-UHFFFAOYSA-N 0 3 313.338 3.709 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCCC1 ZINC000039536712 1018060102 /nfs/dbraw/zinc/06/01/02/1018060102.db2.gz RZLRVELASAAISV-UHFFFAOYSA-N 0 3 320.389 3.616 20 5 DHBDHN C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977818 1018556393 /nfs/dbraw/zinc/55/63/93/1018556393.db2.gz LHGYJRHJIRQCKG-KGLIPLIRSA-N 0 3 304.390 3.737 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCC[C@H]1CCC2(CCC2)O1 ZINC000922969028 1018955200 /nfs/dbraw/zinc/95/52/00/1018955200.db2.gz YCYAGJMGXOBSPS-CQSZACIVSA-N 0 3 324.808 3.830 20 5 DHBDHN Cc1c(CN2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000611258529 1019424900 /nfs/dbraw/zinc/42/49/00/1019424900.db2.gz WJOTVEBSYDZXJU-UHFFFAOYSA-N 0 3 311.385 3.678 20 5 DHBDHN C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000611413471 1019476526 /nfs/dbraw/zinc/47/65/26/1019476526.db2.gz WHVYFBGQGJMMNY-OCCSQVGLSA-N 0 3 317.414 3.731 20 5 DHBDHN C[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000235268128 1019833962 /nfs/dbraw/zinc/83/39/62/1019833962.db2.gz USDWTVYKWGBKQE-KOLCDFICSA-N 0 3 313.195 3.636 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000068838322 1019931495 /nfs/dbraw/zinc/93/14/95/1019931495.db2.gz IAFKHACZGZDTTB-MRXNPFEDSA-N 0 3 315.373 3.827 20 5 DHBDHN CC(C)(COCc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000389960390 1020164553 /nfs/dbraw/zinc/16/45/53/1020164553.db2.gz LYGKAASEGJZDHX-UHFFFAOYSA-N 0 3 314.385 3.680 20 5 DHBDHN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CC1 ZINC000733326213 1020373972 /nfs/dbraw/zinc/37/39/72/1020373972.db2.gz OVYSLQIDTWISLJ-NSHDSACASA-N 0 3 317.414 3.997 20 5 DHBDHN O=[N+]([O-])c1cc(CNCCc2ccc(Cl)s2)cs1 ZINC000225587218 1020413553 /nfs/dbraw/zinc/41/35/53/1020413553.db2.gz YGGSANJJMGSUSF-UHFFFAOYSA-N 0 3 302.808 3.704 20 5 DHBDHN Cc1cc(NC[C@@H]2CCCS2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228486114 1020615797 /nfs/dbraw/zinc/61/57/97/1020615797.db2.gz NVIMMVFRJBNXHQ-LBPRGKRZSA-N 0 3 303.387 3.759 20 5 DHBDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000613184934 1020844891 /nfs/dbraw/zinc/84/48/91/1020844891.db2.gz ZBACJVYBLUDEEV-GXTWGEPZSA-N 0 3 317.414 3.589 20 5 DHBDHN CC[C@H](C)[C@@H]1CCCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052950 1020860613 /nfs/dbraw/zinc/86/06/13/1020860613.db2.gz FZALQAWPUPFYBG-BBRMVZONSA-N 0 3 316.405 3.803 20 5 DHBDHN CCC[C@H]1[C@@H](C)CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380242 1021288092 /nfs/dbraw/zinc/28/80/92/1021288092.db2.gz XLGOCNYUECXYQB-BBRMVZONSA-N 0 3 316.405 3.803 20 5 DHBDHN Cc1c(CN2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000170688586 1021352394 /nfs/dbraw/zinc/35/23/94/1021352394.db2.gz PLXVXXHZGURJEP-QGZVFWFLSA-N 0 3 311.385 3.590 20 5 DHBDHN CN1CC[C@H](Nc2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000618679587 1021483863 /nfs/dbraw/zinc/48/38/63/1021483863.db2.gz VOFOSCJTMOMLFG-WFASDCNBSA-N 0 3 303.387 3.514 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@@H]3C=CCC3)o2)c([N+](=O)[O-])c1 ZINC000850358710 1021485413 /nfs/dbraw/zinc/48/54/13/1021485413.db2.gz KDCPPUTUGZJYQE-GFCCVEGCSA-N 0 3 314.341 3.672 20 5 DHBDHN Cc1ccc(C(C)(C)Nc2cc3c(cc2[N+](=O)[O-])CNC3)cc1 ZINC001168807360 1022139224 /nfs/dbraw/zinc/13/92/24/1022139224.db2.gz JDJZRPFAJZDUCQ-UHFFFAOYSA-N 0 3 311.385 3.854 20 5 DHBDHN O=[N+]([O-])C[C@H]1CC[C@H](NC2c3ccccc3Oc3ccccc32)C1 ZINC001168989307 1022218634 /nfs/dbraw/zinc/21/86/34/1022218634.db2.gz VVKOQKOYYWTPSS-KBPBESRZSA-N 0 3 324.380 3.917 20 5 DHBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001169046328 1022229609 /nfs/dbraw/zinc/22/96/09/1022229609.db2.gz KNNAMVYTQGFPSI-TYNCELHUSA-N 0 3 310.344 3.547 20 5 DHBDHN C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)c2ccccc21 ZINC001169381819 1022380004 /nfs/dbraw/zinc/38/00/04/1022380004.db2.gz TXRBYKZHCVRUJU-ZBEGNZNMSA-N 0 3 309.369 3.858 20 5 DHBDHN CO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000769446252 1023154221 /nfs/dbraw/zinc/15/42/21/1023154221.db2.gz LHRLRIBXBAYTPF-GFCCVEGCSA-N 0 3 318.398 3.544 20 5 DHBDHN Cc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640585 1023917390 /nfs/dbraw/zinc/91/73/90/1023917390.db2.gz SULRRRGTSJQFRG-PXAZEXFGSA-N 0 3 311.385 3.824 20 5 DHBDHN C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788707548 1023924338 /nfs/dbraw/zinc/92/43/38/1023924338.db2.gz ZHKIIDPHVMUFRL-CYBMUJFWSA-N 0 3 311.385 3.907 20 5 DHBDHN C[C@H]1CC[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634398 1024557532 /nfs/dbraw/zinc/55/75/32/1024557532.db2.gz SHKMNHIKKQLVPI-WFASDCNBSA-N 0 3 316.357 3.512 20 5 DHBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCCCCC1 ZINC001170342534 1024757341 /nfs/dbraw/zinc/75/73/41/1024757341.db2.gz OVRSZHQAVQVROK-CQSZACIVSA-N 0 3 319.405 3.578 20 5 DHBDHN O=[N+]([O-])c1ccc(CN(C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000792861344 1024809210 /nfs/dbraw/zinc/80/92/10/1024809210.db2.gz BTXVOIBBBUKMFM-UHFFFAOYSA-N 0 3 319.361 3.800 20 5 DHBDHN CCC[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000279733727 1025203791 /nfs/dbraw/zinc/20/37/91/1025203791.db2.gz WIWXFCVBVKTCGQ-HOCLYGCPSA-N 0 3 320.414 3.648 20 5 DHBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000886242930 1025570143 /nfs/dbraw/zinc/57/01/43/1025570143.db2.gz JFHBCQPONVHVNI-IAGOWNOFSA-N 0 3 311.385 3.758 20 5 DHBDHN C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@H]1C ZINC000419367600 1026274367 /nfs/dbraw/zinc/27/43/67/1026274367.db2.gz DHIBKNAFUPOZDT-AGIUHOORSA-N 0 3 315.373 3.726 20 5 DHBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCCSC1 ZINC000811484185 1027008844 /nfs/dbraw/zinc/00/88/44/1027008844.db2.gz WNGUMNMWDODHBH-JTQLQIEISA-N 0 3 321.229 3.887 20 5 DHBDHN COC[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237240254 1027022343 /nfs/dbraw/zinc/02/23/43/1027022343.db2.gz OHEXNRZJXDVEDY-JTQLQIEISA-N 0 3 324.764 3.633 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000355754141 1027105800 /nfs/dbraw/zinc/10/58/00/1027105800.db2.gz ZODQNVVMCJWPQQ-PBHICJAKSA-N 0 3 304.390 3.548 20 5 DHBDHN CSc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000231883582 1027136837 /nfs/dbraw/zinc/13/68/37/1027136837.db2.gz ILHOMZMIHZTSTD-UHFFFAOYSA-N 0 3 302.399 3.915 20 5 DHBDHN C[C@H](C1CCCCC1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572425976 1027199639 /nfs/dbraw/zinc/19/96/39/1027199639.db2.gz MLPOQRIDNMTGCM-GFCCVEGCSA-N 0 3 316.405 3.872 20 5 DHBDHN CCO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492137 1028687451 /nfs/dbraw/zinc/68/74/51/1028687451.db2.gz IOFVRKLUMTYNRU-KBXCAEBGSA-N 0 3 320.433 3.965 20 5 DHBDHN Cc1cnc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000374231265 1029246637 /nfs/dbraw/zinc/24/66/37/1029246637.db2.gz VGHIXKLONUKQBH-CQSZACIVSA-N 0 3 317.414 3.739 20 5 DHBDHN C[C@@]1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCOC1 ZINC000357345210 1030007119 /nfs/dbraw/zinc/00/71/19/1030007119.db2.gz NRSTWMLBAMECOL-QGZVFWFLSA-N 0 3 316.357 3.514 20 5 DHBDHN Cc1csc([C@H](C)N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256780 1030182585 /nfs/dbraw/zinc/18/25/85/1030182585.db2.gz POQRJFFLLOIHRP-KOLCDFICSA-N 0 3 323.393 3.781 20 5 DHBDHN CC(C)c1cc(CN[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866267665 1030190159 /nfs/dbraw/zinc/19/01/59/1030190159.db2.gz PSSPELQXEJAZNO-LLVKDONJSA-N 0 3 321.352 3.566 20 5 DHBDHN Cc1c(CN[C@H](C)c2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358340315 1030445706 /nfs/dbraw/zinc/44/57/06/1030445706.db2.gz QHNSBIXSYULDIU-CYBMUJFWSA-N 0 3 312.369 3.784 20 5 DHBDHN CC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000844393286 1031095160 /nfs/dbraw/zinc/09/51/60/1031095160.db2.gz JMQBXVXBDFBGDM-DLBZAZTESA-N 0 3 318.348 3.508 20 5 DHBDHN CSC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000292715573 1031141192 /nfs/dbraw/zinc/14/11/92/1031141192.db2.gz DRCSSUOYQRFSPH-LHRNQBEKSA-N 0 3 306.431 3.683 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C2CCOCC2)c(Cl)c1 ZINC000360209698 1031327054 /nfs/dbraw/zinc/32/70/54/1031327054.db2.gz RGVOYMQHAXWPOK-INIZCTEOSA-N 0 3 324.808 3.639 20 5 DHBDHN COCCC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872042300 1031428119 /nfs/dbraw/zinc/42/81/19/1031428119.db2.gz ASBUIBIAIBBQNC-GFCCVEGCSA-N 0 3 310.369 3.591 20 5 DHBDHN Cc1cnc([C@@H](C)CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063220 1031458770 /nfs/dbraw/zinc/45/87/70/1031458770.db2.gz VHJHZNBJWYAEBX-GXSJLCMTSA-N 0 3 323.393 3.953 20 5 DHBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC=CO1 ZINC000872065219 1031460263 /nfs/dbraw/zinc/46/02/63/1031460263.db2.gz VVSXOYXAZSRWQS-DGCLKSJQSA-N 0 3 308.403 3.660 20 5 DHBDHN COCC1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078791 1031475008 /nfs/dbraw/zinc/47/50/08/1031475008.db2.gz JWLMWJXBWBTZDU-HIFPTAJRSA-N 0 3 310.369 3.590 20 5 DHBDHN O=[N+]([O-])c1cc(CNC2(Cc3ccccc3)CCC2)cs1 ZINC000537311027 1031569544 /nfs/dbraw/zinc/56/95/44/1031569544.db2.gz LIUWGVAEOCHUBL-UHFFFAOYSA-N 0 3 302.399 3.911 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN(CCCc1cccnc1)C1CC1 ZINC000930061904 1031688707 /nfs/dbraw/zinc/68/87/07/1031688707.db2.gz VIUVAEGTYADCGH-UHFFFAOYSA-N 0 3 311.385 3.587 20 5 DHBDHN C[C@H](C1CCCCC1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792880195 1031719390 /nfs/dbraw/zinc/71/93/90/1031719390.db2.gz BEUYCAUUZKOQKH-GFCCVEGCSA-N 0 3 321.377 3.904 20 5 DHBDHN Cc1c(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873152253 1031728480 /nfs/dbraw/zinc/72/84/80/1031728480.db2.gz HWBXSZSEFJARSM-CHWSQXEVSA-N 0 3 314.307 3.890 20 5 DHBDHN Cc1ccsc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872879 1031747523 /nfs/dbraw/zinc/74/75/23/1031747523.db2.gz QABCZDQBSMUVLU-MFKMUULPSA-N 0 3 323.345 3.759 20 5 DHBDHN CC([C@H](OC(=O)[C@@H](C)C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845881628 1031750451 /nfs/dbraw/zinc/75/04/51/1031750451.db2.gz MWKUFAAZSVDQDY-PGUXBMHVSA-N 0 3 309.337 3.511 20 5 DHBDHN CCC[C@@H]1C[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877001 1031751011 /nfs/dbraw/zinc/75/10/11/1031751011.db2.gz CVHVSEWJVVRPBR-NLRBGTRBSA-N 0 3 309.337 3.511 20 5 DHBDHN CC([C@@H](OC(=O)C1CC2(CCC2)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883013 1031753572 /nfs/dbraw/zinc/75/35/72/1031753572.db2.gz XKGSGPPISHHOPU-XHDPSFHLSA-N 0 3 321.348 3.656 20 5 DHBDHN CC([C@@H](OC(=O)C1CC(C)(C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845883039 1031754511 /nfs/dbraw/zinc/75/45/11/1031754511.db2.gz RARZMKXQDRXRHN-QMTHXVAHSA-N 0 3 309.337 3.511 20 5 DHBDHN CC(C)CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777951832 1032026025 /nfs/dbraw/zinc/02/60/25/1032026025.db2.gz KNTVWKJEYKDJGV-UHFFFAOYSA-N 0 3 314.389 3.536 20 5 DHBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC3(CC3)CC2)c1F ZINC001173178892 1033581058 /nfs/dbraw/zinc/58/10/58/1033581058.db2.gz BWUVNCWOFYYTCK-GFCCVEGCSA-N 0 3 322.380 3.550 20 5 DHBDHN CC[C@H]1CCCCN1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191328 1033583919 /nfs/dbraw/zinc/58/39/19/1033583919.db2.gz CCZFYWMDPYDZFG-STQMWFEESA-N 0 3 324.396 3.938 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC001173221192 1033600865 /nfs/dbraw/zinc/60/08/65/1033600865.db2.gz GEPGCMHZCJGDMA-GFCCVEGCSA-N 0 3 302.399 3.646 20 5 DHBDHN Cc1ccc(CN2CCC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000878755601 1033818396 /nfs/dbraw/zinc/81/83/96/1033818396.db2.gz VWBGVCDDHIDXNC-KRWDZBQOSA-N 0 3 311.385 3.678 20 5 DHBDHN CC[C@@H](C)CN(CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177860961 1034189063 /nfs/dbraw/zinc/18/90/63/1034189063.db2.gz FEOVSKLSEAFZDW-GFCCVEGCSA-N 0 3 318.377 3.513 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2nccs2)C1 ZINC000880318358 1034295659 /nfs/dbraw/zinc/29/56/59/1034295659.db2.gz YCVSEPOFYWYQKR-RYUDHWBXSA-N 0 3 303.387 3.602 20 5 DHBDHN C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001180646803 1035734761 /nfs/dbraw/zinc/73/47/61/1035734761.db2.gz REARLIPYBOWJEU-LBPRGKRZSA-N 0 3 311.341 3.629 20 5 DHBDHN C[C@H]1C[C@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883471 1035759312 /nfs/dbraw/zinc/75/93/12/1035759312.db2.gz XFDCSVSPKCCGLV-STQMWFEESA-N 0 3 315.373 3.728 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](OCC2CC2)C1 ZINC000494704452 1035771027 /nfs/dbraw/zinc/77/10/27/1035771027.db2.gz SEGYXWUZEQTRMZ-YOEHRIQHSA-N 0 3 318.417 3.855 20 5 DHBDHN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000089912397 1035796838 /nfs/dbraw/zinc/79/68/38/1035796838.db2.gz AHJRTFRAVIEFDZ-LLVKDONJSA-N 0 3 303.362 3.774 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000539829626 1035885643 /nfs/dbraw/zinc/88/56/43/1035885643.db2.gz PUWYCCHLTAAPSH-SJLPKXTDSA-N 0 3 308.381 3.757 20 5 DHBDHN C=Cc1ccc(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC001181944441 1036054143 /nfs/dbraw/zinc/05/41/43/1036054143.db2.gz DSKDHNBFQMXDJU-UHFFFAOYSA-N 0 3 323.352 3.711 20 5 DHBDHN Cc1noc(CN2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558957 1036234229 /nfs/dbraw/zinc/23/42/29/1036234229.db2.gz RMDKHNONOLJFMC-CHWSQXEVSA-N 0 3 307.394 3.539 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H](C)C[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000443774512 1036579094 /nfs/dbraw/zinc/57/90/94/1036579094.db2.gz AHNMELZSDZIONO-CKEIUWERSA-N 0 3 320.433 3.700 20 5 DHBDHN C[C@H](N(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1(C)CC1 ZINC000774638215 1036616414 /nfs/dbraw/zinc/61/64/14/1036616414.db2.gz QNIFRRIZSGKERI-JTQLQIEISA-N 0 3 322.796 3.676 20 5 DHBDHN C[C@H](CCc1ccco1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368210 1037084941 /nfs/dbraw/zinc/08/49/41/1037084941.db2.gz FCDBCUOPFMEGCZ-LLVKDONJSA-N 0 3 308.765 3.952 20 5 DHBDHN C[C@@H](Cc1cccc(O)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000776174666 1037677925 /nfs/dbraw/zinc/67/79/25/1037677925.db2.gz RMLNYVCZKSQFRZ-NSHDSACASA-N 0 3 320.776 3.675 20 5 DHBDHN CC(C)c1ccc(CN[C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593681729 1039050850 /nfs/dbraw/zinc/05/08/50/1039050850.db2.gz IFLWRGNVYYRHRO-CYBMUJFWSA-N 0 3 306.406 3.623 20 5 DHBDHN CC1(C)C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000594969671 1039948936 /nfs/dbraw/zinc/94/89/36/1039948936.db2.gz ZAWZODROSIZYAE-LBPRGKRZSA-N 0 3 316.357 3.512 20 5 DHBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594044097 1040014879 /nfs/dbraw/zinc/01/48/79/1040014879.db2.gz OYEKVMXBEROQCP-LSDHHAIUSA-N 0 3 312.797 3.686 20 5 DHBDHN Cc1noc(CN2C[C@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323569 1040107246 /nfs/dbraw/zinc/10/72/46/1040107246.db2.gz ZKJKAIRKRVOLBB-GXTWGEPZSA-N 0 3 315.373 3.578 20 5 DHBDHN Cc1noc(CN[C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451389 1040144215 /nfs/dbraw/zinc/14/42/15/1040144215.db2.gz XKXFNWDCYUWDCV-GJZGRUSLSA-N 0 3 315.373 3.707 20 5 DHBDHN Cc1noc(CN2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595479630 1040149145 /nfs/dbraw/zinc/14/91/45/1040149145.db2.gz GAVFXZPOIFXNLC-WFASDCNBSA-N 0 3 315.373 3.578 20 5 DHBDHN CO[C@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595512878 1040157292 /nfs/dbraw/zinc/15/72/92/1040157292.db2.gz XHNVTQXFAAFTDQ-MRXNPFEDSA-N 0 3 306.406 3.625 20 5 DHBDHN CCOc1cc(CN2CCC[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595755506 1040244202 /nfs/dbraw/zinc/24/42/02/1040244202.db2.gz NBZDOLPQUZSMEP-CYBMUJFWSA-N 0 3 310.369 3.565 20 5 DHBDHN Cc1c([C@@H](C)N[C@@H]2CCc3cc(N)ccc32)cccc1[N+](=O)[O-] ZINC000596652907 1040522379 /nfs/dbraw/zinc/52/23/79/1040522379.db2.gz QVPQPEOGALXTSX-SJKOYZFVSA-N 0 3 311.385 3.824 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224009 1040703278 /nfs/dbraw/zinc/70/32/78/1040703278.db2.gz ARRNSUAXFAXBFG-AEFFLSMTSA-N 0 3 318.417 3.684 20 5 DHBDHN CCOC(C)(C)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602628708 1041137562 /nfs/dbraw/zinc/13/75/62/1041137562.db2.gz JVNRAZPGFJBSJH-UHFFFAOYSA-N 0 3 320.311 3.518 20 5 DHBDHN Cc1c(CN2CCC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000602851627 1041260076 /nfs/dbraw/zinc/26/00/76/1041260076.db2.gz BAPSMPQYJZDLAD-QGZVFWFLSA-N 0 3 311.385 3.678 20 5 DHBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000602852127 1041262110 /nfs/dbraw/zinc/26/21/10/1041262110.db2.gz CPMDOLVEWLGXOS-GOEBONIOSA-N 0 3 311.385 3.930 20 5 DHBDHN C[C@@H](NCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000120533110 195185420 /nfs/dbraw/zinc/18/54/20/195185420.db2.gz QSBQAJPSJBRFCE-CYBMUJFWSA-N 0 3 307.353 3.994 20 5 DHBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCCCF)CC2)cc1 ZINC000283922694 131033923 /nfs/dbraw/zinc/03/39/23/131033923.db2.gz CHKUUVPLKXVTLT-UHFFFAOYSA-N 0 3 310.369 3.578 20 5 DHBDHN COc1cccc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076736 131045676 /nfs/dbraw/zinc/04/56/76/131045676.db2.gz LPYQCJGPMFMGBL-VXGBXAGGSA-N 0 3 315.373 3.597 20 5 DHBDHN CSCc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285440343 131168925 /nfs/dbraw/zinc/16/89/25/131168925.db2.gz IDIBIHMBIIUFII-UHFFFAOYSA-N 0 3 302.399 3.748 20 5 DHBDHN CC[C@H](COCC(F)(F)F)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155571 132001994 /nfs/dbraw/zinc/00/19/94/132001994.db2.gz COCLMRTUZDDDQO-ZYHUDNBSSA-N 0 3 320.311 3.603 20 5 DHBDHN Cc1ccc([C@@H](C)NCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000538128115 331678816 /nfs/dbraw/zinc/67/88/16/331678816.db2.gz HOPNGGNLSJJXGJ-CQSZACIVSA-N 0 3 300.358 3.633 20 5 DHBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000353809786 335095229 /nfs/dbraw/zinc/09/52/29/335095229.db2.gz CIDYNNNSJIQYAQ-UHFFFAOYSA-N 0 3 300.305 3.571 20 5 DHBDHN CCC(=O)c1ccc(SCCN(CC)CC)c([N+](=O)[O-])c1 ZINC000359545240 332574200 /nfs/dbraw/zinc/57/42/00/332574200.db2.gz RFXAYKIGEPFKNU-UHFFFAOYSA-N 0 3 310.419 3.621 20 5 DHBDHN COCCC(C)(C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302181809 332984323 /nfs/dbraw/zinc/98/43/23/332984323.db2.gz ZWKPPEKNJXOWHU-UHFFFAOYSA-N 0 3 317.389 3.926 20 5 DHBDHN CCO[C@@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353898 333019815 /nfs/dbraw/zinc/01/98/15/333019815.db2.gz JKIRIOIMSGKBJL-DLBZAZTESA-N 0 3 318.417 3.731 20 5 DHBDHN CCOc1ccc([C@H](C)NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000179395995 333150237 /nfs/dbraw/zinc/15/02/37/333150237.db2.gz SFKPQIFODOINFV-LBPRGKRZSA-N 0 3 320.414 3.948 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCc1nccs1 ZINC000182929971 333181546 /nfs/dbraw/zinc/18/15/46/333181546.db2.gz AXVIFQHKYUZQHB-GFCCVEGCSA-N 0 3 305.403 3.595 20 5 DHBDHN COc1ccc(CNC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000319189308 333270851 /nfs/dbraw/zinc/27/08/51/333270851.db2.gz OHMQZWMFZGNREW-UHFFFAOYSA-N 0 3 300.358 3.628 20 5 DHBDHN CC(C)c1ccc(CNCC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000522758378 333385911 /nfs/dbraw/zinc/38/59/11/333385911.db2.gz VESXCBYJEXJESJ-UHFFFAOYSA-N 0 3 320.433 3.893 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000526063205 333390274 /nfs/dbraw/zinc/39/02/74/333390274.db2.gz QDAXVEIQMDNKKN-IONAJQSGSA-N 0 3 306.431 3.824 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCCC2(F)F)c(F)c1 ZINC000390849807 333399272 /nfs/dbraw/zinc/39/92/72/333399272.db2.gz HXJPMLDBWOHOFB-LLVKDONJSA-N 0 3 302.296 3.649 20 5 DHBDHN Cc1ccc([C@H](C)NCCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000531697214 333547097 /nfs/dbraw/zinc/54/70/97/333547097.db2.gz QTYGWYMFXCPANV-AWEZNQCLSA-N 0 3 324.384 3.604 20 5 DHBDHN COC1([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293674 333934876 /nfs/dbraw/zinc/93/48/76/333934876.db2.gz BRMJFLNRQDSVOP-WBMJQRKESA-N 0 3 304.390 3.519 20 5 DHBDHN CC[C@@H]1C[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841854 334339482 /nfs/dbraw/zinc/33/94/82/334339482.db2.gz GAINNTTUHMWVAK-SWLSCSKDSA-N 0 3 315.373 3.870 20 5 DHBDHN CC(C)N(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000535072702 334364485 /nfs/dbraw/zinc/36/44/85/334364485.db2.gz XPFGYAFQXURUEP-UHFFFAOYSA-N 0 3 314.332 3.817 20 5 DHBDHN CN(C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000341339850 334431618 /nfs/dbraw/zinc/43/16/18/334431618.db2.gz IDZZYKUEAYUCKN-GFCCVEGCSA-N 0 3 309.366 3.510 20 5 DHBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2(F)CCC2)c1 ZINC000342198173 334520765 /nfs/dbraw/zinc/52/07/65/334520765.db2.gz CIWUQONNAGMGOC-UHFFFAOYSA-N 0 3 318.295 3.568 20 5 DHBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCc1nccs1)CCCC2 ZINC000417349067 334706264 /nfs/dbraw/zinc/70/62/64/334706264.db2.gz ZJYVEUNZQZVCAD-OAHLLOKOSA-N 0 3 317.414 3.651 20 5 DHBDHN CCC(CC)[C@@H](CCNCc1csc([N+](=O)[O-])c1)OC ZINC000344832294 335278823 /nfs/dbraw/zinc/27/88/23/335278823.db2.gz VMURTJRLBIJCHB-CYBMUJFWSA-N 0 3 300.424 3.587 20 5 DHBDHN C[C@@H](CN(C)C/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000346244790 335393999 /nfs/dbraw/zinc/39/39/99/335393999.db2.gz CLGXYRZNAVMVEP-VGVVRCBHSA-N 0 3 317.414 3.800 20 5 DHBDHN CC1(C)CCCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332149830 336160544 /nfs/dbraw/zinc/16/05/44/336160544.db2.gz IMCCWCXHPHCRMN-AWEZNQCLSA-N 0 3 302.378 3.530 20 5 DHBDHN COCC[C@H]1CCCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338740 336169201 /nfs/dbraw/zinc/16/92/01/336169201.db2.gz QMVVWIOVHSQNFN-HUUCEWRRSA-N 0 3 306.406 3.794 20 5 DHBDHN CC[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332365101 336169840 /nfs/dbraw/zinc/16/98/40/336169840.db2.gz RCPYYAVOBIJQDW-WBMJQRKESA-N 0 3 320.389 3.520 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522599 336252532 /nfs/dbraw/zinc/25/25/32/336252532.db2.gz KTTWYGOMISWTJH-KBRIMQKVSA-N 0 3 318.417 3.902 20 5 DHBDHN CCCN(Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCCO1 ZINC000532714505 336268032 /nfs/dbraw/zinc/26/80/32/336268032.db2.gz OYNKIFQZMULRSI-INIZCTEOSA-N 0 3 306.406 3.684 20 5 DHBDHN C[C@@H](CNc1sccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301984232 336341385 /nfs/dbraw/zinc/34/13/85/336341385.db2.gz CBYLXDIDPVCQIK-LBPRGKRZSA-N 0 3 305.403 3.589 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1COCc2ccccc21 ZINC000418109058 336581056 /nfs/dbraw/zinc/58/10/56/336581056.db2.gz SLROWLSTMCVPBC-SZJVNEJHSA-N 0 3 324.380 3.859 20 5 DHBDHN CC[C@H](N[C@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705198 337177341 /nfs/dbraw/zinc/17/73/41/337177341.db2.gz DPBIUDBRMVWTHC-DOMZBBRYSA-N 0 3 322.405 3.756 20 5 DHBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000571932913 337582281 /nfs/dbraw/zinc/58/22/81/337582281.db2.gz QYMGFRMOZRIPCO-KOMQPUFPSA-N 0 3 300.333 3.770 20 5 DHBDHN Cc1ccccc1OCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536883401 337844252 /nfs/dbraw/zinc/84/42/52/337844252.db2.gz UFPWTHFGMSHHHQ-CQSZACIVSA-N 0 3 300.358 3.633 20 5 DHBDHN CC(C)c1ccc(CNCCOCC2CCC2)cc1[N+](=O)[O-] ZINC000515361435 337986311 /nfs/dbraw/zinc/98/63/11/337986311.db2.gz YUIWDOALGZENMU-UHFFFAOYSA-N 0 3 306.406 3.625 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CCC[C@H]21 ZINC000426456834 338032676 /nfs/dbraw/zinc/03/26/76/338032676.db2.gz FISJWOTWGLFNIG-CZUORRHYSA-N 0 3 304.390 3.756 20 5 DHBDHN CC[C@H]1CCC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768929 338089414 /nfs/dbraw/zinc/08/94/14/338089414.db2.gz QYPRZHITLPAOPM-LRDDRELGSA-N 0 3 315.373 3.918 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2ccccc2)C1 ZINC000430226569 338102131 /nfs/dbraw/zinc/10/21/31/338102131.db2.gz OXUIXRRVRNAKDL-HNNXBMFYSA-N 0 3 312.369 3.593 20 5 DHBDHN CN(CCSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000432915080 338172781 /nfs/dbraw/zinc/17/27/81/338172781.db2.gz FVJMEEQOURMEKA-UHFFFAOYSA-N 0 3 302.399 3.819 20 5 DHBDHN CN(CCSCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000433019266 338176610 /nfs/dbraw/zinc/17/66/10/338176610.db2.gz JAKKFVKCYLGYRF-UHFFFAOYSA-N 0 3 316.426 3.960 20 5 DHBDHN CCC(O)(CC)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433087264 338181043 /nfs/dbraw/zinc/18/10/43/338181043.db2.gz IIXUYJMETHEOFH-MRXNPFEDSA-N 0 3 320.433 3.848 20 5 DHBDHN CCC(CC)[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115105 338182205 /nfs/dbraw/zinc/18/22/05/338182205.db2.gz HRDCGROEKXPNDV-DLBZAZTESA-N 0 3 320.433 3.704 20 5 DHBDHN CC(C)(C)C[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272315 338188866 /nfs/dbraw/zinc/18/88/66/338188866.db2.gz HPAOMMLXDXHEOQ-CJNGLKHVSA-N 0 3 320.433 3.704 20 5 DHBDHN CO[C@H](CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291690 338189576 /nfs/dbraw/zinc/18/95/76/338189576.db2.gz VCWYTBJIDAVQFY-JKSUJKDBSA-N 0 3 306.406 3.578 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H](c2ccccc2F)C1 ZINC000435790609 338249398 /nfs/dbraw/zinc/24/93/98/338249398.db2.gz MUJWXBWKUPFSQU-HDJSIYSDSA-N 0 3 300.333 3.770 20 5 DHBDHN CO[C@H]1CCCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442819120 338433441 /nfs/dbraw/zinc/43/34/41/338433441.db2.gz HSDOMRKJHWFVQR-ULQDDVLXSA-N 0 3 304.390 3.519 20 5 DHBDHN C[C@@H]1C[C@H]1c1ccc(CNCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000194414691 338526689 /nfs/dbraw/zinc/52/66/89/338526689.db2.gz VSZWROZKWLWZMT-MLGOLLRUSA-N 0 3 300.358 3.644 20 5 DHBDHN C[C@@H](CC1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446834971 338537475 /nfs/dbraw/zinc/53/74/75/338537475.db2.gz IWEHUGRRNDTXQJ-NSHDSACASA-N 0 3 302.378 3.530 20 5 DHBDHN COC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136904 338596284 /nfs/dbraw/zinc/59/62/84/338596284.db2.gz CUUJDMCPJDQHAD-YOEHRIQHSA-N 0 3 314.385 3.503 20 5 DHBDHN CC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159711 338597864 /nfs/dbraw/zinc/59/78/64/338597864.db2.gz IJXCTCHXXNLZEF-AAEUAGOBSA-N 0 3 305.403 3.723 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@@H](c3cccs3)C2)cs1 ZINC000449620695 338642054 /nfs/dbraw/zinc/64/20/54/338642054.db2.gz FSESCMODPPFECS-NWDGAFQWSA-N 0 3 324.427 3.728 20 5 DHBDHN CN1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000449646199 338644094 /nfs/dbraw/zinc/64/40/94/338644094.db2.gz BAFDOSVZUHLWKK-KRWDZBQOSA-N 0 3 311.385 3.656 20 5 DHBDHN COC1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000453229459 338811156 /nfs/dbraw/zinc/81/11/56/338811156.db2.gz RCDFOYSTVKWKOQ-INIZCTEOSA-N 0 3 304.390 3.521 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453414555 338840483 /nfs/dbraw/zinc/84/04/83/338840483.db2.gz SUZXTTGMYCDSHG-YSVLISHTSA-N 0 3 306.406 3.902 20 5 DHBDHN C[C@H]1CC[C@H](CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624393 338851392 /nfs/dbraw/zinc/85/13/92/338851392.db2.gz CKHHNMZIXGIHQY-SWLSCSKDSA-N 0 3 316.357 3.512 20 5 DHBDHN Cc1ccc(CN[C@H](C)CCc2ccccc2[N+](=O)[O-])nc1C ZINC000459683366 339042961 /nfs/dbraw/zinc/04/29/61/339042961.db2.gz ZWLZWKNLQCWYPL-CQSZACIVSA-N 0 3 313.401 3.718 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2CCC(C(F)F)CC2)c(F)c1 ZINC000459722186 339044282 /nfs/dbraw/zinc/04/42/82/339044282.db2.gz ZVZPGQNCPAVJDQ-UHFFFAOYSA-N 0 3 302.296 3.647 20 5 DHBDHN CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000463495421 339119563 /nfs/dbraw/zinc/11/95/63/339119563.db2.gz ZLDVTMLQDIDBGO-UHFFFAOYSA-N 0 3 310.369 3.897 20 5 DHBDHN COc1cc(CN2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464482906 339143120 /nfs/dbraw/zinc/14/31/20/339143120.db2.gz BIJGWMBBNSXDRA-GFCCVEGCSA-N 0 3 310.369 3.611 20 5 DHBDHN COc1ccccc1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468636080 339267659 /nfs/dbraw/zinc/26/76/59/339267659.db2.gz WWQJGDVUDRCPLA-GXDHUFHOSA-N 0 3 312.369 3.797 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCc1nccs1 ZINC000470175706 339312875 /nfs/dbraw/zinc/31/28/75/339312875.db2.gz RRCADOXNYDLJDG-RAXLEYEMSA-N 0 3 317.414 3.629 20 5 DHBDHN CCOC[C@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174961 339312908 /nfs/dbraw/zinc/31/29/08/339312908.db2.gz OIAINSPEFDPKPC-MJSCBBHESA-N 0 3 318.417 3.747 20 5 DHBDHN CN(CCCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000471803296 339354610 /nfs/dbraw/zinc/35/46/10/339354610.db2.gz GRCNTDUDAHVXFT-UHFFFAOYSA-N 0 3 320.414 3.528 20 5 DHBDHN CCC(=O)c1ccc(N[C@H](C)C(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000480009334 339555284 /nfs/dbraw/zinc/55/52/84/339555284.db2.gz HUFYFPJOHZEZND-GFCCVEGCSA-N 0 3 321.421 3.576 20 5 DHBDHN CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714620 339672420 /nfs/dbraw/zinc/67/24/20/339672420.db2.gz PINVVOZZNKECJY-IAOVAPTHSA-N 0 3 318.417 3.902 20 5 DHBDHN CCOC[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000494230503 339944242 /nfs/dbraw/zinc/94/42/42/339944242.db2.gz KQBFRSWDTRSPBH-LBPRGKRZSA-N 0 3 320.414 3.838 20 5 DHBDHN CCN(CC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000505242980 340164760 /nfs/dbraw/zinc/16/47/60/340164760.db2.gz ROXXHFABOCXNHU-UHFFFAOYSA-N 0 3 304.346 3.705 20 5 DHBDHN CC(C)N(CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506772004 340201387 /nfs/dbraw/zinc/20/13/87/340201387.db2.gz MGWSORFODNAGKU-UHFFFAOYSA-N 0 3 320.414 3.526 20 5 DHBDHN C[C@H](CCc1c(F)cccc1F)NCc1ccccc1[N+](=O)[O-] ZINC000510680933 340306313 /nfs/dbraw/zinc/30/63/13/340306313.db2.gz JSQYNKHJLWFUOO-GFCCVEGCSA-N 0 3 320.339 3.984 20 5 DHBDHN CCC[C@@H](N[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039098 340319095 /nfs/dbraw/zinc/31/90/95/340319095.db2.gz ZBLVYBJYJSVPAT-FUHWJXTLSA-N 0 3 320.433 3.967 20 5 DHBDHN CCOCCN(CC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512250967 340354254 /nfs/dbraw/zinc/35/42/54/340354254.db2.gz FIIDRXZKYPKOKC-UHFFFAOYSA-N 0 3 318.373 3.713 20 5 DHBDHN COCCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512284953 340355421 /nfs/dbraw/zinc/35/54/21/340355421.db2.gz DVJUQRZIIDPLKJ-UHFFFAOYSA-N 0 3 320.414 3.792 20 5 DHBDHN C[C@H](NCC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027904 340389304 /nfs/dbraw/zinc/38/93/04/340389304.db2.gz QTECEUJXHHYLMR-AGLBCWCQSA-N 0 3 322.368 3.835 20 5 DHBDHN CC[C@@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236900419 340666163 /nfs/dbraw/zinc/66/61/63/340666163.db2.gz QILCYERTDDTMPY-LLVKDONJSA-N 0 3 304.346 3.752 20 5 DHBDHN C[C@@H](CNCc1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000237382286 340670520 /nfs/dbraw/zinc/67/05/20/340670520.db2.gz XZJCUVRGARAXDM-LBPRGKRZSA-N 0 3 320.776 3.805 20 5 DHBDHN Cc1c(CNCc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000237603986 340672529 /nfs/dbraw/zinc/67/25/29/340672529.db2.gz LOVYMWBVGKTOFP-UHFFFAOYSA-N 0 3 322.311 3.794 20 5 DHBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000538412178 340822025 /nfs/dbraw/zinc/82/20/25/340822025.db2.gz JJBKAZYEXRIXOV-VBHSOAQHSA-N 0 3 312.369 3.638 20 5 DHBDHN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000538445158 340824118 /nfs/dbraw/zinc/82/41/18/340824118.db2.gz GXTZSNCKGNKSJG-SJCJKPOMSA-N 0 3 318.348 3.600 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOC1CCCCC1 ZINC000539074156 340870606 /nfs/dbraw/zinc/87/06/06/340870606.db2.gz VFPQFXMRWMGQFF-CQSZACIVSA-N 0 3 306.406 3.903 20 5 DHBDHN C[C@H]1OCC[C@]1(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385674 340969106 /nfs/dbraw/zinc/96/91/06/340969106.db2.gz GZUVEFGKSKGMEP-PXAZEXFGSA-N 0 3 316.357 3.512 20 5 DHBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCc1ccccc1O ZINC000543251264 341038396 /nfs/dbraw/zinc/03/83/96/341038396.db2.gz YWZVWEWRJPBTDN-ZDUSSCGKSA-N 0 3 300.358 3.536 20 5 DHBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000135164498 341232559 /nfs/dbraw/zinc/23/25/59/341232559.db2.gz OGMUWGCHWUNECN-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508514 341265029 /nfs/dbraw/zinc/26/50/29/341265029.db2.gz JIPODKRWNVFSGX-XHBSWPGZSA-N 0 3 314.389 3.624 20 5 DHBDHN COc1cc(C)ccc1[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000548710081 341270120 /nfs/dbraw/zinc/27/01/20/341270120.db2.gz WVVBFCINRMFYEN-CQSZACIVSA-N 0 3 314.385 3.805 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000245383755 341290180 /nfs/dbraw/zinc/29/01/80/341290180.db2.gz RHNORRUFCPBXTA-RHSMWYFYSA-N 0 3 311.385 3.842 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000245516659 341298777 /nfs/dbraw/zinc/29/87/77/341298777.db2.gz FZQDLUUTFKHVGV-DAYGRLMNSA-N 0 3 318.417 3.591 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@](CO)(C(C)C)C1 ZINC000550063119 341309303 /nfs/dbraw/zinc/30/93/03/341309303.db2.gz GGPUTEGRWGOJLK-MAUKXSAKSA-N 0 3 320.433 3.695 20 5 DHBDHN CCOc1cc(CN2CC[C@@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000550409484 341316462 /nfs/dbraw/zinc/31/64/62/341316462.db2.gz JRMXUJLFNBCFLC-HNNXBMFYSA-N 0 3 304.390 3.616 20 5 DHBDHN Cc1c([C@@H](C)NCC2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000552333937 341387223 /nfs/dbraw/zinc/38/72/23/341387223.db2.gz STPUKKSKDOICGH-SNVBAGLBSA-N 0 3 302.296 3.896 20 5 DHBDHN CC[C@@H](NCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315600887 517773955 /nfs/dbraw/zinc/77/39/55/517773955.db2.gz TVOMJPJDTURDIV-QGZVFWFLSA-N 0 3 306.406 3.985 20 5 DHBDHN CCCCN(CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131855330 520482031 /nfs/dbraw/zinc/48/20/31/520482031.db2.gz VAEIUGYKBCSUEF-LBPRGKRZSA-N 0 3 318.377 3.828 20 5 DHBDHN CCOc1ccc([C@H](C)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000152560625 521258262 /nfs/dbraw/zinc/25/82/62/521258262.db2.gz ZUXYKGSAKDYJRT-ZDUSSCGKSA-N 0 3 300.358 3.844 20 5 DHBDHN COC1(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000339046026 522587380 /nfs/dbraw/zinc/58/73/80/522587380.db2.gz ZGAVSHFTYIEPSO-UHFFFAOYSA-N 0 3 304.390 3.518 20 5 DHBDHN COCc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643461 522992675 /nfs/dbraw/zinc/99/26/75/522992675.db2.gz UQMRLCWKPLSVML-ZDUSSCGKSA-N 0 3 300.358 3.592 20 5 DHBDHN CO[C@@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000191144945 523418319 /nfs/dbraw/zinc/41/83/19/523418319.db2.gz OLZCJUSKINWYIT-JTQLQIEISA-N 0 3 324.764 3.633 20 5 DHBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000268902712 525368630 /nfs/dbraw/zinc/36/86/30/525368630.db2.gz CZRROKSBZSWNKZ-NSHDSACASA-N 0 3 305.765 3.537 20 5 DHBDHN C[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776860 525477874 /nfs/dbraw/zinc/47/78/74/525477874.db2.gz BVOHDLAQGYOKNP-WBMJQRKESA-N 0 3 319.430 3.610 20 5 DHBDHN C[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846568 525496664 /nfs/dbraw/zinc/49/66/64/525496664.db2.gz IBAMTLMAERKERP-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000266887510 525600345 /nfs/dbraw/zinc/60/03/45/525600345.db2.gz QLRIKOZYOIOEFT-QWHCGFSZSA-N 0 3 300.358 3.582 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2CCCO2)CC1 ZINC000189249481 526090013 /nfs/dbraw/zinc/09/00/13/526090013.db2.gz VWNSOCZWFPHKEW-KSSFIOAISA-N 0 3 318.417 3.855 20 5 DHBDHN Cc1csc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181613983 526416757 /nfs/dbraw/zinc/41/67/57/526416757.db2.gz HLOZSRJRQLHFCR-HNNXBMFYSA-N 0 3 317.414 3.643 20 5 DHBDHN COc1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301322 536902135 /nfs/dbraw/zinc/90/21/35/536902135.db2.gz YPWYDDJLTVCXPQ-RYUDHWBXSA-N 0 3 315.373 3.597 20 5 DHBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000517736055 1013054133 /nfs/dbraw/zinc/05/41/33/1013054133.db2.gz FPRJVBYVXZNZBD-CJNGLKHVSA-N 0 3 324.808 3.639 20 5 DHBDHN O=[N+]([O-])c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000610245698 1013151494 /nfs/dbraw/zinc/15/14/94/1013151494.db2.gz OANWPZGTLLTWRT-AWEZNQCLSA-N 0 3 317.414 3.905 20 5 DHBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1N(C(=N)N)c1ccc(F)cc1 ZINC001167990848 1013751638 /nfs/dbraw/zinc/75/16/38/1013751638.db2.gz AGUCNVXKCZMAMW-UHFFFAOYSA-N 0 3 316.336 3.691 20 5 DHBDHN CC1(C)CC[C@@H]1NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000579489827 1014065166 /nfs/dbraw/zinc/06/51/66/1014065166.db2.gz DRURTFSTJMAUMS-AWEZNQCLSA-N 0 3 301.346 3.528 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000275910319 1014208263 /nfs/dbraw/zinc/20/82/63/1014208263.db2.gz XACAPSPVJROUKT-CXAGYDPISA-N 0 3 304.390 3.547 20 5 DHBDHN CCCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000323054013 1014527019 /nfs/dbraw/zinc/52/70/19/1014527019.db2.gz IJWZYJFFIIKYFR-UHFFFAOYSA-N 0 3 314.385 3.982 20 5 DHBDHN C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276240137 1014893436 /nfs/dbraw/zinc/89/34/36/1014893436.db2.gz UMPTYEFOZJGVDI-TUAOUCFPSA-N 0 3 316.361 3.579 20 5 DHBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CN1Cc1ccccc1 ZINC000610709513 1014896856 /nfs/dbraw/zinc/89/68/56/1014896856.db2.gz VDWRHFMMYWTTLC-TZMCWYRMSA-N 0 3 317.414 3.731 20 5 DHBDHN Cc1[nH]c2ccc(CNCc3cccc([N+](=O)[O-])c3)cc2c1C ZINC000065013600 1015416008 /nfs/dbraw/zinc/41/60/08/1015416008.db2.gz PQXJMBMZRJYYAS-UHFFFAOYSA-N 0 3 309.369 3.983 20 5 DHBDHN CC(C)c1ccc(CN2CC[C@@H](C)C[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000443774517 1015601269 /nfs/dbraw/zinc/60/12/69/1015601269.db2.gz AHNMELZSDZIONO-JKIFEVAISA-N 0 3 320.433 3.700 20 5 DHBDHN Cc1c([C@H](C)NCc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000119879536 1016401076 /nfs/dbraw/zinc/40/10/76/1016401076.db2.gz XBXGPEKHTLBEKU-AWEZNQCLSA-N 0 3 313.401 3.820 20 5 DHBDHN O=[N+]([O-])c1ccc(CNC2(Cc3ccccc3)CC2)c(F)c1 ZINC000479421159 1016949433 /nfs/dbraw/zinc/94/94/33/1016949433.db2.gz IYXAMDDCGUQUGS-UHFFFAOYSA-N 0 3 300.333 3.599 20 5 DHBDHN Cc1c2ccccc2n(C)c1CNCc1ccc([N+](=O)[O-])cc1C ZINC000475199127 1017077619 /nfs/dbraw/zinc/07/76/19/1017077619.db2.gz SDKVQVJXCPKLSV-UHFFFAOYSA-N 0 3 323.396 3.993 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOC[C@@H](C2CCC2)C1 ZINC000515184688 1012571271 /nfs/dbraw/zinc/57/12/71/1012571271.db2.gz IJPCXCGUVFJWTL-ZBFHGGJFSA-N 0 3 318.417 3.713 20 5 DHBDHN O=[N+]([O-])c1ccc2oc(CNCC3CCC=CCC3)nc2c1 ZINC000897244518 1017196643 /nfs/dbraw/zinc/19/66/43/1017196643.db2.gz GPQYHTLCSSBDGS-UHFFFAOYSA-N 0 3 301.346 3.572 20 5 DHBDHN C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959327 1017560195 /nfs/dbraw/zinc/56/01/95/1017560195.db2.gz SDZIHUNHBWPZPE-XVKPBYJWSA-N 0 3 321.229 3.885 20 5 DHBDHN CC(C)(C)C[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444611578 1017588427 /nfs/dbraw/zinc/58/84/27/1017588427.db2.gz QSBQUCHOQDZMJQ-CYBMUJFWSA-N 0 3 316.405 3.872 20 5 DHBDHN CCC[C@@H](C)[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652760 1017606564 /nfs/dbraw/zinc/60/65/64/1017606564.db2.gz KCDVPQGGMZGSOM-WBMJQRKESA-N 0 3 316.405 3.872 20 5 DHBDHN COc1ccc(CN2CCC[C@@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000523707818 1017764372 /nfs/dbraw/zinc/76/43/72/1017764372.db2.gz VCXLUSUNAWDMDI-OAHLLOKOSA-N 0 3 306.406 3.862 20 5 DHBDHN Cc1c(CN2CCC(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000153632957 1017914826 /nfs/dbraw/zinc/91/48/26/1017914826.db2.gz LIHAJZQYVNZMIB-UHFFFAOYSA-N 0 3 318.417 3.542 20 5 DHBDHN CO[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457103 1018217187 /nfs/dbraw/zinc/21/71/87/1018217187.db2.gz JKLDAYVCOOLMTL-YVEFUNNKSA-N 0 3 318.348 3.772 20 5 DHBDHN CCC[C@]1(COC)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000447068315 1018321775 /nfs/dbraw/zinc/32/17/75/1018321775.db2.gz OIRNWJRHMBVTTN-MRXNPFEDSA-N 0 3 310.369 3.515 20 5 DHBDHN C[C@@H](C1CCCCC1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447384462 1018384170 /nfs/dbraw/zinc/38/41/70/1018384170.db2.gz MLPOQRIDNMTGCM-LBPRGKRZSA-N 0 3 316.405 3.872 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2nc(CNCC3CCC3)cs2)c1 ZINC000172116047 1019084997 /nfs/dbraw/zinc/08/49/97/1019084997.db2.gz QKUVSBZOEZWSTR-UHFFFAOYSA-N 0 3 303.387 3.608 20 5 DHBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411629 1019476222 /nfs/dbraw/zinc/47/62/22/1019476222.db2.gz GKXMLSGOKYZQPM-JSGCOSHPSA-N 0 3 317.414 3.904 20 5 DHBDHN Cc1ccc([C@@H](C)NCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000611442196 1019488509 /nfs/dbraw/zinc/48/85/09/1019488509.db2.gz MUEXKOMBPPQLKT-GFCCVEGCSA-N 0 3 310.357 3.630 20 5 DHBDHN Cc1c(CN(C)CCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000731669736 1020133729 /nfs/dbraw/zinc/13/37/29/1020133729.db2.gz MEVMVJBULIINRG-UHFFFAOYSA-N 0 3 302.349 3.717 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000179799555 1020447771 /nfs/dbraw/zinc/44/77/71/1020447771.db2.gz OMXYFQVOPUQYNN-UHFFFAOYSA-N 0 3 300.305 3.571 20 5 DHBDHN CC(C)(CC(F)(F)F)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000614822472 1020469180 /nfs/dbraw/zinc/46/91/80/1020469180.db2.gz QNQYIDIBXJJOHW-ALCCZGGFSA-N 0 3 302.296 3.929 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCC=CO3)o2)c1 ZINC000780566000 1020509231 /nfs/dbraw/zinc/50/92/31/1020509231.db2.gz HKOHBLFXJRSTKG-OAHLLOKOSA-N 0 3 314.341 3.637 20 5 DHBDHN COc1cccc(F)c1[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123194716 1020579425 /nfs/dbraw/zinc/57/94/25/1020579425.db2.gz FCLNHKANBNOJFH-LBPRGKRZSA-N 0 3 318.348 3.636 20 5 DHBDHN C[C@H]1C[C@@H]1c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740459 1020855003 /nfs/dbraw/zinc/85/50/03/1020855003.db2.gz PJKPUUWVJXUHDI-BBRMVZONSA-N 0 3 314.385 3.986 20 5 DHBDHN CCC(CC)N(CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000581274371 1020878783 /nfs/dbraw/zinc/87/87/83/1020878783.db2.gz GUEVNZXDCZIKHA-UHFFFAOYSA-N 0 3 318.377 3.655 20 5 DHBDHN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173232078 1020905343 /nfs/dbraw/zinc/90/53/43/1020905343.db2.gz GUTWWOVCKDAEHG-SGTLLEGYSA-N 0 3 312.369 3.942 20 5 DHBDHN O=[N+]([O-])c1ccc2[nH]c(CN(C3CC3)C3CCCCC3)nc2c1 ZINC000618275011 1021341312 /nfs/dbraw/zinc/34/13/12/1021341312.db2.gz LMISSINVRJQXHY-UHFFFAOYSA-N 0 3 314.389 3.768 20 5 DHBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H]1CCCC(F)(F)C1 ZINC000695083830 1021507200 /nfs/dbraw/zinc/50/72/00/1021507200.db2.gz YFKADBVYNPGZNE-NSHDSACASA-N 0 3 304.724 3.916 20 5 DHBDHN CN(C)[C@H]1CCOc2c(Nc3sccc3[N+](=O)[O-])cccc21 ZINC000618983952 1021605809 /nfs/dbraw/zinc/60/58/09/1021605809.db2.gz GZHCXURILXTJBI-LBPRGKRZSA-N 0 3 319.386 3.785 20 5 DHBDHN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCCC12CCOCC2 ZINC000337447503 1032999931 /nfs/dbraw/zinc/99/99/31/1032999931.db2.gz RAZKERHUDVFEFT-OAHLLOKOSA-N 0 3 324.808 3.687 20 5 DHBDHN CO[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC001168849170 1022161060 /nfs/dbraw/zinc/16/10/60/1022161060.db2.gz WHDANYYHAHIFJP-SFHVURJKSA-N 0 3 318.417 3.764 20 5 DHBDHN COCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000609705197 1022336246 /nfs/dbraw/zinc/33/62/46/1022336246.db2.gz DWBANCZDINUZRS-UHFFFAOYSA-N 0 3 312.797 3.639 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc2ccccc2n1 ZINC000538388350 1033048131 /nfs/dbraw/zinc/04/81/31/1033048131.db2.gz ZWEKYJKWGIYQPX-VMPITWQZSA-N 0 3 319.364 3.946 20 5 DHBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000195666909 1022401564 /nfs/dbraw/zinc/40/15/64/1022401564.db2.gz WASVFEWCECDWBE-VXGBXAGGSA-N 0 3 311.813 3.781 20 5 DHBDHN CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184366320 1022845395 /nfs/dbraw/zinc/84/53/95/1022845395.db2.gz WQCUFKRPVCOMSU-AWEZNQCLSA-N 0 3 305.403 3.643 20 5 DHBDHN CCN(CCc1ccccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768543026 1022985962 /nfs/dbraw/zinc/98/59/62/1022985962.db2.gz VHXSDBOJFNBVEM-UHFFFAOYSA-N 0 3 319.792 3.708 20 5 DHBDHN COC[C@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769459538 1023159924 /nfs/dbraw/zinc/15/99/24/1023159924.db2.gz GDNODLXLUGMVIY-GOSISDBHSA-N 0 3 321.420 3.840 20 5 DHBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](N2CCCCC2)C1 ZINC000770097441 1023274320 /nfs/dbraw/zinc/27/43/20/1023274320.db2.gz TXFBDFAMJLUHDS-ZDUSSCGKSA-N 0 3 323.824 3.621 20 5 DHBDHN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000113314780 1024798592 /nfs/dbraw/zinc/79/85/92/1024798592.db2.gz BSIQMOHSLPZJOU-SNVBAGLBSA-N 0 3 303.387 3.606 20 5 DHBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2c2ccsc2)c1 ZINC000269694182 1025009098 /nfs/dbraw/zinc/00/90/98/1025009098.db2.gz WGJREWZSSFLUMJ-HOTGVXAUSA-N 0 3 318.398 3.527 20 5 DHBDHN CCCCOCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134912798 1025139724 /nfs/dbraw/zinc/13/97/24/1025139724.db2.gz GFYLKWJNBWJXGP-UHFFFAOYSA-N 0 3 300.786 3.545 20 5 DHBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000885983905 1025427051 /nfs/dbraw/zinc/42/70/51/1025427051.db2.gz STQDCJDQSPNIRZ-MRXNPFEDSA-N 0 3 311.385 3.760 20 5 DHBDHN Cc1ccccc1[C@H]1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014093 1025438835 /nfs/dbraw/zinc/43/88/35/1025438835.db2.gz BWHGTUSGCIDNSU-HOCLYGCPSA-N 0 3 311.385 3.676 20 5 DHBDHN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000356274852 1026004255 /nfs/dbraw/zinc/00/42/55/1026004255.db2.gz RYMUGHXQOVMPLQ-YVEFUNNKSA-N 0 3 318.348 3.600 20 5 DHBDHN CC(C)CC1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000808779778 1026390767 /nfs/dbraw/zinc/39/07/67/1026390767.db2.gz AGFZRJZOBSQHCK-KRWDZBQOSA-N 0 3 320.433 3.776 20 5 DHBDHN Cc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421849262 1027077051 /nfs/dbraw/zinc/07/70/51/1027077051.db2.gz BQMNYPKFOIERSF-GOSISDBHSA-N 0 3 311.385 3.774 20 5 DHBDHN C[C@@H]1C[C@H]1c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000575929985 1027529727 /nfs/dbraw/zinc/52/97/27/1027529727.db2.gz YMEFHKYIYGIGSG-CXAGYDPISA-N 0 3 314.385 3.986 20 5 DHBDHN CC(COC(=O)c1ccccc1Sc1ccccc1)[N+](=O)[O-] ZINC000813113087 1027535147 /nfs/dbraw/zinc/53/51/47/1027535147.db2.gz ANQNVHMPSZDWQP-LBPRGKRZSA-N 0 3 317.366 3.660 20 5 DHBDHN C/C(=C/c1c(Cl)cccc1Cl)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107407 1027535510 /nfs/dbraw/zinc/53/55/10/1027535510.db2.gz QIAGGVGXHBDQCC-JGAIRUGNSA-N 0 3 318.156 3.605 20 5 DHBDHN CCCOC1(CNCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000577104572 1027707578 /nfs/dbraw/zinc/70/75/78/1027707578.db2.gz NNQHYFQDHSMAQE-UHFFFAOYSA-N 0 3 312.435 3.875 20 5 DHBDHN CC(C)c1ccc(CN2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000448361129 1027755636 /nfs/dbraw/zinc/75/56/36/1027755636.db2.gz VWWGJIGLTGOWPT-ZBFHGGJFSA-N 0 3 320.433 3.844 20 5 DHBDHN Cc1ccc2[nH]c(CN[C@H](C)Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000449168826 1028412318 /nfs/dbraw/zinc/41/23/18/1028412318.db2.gz BQDWLATWRRRUBQ-CYBMUJFWSA-N 0 3 324.384 3.500 20 5 DHBDHN Cc1ccc2nc(CN[C@H](C)Cc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000449168826 1028412322 /nfs/dbraw/zinc/41/23/22/1028412322.db2.gz BQDWLATWRRRUBQ-CYBMUJFWSA-N 0 3 324.384 3.500 20 5 DHBDHN CC(C)c1csc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449193729 1028433354 /nfs/dbraw/zinc/43/33/54/1028433354.db2.gz NTCOUJCEUDGDPD-GFCCVEGCSA-N 0 3 319.430 3.896 20 5 DHBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C/C=C/c3ccncc3)C2)cc1 ZINC000449496267 1028708419 /nfs/dbraw/zinc/70/84/19/1028708419.db2.gz GLONTQKYXYMCKX-FVIAUOKHSA-N 0 3 323.396 3.883 20 5 DHBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000042096653 1028894879 /nfs/dbraw/zinc/89/48/79/1028894879.db2.gz JFMPFETXCWKPCS-ZDUSSCGKSA-N 0 3 309.366 3.510 20 5 DHBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cnc(C2CC2)o1 ZINC000449706645 1028927615 /nfs/dbraw/zinc/92/76/15/1028927615.db2.gz NZUMLTTXLRRIKT-GFCCVEGCSA-N 0 3 315.373 3.571 20 5 DHBDHN C[C@H]1C[C@@H](C(F)(F)F)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412478 1029870539 /nfs/dbraw/zinc/87/05/39/1029870539.db2.gz WRDJUKOEVREVJV-AAEUAGOBSA-N 0 3 316.323 3.800 20 5 DHBDHN COc1cc(CN[C@H]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000451452636 1029877151 /nfs/dbraw/zinc/87/71/51/1029877151.db2.gz DQIOCWPUYCYIFE-HNNXBMFYSA-N 0 3 308.353 3.555 20 5 DHBDHN Cc1c(CN2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451965983 1030071526 /nfs/dbraw/zinc/07/15/26/1030071526.db2.gz NURPOLVXXQCXLV-MRXNPFEDSA-N 0 3 306.431 3.622 20 5 DHBDHN CCc1nc(C)c(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000291941768 1030712358 /nfs/dbraw/zinc/71/23/58/1030712358.db2.gz PVFKDGSXKNIRBU-LBPRGKRZSA-N 0 3 317.389 3.565 20 5 DHBDHN COc1ccc(CN2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292247 1030891674 /nfs/dbraw/zinc/89/16/74/1030891674.db2.gz DPBFHBJDNSHZFQ-SUMWQHHRSA-N 0 3 304.390 3.616 20 5 DHBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000078613019 1031007354 /nfs/dbraw/zinc/00/73/54/1031007354.db2.gz MCEDOGOZNDRSSG-HNNXBMFYSA-N 0 3 303.362 3.683 20 5 DHBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCS[C@@H]2CCCC[C@H]21 ZINC000536696462 1031399443 /nfs/dbraw/zinc/39/94/43/1031399443.db2.gz WZGXBKCQQYYHKI-BJESKFFQSA-N 0 3 318.442 3.968 20 5 DHBDHN COCCC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000872044800 1031430783 /nfs/dbraw/zinc/43/07/83/1031430783.db2.gz WJVRUMWBOCNJLT-CYBMUJFWSA-N 0 3 324.396 3.981 20 5 DHBDHN COCCC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000872044801 1031431847 /nfs/dbraw/zinc/43/18/47/1031431847.db2.gz WJVRUMWBOCNJLT-ZDUSSCGKSA-N 0 3 324.396 3.981 20 5 DHBDHN Cc1csc([C@@H](C)CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062425 1031457195 /nfs/dbraw/zinc/45/71/95/1031457195.db2.gz MQJCVXCRPDHVFX-ONGXEEELSA-N 0 3 323.393 3.953 20 5 DHBDHN C[C@@H](NC[C@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080539 1031476308 /nfs/dbraw/zinc/47/63/08/1031476308.db2.gz RIUYJKBPQYYFJN-VXGBXAGGSA-N 0 3 324.421 3.918 20 5 DHBDHN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000872079979 1031477127 /nfs/dbraw/zinc/47/71/27/1031477127.db2.gz RBWQUDXIWQGRCI-IUCAKERBSA-N 0 3 308.275 3.973 20 5 DHBDHN C[C@H](NC[C@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091167 1031487462 /nfs/dbraw/zinc/48/74/62/1031487462.db2.gz GATNDSUQMPMFDP-QWHCGFSZSA-N 0 3 322.380 3.591 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872260330 1031563317 /nfs/dbraw/zinc/56/33/17/1031563317.db2.gz MIXXLXARLOVYKY-QGZVFWFLSA-N 0 3 304.390 3.518 20 5 DHBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1C1CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875312 1031748850 /nfs/dbraw/zinc/74/88/50/1031748850.db2.gz BBUGCOVQCUQGLO-FTOGJNOLSA-N 0 3 321.348 3.511 20 5 DHBDHN CC([C@H](OC(=O)C1=CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877398 1031750320 /nfs/dbraw/zinc/75/03/20/1031750320.db2.gz PMSWQVWOGXHTKO-ABAIWWIYSA-N 0 3 307.321 3.576 20 5 DHBDHN CCC[C@@H]1C[C@H]1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876999 1031751863 /nfs/dbraw/zinc/75/18/63/1031751863.db2.gz CVHVSEWJVVRPBR-FMVNMVDZSA-N 0 3 309.337 3.511 20 5 DHBDHN CC([C@H](OC(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845877523 1031752304 /nfs/dbraw/zinc/75/23/04/1031752304.db2.gz QBXBNHYJVLAVHV-YXMPFFBPSA-N 0 3 309.337 3.511 20 5 DHBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000877615127 1033383210 /nfs/dbraw/zinc/38/32/10/1033383210.db2.gz QVEWFABLLYTMSO-OAHLLOKOSA-N 0 3 310.344 3.833 20 5 DHBDHN CC[C@@H](C)CN(CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878164309 1033603098 /nfs/dbraw/zinc/60/30/98/1033603098.db2.gz IWOXXPRGTPZVFK-GFCCVEGCSA-N 0 3 318.377 3.513 20 5 DHBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccc(Cl)nc1 ZINC001173232466 1033608911 /nfs/dbraw/zinc/60/89/11/1033608911.db2.gz GXJHIMXWLGPXRX-GFCCVEGCSA-N 0 3 319.792 3.706 20 5 DHBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880535450 1034350934 /nfs/dbraw/zinc/35/09/34/1034350934.db2.gz CPZVCYHZKFPPBF-JVPBZIDWSA-N 0 3 324.380 3.563 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(OC2CCCC2)CC1 ZINC000183311836 1034374183 /nfs/dbraw/zinc/37/41/83/1034374183.db2.gz HZZFZWISJHLEDN-UHFFFAOYSA-N 0 3 318.417 3.827 20 5 DHBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CC1(C)C ZINC001174908273 1034673927 /nfs/dbraw/zinc/67/39/27/1034673927.db2.gz YAXMDFLYEVTMFH-CQSZACIVSA-N 0 3 306.406 3.860 20 5 DHBDHN C[C@@H]1[C@@H](C(F)(F)F)CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768366 1034969425 /nfs/dbraw/zinc/96/94/25/1034969425.db2.gz MNZHOGHAZULYKR-RISCZKNCSA-N 0 3 316.323 3.800 20 5 DHBDHN CC(C)N(CCc1nccs1)Cc1ccccc1[N+](=O)[O-] ZINC000159757466 1035087185 /nfs/dbraw/zinc/08/71/85/1035087185.db2.gz BKOMHUYKZINLJR-UHFFFAOYSA-N 0 3 305.403 3.504 20 5 DHBDHN O=[N+]([O-])c1ccc(OCCNCc2cc(Cl)ccc2F)cc1 ZINC001177683827 1035386911 /nfs/dbraw/zinc/38/69/11/1035386911.db2.gz WPYDBJZEAXUDBJ-UHFFFAOYSA-N 0 3 324.739 3.556 20 5 DHBDHN CO[C@H](CNCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000539513246 1035759108 /nfs/dbraw/zinc/75/91/08/1035759108.db2.gz RVWBLCRVHVHMCC-MRXNPFEDSA-N 0 3 320.776 3.726 20 5 DHBDHN CC(C)(NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000539528404 1035769740 /nfs/dbraw/zinc/76/97/40/1035769740.db2.gz APDRACKFIOOWRB-UHFFFAOYSA-N 0 3 317.414 3.997 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](OCC2CC2)C1 ZINC000494704449 1035772227 /nfs/dbraw/zinc/77/22/27/1035772227.db2.gz SEGYXWUZEQTRMZ-PBHICJAKSA-N 0 3 318.417 3.855 20 5 DHBDHN CCc1cnccc1[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000540651414 1036125235 /nfs/dbraw/zinc/12/52/35/1036125235.db2.gz AHYOKRVTGOYLFZ-OWNNVSBGSA-N 0 3 311.385 3.916 20 5 DHBDHN C[C@H](CNCc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001203864271 1036657417 /nfs/dbraw/zinc/65/74/17/1036657417.db2.gz LCYKBCZEZHLJQE-LLVKDONJSA-N 0 3 306.312 3.766 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC1([C@@H]2CCCCO2)CCC1 ZINC001197221506 1036712966 /nfs/dbraw/zinc/71/29/66/1036712966.db2.gz RFXWLJDATHTDGD-HNNXBMFYSA-N 0 3 324.808 3.830 20 5 DHBDHN CCOc1cc(CN2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000492556455 1036917788 /nfs/dbraw/zinc/91/77/88/1036917788.db2.gz FZBPVPQNXHIZND-CQSZACIVSA-N 0 3 324.446 3.711 20 5 DHBDHN CCOc1cc(CN(C)CCc2cccs2)ccc1[N+](=O)[O-] ZINC000492629341 1036946919 /nfs/dbraw/zinc/94/69/19/1036946919.db2.gz JUBOOCSQWGQMJW-UHFFFAOYSA-N 0 3 320.414 3.730 20 5 DHBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488431072 1037018384 /nfs/dbraw/zinc/01/83/84/1037018384.db2.gz KIDMOPAISYBWTD-SWLSCSKDSA-N 0 3 324.446 3.613 20 5 DHBDHN CC(C)[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538763 1037063743 /nfs/dbraw/zinc/06/37/43/1037063743.db2.gz DAYFYAQCVGPAGV-RISCZKNCSA-N 0 3 314.838 3.868 20 5 DHBDHN C[C@H]1CCC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774906717 1037200053 /nfs/dbraw/zinc/20/00/53/1037200053.db2.gz YEAXUJGGECHDKG-RYUDHWBXSA-N 0 3 307.350 3.514 20 5 DHBDHN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2ccccc2C1 ZINC000490400243 1037707410 /nfs/dbraw/zinc/70/74/10/1037707410.db2.gz LZADOAJVEZRIQK-INIZCTEOSA-N 0 3 314.360 3.723 20 5 DHBDHN O=[N+]([O-])c1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055102658 1038033797 /nfs/dbraw/zinc/03/37/97/1038033797.db2.gz PTTNCDBYLQLAOJ-UHFFFAOYSA-N 0 3 312.369 3.680 20 5 DHBDHN CC[C@H](C)N[C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067106 1038224818 /nfs/dbraw/zinc/22/48/18/1038224818.db2.gz TXZYQDVJOGTZHZ-WDEREUQCSA-N 0 3 309.391 3.791 20 5 DHBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC(C)(C)CO1 ZINC001190529403 1038337885 /nfs/dbraw/zinc/33/78/85/1038337885.db2.gz SIMBGNOFZYJTCM-INIZCTEOSA-N 0 3 306.406 3.620 20 5 DHBDHN Cc1ccnc([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000572131883 1038339390 /nfs/dbraw/zinc/33/93/90/1038339390.db2.gz QYUAECRCHXIQQY-INIZCTEOSA-N 0 3 311.385 3.596 20 5 DHBDHN Cc1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199931 1038449203 /nfs/dbraw/zinc/44/92/03/1038449203.db2.gz NPLXEGQBYGPFOE-DOTOQJQBSA-N 0 3 318.417 3.542 20 5 DHBDHN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cccc([N+](=O)[O-])c1 ZINC001191744086 1038540722 /nfs/dbraw/zinc/54/07/22/1038540722.db2.gz YJPCMWJIDNJDDP-HOTGVXAUSA-N 0 3 306.406 3.620 20 5 DHBDHN CC[C@@H](OCCNCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593664455 1038998399 /nfs/dbraw/zinc/99/83/99/1038998399.db2.gz NUXJVUGAFJGUHQ-GOSISDBHSA-N 0 3 314.385 3.852 20 5 DHBDHN C[C@H](c1ccccc1F)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894838 1039216208 /nfs/dbraw/zinc/21/62/08/1039216208.db2.gz ZBBLPTYLNVQKOQ-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCCCS2)c1 ZINC000157916544 1039680809 /nfs/dbraw/zinc/68/08/09/1039680809.db2.gz UZUPAXJNVBXGIX-LBPRGKRZSA-N 0 3 300.811 3.624 20 5 DHBDHN COc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1C ZINC000594502015 1039804732 /nfs/dbraw/zinc/80/47/32/1039804732.db2.gz BCWPRHGJBIDRRV-MRXNPFEDSA-N 0 3 312.369 3.689 20 5 DHBDHN C[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(F)F ZINC000594986005 1040001490 /nfs/dbraw/zinc/00/14/90/1040001490.db2.gz RMZCCBXARWMXPQ-HNNXBMFYSA-N 0 3 322.311 3.990 20 5 DHBDHN CCOC1(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000595039670 1040045433 /nfs/dbraw/zinc/04/54/33/1040045433.db2.gz VEDGFQDZYCYATN-CYBMUJFWSA-N 0 3 322.405 3.603 20 5 DHBDHN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000595046207 1040048217 /nfs/dbraw/zinc/04/82/17/1040048217.db2.gz JUNAUGIXZSUWEJ-VBNZEHGJSA-N 0 3 322.405 3.602 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054317 1040054688 /nfs/dbraw/zinc/05/46/88/1040054688.db2.gz ZQCUWTIHPFHCKK-APHBMKBZSA-N 0 3 322.405 3.602 20 5 DHBDHN O=[N+]([O-])c1ccccc1OCCN1CC2CC1(c1ccccc1)C2 ZINC000595909982 1040272129 /nfs/dbraw/zinc/27/21/29/1040272129.db2.gz FRJCPDGWHZYAPJ-UHFFFAOYSA-N 0 3 324.380 3.595 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CC1=CCSC1 ZINC000597246517 1040710454 /nfs/dbraw/zinc/71/04/54/1040710454.db2.gz VSNMXUZLRFOVJL-MDWZMJQESA-N 0 3 304.415 3.603 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCC[C@@H]1CCc2ccccc2N1 ZINC000593318596 1040717131 /nfs/dbraw/zinc/71/71/31/1040717131.db2.gz PUZIQHWOJYDQAK-INIZCTEOSA-N 0 3 311.385 3.501 20 5 DHBDHN O=[N+]([O-])c1sc(CN[C@H]2CC=CCC2)cc1Br ZINC000602551995 1041092514 /nfs/dbraw/zinc/09/25/14/1041092514.db2.gz MFAPBGBZTYVORL-QMMMGPOBSA-N 0 3 317.208 3.617 20 5 DHBDHN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1 ZINC000142689505 186032209 /nfs/dbraw/zinc/03/22/09/186032209.db2.gz ACSPAYSNGBQDFG-UHFFFAOYSA-N 0 3 312.369 3.638 20 5 DHBDHN Cc1cccc([C@@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000271745111 129953966 /nfs/dbraw/zinc/95/39/66/129953966.db2.gz DITISDSGSNHWPD-KDOFPFPSSA-N 0 3 314.385 3.596 20 5 DHBDHN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H](C)c1nccs1 ZINC000273109160 130091027 /nfs/dbraw/zinc/09/10/27/130091027.db2.gz XBXPNBSADARDOF-NWDGAFQWSA-N 0 3 305.403 3.848 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CCOCC2)CC1 ZINC000284695244 131104518 /nfs/dbraw/zinc/10/45/18/131104518.db2.gz HSDRHDLPMREPIH-HNNXBMFYSA-N 0 3 318.417 3.857 20 5 DHBDHN C[C@H](NCc1ccc(C(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285225208 131148764 /nfs/dbraw/zinc/14/87/64/131148764.db2.gz OZZPYJVHNGMVEA-JTQLQIEISA-N 0 3 321.327 3.965 20 5 DHBDHN C[C@H](NC[C@H](c1cccs1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122144624 132161860 /nfs/dbraw/zinc/16/18/60/132161860.db2.gz SEBZTRNQMQZBMB-SWLSCSKDSA-N 0 3 319.430 3.610 20 5 DHBDHN COC[C@H](C)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180245614 331564754 /nfs/dbraw/zinc/56/47/54/331564754.db2.gz IWTANVLRWUENDW-RDTXWAMCSA-N 0 3 314.385 3.556 20 5 DHBDHN C[C@@H](NCc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000079724032 331682992 /nfs/dbraw/zinc/68/29/92/331682992.db2.gz DRKNLBCKAKMQAA-CYBMUJFWSA-N 0 3 307.353 3.994 20 5 DHBDHN O=[N+]([O-])c1cccc2c1CCN(c1ccnc3ccccc31)C2 ZINC000533801560 331698204 /nfs/dbraw/zinc/69/82/04/331698204.db2.gz YUBYTUCOJLZABD-UHFFFAOYSA-N 0 3 305.337 3.706 20 5 DHBDHN CCOCC(C)(C)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000559321581 332024846 /nfs/dbraw/zinc/02/48/46/332024846.db2.gz GUNIHNYENLCCIY-UHFFFAOYSA-N 0 3 318.373 3.760 20 5 DHBDHN C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381034 332376324 /nfs/dbraw/zinc/37/63/24/332376324.db2.gz SLINLCBVHCFJAK-WCQYABFASA-N 0 3 318.398 3.590 20 5 DHBDHN Cc1c(CN[C@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000318136501 332609559 /nfs/dbraw/zinc/60/95/59/332609559.db2.gz DPIVALBMSNTIMA-INIZCTEOSA-N 0 3 300.333 3.819 20 5 DHBDHN CCO[C@H]1C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330214 333034373 /nfs/dbraw/zinc/03/43/73/333034373.db2.gz ZDQYTAUIYMTQTC-ZFWWWQNUSA-N 0 3 318.398 3.590 20 5 DHBDHN C[C@H](NC[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341663 333072525 /nfs/dbraw/zinc/07/25/25/333072525.db2.gz KCPMIQYLIJIGDE-MEDUHNTESA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183989423 333190775 /nfs/dbraw/zinc/19/07/75/333190775.db2.gz BDWOMHGPKLWEFU-RYUDHWBXSA-N 0 3 305.403 3.848 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H](C)S[C@@H](C)C1 ZINC000526063204 333390451 /nfs/dbraw/zinc/39/04/51/333390451.db2.gz QDAXVEIQMDNKKN-DUYRLRNSSA-N 0 3 306.431 3.824 20 5 DHBDHN COCCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152092702 333605280 /nfs/dbraw/zinc/60/52/80/333605280.db2.gz ZBPDNNHYHDCHIQ-LLVKDONJSA-N 0 3 306.387 3.620 20 5 DHBDHN CO[C@H]1c2ccccc2C[C@H]1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411894967 333713137 /nfs/dbraw/zinc/71/31/37/333713137.db2.gz UCVNPNQWTFPLAG-XZOAIXRZSA-N 0 3 312.369 3.558 20 5 DHBDHN Cc1ccc([C@@H](C)NCC(C)(C)OCC2CC2)cc1[N+](=O)[O-] ZINC000414241486 333918707 /nfs/dbraw/zinc/91/87/07/333918707.db2.gz LLZWGJURJHXQJO-CYBMUJFWSA-N 0 3 306.406 3.759 20 5 DHBDHN CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414343332 333942699 /nfs/dbraw/zinc/94/26/99/333942699.db2.gz JPXCVEFLUSOHHB-MRVWCRGKSA-N 0 3 316.357 3.793 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414539256 334012944 /nfs/dbraw/zinc/01/29/44/334012944.db2.gz MXDAWEBUQGBBNT-KRWDZBQOSA-N 0 3 318.417 3.540 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cnc(C)s1 ZINC000344832653 335278901 /nfs/dbraw/zinc/27/89/01/335278901.db2.gz SMYRXOKSFPUBTH-WDZFZDKYSA-N 0 3 303.387 3.553 20 5 DHBDHN CC(C)[C@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687465 338482703 /nfs/dbraw/zinc/48/27/03/338482703.db2.gz VDGYSJIMJFMHFN-ZIAGYGMSSA-N 0 3 316.405 3.776 20 5 DHBDHN CC1(C)C[C@@H](N[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025699 336156090 /nfs/dbraw/zinc/15/60/90/336156090.db2.gz RTLNFPZILYPAKO-IAQYHMDHSA-N 0 3 306.431 3.802 20 5 DHBDHN CC1(C)C[C@H](N[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025693 336156098 /nfs/dbraw/zinc/15/60/98/336156098.db2.gz RTLNFPZILYPAKO-ABAIWWIYSA-N 0 3 306.431 3.802 20 5 DHBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000332195707 336162389 /nfs/dbraw/zinc/16/23/89/336162389.db2.gz RLIUZXGYMITEKB-UHFFFAOYSA-N 0 3 302.378 3.626 20 5 DHBDHN CCS[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426755 336217911 /nfs/dbraw/zinc/21/79/11/336217911.db2.gz XUDCUIJUVGKGOA-AWEZNQCLSA-N 0 3 324.446 3.711 20 5 DHBDHN O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000301056060 336287574 /nfs/dbraw/zinc/28/75/74/336287574.db2.gz JUSLQTMTWMCLJX-OAHLLOKOSA-N 0 3 317.414 3.905 20 5 DHBDHN CN(C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000301800845 336330929 /nfs/dbraw/zinc/33/09/29/336330929.db2.gz SZKGUUQHJCIDKH-OAHLLOKOSA-N 0 3 321.327 3.588 20 5 DHBDHN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000301842160 336333635 /nfs/dbraw/zinc/33/36/35/336333635.db2.gz QBKOTKDIDHLHIL-IAGOWNOFSA-N 0 3 315.348 3.591 20 5 DHBDHN CC[C@@H](NCC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353947197 336450662 /nfs/dbraw/zinc/45/06/62/336450662.db2.gz LFAANEYTKNTPJB-GFCCVEGCSA-N 0 3 302.296 3.978 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000354715571 336479584 /nfs/dbraw/zinc/47/95/84/336479584.db2.gz WZSYIRMPSIAPOT-OLZOCXBDSA-N 0 3 316.357 3.512 20 5 DHBDHN CC[C@@H](N[C@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043542 336654912 /nfs/dbraw/zinc/65/49/12/336654912.db2.gz DMFDNPAGQPMERY-GOEBONIOSA-N 0 3 308.422 3.823 20 5 DHBDHN O=[N+]([O-])c1ccccc1CNCCc1c[nH]c2ccc(F)cc12 ZINC000116922985 336849815 /nfs/dbraw/zinc/84/98/15/336849815.db2.gz PBDLYXABWHYTPJ-UHFFFAOYSA-N 0 3 313.332 3.548 20 5 DHBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000374329245 336987421 /nfs/dbraw/zinc/98/74/21/336987421.db2.gz JWKHEUDROCENQI-WMLDXEAASA-N 0 3 311.385 3.806 20 5 DHBDHN C[C@H](NCC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000375635264 337015317 /nfs/dbraw/zinc/01/53/17/337015317.db2.gz BOLPBWKOAWJCMX-AWEZNQCLSA-N 0 3 311.385 3.762 20 5 DHBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583704105 337092339 /nfs/dbraw/zinc/09/23/39/337092339.db2.gz VEIMFVNKCNNICQ-BFYDXBDKSA-N 0 3 304.390 3.519 20 5 DHBDHN Cc1nc(C(C)(C)NCCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000173960917 337138003 /nfs/dbraw/zinc/13/80/03/337138003.db2.gz RZFRJTXYPVSMKU-UHFFFAOYSA-N 0 3 319.430 3.736 20 5 DHBDHN CCOc1ccc([C@H](C)NCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259668 337175529 /nfs/dbraw/zinc/17/55/29/337175529.db2.gz PMBFRDIAGUKFAJ-DZGCQCFKSA-N 0 3 322.405 3.603 20 5 DHBDHN Cc1ccc([C@H](C)NC[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303899 337255772 /nfs/dbraw/zinc/25/57/72/337255772.db2.gz NCPGXAHHPSYLRK-XJKSGUPXSA-N 0 3 312.369 3.558 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430093858 338096065 /nfs/dbraw/zinc/09/60/65/338096065.db2.gz HKXKUCQKYQXLEY-KIIBNJGVSA-N 0 3 322.355 3.975 20 5 DHBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(F)(F)F)C(C)C ZINC000430196148 338100772 /nfs/dbraw/zinc/10/07/72/338100772.db2.gz QEBUQCWTOXOPHN-LBPRGKRZSA-N 0 3 320.311 3.670 20 5 DHBDHN CC[C@H]1CCN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000430196980 338100976 /nfs/dbraw/zinc/10/09/76/338100976.db2.gz SZCVDTZOYZEABT-LBPRGKRZSA-N 0 3 316.357 3.848 20 5 DHBDHN CCS[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430235662 338102561 /nfs/dbraw/zinc/10/25/61/338102561.db2.gz FGXGBPKUYGUUCU-HNNXBMFYSA-N 0 3 324.446 3.711 20 5 DHBDHN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000433215736 338186214 /nfs/dbraw/zinc/18/62/14/338186214.db2.gz RBXSMABSQUOCKV-AFAVFJNCSA-N 0 3 318.417 3.864 20 5 DHBDHN CC1(C)C[C@H](NCCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433287797 338189483 /nfs/dbraw/zinc/18/94/83/338189483.db2.gz LJCAHNFXDMAJIQ-LBPRGKRZSA-N 0 3 302.296 3.859 20 5 DHBDHN C[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000437581734 338314520 /nfs/dbraw/zinc/31/45/20/338314520.db2.gz WZKZFASREAMHKO-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@@H](c3cccs3)C2)cs1 ZINC000449620697 338642012 /nfs/dbraw/zinc/64/20/12/338642012.db2.gz FSESCMODPPFECS-VXGBXAGGSA-N 0 3 324.427 3.728 20 5 DHBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cnc(C2CC2)o1 ZINC000449706646 338647324 /nfs/dbraw/zinc/64/73/24/338647324.db2.gz NZUMLTTXLRRIKT-LBPRGKRZSA-N 0 3 315.373 3.571 20 5 DHBDHN COc1cc(CN[C@H](C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000452083490 338753101 /nfs/dbraw/zinc/75/31/01/338753101.db2.gz JWWXEXRAUJCCFU-CYBMUJFWSA-N 0 3 300.358 3.763 20 5 DHBDHN CCOc1ccc([C@@H](C)NCCOC(C)(C)CC)cc1[N+](=O)[O-] ZINC000453405632 338839259 /nfs/dbraw/zinc/83/92/59/338839259.db2.gz JPDAHKHDFTZOAS-CYBMUJFWSA-N 0 3 324.421 3.849 20 5 DHBDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000459431715 339028807 /nfs/dbraw/zinc/02/88/07/339028807.db2.gz SVQPGTOESVPSIK-QXSJWSMHSA-N 0 3 324.446 3.545 20 5 DHBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459785318 339048503 /nfs/dbraw/zinc/04/85/03/339048503.db2.gz ARKWXSHHWSNXTI-QWHCGFSZSA-N 0 3 322.405 3.565 20 5 DHBDHN Cc1ccc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067268 339132817 /nfs/dbraw/zinc/13/28/17/339132817.db2.gz BROJWLGTBCLVGV-CVEARBPZSA-N 0 3 306.406 3.585 20 5 DHBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000466472918 339206551 /nfs/dbraw/zinc/20/65/51/339206551.db2.gz IRAHKCHMAWPKCA-HZPDHXFCSA-N 0 3 324.808 3.543 20 5 DHBDHN Cc1cncc([C@@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000467638619 339243889 /nfs/dbraw/zinc/24/38/89/339243889.db2.gz SJERXNODUAHGDN-GFCCVEGCSA-N 0 3 319.792 3.845 20 5 DHBDHN O=[N+]([O-])c1ccccc1CCNCc1cc(F)cc(Cl)c1 ZINC000468009520 339251147 /nfs/dbraw/zinc/25/11/47/339251147.db2.gz MVLJKFJQSLUSIA-UHFFFAOYSA-N 0 3 308.740 3.720 20 5 DHBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCc1nccs1 ZINC000470175705 339312814 /nfs/dbraw/zinc/31/28/14/339312814.db2.gz RRCADOXNYDLJDG-JLHYYAGUSA-N 0 3 317.414 3.629 20 5 DHBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCc1ccncc1 ZINC000470204148 339314124 /nfs/dbraw/zinc/31/41/24/339314124.db2.gz UDYRKUAPPSVMNP-QINSGFPZSA-N 0 3 311.385 3.568 20 5 DHBDHN CCOC[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000474013810 339397064 /nfs/dbraw/zinc/39/70/64/339397064.db2.gz BBCMYNGCOGGLML-INIZCTEOSA-N 0 3 308.422 3.869 20 5 DHBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(C(F)F)CC3)o2)cc1 ZINC000475210646 339441747 /nfs/dbraw/zinc/44/17/47/339441747.db2.gz JJTZLECXWCVAMR-UHFFFAOYSA-N 0 3 322.311 3.990 20 5 DHBDHN CCC(CC)[C@H](CCNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000478249956 339511535 /nfs/dbraw/zinc/51/15/35/339511535.db2.gz HNELCEHFCSNBQK-INIZCTEOSA-N 0 3 312.385 3.665 20 5 DHBDHN CCC(=O)c1ccc(N[C@@H](C)C(C)(C)CN(C)C)c([N+](=O)[O-])c1 ZINC000480009336 339555292 /nfs/dbraw/zinc/55/52/92/339555292.db2.gz HUFYFPJOHZEZND-LBPRGKRZSA-N 0 3 321.421 3.576 20 5 DHBDHN C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000494974799 339968169 /nfs/dbraw/zinc/96/81/69/339968169.db2.gz CZYXPOGAODKLGQ-JRKPZEMJSA-N 0 3 302.296 3.748 20 5 DHBDHN COc1cc(CN(C)C2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000506146556 340186836 /nfs/dbraw/zinc/18/68/36/340186836.db2.gz DPTYCWUWUPMLQP-UHFFFAOYSA-N 0 3 322.405 3.767 20 5 DHBDHN CCN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000506354518 340193013 /nfs/dbraw/zinc/19/30/13/340193013.db2.gz BSMWWIZVVCGEFK-UHFFFAOYSA-N 0 3 304.321 3.978 20 5 DHBDHN C[C@H](N[C@@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515911 340271958 /nfs/dbraw/zinc/27/19/58/340271958.db2.gz LZLFLIIHQUBPQH-DZGCQCFKSA-N 0 3 312.369 3.639 20 5 DHBDHN C[C@H](CCc1ccccc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509913317 340282621 /nfs/dbraw/zinc/28/26/21/340282621.db2.gz PBGBMHHYBZQGOU-CYBMUJFWSA-N 0 3 324.384 3.582 20 5 DHBDHN CN(CCCOc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511058898 340319564 /nfs/dbraw/zinc/31/95/64/340319564.db2.gz IUCMPDDMMBEADP-UHFFFAOYSA-N 0 3 314.385 3.538 20 5 DHBDHN C[C@H](c1ccccc1F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511059421 340319711 /nfs/dbraw/zinc/31/97/11/340319711.db2.gz LQLPGXYVRVOTNX-CYBMUJFWSA-N 0 3 302.349 3.969 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](COC(F)F)C1 ZINC000512844222 340380586 /nfs/dbraw/zinc/38/05/86/340380586.db2.gz MCBXRHZWJBREKE-NEPJUHHUSA-N 0 3 314.332 3.525 20 5 DHBDHN C[C@H]1CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045950 340390539 /nfs/dbraw/zinc/39/05/39/340390539.db2.gz IFVNCBKBDKHHJZ-HZMBPMFUSA-N 0 3 303.387 3.606 20 5 DHBDHN COc1ccc(-c2ccc(CN[C@@H]3CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056690 340391245 /nfs/dbraw/zinc/39/12/45/340391245.db2.gz KHGXSHLCMIQQMA-IAQYHMDHSA-N 0 3 316.357 3.752 20 5 DHBDHN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513208973 340397323 /nfs/dbraw/zinc/39/73/23/340397323.db2.gz CVDBZLHVGUIMMX-RYUDHWBXSA-N 0 3 310.357 3.883 20 5 DHBDHN Cc1ccc(C(=O)CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000187419531 340519909 /nfs/dbraw/zinc/51/99/09/340519909.db2.gz VIBYJKNTBATKDQ-AWEZNQCLSA-N 0 3 312.369 3.827 20 5 DHBDHN C[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000537982087 340795416 /nfs/dbraw/zinc/79/54/16/340795416.db2.gz JWVHQWXZVRPXNH-LBPRGKRZSA-N 0 3 305.403 3.725 20 5 DHBDHN Cc1c([C@H](C)NCCSCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000539061467 340869304 /nfs/dbraw/zinc/86/93/04/340869304.db2.gz VSBRKGOVOXRZTD-JTQLQIEISA-N 0 3 322.352 3.849 20 5 DHBDHN CC1(NCc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2C1 ZINC000542485419 341009602 /nfs/dbraw/zinc/00/96/02/341009602.db2.gz PAAASFCRTLXCQE-UHFFFAOYSA-N 0 3 316.788 3.895 20 5 DHBDHN CC1(C)C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)O1 ZINC000542485064 341009680 /nfs/dbraw/zinc/00/96/80/341009680.db2.gz HOFSBPZENCDOBT-CYBMUJFWSA-N 0 3 312.797 3.684 20 5 DHBDHN C[C@H](NCCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000542488848 341010005 /nfs/dbraw/zinc/01/00/05/341010005.db2.gz PWIUKIMFKOSYPZ-ZDUSSCGKSA-N 0 3 317.364 3.887 20 5 DHBDHN C[C@@H](NCCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000542488847 341010079 /nfs/dbraw/zinc/01/00/79/341010079.db2.gz PWIUKIMFKOSYPZ-CYBMUJFWSA-N 0 3 317.364 3.887 20 5 DHBDHN CC1(C)CCC(CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000542549344 341013021 /nfs/dbraw/zinc/01/30/21/341013021.db2.gz HITAGFFLZXSBMQ-UHFFFAOYSA-N 0 3 303.406 3.564 20 5 DHBDHN CCc1cnc(CCN[C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000130284156 341013098 /nfs/dbraw/zinc/01/30/98/341013098.db2.gz HCTIUTSNZITURB-GFCCVEGCSA-N 0 3 319.430 3.815 20 5 DHBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCSCC3)o2)c1 ZINC000543621087 341051446 /nfs/dbraw/zinc/05/14/46/341051446.db2.gz FAUMVGXXAIADAG-UHFFFAOYSA-N 0 3 318.398 3.794 20 5 DHBDHN CO[C@@]1(C)C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000544352913 341077755 /nfs/dbraw/zinc/07/77/55/341077755.db2.gz DTEKIVJMSLZXPG-ZFWWWQNUSA-N 0 3 312.797 3.541 20 5 DHBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCOC1 ZINC000132042412 341115473 /nfs/dbraw/zinc/11/54/73/341115473.db2.gz HUSSTTLGHIQWPS-AWEZNQCLSA-N 0 3 318.398 3.544 20 5 DHBDHN CC1(c2ccccc2)CC(NCc2csc([N+](=O)[O-])c2)C1 ZINC000545285981 341119425 /nfs/dbraw/zinc/11/94/25/341119425.db2.gz OBUCVGMFERBKFY-UHFFFAOYSA-N 0 3 302.399 3.866 20 5 DHBDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508509 341264980 /nfs/dbraw/zinc/26/49/80/341264980.db2.gz JIPODKRWNVFSGX-BFQNTYOBSA-N 0 3 314.389 3.624 20 5 DHBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC000549343347 341291582 /nfs/dbraw/zinc/29/15/82/341291582.db2.gz GXXACEXAVSCKIX-UHFFFAOYSA-N 0 3 302.296 3.988 20 5 DHBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C2CCOCC2)CC1 ZINC000567651804 341624578 /nfs/dbraw/zinc/62/45/78/341624578.db2.gz GVYINRXUUHXGSV-UHFFFAOYSA-N 0 3 318.417 3.542 20 5 DHBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)OCC1CC1 ZINC000573339431 341725628 /nfs/dbraw/zinc/72/56/28/341725628.db2.gz VDQSISRYRVEBTD-ZDUSSCGKSA-N 0 3 306.406 3.759 20 5 DHBDHN CCOCc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119555885 520213865 /nfs/dbraw/zinc/21/38/65/520213865.db2.gz BXSJWUREXQSJRU-AWEZNQCLSA-N 0 3 314.385 3.982 20 5 DHBDHN CC[C@H](NC[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157680165 522614939 /nfs/dbraw/zinc/61/49/39/522614939.db2.gz WODISNFGBDWEFN-DLBZAZTESA-N 0 3 318.348 3.508 20 5 DHBDHN C[C@H](NC[C@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846573 525408146 /nfs/dbraw/zinc/40/81/46/525408146.db2.gz IBAMTLMAERKERP-ZBEGNZNMSA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000178564553 525496084 /nfs/dbraw/zinc/49/60/84/525496084.db2.gz HWTQNKHXJVZTAY-BZNIZROVSA-N 0 3 320.776 3.632 20 5 DHBDHN C[C@@H](N[C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431661 525644717 /nfs/dbraw/zinc/64/47/17/525644717.db2.gz MQKXFGIEGXTMGB-GDBMZVCRSA-N 0 3 311.385 3.524 20 5 DHBDHN Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130674051 525781934 /nfs/dbraw/zinc/78/19/34/525781934.db2.gz LMXFWERZTFVSMV-KDOFPFPSSA-N 0 3 314.385 3.596 20 5 DHBDHN Cc1c([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191266941 525893626 /nfs/dbraw/zinc/89/36/26/525893626.db2.gz CLNGDXYHCVWZAL-CYBMUJFWSA-N 0 3 316.405 3.574 20 5 DHBDHN Cc1c([C@H](C)NC[C@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998704 525920425 /nfs/dbraw/zinc/92/04/25/525920425.db2.gz GXCGCBYXBJBMAY-LRDDRELGSA-N 0 3 320.414 3.523 20 5 DHBDHN CC(C)(NCC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000298091294 535248405 /nfs/dbraw/zinc/24/84/05/535248405.db2.gz IFLANRYOIYXYOS-QGZVFWFLSA-N 0 3 314.385 3.543 20 5 DHBDHN